smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001340052323 936396567 /nfs/dbraw/zinc/39/65/67/936396567.db2.gz PREVLISHKVLEBK-CYBMUJFWSA-N 1 0 279.384 3.436 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC001458129012 937451837 /nfs/dbraw/zinc/45/18/37/937451837.db2.gz VBBBHCWXIFNTQS-WDEREUQCSA-N 1 0 283.397 3.189 20 5 CGBDRO CC1CC([NH2+]Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000162225542 931999057 /nfs/dbraw/zinc/99/90/57/931999057.db2.gz OYRJXSIEUDBWOQ-UHFFFAOYSA-N 1 0 299.168 3.245 20 5 CGBDRO CC[C@@H](OCCC[N+](C)(C)C)c1ccccc1F ZINC001224621522 932037878 /nfs/dbraw/zinc/03/78/78/932037878.db2.gz WTYMZPLMTGVJDI-OAHLLOKOSA-N 1 0 254.369 3.390 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1OC1CC[NH+](C(C)C)CC1 ZINC001228916648 932051722 /nfs/dbraw/zinc/05/17/22/932051722.db2.gz WNJSHLUDEUOGRS-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229375891 932142634 /nfs/dbraw/zinc/14/26/34/932142634.db2.gz APXKUCTTXDUKEG-LLVKDONJSA-N 1 0 284.743 3.110 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229375892 932142896 /nfs/dbraw/zinc/14/28/96/932142896.db2.gz APXKUCTTXDUKEG-NSHDSACASA-N 1 0 284.743 3.110 20 5 CGBDRO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1[N+](=O)[O-] ZINC001229465854 932156215 /nfs/dbraw/zinc/15/62/15/932156215.db2.gz GHDYBQMQFTUVGJ-NHAGDIPZSA-N 1 0 290.363 3.216 20 5 CGBDRO Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229471182 932157459 /nfs/dbraw/zinc/15/74/59/932157459.db2.gz XPYSXFJAWAJOCK-CYBMUJFWSA-N 1 0 278.352 3.073 20 5 CGBDRO Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230471465 932576228 /nfs/dbraw/zinc/57/62/28/932576228.db2.gz HJDYKKXZBFMWEK-ZDUSSCGKSA-N 1 0 278.352 3.073 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230938587 932645310 /nfs/dbraw/zinc/64/53/10/932645310.db2.gz JAIWKNYRNIURDQ-KRWDZBQOSA-N 1 0 298.342 3.345 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1nccc2ccc(Cl)cc21 ZINC001230979949 932653109 /nfs/dbraw/zinc/65/31/09/932653109.db2.gz XBZWWMWTBTUFQI-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CC[NH+](C2CC2)CC1 ZINC001231058533 932668509 /nfs/dbraw/zinc/66/85/09/932668509.db2.gz BCQRWTLPEFLSFI-UHFFFAOYSA-N 1 0 290.363 3.217 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001231061946 932669924 /nfs/dbraw/zinc/66/99/24/932669924.db2.gz WLDCBCAOWBWVFB-AWEZNQCLSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001307149250 932769537 /nfs/dbraw/zinc/76/95/37/932769537.db2.gz DEXVMINSWWIYBM-KGLIPLIRSA-N 1 0 277.368 3.044 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001307440910 932953483 /nfs/dbraw/zinc/95/34/83/932953483.db2.gz VOTVFKQBQNIABW-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC001307633656 932978901 /nfs/dbraw/zinc/97/89/01/932978901.db2.gz IYIRBTMQFSFWMD-FVQBIDKESA-N 1 0 290.363 3.062 20 5 CGBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC001307854336 933009851 /nfs/dbraw/zinc/00/98/51/933009851.db2.gz YZIJPNXXPGYVAD-HUUCEWRRSA-N 1 0 292.379 3.388 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001308298796 933091232 /nfs/dbraw/zinc/09/12/32/933091232.db2.gz YKYJOBQOGHEUHW-HUUCEWRRSA-N 1 0 292.379 3.115 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC001308380586 933103861 /nfs/dbraw/zinc/10/38/61/933103861.db2.gz JTKJPHTTWOQQCC-ZDUSSCGKSA-N 1 0 292.379 3.259 20 5 CGBDRO CCCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319846804 933944785 /nfs/dbraw/zinc/94/47/85/933944785.db2.gz XKXFHSNDLJSQQM-MRXNPFEDSA-N 1 0 292.379 3.140 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC001473536675 937810525 /nfs/dbraw/zinc/81/05/25/937810525.db2.gz FZXSDVMIJHOANE-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO CCCCN(C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001473994101 937834633 /nfs/dbraw/zinc/83/46/33/937834633.db2.gz SNLZOHNRIWVZNU-UHFFFAOYSA-N 1 0 293.411 3.033 20 5 CGBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC001559711827 938233259 /nfs/dbraw/zinc/23/32/59/938233259.db2.gz UOYYKHKMOCMQDP-CYBMUJFWSA-N 1 0 286.331 3.406 20 5 CGBDRO CC[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755830 938234543 /nfs/dbraw/zinc/23/45/43/938234543.db2.gz KJKAYYYSDODMAB-TZMCWYRMSA-N 1 0 277.368 3.390 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)c1 ZINC001560340746 938253965 /nfs/dbraw/zinc/25/39/65/938253965.db2.gz KPXKARMVHJHCOD-NVXWUHKLSA-N 1 0 282.343 3.316 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000337468922 214101168 /nfs/dbraw/zinc/10/11/68/214101168.db2.gz MUHBOZVACIITJI-ZFWWWQNUSA-N 1 0 292.379 3.198 20 5 CGBDRO CCN(CCC[NH+]1CCCC1)c1ccc(F)cc1[N+](=O)[O-] ZINC000350724658 219052321 /nfs/dbraw/zinc/05/23/21/219052321.db2.gz NBUBCVYXPCDWJA-UHFFFAOYSA-N 1 0 295.358 3.046 20 5 CGBDRO CC[NH+](CC)CCCSc1cccc([N+](=O)[O-])c1 ZINC000337920899 214314537 /nfs/dbraw/zinc/31/45/37/214314537.db2.gz ZVUYFRXGAOGBSW-UHFFFAOYSA-N 1 0 268.382 3.419 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000337952167 214329630 /nfs/dbraw/zinc/32/96/30/214329630.db2.gz SNFYWSNFBUVDAH-CQSZACIVSA-N 1 0 298.358 3.275 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337987049 214345586 /nfs/dbraw/zinc/34/55/86/214345586.db2.gz GHCGSTBTJLLELQ-GJZGRUSLSA-N 1 0 290.363 3.272 20 5 CGBDRO CC[C@H]([NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423461686 529453867 /nfs/dbraw/zinc/45/38/67/529453867.db2.gz KDPLFJHMJUNCJX-DOTOQJQBSA-N 1 0 299.374 3.011 20 5 CGBDRO CC[C@@H]([NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423461696 529569481 /nfs/dbraw/zinc/56/94/81/529569481.db2.gz KDPLFJHMJUNCJX-WBVHZDCISA-N 1 0 299.374 3.011 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1C[C@@H]1C ZINC000414080968 529624321 /nfs/dbraw/zinc/62/43/21/529624321.db2.gz UBZFRGGXNIAHBK-BPNCWPANSA-N 1 0 278.352 3.128 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358145291 529689625 /nfs/dbraw/zinc/68/96/25/529689625.db2.gz ABSRDJGILKVYFU-STQMWFEESA-N 1 0 280.368 3.105 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358145285 529690126 /nfs/dbraw/zinc/69/01/26/529690126.db2.gz ABSRDJGILKVYFU-OLZOCXBDSA-N 1 0 280.368 3.105 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000358163911 529690159 /nfs/dbraw/zinc/69/01/59/529690159.db2.gz HWLWMSAGVOVPSH-GJZGRUSLSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593183522 347048932 /nfs/dbraw/zinc/04/89/32/347048932.db2.gz ZZOQOAXEARACMC-RYUDHWBXSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593317145 347062209 /nfs/dbraw/zinc/06/22/09/347062209.db2.gz RDZKSGXCKQTGQL-HNNXBMFYSA-N 1 0 297.358 3.030 20 5 CGBDRO C[N@@H+]1CCC[C@H](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000413443137 530060847 /nfs/dbraw/zinc/06/08/47/530060847.db2.gz RGBADKVJJSNVQM-SNVBAGLBSA-N 1 0 299.321 3.017 20 5 CGBDRO C[NH+](C)C1(CNc2ncccc2[N+](=O)[O-])CCCCCC1 ZINC000021791067 344893161 /nfs/dbraw/zinc/89/31/61/344893161.db2.gz DLVUCGSJMZTMJF-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO C[C@H]1CCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000038079430 344954970 /nfs/dbraw/zinc/95/49/70/344954970.db2.gz ISFFPFGYKPBKAC-QWHCGFSZSA-N 1 0 278.352 3.142 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1 ZINC000037565687 344951224 /nfs/dbraw/zinc/95/12/24/344951224.db2.gz RXADURQUHAHSIX-AWEZNQCLSA-N 1 0 268.316 3.024 20 5 CGBDRO CCCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000055897414 345157590 /nfs/dbraw/zinc/15/75/90/345157590.db2.gz MMDNMVJZXYQEHK-UHFFFAOYSA-N 1 0 266.341 3.096 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000063738959 345252831 /nfs/dbraw/zinc/25/28/31/345252831.db2.gz ZPQFTOVVXCECRQ-GFCCVEGCSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059403270 345207171 /nfs/dbraw/zinc/20/71/71/345207171.db2.gz KNRIRXJAFYIFQX-ZDUSSCGKSA-N 1 0 262.353 3.259 20 5 CGBDRO CC(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000060857081 345223272 /nfs/dbraw/zinc/22/32/72/345223272.db2.gz ZURIASYAFJKBPJ-UHFFFAOYSA-N 1 0 280.368 3.340 20 5 CGBDRO CC[NH+]1CCC(CCNc2ccccc2[N+](=O)[O-])CC1 ZINC000078401526 345606624 /nfs/dbraw/zinc/60/66/24/345606624.db2.gz QJJCPKKUATYXBU-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090811320 345795496 /nfs/dbraw/zinc/79/54/96/345795496.db2.gz TZJIDALDPINAEM-WFASDCNBSA-N 1 0 294.395 3.289 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000090910126 345796937 /nfs/dbraw/zinc/79/69/37/345796937.db2.gz BAFRKURTVZLHDX-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH2+]C1CCCCC1 ZINC000092605955 345846698 /nfs/dbraw/zinc/84/66/98/345846698.db2.gz VLFIZRUFFORZMI-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000114474313 345964649 /nfs/dbraw/zinc/96/46/49/345964649.db2.gz OCLCUBSHGZISCK-SECBINFHSA-N 1 0 254.305 3.258 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177538547 232369803 /nfs/dbraw/zinc/36/98/03/232369803.db2.gz RCXRPVUPTCJMGG-RYUDHWBXSA-N 1 0 278.327 3.356 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC000154246391 346148358 /nfs/dbraw/zinc/14/83/58/346148358.db2.gz BJTPJLRLTTULFW-NSHDSACASA-N 1 0 276.336 3.363 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000593603287 347093789 /nfs/dbraw/zinc/09/37/89/347093789.db2.gz KSFPHVOFFWAPES-CQSZACIVSA-N 1 0 294.395 3.178 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000317659641 346487102 /nfs/dbraw/zinc/48/71/02/346487102.db2.gz CYHIFZUQEQNYRV-MRXNPFEDSA-N 1 0 297.358 3.200 20 5 CGBDRO CC(C)[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000324295716 346490872 /nfs/dbraw/zinc/49/08/72/346490872.db2.gz SSJPHMBFHWUQDK-LBPRGKRZSA-N 1 0 254.355 3.181 20 5 CGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593674096 347102770 /nfs/dbraw/zinc/10/27/70/347102770.db2.gz NODKKGUXFMUTRD-SBJJXXPASA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H](F)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000351757487 219196813 /nfs/dbraw/zinc/19/68/13/219196813.db2.gz NMTAEAXBTAMSPV-LLVKDONJSA-N 1 0 266.316 3.307 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCC2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000593718232 347107697 /nfs/dbraw/zinc/10/76/97/347107697.db2.gz BXFSEKHUOSZZDO-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593717439 347107850 /nfs/dbraw/zinc/10/78/50/347107850.db2.gz HGDNEZMAZJWGRC-NEPJUHHUSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000594710833 347212095 /nfs/dbraw/zinc/21/20/95/347212095.db2.gz MNDIADLAHDYAKP-CHWSQXEVSA-N 1 0 285.347 3.444 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](OC(C)(C)C)C1 ZINC000594518306 347187360 /nfs/dbraw/zinc/18/73/60/347187360.db2.gz OMBGVZLCXQGTTN-CTYIDZIISA-N 1 0 292.379 3.339 20 5 CGBDRO COC1CC(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594723683 347213436 /nfs/dbraw/zinc/21/34/36/347213436.db2.gz NFDGBEAPLFYCDH-BZUNDVKYSA-N 1 0 278.352 3.061 20 5 CGBDRO CSCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000594962217 347242394 /nfs/dbraw/zinc/24/23/94/347242394.db2.gz CWZCAXABUWDMCC-UHFFFAOYSA-N 1 0 280.393 3.218 20 5 CGBDRO CC[C@@H](C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594967270 347244393 /nfs/dbraw/zinc/24/43/93/347244393.db2.gz KAWPRALOWBQSPN-LLVKDONJSA-N 1 0 266.341 3.129 20 5 CGBDRO CC[C@@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594966316 347244817 /nfs/dbraw/zinc/24/48/17/347244817.db2.gz GBRXZDCXFCCLPC-LLVKDONJSA-N 1 0 296.367 3.138 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000594969139 347245319 /nfs/dbraw/zinc/24/53/19/347245319.db2.gz MSYVQXGEEVDPIR-MCZNXWCOSA-N 1 0 290.363 3.155 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC(C)(C)C1 ZINC000595114707 347284974 /nfs/dbraw/zinc/28/49/74/347284974.db2.gz WELVBVLSSHNBBJ-JTQLQIEISA-N 1 0 278.352 3.443 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595109262 347285115 /nfs/dbraw/zinc/28/51/15/347285115.db2.gz WAEXSGLBQZPNGG-TZMCWYRMSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595029706 347262415 /nfs/dbraw/zinc/26/24/15/347262415.db2.gz XRGVOEUJJULQDZ-JSGCOSHPSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000595075369 347278163 /nfs/dbraw/zinc/27/81/63/347278163.db2.gz AHMCPVOQOBCYQB-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000595450603 347305129 /nfs/dbraw/zinc/30/51/29/347305129.db2.gz VAHSHNZDJOMXJO-ZWNOBZJWSA-N 1 0 264.300 3.108 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454126 347305767 /nfs/dbraw/zinc/30/57/67/347305767.db2.gz JEKKQQADRASICV-BXKDBHETSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1cc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596089001 347381698 /nfs/dbraw/zinc/38/16/98/347381698.db2.gz VDUPZLULORJCIH-UHFFFAOYSA-N 1 0 295.408 3.251 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596570412 347481021 /nfs/dbraw/zinc/48/10/21/347481021.db2.gz KLGHVFSDYAPRFW-GFCCVEGCSA-N 1 0 295.408 3.190 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1CC=CC1 ZINC000598992024 347704232 /nfs/dbraw/zinc/70/42/32/347704232.db2.gz JNAJVFLDWFJSPN-WEVVVXLNSA-N 1 0 258.321 3.164 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062305 347712669 /nfs/dbraw/zinc/71/26/69/347712669.db2.gz URFJJEYROQYYLO-DOMZBBRYSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599069845 347714097 /nfs/dbraw/zinc/71/40/97/347714097.db2.gz WBYIXHLQXGILHH-DZGCQCFKSA-N 1 0 294.395 3.351 20 5 CGBDRO C/C=C\C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000599080523 347715241 /nfs/dbraw/zinc/71/52/41/347715241.db2.gz HBWOUBGTKWREJT-VLWUPBBWSA-N 1 0 264.325 3.220 20 5 CGBDRO CSC1(CNc2ccc3cnccc3c2[N+](=O)[O-])CC1 ZINC000599079814 347715342 /nfs/dbraw/zinc/71/53/42/347715342.db2.gz PLMGZXHYYLZLBN-UHFFFAOYSA-N 1 0 289.360 3.451 20 5 CGBDRO C/C=C\C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599084907 347715890 /nfs/dbraw/zinc/71/58/90/347715890.db2.gz UOZHTMDYKQWLDP-ZOBWKPMTSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@H]1CC(F)(F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000599624202 347759109 /nfs/dbraw/zinc/75/91/09/347759109.db2.gz UADIMCQBKDMIDP-JTQLQIEISA-N 1 0 270.279 3.214 20 5 CGBDRO Cc1ccc(-c2ccc([C@@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000600792459 347837488 /nfs/dbraw/zinc/83/74/88/347837488.db2.gz YGSKUARDPJJRJG-KRWDZBQOSA-N 1 0 298.342 3.231 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCCc3ncccc32)cccc1[N+](=O)[O-] ZINC000601277407 347888116 /nfs/dbraw/zinc/88/81/16/347888116.db2.gz DGQHOESFQHRLQX-INIZCTEOSA-N 1 0 297.358 3.465 20 5 CGBDRO CC[C@@](C)(C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC000602610132 347992627 /nfs/dbraw/zinc/99/26/27/347992627.db2.gz GEQIDCIGALXXIQ-HNNXBMFYSA-N 1 0 280.368 3.235 20 5 CGBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)C ZINC000602705205 348013317 /nfs/dbraw/zinc/01/33/17/348013317.db2.gz MHNXTQPHSVFTER-UHFFFAOYSA-N 1 0 277.324 3.356 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602548660 347980128 /nfs/dbraw/zinc/98/01/28/347980128.db2.gz OIAGJSWLTBSJOS-XYPYZODXSA-N 1 0 289.335 3.404 20 5 CGBDRO CSC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000602921237 348044290 /nfs/dbraw/zinc/04/42/90/348044290.db2.gz VLYFMRKGMJTLEM-NSHDSACASA-N 1 0 280.393 3.483 20 5 CGBDRO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000604432689 348120271 /nfs/dbraw/zinc/12/02/71/348120271.db2.gz QHAWCQPBOCGUHF-WDEREUQCSA-N 1 0 283.397 3.331 20 5 CGBDRO CC(C)CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000603683106 348093085 /nfs/dbraw/zinc/09/30/85/348093085.db2.gz FAGZLMYOYJYDMM-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848798 348098880 /nfs/dbraw/zinc/09/88/80/348098880.db2.gz OONRHMACOLQAJH-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000609133726 348336905 /nfs/dbraw/zinc/33/69/05/348336905.db2.gz ZCEBVOXFPIHNIG-INIZCTEOSA-N 1 0 290.363 3.238 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609157275 348338353 /nfs/dbraw/zinc/33/83/53/348338353.db2.gz AHBJOEXXMUQYEA-CHWSQXEVSA-N 1 0 262.353 3.400 20 5 CGBDRO CC(C)[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609767129 348352203 /nfs/dbraw/zinc/35/22/03/348352203.db2.gz PCUJLNWDTPRZGD-MRXNPFEDSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000339457961 215184360 /nfs/dbraw/zinc/18/43/60/215184360.db2.gz JJRGLOXHXKFZLP-RNZFLTOJSA-N 1 0 299.330 3.059 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccco3)C2)cs1 ZINC000609539825 348346487 /nfs/dbraw/zinc/34/64/87/348346487.db2.gz DVLORMWBGBMDPS-NSHDSACASA-N 1 0 278.333 3.239 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000609839992 348354670 /nfs/dbraw/zinc/35/46/70/348354670.db2.gz VZRRFXPZUSJTGT-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610832648 348405901 /nfs/dbraw/zinc/40/59/01/348405901.db2.gz WXWZFKVUYGJGBW-KWCYVHTRSA-N 1 0 292.379 3.369 20 5 CGBDRO CCCC[NH+](CCCC)CCn1c(C)ncc1[N+](=O)[O-] ZINC000610657090 348393864 /nfs/dbraw/zinc/39/38/64/348393864.db2.gz LFFRNNGHEFBULO-UHFFFAOYSA-N 1 0 282.388 3.002 20 5 CGBDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611383370 348442732 /nfs/dbraw/zinc/44/27/32/348442732.db2.gz VGDLZDMSJKMGIM-GFCCVEGCSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1ccsc1N1CCC([NH+]2CCCCC2)CC1 ZINC000611411623 348447924 /nfs/dbraw/zinc/44/79/24/348447924.db2.gz FVQDLRSLAUFMMH-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611471155 348454861 /nfs/dbraw/zinc/45/48/61/348454861.db2.gz UCRRGTDMFJBLKY-LBPRGKRZSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000612114151 348495854 /nfs/dbraw/zinc/49/58/54/348495854.db2.gz LXYIZJPYBIRZJT-LLVKDONJSA-N 1 0 283.397 3.333 20 5 CGBDRO CC(C)(CC(F)(F)F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000614822454 348695516 /nfs/dbraw/zinc/69/55/16/348695516.db2.gz NKPWVXOMTSAXFS-UHFFFAOYSA-N 1 0 282.287 3.477 20 5 CGBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000617976692 349032058 /nfs/dbraw/zinc/03/20/58/349032058.db2.gz ZUWYOYJWICILJR-LLVKDONJSA-N 1 0 281.381 3.085 20 5 CGBDRO COC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000618569218 349107795 /nfs/dbraw/zinc/10/77/95/349107795.db2.gz PYWRVAOTEJBLSJ-JKSUJKDBSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C ZINC000619846001 349287726 /nfs/dbraw/zinc/28/77/26/349287726.db2.gz LWRUEMYHIVOSMC-GFCCVEGCSA-N 1 0 294.399 3.110 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CCC1 ZINC000271432274 191134484 /nfs/dbraw/zinc/13/44/84/191134484.db2.gz DZXUATGYDMJZHU-WFASDCNBSA-N 1 0 274.364 3.448 20 5 CGBDRO CC(C)[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495369735 535166474 /nfs/dbraw/zinc/16/64/74/535166474.db2.gz WBBVSOVEMMFRBO-SNVBAGLBSA-N 1 0 270.760 3.425 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000352265363 219386454 /nfs/dbraw/zinc/38/64/54/219386454.db2.gz HZIMHADLVLLNBM-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124283067 187130482 /nfs/dbraw/zinc/13/04/82/187130482.db2.gz MTNPHAMJNONDKC-UKRRQHHQSA-N 1 0 292.379 3.110 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000157976569 188350664 /nfs/dbraw/zinc/35/06/64/188350664.db2.gz DYEJZRJQJXUCHE-CQSZACIVSA-N 1 0 260.337 3.083 20 5 CGBDRO CCSCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922686 188617838 /nfs/dbraw/zinc/61/78/38/188617838.db2.gz UTPQJWWTAMNKEO-NSHDSACASA-N 1 0 268.382 3.389 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000352540113 219498716 /nfs/dbraw/zinc/49/87/16/219498716.db2.gz HFKMKECFIIFNQS-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000414115129 235339286 /nfs/dbraw/zinc/33/92/86/235339286.db2.gz UQUNMSFLBPTRGV-GIPNMCIBSA-N 1 0 282.771 3.425 20 5 CGBDRO C[C@H]([NH3+])CCN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423225125 236000669 /nfs/dbraw/zinc/00/06/69/236000669.db2.gz LHQAIWKNLBPSGM-GUYCJALGSA-N 1 0 299.374 3.011 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426455469 236295525 /nfs/dbraw/zinc/29/55/25/236295525.db2.gz SQZNDHCEJOPCIM-WFASDCNBSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCCCCF)CC2 ZINC000341895764 216141210 /nfs/dbraw/zinc/14/12/10/216141210.db2.gz WUHMILSNXBIPIQ-UHFFFAOYSA-N 1 0 266.316 3.093 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000178477020 189119312 /nfs/dbraw/zinc/11/93/12/189119312.db2.gz NYDXHIDQKFSVFF-LBPRGKRZSA-N 1 0 274.320 3.299 20 5 CGBDRO C[C@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000301414343 201001057 /nfs/dbraw/zinc/00/10/57/201001057.db2.gz LKKXHRTWXKVHFM-WDEREUQCSA-N 1 0 297.786 3.167 20 5 CGBDRO C[C@@H](Nc1cccc(F)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301638092 201109630 /nfs/dbraw/zinc/10/96/30/201109630.db2.gz MDCDSMSNZFAEGE-SNVBAGLBSA-N 1 0 283.347 3.122 20 5 CGBDRO Cc1ccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301651579 201116023 /nfs/dbraw/zinc/11/60/23/201116023.db2.gz SKMOIJJHNSIVJG-LBPRGKRZSA-N 1 0 279.384 3.291 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183492951 189359947 /nfs/dbraw/zinc/35/99/47/189359947.db2.gz CONZAUFTTZJXRY-GFCCVEGCSA-N 1 0 280.368 3.196 20 5 CGBDRO Cc1cncc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000184344293 189383364 /nfs/dbraw/zinc/38/33/64/189383364.db2.gz NALGPSAWPIZGTB-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@H](CNc1ccc(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301815921 201213748 /nfs/dbraw/zinc/21/37/48/201213748.db2.gz IXXDJXIPAQSWRV-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO CC(C)C[C@@H](CNc1sccc1[N+](=O)[O-])[NH+](C)C ZINC000301978568 201284962 /nfs/dbraw/zinc/28/49/62/201284962.db2.gz FCEMYMJXYOLFRI-JTQLQIEISA-N 1 0 271.386 3.045 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302025609 201304643 /nfs/dbraw/zinc/30/46/43/201304643.db2.gz PXLWSYXUZPJNEX-NSHDSACASA-N 1 0 283.397 3.046 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC1CC1 ZINC000449149655 239206609 /nfs/dbraw/zinc/20/66/09/239206609.db2.gz OGCNMINAELVKPD-NWDGAFQWSA-N 1 0 262.353 3.304 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCCF)C1CC1 ZINC000462809430 242364586 /nfs/dbraw/zinc/36/45/86/242364586.db2.gz IVFNFGSWJDFDAG-AWEZNQCLSA-N 1 0 280.343 3.255 20 5 CGBDRO COc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087230 368799409 /nfs/dbraw/zinc/79/94/09/368799409.db2.gz FBDDJSCKEFGVNL-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000036721110 369025858 /nfs/dbraw/zinc/02/58/58/369025858.db2.gz XAOGTAARJYYFEG-JKSUJKDBSA-N 1 0 291.395 3.120 20 5 CGBDRO C[NH+](C)Cc1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000037141110 369068383 /nfs/dbraw/zinc/06/83/83/369068383.db2.gz SNYMDFPAELPWTR-UHFFFAOYSA-N 1 0 285.347 3.269 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000330689477 203119980 /nfs/dbraw/zinc/11/99/80/203119980.db2.gz PKZPVXDFWJWARI-HNNXBMFYSA-N 1 0 296.342 3.029 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775096 369164406 /nfs/dbraw/zinc/16/44/06/369164406.db2.gz VUHZRTILMHFSHS-GOEBONIOSA-N 1 0 294.395 3.433 20 5 CGBDRO COc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000051157403 369446616 /nfs/dbraw/zinc/44/66/16/369446616.db2.gz NTGHIOABTYAMAI-TXEJJXNPSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174635 369497448 /nfs/dbraw/zinc/49/74/48/369497448.db2.gz LYXJRIHBFYOABH-SECBINFHSA-N 1 0 266.366 3.419 20 5 CGBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000058003351 369553571 /nfs/dbraw/zinc/55/35/71/369553571.db2.gz DZYGFQRUEOYUEU-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219191007 376197646 /nfs/dbraw/zinc/19/76/46/376197646.db2.gz NWCNPUQFJSPUFL-ABAIWWIYSA-N 1 0 280.368 3.043 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000067948892 369736327 /nfs/dbraw/zinc/73/63/27/369736327.db2.gz XGVHUPSNRHPKOD-INIZCTEOSA-N 1 0 285.347 3.310 20 5 CGBDRO CCOC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072976189 369846740 /nfs/dbraw/zinc/84/67/40/369846740.db2.gz IJDCBAGQJAOXEB-CQSZACIVSA-N 1 0 292.379 3.152 20 5 CGBDRO CC[C@@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000331122948 203556737 /nfs/dbraw/zinc/55/67/37/203556737.db2.gz XZVTZMXRVBKQKM-UKRRQHHQSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000512186722 245023985 /nfs/dbraw/zinc/02/39/85/245023985.db2.gz WRRYMTMSPUCDJU-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2Cc3ccccc3C2)cc1 ZINC000114562985 370506124 /nfs/dbraw/zinc/50/61/24/370506124.db2.gz NIXQWYLPUWJICQ-UHFFFAOYSA-N 1 0 268.316 3.153 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344002116 217010403 /nfs/dbraw/zinc/01/04/03/217010403.db2.gz IAKYKMQFWFHEOS-CQSZACIVSA-N 1 0 260.337 3.135 20 5 CGBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000117394678 370590340 /nfs/dbraw/zinc/59/03/40/370590340.db2.gz OPTHVWIRZIUYBK-QWHCGFSZSA-N 1 0 280.393 3.359 20 5 CGBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000118848217 370628662 /nfs/dbraw/zinc/62/86/62/370628662.db2.gz PWMUXLCJXLHYGA-UHFFFAOYSA-N 1 0 291.376 3.119 20 5 CGBDRO CSCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000132506759 371180312 /nfs/dbraw/zinc/18/03/12/371180312.db2.gz JDWSLXYLCLHWPV-NSHDSACASA-N 1 0 268.382 3.307 20 5 CGBDRO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])c2cnccc12 ZINC000133502531 371256937 /nfs/dbraw/zinc/25/69/37/371256937.db2.gz YIKJQACKSVATNL-UHFFFAOYSA-N 1 0 288.351 3.072 20 5 CGBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000135291954 371410795 /nfs/dbraw/zinc/41/07/95/371410795.db2.gz PMOWSKNPGGHNTL-LLVKDONJSA-N 1 0 298.408 3.225 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000135476334 371430910 /nfs/dbraw/zinc/43/09/10/371430910.db2.gz RDRNUWCSFYLIJR-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC(C)(C)C1 ZINC000289904665 371850198 /nfs/dbraw/zinc/85/01/98/371850198.db2.gz SQSZOUARITVUJD-OAHLLOKOSA-N 1 0 292.379 3.374 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000290176615 371922303 /nfs/dbraw/zinc/92/23/03/371922303.db2.gz RMJSCXZPYQYCKG-UHFFFAOYSA-N 1 0 280.368 3.137 20 5 CGBDRO Cc1ccncc1CCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000290406214 371982553 /nfs/dbraw/zinc/98/25/53/371982553.db2.gz PUIHCWLGUDZFFV-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO CC(C)([NH2+]CC[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000429244966 372328376 /nfs/dbraw/zinc/32/83/76/372328376.db2.gz MVXDSNRWLCVDPR-CYBMUJFWSA-N 1 0 292.379 3.379 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432347533 372564054 /nfs/dbraw/zinc/56/40/54/372564054.db2.gz ONLWJZXAMGJPBW-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO CC[C@@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433271774 372585971 /nfs/dbraw/zinc/58/59/71/372585971.db2.gz NVHGIDUGNFOUQB-NHYWBVRUSA-N 1 0 292.379 3.068 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000167056616 372587995 /nfs/dbraw/zinc/58/79/95/372587995.db2.gz PJISREJJVODEGO-DOMZBBRYSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000294149709 372594486 /nfs/dbraw/zinc/59/44/86/372594486.db2.gz VGZDEIQEMLGJEY-INIZCTEOSA-N 1 0 292.379 3.150 20 5 CGBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434664587 372698535 /nfs/dbraw/zinc/69/85/35/372698535.db2.gz VOBSCOVFTPQUOW-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCCC3)o2)cc1 ZINC000171049330 372704691 /nfs/dbraw/zinc/70/46/91/372704691.db2.gz KKMNFHWMRUKAMQ-UHFFFAOYSA-N 1 0 272.304 3.451 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC000296532656 373167434 /nfs/dbraw/zinc/16/74/34/373167434.db2.gz NIDBFRAHZAEROJ-UHFFFAOYSA-N 1 0 270.279 3.072 20 5 CGBDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000173440153 373141897 /nfs/dbraw/zinc/14/18/97/373141897.db2.gz CFRMDPSXTQHTKO-LBPRGKRZSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444682952 373234530 /nfs/dbraw/zinc/23/45/30/373234530.db2.gz CEWDKVSINVVQBG-UHFFFAOYSA-N 1 0 288.351 3.093 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446717043 373343733 /nfs/dbraw/zinc/34/37/33/373343733.db2.gz PESDNVKFEMZUPG-AWEZNQCLSA-N 1 0 262.353 3.115 20 5 CGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000446906607 373378839 /nfs/dbraw/zinc/37/88/39/373378839.db2.gz PDEAXRCUWSDDSX-INIZCTEOSA-N 1 0 292.379 3.030 20 5 CGBDRO CC(C)[N@H+](CCCCCCO)Cc1ccc([N+](=O)[O-])cc1 ZINC000175751423 373514018 /nfs/dbraw/zinc/51/40/18/373514018.db2.gz RLXRBEYYEMBVRV-UHFFFAOYSA-N 1 0 294.395 3.358 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CC2(CCC2)C1 ZINC000448068288 373545074 /nfs/dbraw/zinc/54/50/74/373545074.db2.gz VESOKGCQWUPJLS-UHFFFAOYSA-N 1 0 260.337 3.060 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)C1CC1 ZINC000449446043 373724611 /nfs/dbraw/zinc/72/46/11/373724611.db2.gz NMUQKENRSSKHIE-KGTBHZDVSA-N 1 0 260.337 3.386 20 5 CGBDRO Cn1ccc(C[N@@H+]2CCC[C@@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449505732 373805422 /nfs/dbraw/zinc/80/54/22/373805422.db2.gz XLKOSEKHIFLRAF-MRXNPFEDSA-N 1 0 299.374 3.313 20 5 CGBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000449492468 373784015 /nfs/dbraw/zinc/78/40/15/373784015.db2.gz JKJZZEZIOFUORV-AAEUAGOBSA-N 1 0 298.408 3.197 20 5 CGBDRO Cc1ccc(N(C)C2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000301560789 373785140 /nfs/dbraw/zinc/78/51/40/373785140.db2.gz XYPPLOFKDBIIEC-UHFFFAOYSA-N 1 0 291.395 3.212 20 5 CGBDRO COC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000180198226 373977119 /nfs/dbraw/zinc/97/71/19/373977119.db2.gz JSHDFHHRXIAWNJ-LBPRGKRZSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180256271 373983619 /nfs/dbraw/zinc/98/36/19/373983619.db2.gz WFBHXIXKGLXXMS-DOMZBBRYSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305150183 374077993 /nfs/dbraw/zinc/07/79/93/374077993.db2.gz OKRCYBPQBSVDND-MELADBBJSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)cccc1[N+](=O)[O-] ZINC000305150181 374078266 /nfs/dbraw/zinc/07/82/66/374078266.db2.gz OKRCYBPQBSVDND-BFHYXJOUSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC(F)(F)F)c(F)c1 ZINC000311660427 374251995 /nfs/dbraw/zinc/25/19/95/374251995.db2.gz GGSQSUXURLKVAG-UHFFFAOYSA-N 1 0 280.221 3.166 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159579921 321836825 /nfs/dbraw/zinc/83/68/25/321836825.db2.gz FCTDZDVTVADHDU-NWDGAFQWSA-N 1 0 280.393 3.449 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCCC1 ZINC000311416514 374240577 /nfs/dbraw/zinc/24/05/77/374240577.db2.gz JTAVNNDTEZIEQC-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000312624323 374286116 /nfs/dbraw/zinc/28/61/16/374286116.db2.gz VIVDORFYJCONQO-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO CCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000315059521 374325161 /nfs/dbraw/zinc/32/51/61/374325161.db2.gz DGJVQQPREHCUGA-UHFFFAOYSA-N 1 0 296.342 3.173 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000325686085 374359296 /nfs/dbraw/zinc/35/92/96/374359296.db2.gz MNBKPAVHWGYOFE-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229334 374562840 /nfs/dbraw/zinc/56/28/40/374562840.db2.gz LNFJQISQWIWFEP-MNOVXSKESA-N 1 0 288.351 3.092 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185192914 374607223 /nfs/dbraw/zinc/60/72/23/374607223.db2.gz NQIHWTXBKNTADX-HOTGVXAUSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464770624 374897692 /nfs/dbraw/zinc/89/76/92/374897692.db2.gz CGDOFWNOMXZJJH-MRXNPFEDSA-N 1 0 292.379 3.486 20 5 CGBDRO Cc1c(C[N@@H+]2CCCC3(CC3)C2)cccc1[N+](=O)[O-] ZINC000187005550 374954836 /nfs/dbraw/zinc/95/48/36/374954836.db2.gz VJOJKXLKKURYPZ-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000474141221 375085393 /nfs/dbraw/zinc/08/53/93/375085393.db2.gz IBGIZEVRDATHSW-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO COc1ccc(C[N@@H+]2CCCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000187954044 375126766 /nfs/dbraw/zinc/12/67/66/375126766.db2.gz GKPMVVDZVVQJTL-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000188572540 375234939 /nfs/dbraw/zinc/23/49/39/375234939.db2.gz QNGKSCYJMDVYTL-HUUCEWRRSA-N 1 0 276.336 3.328 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000484299097 375187343 /nfs/dbraw/zinc/18/73/43/375187343.db2.gz ZSBJUPPDYZRSCY-KCPJHIHWSA-N 1 0 292.379 3.367 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cs1 ZINC000335196535 375219126 /nfs/dbraw/zinc/21/91/26/375219126.db2.gz SBWVZNMEMUURPQ-QWRGUYRKSA-N 1 0 252.339 3.031 20 5 CGBDRO Cc1[nH+]ccc(NCc2cccc([N+](=O)[O-])c2C)c1Cl ZINC000336841276 376002815 /nfs/dbraw/zinc/00/28/15/376002815.db2.gz RGCAUMPNONBKGD-UHFFFAOYSA-N 1 0 291.738 3.294 20 5 CGBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OC ZINC000336840994 376003065 /nfs/dbraw/zinc/00/30/65/376003065.db2.gz QVSDINAVKFQTGW-UHFFFAOYSA-N 1 0 284.331 3.029 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC000536682450 376121142 /nfs/dbraw/zinc/12/11/42/376121142.db2.gz PLABYGUNDSFHKX-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537616554 376180339 /nfs/dbraw/zinc/18/03/39/376180339.db2.gz FNUJQOYLTVDTHM-WFMXKNRHSA-N 1 0 260.337 3.338 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000221577371 376217768 /nfs/dbraw/zinc/21/77/68/376217768.db2.gz SQWKTJBZOGRJHV-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000224530046 376284586 /nfs/dbraw/zinc/28/45/86/376284586.db2.gz VYJKDUQFLZLTHD-SOUVJXGZSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055779 376354951 /nfs/dbraw/zinc/35/49/51/376354951.db2.gz JNNCOGJYBCATNY-OLZOCXBDSA-N 1 0 278.352 3.237 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC(C)(C)C ZINC000540724909 376392594 /nfs/dbraw/zinc/39/25/94/376392594.db2.gz KOEVHCFSVJIBJQ-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000230144486 376486794 /nfs/dbraw/zinc/48/67/94/376486794.db2.gz QZJIHGKFRMRYFH-CHWSQXEVSA-N 1 0 298.770 3.151 20 5 CGBDRO CCC[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000236864109 376704478 /nfs/dbraw/zinc/70/44/78/376704478.db2.gz SKFAASZAQAOAPN-UHFFFAOYSA-N 1 0 290.319 3.363 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000339674025 376802077 /nfs/dbraw/zinc/80/20/77/376802077.db2.gz JKYZUCPUDQVLMZ-AWEZNQCLSA-N 1 0 260.337 3.217 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533038 376845690 /nfs/dbraw/zinc/84/56/90/376845690.db2.gz UXQDMTNVHZNKPE-TZMCWYRMSA-N 1 0 278.352 3.075 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558129071 376975943 /nfs/dbraw/zinc/97/59/43/376975943.db2.gz NQSDYFWSQRIZSC-ABAIWWIYSA-N 1 0 287.363 3.397 20 5 CGBDRO Cc1c(C[N@H+]2CCS[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246382777 377019620 /nfs/dbraw/zinc/01/96/20/377019620.db2.gz NGYMPTFGGIGQHA-NEPJUHHUSA-N 1 0 280.393 3.229 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cccc1[N+](=O)[O-] ZINC000559913198 377108749 /nfs/dbraw/zinc/10/87/49/377108749.db2.gz GSSQEZBOKRUNSI-RTXFEEFZSA-N 1 0 266.316 3.444 20 5 CGBDRO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247252829 377185584 /nfs/dbraw/zinc/18/55/84/377185584.db2.gz YKVOHTAXEBUCJL-AEGPPILISA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000562058465 377270944 /nfs/dbraw/zinc/27/09/44/377270944.db2.gz DMKSGFDHNRPCIS-LSJOCFKGSA-N 1 0 270.279 3.207 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000562106222 377278520 /nfs/dbraw/zinc/27/85/20/377278520.db2.gz FBDHXAVXPCIPJT-HZSPNIEDSA-N 1 0 292.379 3.044 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000249071990 377457525 /nfs/dbraw/zinc/45/75/25/377457525.db2.gz LCXNMPSDDFIGJT-DFBGVHRSSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(C[NH2+]CCOCC2CCCC2)cc1[N+](=O)[O-] ZINC000313255874 249089799 /nfs/dbraw/zinc/08/97/99/249089799.db2.gz XJDPMBZEOOWQBW-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000516610722 249238252 /nfs/dbraw/zinc/23/82/52/249238252.db2.gz SECVAZOGVAGXFQ-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC(F)(F)F ZINC000574703522 377699589 /nfs/dbraw/zinc/69/95/89/377699589.db2.gz OQPUHCDBRIVRPO-SNVBAGLBSA-N 1 0 274.242 3.124 20 5 CGBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342603068 377684605 /nfs/dbraw/zinc/68/46/05/377684605.db2.gz XINSFFVUSBDYAP-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@H]1CSCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255619664 377770682 /nfs/dbraw/zinc/77/06/82/377770682.db2.gz UMAZFLNFHBUBOU-RNZFLTOJSA-N 1 0 278.377 3.045 20 5 CGBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2C[NH2+]1 ZINC000262466037 377898071 /nfs/dbraw/zinc/89/80/71/377898071.db2.gz IWSRLBXBZRMCIQ-CYBMUJFWSA-N 1 0 297.358 3.093 20 5 CGBDRO CC(C)(CNc1c(F)cccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000343213992 377931577 /nfs/dbraw/zinc/93/15/77/377931577.db2.gz GZCZVECNOYZIAC-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO CC(C)CC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000343596907 378034165 /nfs/dbraw/zinc/03/41/65/378034165.db2.gz BDIZXZDPQSEGPI-CYBMUJFWSA-N 1 0 296.415 3.269 20 5 CGBDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000268987451 378165727 /nfs/dbraw/zinc/16/57/27/378165727.db2.gz LRXZPHLPYWAZQE-GFCCVEGCSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697562 378255803 /nfs/dbraw/zinc/25/58/03/378255803.db2.gz XGIWYXAGFHUTHS-INWMFGNUSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000272471048 378645154 /nfs/dbraw/zinc/64/51/54/378645154.db2.gz RTEZCDKKFBYJFH-SWLSCSKDSA-N 1 0 280.368 3.187 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000273317365 378741598 /nfs/dbraw/zinc/74/15/98/378741598.db2.gz YJLVVFJBYSYWGD-NSHDSACASA-N 1 0 293.367 3.008 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348140288 378809377 /nfs/dbraw/zinc/80/93/77/378809377.db2.gz APNKKJWLWHJEQF-CMPLNLGQSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccn1 ZINC000348291881 378889650 /nfs/dbraw/zinc/88/96/50/378889650.db2.gz JXUUMSIHSBXGLE-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150410 378944991 /nfs/dbraw/zinc/94/49/91/378944991.db2.gz PIUSKYGPPIMGKL-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000421830135 284742130 /nfs/dbraw/zinc/74/21/30/284742130.db2.gz AXFTZJSQJVHSCM-CYBMUJFWSA-N 1 0 292.379 3.422 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000277223777 379103918 /nfs/dbraw/zinc/10/39/18/379103918.db2.gz LPBZVFCVXRXLKX-ZFWWWQNUSA-N 1 0 294.420 3.257 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000374495229 379448327 /nfs/dbraw/zinc/44/83/27/379448327.db2.gz HVJNZRWXOQKXOB-SGIREYDYSA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282486919 379929774 /nfs/dbraw/zinc/92/97/74/379929774.db2.gz PKNTWPFXHPMUGO-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C2CCCCC2)n1 ZINC000408289711 380003261 /nfs/dbraw/zinc/00/32/61/380003261.db2.gz IPCDNVUSLJEBPB-UONOGXRCSA-N 1 0 292.383 3.197 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283165147 380040618 /nfs/dbraw/zinc/04/06/18/380040618.db2.gz IUGYOQDEANQLFC-JOYOIKCWSA-N 1 0 266.366 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1 ZINC000353049748 380094293 /nfs/dbraw/zinc/09/42/93/380094293.db2.gz UFXADNMYOGFTJN-UHFFFAOYSA-N 1 0 274.242 3.027 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000354355547 380411635 /nfs/dbraw/zinc/41/16/35/380411635.db2.gz VNGIROIMEZMROV-DGCLKSJQSA-N 1 0 295.358 3.043 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000572126440 322321274 /nfs/dbraw/zinc/32/12/74/322321274.db2.gz FMIKYQJJJKALNY-SLEUVZQESA-N 1 0 280.368 3.043 20 5 CGBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205348 194331833 /nfs/dbraw/zinc/33/18/33/194331833.db2.gz BFFROLLILWVQLU-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000357098677 381026240 /nfs/dbraw/zinc/02/62/40/381026240.db2.gz DGKUVRKXEUZDNV-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479025 381556369 /nfs/dbraw/zinc/55/63/69/381556369.db2.gz UQBULOKSTCADEO-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCC1 ZINC000361481743 381766578 /nfs/dbraw/zinc/76/65/78/381766578.db2.gz QHWKKVTXZRBGPY-UHFFFAOYSA-N 1 0 288.351 3.093 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000361629512 381846374 /nfs/dbraw/zinc/84/63/74/381846374.db2.gz KTPGENLZZZFUPP-DZGCQCFKSA-N 1 0 292.379 3.232 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CCC2)c([N+](=O)[O-])cc1F ZINC000362175641 381898374 /nfs/dbraw/zinc/89/83/74/381898374.db2.gz FVZKOSJHXWWFAL-JTQLQIEISA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362437484 381990112 /nfs/dbraw/zinc/99/01/12/381990112.db2.gz KCLXDZYEJWCBJU-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414239404 533008001 /nfs/dbraw/zinc/00/80/01/533008001.db2.gz YPIUDYHPJOPMMC-HSMVNMDESA-N 1 0 292.379 3.449 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362929397 285114165 /nfs/dbraw/zinc/11/41/65/285114165.db2.gz DHYHVVCIFCMLAQ-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000094368163 285115694 /nfs/dbraw/zinc/11/56/94/285115694.db2.gz RKTJYPGXHBOYLY-AWEZNQCLSA-N 1 0 290.363 3.176 20 5 CGBDRO Cc1cccc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000353744459 220297424 /nfs/dbraw/zinc/29/74/24/220297424.db2.gz FPSLJHVPXYQYTN-RMKNXTFCSA-N 1 0 297.358 3.443 20 5 CGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783510 220328573 /nfs/dbraw/zinc/32/85/73/220328573.db2.gz XSNHZONLYMPEFD-CABCVRRESA-N 1 0 292.379 3.230 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350341941 219009854 /nfs/dbraw/zinc/00/98/54/219009854.db2.gz LUOVSMMKPMZSOB-DOMZBBRYSA-N 1 0 296.342 3.027 20 5 CGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819812 220348073 /nfs/dbraw/zinc/34/80/73/220348073.db2.gz UYBYWGIPTBBLTP-HUUCEWRRSA-N 1 0 292.379 3.230 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000353861965 220372434 /nfs/dbraw/zinc/37/24/34/220372434.db2.gz BGSHNXHAPFVOFY-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1ccncc1CCC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000289108164 197237608 /nfs/dbraw/zinc/23/76/08/197237608.db2.gz MPNZGYQYVKDCTD-UHFFFAOYSA-N 1 0 299.374 3.363 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000287516320 196873549 /nfs/dbraw/zinc/87/35/49/196873549.db2.gz OHZNQQLTSBRMGN-MDZLAQPJSA-N 1 0 280.393 3.305 20 5 CGBDRO CC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281304296 195189531 /nfs/dbraw/zinc/18/95/31/195189531.db2.gz PXOLJRBSFGTZJY-PXTSUWAFSA-N 1 0 290.363 3.109 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000411942845 533356072 /nfs/dbraw/zinc/35/60/72/533356072.db2.gz IIYKWJZSQPYFDP-ZUZCIYMTSA-N 1 0 296.342 3.027 20 5 CGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCOCC1 ZINC000107064469 392315087 /nfs/dbraw/zinc/31/50/87/392315087.db2.gz LYLWSFGSSAYHTF-UHFFFAOYSA-N 1 0 298.770 3.107 20 5 CGBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000108393408 392342161 /nfs/dbraw/zinc/34/21/61/392342161.db2.gz OXOWXKQSPCUOBH-OAHLLOKOSA-N 1 0 292.379 3.376 20 5 CGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000109783349 392374963 /nfs/dbraw/zinc/37/49/63/392374963.db2.gz LPVPGDHUXJVXCF-LBPRGKRZSA-N 1 0 286.331 3.493 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000159965981 392580955 /nfs/dbraw/zinc/58/09/55/392580955.db2.gz UQMCRBHATINLQT-WCQYABFASA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H](C[NH+]1CCCCC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000394446859 392938127 /nfs/dbraw/zinc/93/81/27/392938127.db2.gz HONWSTGIXXRLFV-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1C ZINC000468635127 393156613 /nfs/dbraw/zinc/15/66/13/393156613.db2.gz MCEWCSYUYQDVCC-BSLIBVBRSA-N 1 0 260.337 3.244 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278502402 393320930 /nfs/dbraw/zinc/32/09/30/393320930.db2.gz LRWYLOHEVPUTND-WQVCFCJDSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554217 393477756 /nfs/dbraw/zinc/47/77/56/393477756.db2.gz ARYBLNAMHDOWQE-GXTWGEPZSA-N 1 0 278.352 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c(F)c1 ZINC000430041308 393513951 /nfs/dbraw/zinc/51/39/51/393513951.db2.gz VCLAOQNXRFLTTL-VIFPVBQESA-N 1 0 288.269 3.259 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000489453243 393598412 /nfs/dbraw/zinc/59/84/12/393598412.db2.gz WZSWZHRTOCILNA-CQSZACIVSA-N 1 0 278.352 3.224 20 5 CGBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000361132200 393680121 /nfs/dbraw/zinc/68/01/21/393680121.db2.gz OFAFGGTVVNCPOE-GFCCVEGCSA-N 1 0 285.347 3.403 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCF)CCC2 ZINC000360999183 393634635 /nfs/dbraw/zinc/63/46/35/393634635.db2.gz SEXIBGCWYAOUMB-AWEZNQCLSA-N 1 0 266.316 3.312 20 5 CGBDRO COc1ccc(C[N@@H+]2CC3(CCC3)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000432797317 393640822 /nfs/dbraw/zinc/64/08/22/393640822.db2.gz DOMJMWPDNBODSU-LBPRGKRZSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491185801 393671256 /nfs/dbraw/zinc/67/12/56/393671256.db2.gz IOQQLGRJYBAFNC-BXUZGUMPSA-N 1 0 260.337 3.388 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000441682091 393737397 /nfs/dbraw/zinc/73/73/97/393737397.db2.gz RKBSTJFNRDTMRN-HZSPNIEDSA-N 1 0 290.363 3.014 20 5 CGBDRO Cc1ccoc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000491512046 393694104 /nfs/dbraw/zinc/69/41/04/393694104.db2.gz LIYBERQXMQOLBN-GQCTYLIASA-N 1 0 272.304 3.299 20 5 CGBDRO C[C@H]1C[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000493211114 393769395 /nfs/dbraw/zinc/76/93/95/393769395.db2.gz NZGOTOPGMYMSEV-UWVGGRQHSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000453086294 394166024 /nfs/dbraw/zinc/16/60/24/394166024.db2.gz KNFQZWQXQXXFJA-AWEZNQCLSA-N 1 0 299.374 3.491 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453330817 394224411 /nfs/dbraw/zinc/22/44/11/394224411.db2.gz SVOKXMUDHPJXGL-UXIGCNINSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000295766069 292247877 /nfs/dbraw/zinc/24/78/77/292247877.db2.gz QOMUGKPMNSUSLT-OWTLIXCDSA-N 1 0 278.352 3.120 20 5 CGBDRO COCC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182784777 292267704 /nfs/dbraw/zinc/26/77/04/292267704.db2.gz OTTNMRMDXLIZPV-ZDUSSCGKSA-N 1 0 292.379 3.323 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cc(F)cc(F)c2)cc1 ZINC000051634546 286933830 /nfs/dbraw/zinc/93/38/30/286933830.db2.gz IBBSUBOWQVDBDZ-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283165148 287072089 /nfs/dbraw/zinc/07/20/89/287072089.db2.gz IUGYOQDEANQLFC-SKDRFNHKSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359729 165231679 /nfs/dbraw/zinc/23/16/79/165231679.db2.gz GPLHXTPQDLDCTB-ZJUUUORDSA-N 1 0 281.312 3.027 20 5 CGBDRO CC1(C)[C@@H]2C[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000093661008 287118347 /nfs/dbraw/zinc/11/83/47/287118347.db2.gz SVLSNUMJBVOKGT-CCSSQEOUSA-N 1 0 272.348 3.196 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CCC[NH+]1CCCC1 ZINC000299123588 287144440 /nfs/dbraw/zinc/14/44/40/287144440.db2.gz MSIZBBGSOCDCOU-AWEZNQCLSA-N 1 0 291.395 3.074 20 5 CGBDRO CSCCN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119355397 287168526 /nfs/dbraw/zinc/16/85/26/287168526.db2.gz BQRFEEBZBSQHFF-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000121409906 287197965 /nfs/dbraw/zinc/19/79/65/287197965.db2.gz NYLQROSSNDCGSO-BLLLJJGKSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020128894 171016604 /nfs/dbraw/zinc/01/66/04/171016604.db2.gz XSIYLDCTDIONSJ-AWEZNQCLSA-N 1 0 291.395 3.121 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474758 171218703 /nfs/dbraw/zinc/21/87/03/171218703.db2.gz LAGMYDFBRAMTNB-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO Cc1c(C[NH2+]Cc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000035648854 172325459 /nfs/dbraw/zinc/32/54/59/172325459.db2.gz CBWLOAMSOAOLBC-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO Cc1cccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)n1 ZINC000285535703 196318202 /nfs/dbraw/zinc/31/82/02/196318202.db2.gz LEGNGRVVFIUJFW-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127551902 287290182 /nfs/dbraw/zinc/29/01/82/287290182.db2.gz JAAFOCMJATVBSG-ZIAGYGMSSA-N 1 0 293.411 3.284 20 5 CGBDRO COc1ccc(C[NH2+]C2(C)CCCCC2)cc1[N+](=O)[O-] ZINC000045045780 175295939 /nfs/dbraw/zinc/29/59/39/175295939.db2.gz NWEMLFXYNOVSDP-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO CCSCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130589231 287358599 /nfs/dbraw/zinc/35/85/99/287358599.db2.gz NUZHQHLNNVZTHO-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000391223626 262392355 /nfs/dbraw/zinc/39/23/55/262392355.db2.gz XUTFVOXLZLNHHH-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C/C=C/c2ccccc2)c1 ZINC000052926310 270040271 /nfs/dbraw/zinc/04/02/71/270040271.db2.gz WBDBONYMALUBII-WEVVVXLNSA-N 1 0 268.316 3.398 20 5 CGBDRO C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCCC1 ZINC000103471257 270045872 /nfs/dbraw/zinc/04/58/72/270045872.db2.gz ICFYPVSTXXMCOF-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000230405297 270089210 /nfs/dbraw/zinc/08/92/10/270089210.db2.gz KZHRVTASWLWWIK-DGCLKSJQSA-N 1 0 262.353 3.429 20 5 CGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303028926 270091879 /nfs/dbraw/zinc/09/18/79/270091879.db2.gz SXXAXAREXCJPST-HZSPNIEDSA-N 1 0 291.395 3.373 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316091046 270092592 /nfs/dbraw/zinc/09/25/92/270092592.db2.gz BKCHSZRHYBDVBQ-HOTGVXAUSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(F)CC2)cc(C(F)(F)F)c1 ZINC000525995681 270121949 /nfs/dbraw/zinc/12/19/49/270121949.db2.gz JIDUTAUBRULMEU-UHFFFAOYSA-N 1 0 292.232 3.205 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000527371008 270127951 /nfs/dbraw/zinc/12/79/51/270127951.db2.gz SPAAMKBCAWQYGW-DDUYRFODSA-N 1 0 290.363 3.121 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532531340 270217198 /nfs/dbraw/zinc/21/71/98/270217198.db2.gz LZXQBKYEOKTWBT-KWCYVHTRSA-N 1 0 294.395 3.351 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000533250029 270222678 /nfs/dbraw/zinc/22/26/78/270222678.db2.gz PJEKUWUXDLYEHA-NSHDSACASA-N 1 0 280.368 3.470 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CCC1)CCC2 ZINC000192744697 275037649 /nfs/dbraw/zinc/03/76/49/275037649.db2.gz BJZIBNMRQVVXNW-HNNXBMFYSA-N 1 0 260.337 3.362 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3ccccc3OC2)c1 ZINC000509444108 275039468 /nfs/dbraw/zinc/03/94/68/275039468.db2.gz LLZRPFVAKJTZCG-HNNXBMFYSA-N 1 0 298.342 3.078 20 5 CGBDRO CC(C)(C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543915 275511027 /nfs/dbraw/zinc/51/10/27/275511027.db2.gz TZNRBGFQQOKHQG-STQMWFEESA-N 1 0 294.399 3.301 20 5 CGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000269883618 276109724 /nfs/dbraw/zinc/10/97/24/276109724.db2.gz AQGCOLFPKOGTAP-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000516978637 276117409 /nfs/dbraw/zinc/11/74/09/276117409.db2.gz GHBFQDFHOGBQPS-BXUZGUMPSA-N 1 0 290.363 3.129 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000344388088 278037438 /nfs/dbraw/zinc/03/74/38/278037438.db2.gz GHPOAZWPZGMNHQ-LRDDRELGSA-N 1 0 292.379 3.375 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000396919779 288018201 /nfs/dbraw/zinc/01/82/01/288018201.db2.gz XTTRPPCJWWHJLO-QMMMGPOBSA-N 1 0 294.248 3.412 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205265 288072861 /nfs/dbraw/zinc/07/28/61/288072861.db2.gz NTUGZXYYKARPTR-WCQYABFASA-N 1 0 282.409 3.257 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070495801 279101909 /nfs/dbraw/zinc/10/19/09/279101909.db2.gz OMVSHWKOJVBOCD-ZDUSSCGKSA-N 1 0 294.399 3.221 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]1(C)CC=CCC1 ZINC000459745450 288100720 /nfs/dbraw/zinc/10/07/20/288100720.db2.gz FMNNVNFEQSFPMU-OAHLLOKOSA-N 1 0 260.337 3.492 20 5 CGBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577635 279228353 /nfs/dbraw/zinc/22/83/53/279228353.db2.gz NFTQRVHSFZKKGV-STQMWFEESA-N 1 0 280.368 3.321 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](C2CC2)C2CCCC2)cc1 ZINC000521705941 288136515 /nfs/dbraw/zinc/13/65/15/288136515.db2.gz RKHKUIZWGQVAHJ-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284995113 279507610 /nfs/dbraw/zinc/50/76/10/279507610.db2.gz GPJJGSUJNPIECP-OUJBWJOFSA-N 1 0 263.341 3.016 20 5 CGBDRO CCOC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189794456 279742488 /nfs/dbraw/zinc/74/24/88/279742488.db2.gz HRQCECXDRSKDDC-DOMZBBRYSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCSC1 ZINC000530365980 288301803 /nfs/dbraw/zinc/30/18/03/288301803.db2.gz JVXLTWDFORZSML-QWRGUYRKSA-N 1 0 266.366 3.059 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]1Cc1ccccc1 ZINC000531232703 288331149 /nfs/dbraw/zinc/33/11/49/288331149.db2.gz QPXFPCKLIWWBKO-INIZCTEOSA-N 1 0 282.343 3.412 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000540686691 288666958 /nfs/dbraw/zinc/66/69/58/288666958.db2.gz WPVZNKHRSCOTLI-KCPJHIHWSA-N 1 0 292.379 3.052 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]1C(C)C ZINC000552045084 289153891 /nfs/dbraw/zinc/15/38/91/289153891.db2.gz XTRMLJNXWUIODG-UONOGXRCSA-N 1 0 278.352 3.128 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000553333487 289219854 /nfs/dbraw/zinc/21/98/54/289219854.db2.gz YFBLFVDQLIVNHZ-DJSGYFEHSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000554845505 289313342 /nfs/dbraw/zinc/31/33/42/289313342.db2.gz ANPRBSREGUZAII-JTQLQIEISA-N 1 0 290.285 3.268 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000156027050 321773410 /nfs/dbraw/zinc/77/34/10/321773410.db2.gz YRFXDCDPQXDORB-CYBMUJFWSA-N 1 0 288.347 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000324791251 321961895 /nfs/dbraw/zinc/96/18/95/321961895.db2.gz LTMSBKJWHIHMTN-MRXNPFEDSA-N 1 0 290.363 3.142 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccccc1O ZINC000565843864 322094107 /nfs/dbraw/zinc/09/41/07/322094107.db2.gz PNDALBLWVFXHFD-HNNXBMFYSA-N 1 0 298.342 3.120 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCF ZINC000565925971 322097091 /nfs/dbraw/zinc/09/70/91/322097091.db2.gz MPTAGQPJKAHLRV-NSHDSACASA-N 1 0 254.305 3.304 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000566617397 322131707 /nfs/dbraw/zinc/13/17/07/322131707.db2.gz DZCHJKRGVRFOEB-INIZCTEOSA-N 1 0 297.358 3.022 20 5 CGBDRO CCC(CC)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000568830360 322223905 /nfs/dbraw/zinc/22/39/05/322223905.db2.gz JTEKKRPDWBZFHC-KBPBESRZSA-N 1 0 294.399 3.301 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000571806240 322308204 /nfs/dbraw/zinc/30/82/04/322308204.db2.gz NAFQMKGQUGZADW-CQSZACIVSA-N 1 0 274.364 3.425 20 5 CGBDRO Cc1cc(OC[C@H]2CC[C@H](C[NH3+])CC2)c(F)cc1[N+](=O)[O-] ZINC000572148977 322322277 /nfs/dbraw/zinc/32/22/77/322322277.db2.gz MBXVCJFMTSVYNX-HAQNSBGRSA-N 1 0 296.342 3.186 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000582163752 328596174 /nfs/dbraw/zinc/59/61/74/328596174.db2.gz UANTYFMYVWVKHG-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000583088402 329310207 /nfs/dbraw/zinc/31/02/07/329310207.db2.gz FUQQPHOLBMXAAK-ZDUSSCGKSA-N 1 0 292.379 3.342 20 5 CGBDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000232349963 333336016 /nfs/dbraw/zinc/33/60/16/333336016.db2.gz HHPYJLPNBWHXIN-GXTWGEPZSA-N 1 0 280.368 3.307 20 5 CGBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000576089687 335151599 /nfs/dbraw/zinc/15/15/99/335151599.db2.gz JUESCIULNNBJAW-OKILXGFUSA-N 1 0 290.363 3.225 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000577481481 335356876 /nfs/dbraw/zinc/35/68/76/335356876.db2.gz VRFIFBDVWPERKH-DGCLKSJQSA-N 1 0 280.368 3.226 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177517628 335373698 /nfs/dbraw/zinc/37/36/98/335373698.db2.gz UXOWENHQWUFKPD-STQMWFEESA-N 1 0 260.337 3.217 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000578215745 335580989 /nfs/dbraw/zinc/58/09/89/335580989.db2.gz IJPKWBIKHQHQPM-HKCMKHECSA-N 1 0 292.379 3.305 20 5 CGBDRO CCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CCCC1 ZINC000382572211 336094079 /nfs/dbraw/zinc/09/40/79/336094079.db2.gz RAEBCXMAFWPZJI-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000423472547 533887497 /nfs/dbraw/zinc/88/74/97/533887497.db2.gz GABKUZVAEATMPE-LBPRGKRZSA-N 1 0 285.347 3.336 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418100366 534082656 /nfs/dbraw/zinc/08/26/56/534082656.db2.gz PJEMDUIYXHERLR-MRXNPFEDSA-N 1 0 298.342 3.264 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC=CCC1 ZINC000449109024 534254124 /nfs/dbraw/zinc/25/41/24/534254124.db2.gz WWZQZIRCISMMIY-KBPBESRZSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCSC1 ZINC000449328162 534254182 /nfs/dbraw/zinc/25/41/82/534254182.db2.gz DYTNPHMCMQIRGZ-STQMWFEESA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=CCCC1 ZINC000449187009 534254218 /nfs/dbraw/zinc/25/42/18/534254218.db2.gz CYVSXJMXKNSHGG-JSGCOSHPSA-N 1 0 260.337 3.224 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000087710806 520576928 /nfs/dbraw/zinc/57/69/28/520576928.db2.gz MUPMCYORMORWSA-GJZGRUSLSA-N 1 0 290.363 3.032 20 5 CGBDRO C[C@H](CF)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290245959 524275199 /nfs/dbraw/zinc/27/51/99/524275199.db2.gz VFKQMPYMOCQENW-YRGRVCCFSA-N 1 0 280.343 3.254 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC2(CCCO2)CC1 ZINC000365001902 534886981 /nfs/dbraw/zinc/88/69/81/534886981.db2.gz NZWGTCWVGIDYNP-UHFFFAOYSA-N 1 0 290.363 3.176 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCc2ccco2)cccc1[N+](=O)[O-] ZINC000155970458 525894242 /nfs/dbraw/zinc/89/42/42/525894242.db2.gz TUHQUDAFJJQCAG-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275659587 525915262 /nfs/dbraw/zinc/91/52/62/525915262.db2.gz FXIVLBCFOOLESR-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC12CC2 ZINC000424185911 527501298 /nfs/dbraw/zinc/50/12/98/527501298.db2.gz REBHNXSSDIVFBY-SMJHDNPOSA-N 1 0 258.321 3.140 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC12CC2 ZINC000424185909 527502584 /nfs/dbraw/zinc/50/25/84/527502584.db2.gz REBHNXSSDIVFBY-JOHMGYAOSA-N 1 0 258.321 3.140 20 5 CGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087409009 527697130 /nfs/dbraw/zinc/69/71/30/527697130.db2.gz PWYRFMGVBATKNZ-WDEREUQCSA-N 1 0 288.351 3.049 20 5 CGBDRO CCCN(CC[NH+](CC)CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000359571763 528077557 /nfs/dbraw/zinc/07/75/57/528077557.db2.gz OSZZROAMIQVGCN-UHFFFAOYSA-N 1 0 293.411 3.149 20 5 CGBDRO CCCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000369490664 528139414 /nfs/dbraw/zinc/13/94/14/528139414.db2.gz OLYLJTFZAJTPDR-UHFFFAOYSA-N 1 0 280.372 3.009 20 5 CGBDRO CCC[C@H](N[C@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423371953 528241407 /nfs/dbraw/zinc/24/14/07/528241407.db2.gz VPTWYNDEVQJDOB-RCBQFDQVSA-N 1 0 291.395 3.024 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432323499 528260202 /nfs/dbraw/zinc/26/02/02/528260202.db2.gz QWEBCOXCCYYAEX-LLVKDONJSA-N 1 0 297.786 3.169 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000131881130 529018773 /nfs/dbraw/zinc/01/87/73/529018773.db2.gz ZZMBDICKCLQOBB-DZGCQCFKSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000357787938 529204180 /nfs/dbraw/zinc/20/41/80/529204180.db2.gz LAGKGSNUTWULCG-HUUCEWRRSA-N 1 0 294.395 3.431 20 5 CGBDRO CNC(=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000738429726 572375691 /nfs/dbraw/zinc/37/56/91/572375691.db2.gz FDRWWGKFFAGOJX-UHFFFAOYSA-N 1 0 292.382 3.219 20 5 CGBDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000725849461 572442479 /nfs/dbraw/zinc/44/24/79/572442479.db2.gz OGNIHEWWWVIZQX-CYBMUJFWSA-N 1 0 286.331 3.152 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccoc2)cc1 ZINC000742375671 572570468 /nfs/dbraw/zinc/57/04/68/572570468.db2.gz UTWMCCAXDWYNTH-UHFFFAOYSA-N 1 0 274.320 3.300 20 5 CGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCOC1 ZINC000735492293 572726107 /nfs/dbraw/zinc/72/61/07/572726107.db2.gz HOSFGWGKZGPCEQ-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@H]1c2ccccc2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072665 573078836 /nfs/dbraw/zinc/07/88/36/573078836.db2.gz PWBAGJLSGFHAFB-SJCJKPOMSA-N 1 0 298.342 3.205 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000750074373 573079198 /nfs/dbraw/zinc/07/91/98/573079198.db2.gz XKUYCUWSOZMDFX-IRXDYDNUSA-N 1 0 298.342 3.075 20 5 CGBDRO CC(C)(C)OCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000308509525 618242213 /nfs/dbraw/zinc/24/22/13/618242213.db2.gz ALEMPVZWKDUJGQ-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CC(C)(C)OCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308516342 618242455 /nfs/dbraw/zinc/24/24/55/618242455.db2.gz ZNTGFWGVXLEHKT-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000166353056 618668921 /nfs/dbraw/zinc/66/89/21/618668921.db2.gz QCNPHNGBDGTBKK-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925643587 619102757 /nfs/dbraw/zinc/10/27/57/619102757.db2.gz XBDXFWMSROEIMU-HOCLYGCPSA-N 1 0 294.395 3.057 20 5 CGBDRO COCC[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840955868 619263844 /nfs/dbraw/zinc/26/38/44/619263844.db2.gz YXWLHUSWBWMGMO-JTQLQIEISA-N 1 0 286.759 3.010 20 5 CGBDRO Cc1coc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000894678836 619601672 /nfs/dbraw/zinc/60/16/72/619601672.db2.gz DYKVAPVUGSAJDP-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCC1(O)CCC1 ZINC000894975859 619690338 /nfs/dbraw/zinc/69/03/38/619690338.db2.gz SHSRGWCDMOGEHI-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000897463061 620340126 /nfs/dbraw/zinc/34/01/26/620340126.db2.gz ARRXYLMUDVSFOR-NWDGAFQWSA-N 1 0 262.353 3.477 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000897463703 620340560 /nfs/dbraw/zinc/34/05/60/620340560.db2.gz BWYZAIIFMJCRNT-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H](C[NH2+]C1CC(C(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000897466543 620340987 /nfs/dbraw/zinc/34/09/87/620340987.db2.gz WUHMOWNEBGUALB-KPPDAEKUSA-N 1 0 284.306 3.332 20 5 CGBDRO C[C@@H](C[NH2+]CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000897469265 620341840 /nfs/dbraw/zinc/34/18/40/620341840.db2.gz HBNCXZVHQSYRSB-NSHDSACASA-N 1 0 250.342 3.334 20 5 CGBDRO CC[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000054467936 620352474 /nfs/dbraw/zinc/35/24/74/620352474.db2.gz NHGJPQLVLASJEP-VIFPVBQESA-N 1 0 256.733 3.384 20 5 CGBDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000902969042 621502702 /nfs/dbraw/zinc/50/27/02/621502702.db2.gz AVJYXBZXHRITML-GJZGRUSLSA-N 1 0 292.379 3.341 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCc2ccco2)cc([N+](=O)[O-])c1 ZINC000903057358 621546931 /nfs/dbraw/zinc/54/69/31/621546931.db2.gz FRFTWXPCOXXRSD-NSHDSACASA-N 1 0 290.319 3.090 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H](C)CSC)cc([N+](=O)[O-])c1 ZINC000903098463 621571489 /nfs/dbraw/zinc/57/14/89/621571489.db2.gz PESVVRGPTFWIIO-ZJUUUORDSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903103821 621576571 /nfs/dbraw/zinc/57/65/71/621576571.db2.gz AJUPXWBRUQAISK-ZYHUDNBSSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCC2CC2)cc([N+](=O)[O-])c1 ZINC000903119976 621588340 /nfs/dbraw/zinc/58/83/40/621588340.db2.gz LQLAGCHMCIVSMZ-SNVBAGLBSA-N 1 0 264.325 3.054 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903164271 621609737 /nfs/dbraw/zinc/60/97/37/621609737.db2.gz KOBHMHPKBIGMTN-WDEREUQCSA-N 1 0 296.392 3.007 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000903193145 621620268 /nfs/dbraw/zinc/62/02/68/621620268.db2.gz SIGPWMNBSNYNAQ-FOUMNBMASA-N 1 0 276.336 3.053 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000903286610 621669719 /nfs/dbraw/zinc/66/97/19/621669719.db2.gz CKKCCUOIPMAFQU-KYOSRNDESA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000903286683 621669726 /nfs/dbraw/zinc/66/97/26/621669726.db2.gz DZKREUDZBHYVBK-OSAQELSMSA-N 1 0 278.352 3.203 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC000903393992 621719620 /nfs/dbraw/zinc/71/96/20/621719620.db2.gz WYKDXBVZQZBVCG-GBIKHYSHSA-N 1 0 296.392 3.002 20 5 CGBDRO CC1(CNc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]CC1 ZINC000167793405 622962775 /nfs/dbraw/zinc/96/27/75/622962775.db2.gz DLLKTZXSDLKYAG-UHFFFAOYSA-N 1 0 283.759 3.050 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000233847087 624651201 /nfs/dbraw/zinc/65/12/01/624651201.db2.gz DGGZRMDCPWWLFC-OCCSQVGLSA-N 1 0 298.383 3.498 20 5 CGBDRO [NH3+][C@H]1CC[C@H](Nc2cc(Cl)c(F)cc2[N+](=O)[O-])CC1 ZINC000321909067 626092487 /nfs/dbraw/zinc/09/24/87/626092487.db2.gz OTKUGFBXVWPHFO-ZKCHVHJHSA-N 1 0 287.722 3.069 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244201 626609469 /nfs/dbraw/zinc/60/94/69/626609469.db2.gz DTYBWWGMBQNFRJ-ZBFHGGJFSA-N 1 0 292.379 3.283 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761288934 627030671 /nfs/dbraw/zinc/03/06/71/627030671.db2.gz ZEIUCWDQMKYRRO-GFCCVEGCSA-N 1 0 290.367 3.187 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000776252509 628184786 /nfs/dbraw/zinc/18/47/86/628184786.db2.gz CHATWQMJJIFCQR-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO Cc1cscc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788796008 629082637 /nfs/dbraw/zinc/08/26/37/629082637.db2.gz QETCEUSHRXYVNQ-JTQLQIEISA-N 1 0 291.376 3.398 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000792867207 629389005 /nfs/dbraw/zinc/38/90/05/629389005.db2.gz MKVLDXRHAHRRPW-QWRGUYRKSA-N 1 0 293.323 3.123 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCCCCCC1 ZINC000797515551 629956033 /nfs/dbraw/zinc/95/60/33/629956033.db2.gz SXRBPTUFOMKAJX-UHFFFAOYSA-N 1 0 278.352 3.370 20 5 CGBDRO CSCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000798963480 630131166 /nfs/dbraw/zinc/13/11/66/630131166.db2.gz FPEQKMIDQZMSNW-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566311 631796575 /nfs/dbraw/zinc/79/65/75/631796575.db2.gz PNSYQOLGMSODIW-SNVBAGLBSA-N 1 0 265.357 3.264 20 5 CGBDRO CC1(C)CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819253801 632411921 /nfs/dbraw/zinc/41/19/21/632411921.db2.gz JAGYQFZTCCMMEB-HIFRSBDPSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cs1 ZINC000865857200 632922409 /nfs/dbraw/zinc/92/24/09/632922409.db2.gz NYHPAKSOCDNZRR-GFCCVEGCSA-N 1 0 296.392 3.238 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1CC1 ZINC000866218694 633033719 /nfs/dbraw/zinc/03/37/19/633033719.db2.gz WGWNRIHBJFMNSH-UWVGGRQHSA-N 1 0 266.316 3.053 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866581943 633201738 /nfs/dbraw/zinc/20/17/38/633201738.db2.gz FSGRGWJPEOGDEH-KWCYVHTRSA-N 1 0 292.404 3.341 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000866636471 633224443 /nfs/dbraw/zinc/22/44/43/633224443.db2.gz KYBXNMCMWOYNDX-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122566714 633440925 /nfs/dbraw/zinc/44/09/25/633440925.db2.gz HVVMFKWFDSDWQX-HZPDHXFCSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(F)F ZINC000827251785 633475214 /nfs/dbraw/zinc/47/52/14/633475214.db2.gz NMIQHWICOVCGHM-NSHDSACASA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064110 633985937 /nfs/dbraw/zinc/98/59/37/633985937.db2.gz CAXCJIPFIMXCST-MNOVXSKESA-N 1 0 280.299 3.077 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080641 634004250 /nfs/dbraw/zinc/00/42/50/634004250.db2.gz BFPQUTKVHUEIFE-SRVKXCTJSA-N 1 0 298.358 3.182 20 5 CGBDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088572 634014360 /nfs/dbraw/zinc/01/43/60/634014360.db2.gz SHBNXJULBPZNPS-NWDGAFQWSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832565269 634073140 /nfs/dbraw/zinc/07/31/40/634073140.db2.gz QRJNKSMBQQMVAF-JTQLQIEISA-N 1 0 293.323 3.266 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832629224 634076815 /nfs/dbraw/zinc/07/68/15/634076815.db2.gz QXDBENVFURLMAZ-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO CC1(C)CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877095580 634983176 /nfs/dbraw/zinc/98/31/76/634983176.db2.gz RLMFWFWCWSOMEU-YIZWMMSDSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCc1ccncc1 ZINC000877318816 635025322 /nfs/dbraw/zinc/02/53/22/635025322.db2.gz KMAPXQXDGBRHQC-UHFFFAOYSA-N 1 0 299.374 3.281 20 5 CGBDRO C[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877464996 635047867 /nfs/dbraw/zinc/04/78/67/635047867.db2.gz QKJICWUAUOWISK-MRFVTOPCSA-N 1 0 292.383 3.053 20 5 CGBDRO CS[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877563290 635091895 /nfs/dbraw/zinc/09/18/95/635091895.db2.gz LGGWXAAEALIUJH-LBPRGKRZSA-N 1 0 280.393 3.149 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cs1 ZINC000877719065 635163784 /nfs/dbraw/zinc/16/37/84/635163784.db2.gz FXRWOWXOYBPXQD-TXEJJXNPSA-N 1 0 264.350 3.054 20 5 CGBDRO CS[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000877827893 635230204 /nfs/dbraw/zinc/23/02/04/635230204.db2.gz ZDBBTGIODXZNDS-XWIASGKRSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)s1 ZINC000879252233 635736824 /nfs/dbraw/zinc/73/68/24/635736824.db2.gz JMTBUWIEPFACEA-QMMMGPOBSA-N 1 0 295.339 3.350 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000880091737 635910958 /nfs/dbraw/zinc/91/09/58/635910958.db2.gz GFWCJHTUSLFVTD-FOCJUVANSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000128220780 635920231 /nfs/dbraw/zinc/92/02/31/635920231.db2.gz HMXFSPBQGCSGFK-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCOC1 ZINC000880470204 636006295 /nfs/dbraw/zinc/00/62/95/636006295.db2.gz OCIUARLZKSIKGH-JSGCOSHPSA-N 1 0 296.342 3.029 20 5 CGBDRO CSCC[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000130747802 636506699 /nfs/dbraw/zinc/50/66/99/636506699.db2.gz HJQGVHVYOCKKOJ-NSHDSACASA-N 1 0 268.382 3.134 20 5 CGBDRO CCC([NH3+])(CC)CNc1ccc2ncccc2c1[N+](=O)[O-] ZINC000133493291 636904592 /nfs/dbraw/zinc/90/45/92/636904592.db2.gz FBXLJYRSIAVIST-UHFFFAOYSA-N 1 0 288.351 3.072 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OCCC2CC[NH2+]CC2)c1 ZINC000134494855 637024503 /nfs/dbraw/zinc/02/45/03/637024503.db2.gz RQDQRLSVOGOFHM-UHFFFAOYSA-N 1 0 284.743 3.017 20 5 CGBDRO C[C@H](c1cccs1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885958012 637330426 /nfs/dbraw/zinc/33/04/26/637330426.db2.gz BOHJFPSINYVXTG-SNVBAGLBSA-N 1 0 277.349 3.244 20 5 CGBDRO C[C@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038577 637381125 /nfs/dbraw/zinc/38/11/25/637381125.db2.gz YUZPGUWHYGKISJ-XJKSGUPXSA-N 1 0 297.358 3.368 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000886109277 637418653 /nfs/dbraw/zinc/41/86/53/637418653.db2.gz GNOUVKQFHHRDPW-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@H+](CC1CC1)CC1CCC1 ZINC000886183393 637451259 /nfs/dbraw/zinc/45/12/59/637451259.db2.gz CRFDXGYIGNZOJV-UHFFFAOYSA-N 1 0 275.352 3.002 20 5 CGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000925691664 638570059 /nfs/dbraw/zinc/57/00/59/638570059.db2.gz JKSYVOCFIVNBHL-MAHYQRQESA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000927025194 638833219 /nfs/dbraw/zinc/83/32/19/638833219.db2.gz BKYNMLSHUYXMHA-JTNHKYCSSA-N 1 0 292.404 3.456 20 5 CGBDRO COC[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000927096886 638841389 /nfs/dbraw/zinc/84/13/89/638841389.db2.gz JPZVSTXZXMNPLH-CHWSQXEVSA-N 1 0 280.368 3.164 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000934233244 639564988 /nfs/dbraw/zinc/56/49/88/639564988.db2.gz IIRSVCBCDVWVQC-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000934673250 639655985 /nfs/dbraw/zinc/65/59/85/639655985.db2.gz AVFBMOIYTVMCJK-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000114504650 641000216 /nfs/dbraw/zinc/00/02/16/641000216.db2.gz SOFAFKSHZIVUST-UHFFFAOYSA-N 1 0 260.293 3.094 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC001251761965 805930600 /nfs/dbraw/zinc/93/06/00/805930600.db2.gz WAOZYAVNZDVMDO-KGLIPLIRSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccc([N+](=O)[O-])n1 ZINC001158731512 805991305 /nfs/dbraw/zinc/99/13/05/805991305.db2.gz YCRZDXBFGAKXPC-CYBMUJFWSA-N 1 0 298.346 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)C[NH2+]C3)c1F ZINC001159472928 806108748 /nfs/dbraw/zinc/10/87/48/806108748.db2.gz XIVJSNJCNWVMPJ-UHFFFAOYSA-N 1 0 291.257 3.220 20 5 CGBDRO O=[N+]([O-])c1cc(Nc2ccc3c(c2)CC[NH2+]C3)ccc1F ZINC001159600018 806127575 /nfs/dbraw/zinc/12/75/75/806127575.db2.gz CKLFDSACXFEBSU-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001254553498 806449412 /nfs/dbraw/zinc/44/94/12/806449412.db2.gz WDWGFTPXPDJBPQ-RTXFEEFZSA-N 1 0 296.317 3.113 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001254573537 806454067 /nfs/dbraw/zinc/45/40/67/806454067.db2.gz BNNFHYGZVOVWMW-XHDPSFHLSA-N 1 0 274.364 3.230 20 5 CGBDRO CC(C)(CC1CC1)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585347 806455385 /nfs/dbraw/zinc/45/53/85/806455385.db2.gz DWBXOEVFKMALMS-AWEZNQCLSA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C2 ZINC001254581728 806455444 /nfs/dbraw/zinc/45/54/44/806455444.db2.gz LTBJKLCOUDEEMK-NJAFHUGGSA-N 1 0 294.354 3.208 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596418 806456692 /nfs/dbraw/zinc/45/66/92/806456692.db2.gz DNTMYNKDAFGFBY-OZVIIMIRSA-N 1 0 274.364 3.325 20 5 CGBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590042 806457577 /nfs/dbraw/zinc/45/75/77/806457577.db2.gz SYNVLYBTCBZLGE-KTMIJUKYSA-N 1 0 274.364 3.086 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001162403421 806578879 /nfs/dbraw/zinc/57/88/79/806578879.db2.gz CYMZTOCDAQDLJW-QWHCGFSZSA-N 1 0 285.347 3.430 20 5 CGBDRO COc1c(F)cc(NC(=[NH2+])C(C)(C)C)cc1[N+](=O)[O-] ZINC001162664306 806643953 /nfs/dbraw/zinc/64/39/53/806643953.db2.gz CVGIIFNUSMCDMP-UHFFFAOYSA-N 1 0 269.276 3.178 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)c(C(F)F)c1 ZINC000111290755 798983825 /nfs/dbraw/zinc/98/38/25/798983825.db2.gz PIJQEXMPJPWPCP-VIFPVBQESA-N 1 0 297.305 3.181 20 5 CGBDRO [NH3+]C1(CNc2ccc3ccc4cccnc4c3n2)CCC1 ZINC001163321300 806739929 /nfs/dbraw/zinc/73/99/29/806739929.db2.gz NVOZLCBWVFZQNE-UHFFFAOYSA-N 1 0 278.359 3.076 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000692868430 799801985 /nfs/dbraw/zinc/80/19/85/799801985.db2.gz PJGHRPHQFOHATR-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000692926939 799803390 /nfs/dbraw/zinc/80/33/90/799803390.db2.gz TZFDHZPVSWFEBB-VGPLMAKISA-N 1 0 278.327 3.497 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)C2(Cl)CC2)cccc1[N+](=O)[O-] ZINC000695641521 799831121 /nfs/dbraw/zinc/83/11/21/799831121.db2.gz XQIQBALUKWOEAS-SNVBAGLBSA-N 1 0 268.744 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CC2(F)F)c1 ZINC000701940126 799900067 /nfs/dbraw/zinc/90/00/67/799900067.db2.gz YOSIFYRBYFBFQR-VIFPVBQESA-N 1 0 290.697 3.383 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711685752 800069036 /nfs/dbraw/zinc/06/90/36/800069036.db2.gz MCYQNKQKQROPJG-SNVBAGLBSA-N 1 0 266.728 3.304 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000716896595 800184998 /nfs/dbraw/zinc/18/49/98/800184998.db2.gz WOQUDYMRHVROSE-KYOSRNDESA-N 1 0 280.368 3.185 20 5 CGBDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000721194060 800279925 /nfs/dbraw/zinc/27/99/25/800279925.db2.gz NGRWDTNUORDQQH-ZFWWWQNUSA-N 1 0 278.352 3.032 20 5 CGBDRO CCc1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000765993993 800383467 /nfs/dbraw/zinc/38/34/67/800383467.db2.gz OXJOFHKURNAUSZ-NSHDSACASA-N 1 0 288.351 3.040 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C2(C)CC2)cc1[N+](=O)[O-] ZINC001116495246 802365862 /nfs/dbraw/zinc/36/58/62/802365862.db2.gz RMJVDDQRRUBZAK-JTQLQIEISA-N 1 0 264.325 3.197 20 5 CGBDRO Cc1ccc(NC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)cc1 ZINC001118350686 802550647 /nfs/dbraw/zinc/55/06/47/802550647.db2.gz QEJHFSGFZDPFDD-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO CC1CC([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001180349716 809996040 /nfs/dbraw/zinc/99/60/40/809996040.db2.gz OVLIRPVWWDLTLW-UHFFFAOYSA-N 1 0 268.744 3.179 20 5 CGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc3ccc4cccnc4c3n2)C1 ZINC001154976531 805516345 /nfs/dbraw/zinc/51/63/45/805516345.db2.gz LJOKTFNOFZLNNM-CABCVRRESA-N 1 0 292.386 3.465 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC001168958546 807541393 /nfs/dbraw/zinc/54/13/93/807541393.db2.gz OEFJQKYZQFBEOA-UHOFOFEASA-N 1 0 274.364 3.173 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)C1 ZINC001168956794 807541416 /nfs/dbraw/zinc/54/14/16/807541416.db2.gz FLMUMWRYNOFWBG-SMDDNHRTSA-N 1 0 294.782 3.364 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168970664 807544153 /nfs/dbraw/zinc/54/41/53/807544153.db2.gz IDCLTLXFYWTHAJ-HOSYDEDBSA-N 1 0 284.306 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168976754 807545354 /nfs/dbraw/zinc/54/53/54/807545354.db2.gz GBXILRIKHFLADC-BFVZDQMLSA-N 1 0 284.306 3.061 20 5 CGBDRO CCCOc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978932 807545827 /nfs/dbraw/zinc/54/58/27/807545827.db2.gz VMGTZBPXAMPJIL-HUUCEWRRSA-N 1 0 292.379 3.010 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1C ZINC001168985357 807547236 /nfs/dbraw/zinc/54/72/36/807547236.db2.gz DPMNINNTZRZNPR-IJEWVQPXSA-N 1 0 276.380 3.481 20 5 CGBDRO CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006627 807550570 /nfs/dbraw/zinc/55/05/70/807550570.db2.gz IRORUWUFPFJPRY-CVEARBPZSA-N 1 0 276.380 3.342 20 5 CGBDRO C[N@H+](CCc1ccccc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037730 807556005 /nfs/dbraw/zinc/55/60/05/807556005.db2.gz TWXODCDUEHUBTQ-GXTWGEPZSA-N 1 0 296.798 3.260 20 5 CGBDRO CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040146 807556730 /nfs/dbraw/zinc/55/67/30/807556730.db2.gz YGQHAJYCZUMDRU-DZGCQCFKSA-N 1 0 280.343 3.093 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169048216 807558402 /nfs/dbraw/zinc/55/84/02/807558402.db2.gz TWSHPMMZJYIVQW-XGUBFFRZSA-N 1 0 266.385 3.086 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccnc1[N+](=O)[O-] ZINC001169699018 807691009 /nfs/dbraw/zinc/69/10/09/807691009.db2.gz SHPUJBKEZFETHK-ZDUSSCGKSA-N 1 0 298.346 3.230 20 5 CGBDRO CCC(CC)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170293502 807819113 /nfs/dbraw/zinc/81/91/13/807819113.db2.gz MCVOQHVUECMKMZ-LLVKDONJSA-N 1 0 280.368 3.313 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329403 807826394 /nfs/dbraw/zinc/82/63/94/807826394.db2.gz QDKVEXZUDOSMSC-NWDGAFQWSA-N 1 0 278.352 3.019 20 5 CGBDRO CC[C@H](C)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175883 808533165 /nfs/dbraw/zinc/53/31/65/808533165.db2.gz UMNPHJVURWAKHO-WDEREUQCSA-N 1 0 298.358 3.309 20 5 CGBDRO CCC[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181663 808533902 /nfs/dbraw/zinc/53/39/02/808533902.db2.gz DAYXXTFHHVVPSS-JTQLQIEISA-N 1 0 284.331 3.015 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH3+])c1 ZINC001173213808 808538467 /nfs/dbraw/zinc/53/84/67/808538467.db2.gz KPVICMLGGGLUNT-GFCCVEGCSA-N 1 0 285.347 3.097 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nccs1 ZINC001173215827 808539042 /nfs/dbraw/zinc/53/90/42/808539042.db2.gz FJKMXQSDYGSFIU-QWRGUYRKSA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(F)CCC1 ZINC001173223667 808539860 /nfs/dbraw/zinc/53/98/60/808539860.db2.gz KSRBVKLPDQVKDO-LLVKDONJSA-N 1 0 266.316 3.008 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CF)C1 ZINC001173228842 808541004 /nfs/dbraw/zinc/54/10/04/808541004.db2.gz ZKEYYIKFCDWFGZ-GXTWGEPZSA-N 1 0 280.343 3.207 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227565 808541556 /nfs/dbraw/zinc/54/15/56/808541556.db2.gz QWQODLHCSXYPBG-BBRMVZONSA-N 1 0 292.379 3.027 20 5 CGBDRO CSC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228437 808541589 /nfs/dbraw/zinc/54/15/89/808541589.db2.gz WTLAFBAZONGXDH-GFCCVEGCSA-N 1 0 294.420 3.353 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001173228995 808543172 /nfs/dbraw/zinc/54/31/72/808543172.db2.gz PNGVOIAGDLUHKT-LALPHHSUSA-N 1 0 280.343 3.206 20 5 CGBDRO C[C@H]1CCC[N@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001184839396 810221237 /nfs/dbraw/zinc/22/12/37/810221237.db2.gz IHEHRKDAPYUCII-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO CCC(CC)[NH2+]CCNc1ccc(C)cc1[N+](=O)[O-] ZINC001186888164 810371440 /nfs/dbraw/zinc/37/14/40/810371440.db2.gz HYRWUBAEKZGNOW-UHFFFAOYSA-N 1 0 265.357 3.093 20 5 CGBDRO Cc1ccc(-n2c(N)[nH+]c3c2cccc3C)c([N+](=O)[O-])c1 ZINC001214165329 815374964 /nfs/dbraw/zinc/37/49/64/815374964.db2.gz QSBAKNLHQRJHKY-UHFFFAOYSA-N 1 0 282.303 3.133 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001217956351 816016981 /nfs/dbraw/zinc/01/69/81/816016981.db2.gz PGDJVAMSNHUAOJ-KDYLLFBJSA-N 1 0 298.342 3.391 20 5 CGBDRO Cc1cc(O[C@H]2CCCC[NH2+]C2)c(C)c(C)c1[N+](=O)[O-] ZINC001217972875 816026053 /nfs/dbraw/zinc/02/60/53/816026053.db2.gz AAOAIIKVNDBGKF-ZDUSSCGKSA-N 1 0 278.352 3.041 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001217986246 816033950 /nfs/dbraw/zinc/03/39/50/816033950.db2.gz KWZNUXZYRAWJAC-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO c1ccc2nc3cc(O[C@@H]4CCC[NH2+]CC4)ccc3nc2c1 ZINC001217995609 816041551 /nfs/dbraw/zinc/04/15/51/816041551.db2.gz QMBOTXARPCXSEM-CYBMUJFWSA-N 1 0 293.370 3.304 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+][C@@H](C)C1 ZINC001218056824 816079207 /nfs/dbraw/zinc/07/92/07/816079207.db2.gz PKTYTMYEZXRCQE-VHSXEESVSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218124317 816108790 /nfs/dbraw/zinc/10/87/90/816108790.db2.gz RALRAHPUANDQQV-ZBFHGGJFSA-N 1 0 290.363 3.041 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001218183608 816118858 /nfs/dbraw/zinc/11/88/58/816118858.db2.gz WSTBMQIXHFXWKB-INIZCTEOSA-N 1 0 284.315 3.003 20 5 CGBDRO C[C@@H](Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C1C[NH2+]C1 ZINC001218198584 816124697 /nfs/dbraw/zinc/12/46/97/816124697.db2.gz NJVGYZRXLSHROG-GFCCVEGCSA-N 1 0 298.342 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c2ccccc21 ZINC001218246322 816139451 /nfs/dbraw/zinc/13/94/51/816139451.db2.gz MCZJKOZYBLQMQI-ZOWXZIJZSA-N 1 0 298.342 3.267 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CCC3(C[NH2+]C3)CC2)cc1Cl ZINC001218263814 816145335 /nfs/dbraw/zinc/14/53/35/816145335.db2.gz KWUAVRYNRDXAEY-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001218313950 816163218 /nfs/dbraw/zinc/16/32/18/816163218.db2.gz FKTKUTORBOGDGT-GFCCVEGCSA-N 1 0 284.743 3.015 20 5 CGBDRO CC(C)c1cccc(CO[C@@H](C)C[N+](C)(C)C)c1 ZINC001223948629 816709131 /nfs/dbraw/zinc/70/91/31/816709131.db2.gz NTIDFPIRCGMKAV-AWEZNQCLSA-N 1 0 250.406 3.421 20 5 CGBDRO C[C@@H](O[C@@H]1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027779 816724018 /nfs/dbraw/zinc/72/40/18/816724018.db2.gz XXYLRFGORIBMCF-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H](c1ccccc1)C1CCOCC1 ZINC001224623759 816834686 /nfs/dbraw/zinc/83/46/86/816834686.db2.gz QKSZRFYYWJLZED-SFHVURJKSA-N 1 0 292.443 3.267 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001224771364 816878548 /nfs/dbraw/zinc/87/85/48/816878548.db2.gz LJJWTLDAVKLFAM-LLVKDONJSA-N 1 0 276.322 3.489 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)cc1 ZINC001225257441 816983303 /nfs/dbraw/zinc/98/33/03/816983303.db2.gz KYPRSOHNERLTDZ-CYBMUJFWSA-N 1 0 250.406 3.458 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2s1 ZINC001225725115 817158712 /nfs/dbraw/zinc/15/87/12/817158712.db2.gz LPPPATKIXOAVRD-VIFPVBQESA-N 1 0 285.820 3.423 20 5 CGBDRO CCCc1ccc(NC(C)=O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001226501188 817377928 /nfs/dbraw/zinc/37/79/28/817377928.db2.gz WAUZUGRBEYEWIB-ZDUSSCGKSA-O 1 0 293.431 3.071 20 5 CGBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)c2ccccc12 ZINC001227752424 817713096 /nfs/dbraw/zinc/71/30/96/817713096.db2.gz JMUSNPPPDSNEFF-CYBMUJFWSA-N 1 0 274.384 3.322 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c(O)cccc12 ZINC001228101597 817812592 /nfs/dbraw/zinc/81/25/92/817812592.db2.gz DLNAYLPUCHJNBG-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC001228111646 817814731 /nfs/dbraw/zinc/81/47/31/817814731.db2.gz BWVJCIMUPHGGSC-HNNXBMFYSA-N 1 0 298.406 3.391 20 5 CGBDRO CC(=O)c1cc2cccc(O[C@H](C)C[N+](C)(C)C)c2o1 ZINC001228149929 817825214 /nfs/dbraw/zinc/82/52/14/817825214.db2.gz NNUPZBXNTALREB-LLVKDONJSA-N 1 0 276.356 3.109 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256440 817852511 /nfs/dbraw/zinc/85/25/11/817852511.db2.gz WQAIGZLPAHNHGJ-LBPRGKRZSA-N 1 0 284.743 3.110 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001228572384 817942934 /nfs/dbraw/zinc/94/29/34/817942934.db2.gz ZYPSTYSUUIEUFN-AWEZNQCLSA-N 1 0 278.352 3.073 20 5 CGBDRO CC[N@H+](C)Cc1ccc2ccc3cccnc3c2n1 ZINC001232218679 818282984 /nfs/dbraw/zinc/28/29/84/818282984.db2.gz DZJNGVPECWCEKU-UHFFFAOYSA-N 1 0 251.333 3.235 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cnc(Cl)cc2c1 ZINC001234859759 818936876 /nfs/dbraw/zinc/93/68/76/818936876.db2.gz IBJPPOXBWOWEAD-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO CCCc1ccc(O[C@H](C)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001234909079 818950811 /nfs/dbraw/zinc/95/08/11/818950811.db2.gz GOTGPLGKUHSJML-CYBMUJFWSA-N 1 0 278.416 3.315 20 5 CGBDRO C[NH2+]C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCCC1 ZINC001458555879 937468816 /nfs/dbraw/zinc/46/88/16/937468816.db2.gz UDVCPMRLJGBIBP-UHFFFAOYSA-N 1 0 299.321 3.207 20 5 CGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001460267003 937523574 /nfs/dbraw/zinc/52/35/74/937523574.db2.gz XKESUXWHFHCXRP-LSDHHAIUSA-N 1 0 292.379 3.388 20 5 CGBDRO Cc1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001230146484 932536945 /nfs/dbraw/zinc/53/69/45/932536945.db2.gz PSYJJNGLLNAVOR-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001307149249 932769343 /nfs/dbraw/zinc/76/93/43/932769343.db2.gz DEXVMINSWWIYBM-KBPBESRZSA-N 1 0 277.368 3.044 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001307616303 932977920 /nfs/dbraw/zinc/97/79/20/932977920.db2.gz JTJHRJOZYSMPQN-TZMCWYRMSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1c(C[N@@H+]2C[C@H]3CSC[C@@]3(C)C2)cccc1[N+](=O)[O-] ZINC001308134796 933055718 /nfs/dbraw/zinc/05/57/18/933055718.db2.gz SUSXRVDSNVSCIM-DZGCQCFKSA-N 1 0 292.404 3.088 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643610 934324734 /nfs/dbraw/zinc/32/47/34/934324734.db2.gz SHZUMUFELFFLGH-RCBQFDQVSA-N 1 0 291.395 3.118 20 5 CGBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC001333412755 935533710 /nfs/dbraw/zinc/53/37/10/935533710.db2.gz AYTUESNLVWDQJL-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO C[N@H+](CCCC(F)(F)F)CCc1ccccc1[N+](=O)[O-] ZINC001335018204 936125991 /nfs/dbraw/zinc/12/59/91/936125991.db2.gz NXBCXGWJZUWVSX-UHFFFAOYSA-N 1 0 290.285 3.412 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H]1C ZINC001335519534 936150728 /nfs/dbraw/zinc/15/07/28/936150728.db2.gz FQZWPKAQTYLJMS-OPQQBVKSSA-N 1 0 266.316 3.053 20 5 CGBDRO Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CC[N+](=O)[O-] ZINC001335781467 936160168 /nfs/dbraw/zinc/16/01/68/936160168.db2.gz RGUCOMTUNOSBJN-SNVBAGLBSA-N 1 0 291.376 3.046 20 5 CGBDRO O=[N+]([O-])c1cc(CNc2cc[nH+]cc2)cc(C(F)(F)F)c1 ZINC001336391794 936191426 /nfs/dbraw/zinc/19/14/26/936191426.db2.gz OBQCPLQKHPUTLB-UHFFFAOYSA-N 1 0 297.236 3.043 20 5 CGBDRO Cc1ccc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069014 938219751 /nfs/dbraw/zinc/21/97/51/938219751.db2.gz XGVGGQGKWYQFGV-UONOGXRCSA-N 1 0 291.395 3.436 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559913690 938238808 /nfs/dbraw/zinc/23/88/08/938238808.db2.gz RQZLVIAKRUENEV-ZDUSSCGKSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1c(C[NH2+]Cc2cccn2C(F)F)cccc1[N+](=O)[O-] ZINC001560755033 938274330 /nfs/dbraw/zinc/27/43/30/938274330.db2.gz YGKXZABNIHUKLP-UHFFFAOYSA-N 1 0 295.289 3.390 20 5 CGBDRO Cc1cc(C[NH3+])cc(Nc2c(F)cc([N+](=O)[O-])cc2F)c1 ZINC001579596540 962635715 /nfs/dbraw/zinc/63/57/15/962635715.db2.gz XDOKLZAACNSVEG-UHFFFAOYSA-N 1 0 293.273 3.384 20 5 CGBDRO CN(Cc1ccccc1[N+](=O)[O-])c1[nH+]ccc2[nH]ccc21 ZINC000590573673 346851624 /nfs/dbraw/zinc/85/16/24/346851624.db2.gz YTXFHUYNTLBRNK-UHFFFAOYSA-N 1 0 282.303 3.108 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCSC1)CCCC2 ZINC000591348354 346916912 /nfs/dbraw/zinc/91/69/12/346916912.db2.gz WSYBUXSCOFEKCD-DOMZBBRYSA-N 1 0 292.404 3.457 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178434267 529612411 /nfs/dbraw/zinc/61/24/11/529612411.db2.gz AZAUGNMLCOVMBP-GJZGRUSLSA-N 1 0 294.395 3.433 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592379678 346980898 /nfs/dbraw/zinc/98/08/98/346980898.db2.gz MXYPBSDBPGTAMC-SGMGOOAPSA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@H]1C ZINC000592397041 346984034 /nfs/dbraw/zinc/98/40/34/346984034.db2.gz CDGMXTKULFWEDB-DYEKYZERSA-N 1 0 294.420 3.400 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592399025 346984798 /nfs/dbraw/zinc/98/47/98/346984798.db2.gz LRHCBBFXNNCDRF-VQISRLSMSA-N 1 0 292.404 3.456 20 5 CGBDRO CC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCSC ZINC000592529321 346997931 /nfs/dbraw/zinc/99/79/31/346997931.db2.gz IVKRBNSODOXBER-VURMDHGXSA-N 1 0 280.393 3.293 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCCC1 ZINC000593111150 347040479 /nfs/dbraw/zinc/04/04/79/347040479.db2.gz DUGNDGZXUOIVHP-CQSZACIVSA-N 1 0 291.395 3.074 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC[NH+]1CCCCC1 ZINC000593111149 347040779 /nfs/dbraw/zinc/04/07/79/347040779.db2.gz DUGNDGZXUOIVHP-AWEZNQCLSA-N 1 0 291.395 3.074 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000593320972 347062425 /nfs/dbraw/zinc/06/24/25/347062425.db2.gz VWHBUJTXBWAKJM-WFASDCNBSA-N 1 0 297.358 3.282 20 5 CGBDRO CC[NH+]1CCC(CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000050352243 345081583 /nfs/dbraw/zinc/08/15/83/345081583.db2.gz KIQMNTGZXHOPAJ-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO C[N@H+](CCc1ccc(F)cc1)Cc1csc([N+](=O)[O-])c1 ZINC000055025116 345142037 /nfs/dbraw/zinc/14/20/37/345142037.db2.gz JUIJHMVAZISSEH-UHFFFAOYSA-N 1 0 294.351 3.470 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000090085158 345780721 /nfs/dbraw/zinc/78/07/21/345780721.db2.gz RLNNMYKUAVEWKB-AAEUAGOBSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000125368659 346016670 /nfs/dbraw/zinc/01/66/70/346016670.db2.gz APLVJCFOHVHBFQ-LBPRGKRZSA-N 1 0 280.368 3.245 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000135459093 346088075 /nfs/dbraw/zinc/08/80/75/346088075.db2.gz LDBNJGAAPMKCFS-NSHDSACASA-N 1 0 272.304 3.151 20 5 CGBDRO C[C@]1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCCS1 ZINC000155639465 346154707 /nfs/dbraw/zinc/15/47/07/346154707.db2.gz KFHSEBOSANYQPB-CQSZACIVSA-N 1 0 280.393 3.013 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000311902934 346475217 /nfs/dbraw/zinc/47/52/17/346475217.db2.gz QCZLOAHRFICRFH-LOWVWBTDSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000311902927 346475611 /nfs/dbraw/zinc/47/56/11/346475611.db2.gz QCZLOAHRFICRFH-GVXVVHGQSA-N 1 0 280.393 3.448 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1 ZINC000403456706 346596733 /nfs/dbraw/zinc/59/67/33/346596733.db2.gz HFIUCLDDWVLHAL-MCIONIFRSA-N 1 0 260.337 3.121 20 5 CGBDRO COc1ccc(C[N@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000339260721 215046700 /nfs/dbraw/zinc/04/67/00/215046700.db2.gz GYZDHTWPSTWHJU-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000589350910 346795035 /nfs/dbraw/zinc/79/50/35/346795035.db2.gz BQXFTRHYUVJUAO-WBMJQRKESA-N 1 0 292.379 3.105 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496260 346798143 /nfs/dbraw/zinc/79/81/43/346798143.db2.gz BTTBUEVIOYMHDT-NSHDSACASA-N 1 0 294.351 3.002 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594045581 347143920 /nfs/dbraw/zinc/14/39/20/347143920.db2.gz ZJPNFGHMOVYGIZ-ZFWWWQNUSA-N 1 0 278.352 3.032 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594597024 347198454 /nfs/dbraw/zinc/19/84/54/347198454.db2.gz CBMXXBIYZWXLHX-HUUCEWRRSA-N 1 0 275.352 3.024 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594499150 347180231 /nfs/dbraw/zinc/18/02/31/347180231.db2.gz ATVPERXQPRDDRV-OAHLLOKOSA-N 1 0 283.331 3.075 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000594509665 347182448 /nfs/dbraw/zinc/18/24/48/347182448.db2.gz YJGPXNUDDCFCCX-BLTAXRJOSA-N 1 0 272.348 3.360 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2=CCCC2)c1 ZINC000594990978 347249951 /nfs/dbraw/zinc/24/99/51/347249951.db2.gz WLRDUZLHXUQAEY-UHFFFAOYSA-N 1 0 298.289 3.396 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594733098 347214927 /nfs/dbraw/zinc/21/49/27/347214927.db2.gz XNZUTLLSCBSUEW-BXKDBHETSA-N 1 0 270.279 3.291 20 5 CGBDRO COCc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000594924633 347230902 /nfs/dbraw/zinc/23/09/02/347230902.db2.gz KJZUQOGWPGHUEB-UHFFFAOYSA-N 1 0 292.360 3.093 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1COC(C)(C)C1 ZINC000594961099 347242152 /nfs/dbraw/zinc/24/21/52/347242152.db2.gz FEHYKCYYGVTXBV-YRBHFNIASA-N 1 0 290.363 3.155 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000594974665 347246273 /nfs/dbraw/zinc/24/62/73/347246273.db2.gz DWFPQEVKJNYUTL-IPYPFGDCSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000594975378 347246792 /nfs/dbraw/zinc/24/67/92/347246792.db2.gz TXVSZJXDIGUHJR-SDDRHHMPSA-N 1 0 266.366 3.182 20 5 CGBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594985423 347249191 /nfs/dbraw/zinc/24/91/91/347249191.db2.gz MFVDWCJNDNPLGM-RYWCDNDXSA-N 1 0 282.290 3.243 20 5 CGBDRO CCCC[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595287134 347286807 /nfs/dbraw/zinc/28/68/07/347286807.db2.gz BLUPYVUJOALART-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1(C)CC1 ZINC000595337898 347294117 /nfs/dbraw/zinc/29/41/17/347294117.db2.gz CVOQPXSZMZZUNW-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000595413633 347299311 /nfs/dbraw/zinc/29/93/11/347299311.db2.gz DLTSYNGFUDJMSY-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC1(C)C ZINC000595023400 347260328 /nfs/dbraw/zinc/26/03/28/347260328.db2.gz QPBMWQBTNRUELX-RNCFNFMXSA-N 1 0 264.325 3.053 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000595035915 347264890 /nfs/dbraw/zinc/26/48/90/347264890.db2.gz NKRSEAIGILTZMA-LLVKDONJSA-N 1 0 290.363 3.444 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000595041538 347267131 /nfs/dbraw/zinc/26/71/31/347267131.db2.gz BDMFCCHYRYUWBS-ZDEQEGDKSA-N 1 0 290.363 3.443 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595041676 347267230 /nfs/dbraw/zinc/26/72/30/347267230.db2.gz NWZNHTTYOGYJJH-YPMHNXCESA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595079184 347279032 /nfs/dbraw/zinc/27/90/32/347279032.db2.gz ILPVJRXIBBZNHT-BXKDBHETSA-N 1 0 270.279 3.291 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(C)(C)F ZINC000595082592 347279873 /nfs/dbraw/zinc/27/98/73/347279873.db2.gz BBTCLGYFAGNIBZ-SNVBAGLBSA-N 1 0 284.331 3.392 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595087828 347280467 /nfs/dbraw/zinc/28/04/67/347280467.db2.gz FEUYISDBSYZJJT-CZUORRHYSA-N 1 0 292.379 3.044 20 5 CGBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595429440 347302379 /nfs/dbraw/zinc/30/23/79/347302379.db2.gz NSOAVNLDZCDJEU-RYUDHWBXSA-N 1 0 281.356 3.196 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000595450597 347305078 /nfs/dbraw/zinc/30/50/78/347305078.db2.gz VAHSHNZDJOMXJO-GWCFXTLKSA-N 1 0 264.300 3.108 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CC=CC1 ZINC000595483909 347310137 /nfs/dbraw/zinc/31/01/37/347310137.db2.gz JGTNLHWZUPWZHA-UHFFFAOYSA-N 1 0 260.337 3.035 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(C2CC2)CC1 ZINC000595501546 347312386 /nfs/dbraw/zinc/31/23/86/347312386.db2.gz MGLINUXHJAHHNU-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000596114182 347384827 /nfs/dbraw/zinc/38/48/27/347384827.db2.gz JQPZLDZDPXZADE-ZDUSSCGKSA-N 1 0 299.321 3.285 20 5 CGBDRO Cc1cc(NCCc2ccncc2C)c([N+](=O)[O-])s1 ZINC000596173880 347394681 /nfs/dbraw/zinc/39/46/81/347394681.db2.gz BKLVFMUELHLOKR-UHFFFAOYSA-N 1 0 277.349 3.323 20 5 CGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(N)c2)cccc1[N+](=O)[O-] ZINC000596650242 347498387 /nfs/dbraw/zinc/49/83/87/347498387.db2.gz KGJYSKVSVLQGBS-LBPRGKRZSA-N 1 0 285.347 3.336 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597059651 347532392 /nfs/dbraw/zinc/53/23/92/347532392.db2.gz NCQPZQNGATZJFY-HZUKXOBISA-N 1 0 290.363 3.121 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CC1(F)F ZINC000598675943 347677749 /nfs/dbraw/zinc/67/77/49/347677749.db2.gz AZRAOIITCKRVLJ-BXKDBHETSA-N 1 0 282.290 3.217 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000599074594 347715111 /nfs/dbraw/zinc/71/51/11/347715111.db2.gz XBSORASFNOKCGE-DFBGVHRSSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599551465 347753851 /nfs/dbraw/zinc/75/38/51/347753851.db2.gz NGJPYFAGJBMITK-UHFFFAOYSA-N 1 0 284.306 3.259 20 5 CGBDRO Cc1ccc(-c2ccc([C@H]3C[NH2+]CCO3)cc2)cc1[N+](=O)[O-] ZINC000600792463 347837409 /nfs/dbraw/zinc/83/74/09/347837409.db2.gz YGSKUARDPJJRJG-QGZVFWFLSA-N 1 0 298.342 3.231 20 5 CGBDRO CC[NH+](CC)CCCCNc1ccsc1[N+](=O)[O-] ZINC000601109793 347870298 /nfs/dbraw/zinc/87/02/98/347870298.db2.gz ZSNCZVKOWHGNNY-UHFFFAOYSA-N 1 0 271.386 3.190 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306452 347890517 /nfs/dbraw/zinc/89/05/17/347890517.db2.gz IXRDKBTZJOEXCC-GMTAPVOTSA-N 1 0 286.253 3.123 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1[N+](=O)[O-] ZINC000601942104 347927150 /nfs/dbraw/zinc/92/71/50/347927150.db2.gz QYQXWZDYRCZNBD-VXGBXAGGSA-N 1 0 278.352 3.061 20 5 CGBDRO CC1(C)CC(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602628142 347996725 /nfs/dbraw/zinc/99/67/25/347996725.db2.gz HWXYTKGNPDNGJD-UHFFFAOYSA-N 1 0 289.335 3.262 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCSCC1 ZINC000602648913 348000823 /nfs/dbraw/zinc/00/08/23/348000823.db2.gz DPVQVOMRYQIWDT-UHFFFAOYSA-N 1 0 294.420 3.212 20 5 CGBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)sn1 ZINC000602659088 348002755 /nfs/dbraw/zinc/00/27/55/348002755.db2.gz NAKAEVJIUXYHGV-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO C[C@@H](F)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602675562 348006845 /nfs/dbraw/zinc/00/68/45/348006845.db2.gz MGQDTASFTUZKDK-MRVPVSSYSA-N 1 0 294.248 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CC4(CCC4)C3)nc2c1 ZINC000602704759 348013379 /nfs/dbraw/zinc/01/33/79/348013379.db2.gz IBMGNRJWKMDNAI-UHFFFAOYSA-N 1 0 287.319 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ccc(O)cc32)cc1 ZINC000602717733 348016658 /nfs/dbraw/zinc/01/66/58/348016658.db2.gz NUPCFSWQSCLWHA-QGZVFWFLSA-N 1 0 298.342 3.120 20 5 CGBDRO Cc1occc1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000608836600 348332423 /nfs/dbraw/zinc/33/24/23/348332423.db2.gz XGMNCNMPJSPTGF-GQCTYLIASA-N 1 0 272.304 3.299 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000609145721 348337690 /nfs/dbraw/zinc/33/76/90/348337690.db2.gz USCGKTVDPOJBHL-CYBMUJFWSA-N 1 0 264.300 3.108 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000609539999 348346281 /nfs/dbraw/zinc/34/62/81/348346281.db2.gz NTHGHCGVAMPEAE-LLVKDONJSA-N 1 0 290.294 3.316 20 5 CGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000610215442 348367445 /nfs/dbraw/zinc/36/74/45/348367445.db2.gz SLACGJQKOSOMAA-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+](Cc2ccc(O)cc2)C2CC2)c1 ZINC000610000926 348360259 /nfs/dbraw/zinc/36/02/59/348360259.db2.gz CBHZTBZDAIUJJJ-UHFFFAOYSA-N 1 0 298.342 3.465 20 5 CGBDRO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610517722 348387473 /nfs/dbraw/zinc/38/74/73/348387473.db2.gz KVIOOEPQJIBEKS-YVZNUBBCSA-N 1 0 297.358 3.396 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610832619 348405941 /nfs/dbraw/zinc/40/59/41/348405941.db2.gz WJHHZQWKCXWAKQ-AGIUHOORSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(Cc3ccccc3)C2)cc1 ZINC000611177985 348426392 /nfs/dbraw/zinc/42/63/92/348426392.db2.gz JDXXNJDAHKWSEK-UHFFFAOYSA-N 1 0 296.370 3.312 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C(C(C)C)C(C)C ZINC000611434349 348451804 /nfs/dbraw/zinc/45/18/04/348451804.db2.gz LZCAJBMRTRBUOO-UHFFFAOYSA-N 1 0 280.368 3.374 20 5 CGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501826 348456778 /nfs/dbraw/zinc/45/67/78/348456778.db2.gz ISNLZLBFDPWXEN-IUODEOHRSA-N 1 0 296.342 3.044 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCc1nccs1 ZINC000273431662 192147218 /nfs/dbraw/zinc/14/72/18/192147218.db2.gz UBNCEUYQKQIURC-UHFFFAOYSA-N 1 0 291.376 3.082 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000351970703 219271839 /nfs/dbraw/zinc/27/18/39/219271839.db2.gz HPFLXNAMWOOREV-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC(C)C ZINC000612576459 348529854 /nfs/dbraw/zinc/52/98/54/348529854.db2.gz BZFZPYGSTVLMJV-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCOCC3(CCCC3)C2)cs1 ZINC000614222619 348659808 /nfs/dbraw/zinc/65/98/08/348659808.db2.gz MKUOBBJIYRVOIJ-UHFFFAOYSA-N 1 0 296.392 3.049 20 5 CGBDRO C[C@@H]([NH2+]CC1(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000359001977 233236880 /nfs/dbraw/zinc/23/68/80/233236880.db2.gz NKXFAKBKNHNMPN-SECBINFHSA-N 1 0 270.279 3.291 20 5 CGBDRO C[C@H]([NH2+]CC1(C(F)F)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000359001978 233236992 /nfs/dbraw/zinc/23/69/92/233236992.db2.gz NKXFAKBKNHNMPN-VIFPVBQESA-N 1 0 270.279 3.291 20 5 CGBDRO COc1ccsc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000359795691 233377808 /nfs/dbraw/zinc/37/78/08/233377808.db2.gz CZLDFGXUSWWSBB-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000271423301 191129369 /nfs/dbraw/zinc/12/93/69/191129369.db2.gz CFJXZCUCEMHZOB-SNVBAGLBSA-N 1 0 264.325 3.197 20 5 CGBDRO COCC(C)(C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000292100883 198163482 /nfs/dbraw/zinc/16/34/82/198163482.db2.gz HYONREXLPXNYBI-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO C[C@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000152758789 188041466 /nfs/dbraw/zinc/04/14/66/188041466.db2.gz FODJCWYJTABSGS-CQSZACIVSA-N 1 0 298.408 3.077 20 5 CGBDRO CC(C)([NH2+]C[C@@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000292726877 198390569 /nfs/dbraw/zinc/39/05/69/198390569.db2.gz FYAOAKATERXUMT-LBPRGKRZSA-N 1 0 276.336 3.112 20 5 CGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271884075 191388089 /nfs/dbraw/zinc/38/80/89/191388089.db2.gz QITCIYKISYHYBU-IUODEOHRSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CS[C@H](C)C1 ZINC000414230727 235369732 /nfs/dbraw/zinc/36/97/32/235369732.db2.gz OFHHNDKMNLDFCJ-NQBHXWOUSA-N 1 0 280.393 3.009 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414291244 235380596 /nfs/dbraw/zinc/38/05/96/235380596.db2.gz XPNYQZCWVOBOAF-CABNGKKXSA-N 1 0 292.379 3.367 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000421351113 235804662 /nfs/dbraw/zinc/80/46/62/235804662.db2.gz LSPLBVSOURBCEM-ZDUSSCGKSA-N 1 0 292.404 3.218 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000314401697 138587935 /nfs/dbraw/zinc/58/79/35/138587935.db2.gz FBDHXAVXPCIPJT-MELADBBJSA-N 1 0 292.379 3.044 20 5 CGBDRO CCSCC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803962 199189929 /nfs/dbraw/zinc/18/99/29/199189929.db2.gz PCPGNJVPULYZIH-QWRGUYRKSA-N 1 0 297.424 3.359 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000341133890 215845222 /nfs/dbraw/zinc/84/52/22/215845222.db2.gz XBOZAMYGKVYISR-RYUDHWBXSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341546657 216007597 /nfs/dbraw/zinc/00/75/97/216007597.db2.gz LCEWHPZERGBJGN-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341886974 216138839 /nfs/dbraw/zinc/13/88/39/216138839.db2.gz YOSHUOGUYKMXLS-CWRNSKLLSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000342081270 216211777 /nfs/dbraw/zinc/21/17/77/216211777.db2.gz WDXXWZMHJUVSKW-IYNGYCSASA-N 1 0 283.331 3.354 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000179394123 189191193 /nfs/dbraw/zinc/19/11/93/189191193.db2.gz CWIGAKRZOCJVKK-MNOVXSKESA-N 1 0 278.352 3.443 20 5 CGBDRO CC(C)OCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180458099 189256523 /nfs/dbraw/zinc/25/65/23/189256523.db2.gz VSLAEFUWZYZAOC-ZDUSSCGKSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000181488277 189297846 /nfs/dbraw/zinc/29/78/46/189297846.db2.gz DGJMITHVZRHRRO-CYBMUJFWSA-N 1 0 285.347 3.273 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC2=CCCOC2)cc1[N+](=O)[O-] ZINC000342315537 216307074 /nfs/dbraw/zinc/30/70/74/216307074.db2.gz MOFUFQJGKDWFCM-UHFFFAOYSA-N 1 0 290.363 3.155 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000301529620 201049496 /nfs/dbraw/zinc/04/94/96/201049496.db2.gz OTIRKPYDFFAPBL-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000301505809 201034257 /nfs/dbraw/zinc/03/42/57/201034257.db2.gz CRMSLPNDDTVBOA-QWHCGFSZSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301597396 201090190 /nfs/dbraw/zinc/09/01/90/201090190.db2.gz SRQUIOLQYZKUSK-CHWSQXEVSA-N 1 0 277.368 3.188 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301597351 201090236 /nfs/dbraw/zinc/09/02/36/201090236.db2.gz GTRRGQFLZWYYKN-GFCCVEGCSA-N 1 0 295.358 3.124 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000301580936 201078636 /nfs/dbraw/zinc/07/86/36/201078636.db2.gz SUUOZGNITSMGAV-ZDUSSCGKSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182551493 189327131 /nfs/dbraw/zinc/32/71/31/189327131.db2.gz HKOYHSUETJFLGM-NSHDSACASA-N 1 0 292.360 3.386 20 5 CGBDRO C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000301778220 201191948 /nfs/dbraw/zinc/19/19/48/201191948.db2.gz IFMALEPYYOHLHJ-UHFFFAOYSA-N 1 0 277.368 3.127 20 5 CGBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000301998007 201292557 /nfs/dbraw/zinc/29/25/57/201292557.db2.gz QLOJARRBYNVWCR-IAGOWNOFSA-N 1 0 297.358 3.452 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1C ZINC000449134134 239199537 /nfs/dbraw/zinc/19/95/37/239199537.db2.gz HCNXELXODADCEL-OUCADQQQSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(F)(F)F ZINC000449257454 239273907 /nfs/dbraw/zinc/27/39/07/239273907.db2.gz LXMQCDPVCAMWAI-VHSXEESVSA-N 1 0 290.285 3.314 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)F)CC1 ZINC000449293287 239296863 /nfs/dbraw/zinc/29/68/63/239296863.db2.gz GTLTUIOHIITZDG-SNVBAGLBSA-N 1 0 284.306 3.161 20 5 CGBDRO Cn1ccc(C[N@@H+]2CCC[C@H](c3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000449505731 239483135 /nfs/dbraw/zinc/48/31/35/239483135.db2.gz XLKOSEKHIFLRAF-INIZCTEOSA-N 1 0 299.374 3.313 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218843494 376190329 /nfs/dbraw/zinc/19/03/29/376190329.db2.gz YULNUWALMGRZPE-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000459682998 242180981 /nfs/dbraw/zinc/18/09/81/242180981.db2.gz ZAADWLBMVHIIMQ-MRXNPFEDSA-N 1 0 292.379 3.294 20 5 CGBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000459682997 242182608 /nfs/dbraw/zinc/18/26/08/242182608.db2.gz ZAADWLBMVHIIMQ-INIZCTEOSA-N 1 0 292.379 3.294 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC(C)(C)C1 ZINC000459748486 242207918 /nfs/dbraw/zinc/20/79/18/242207918.db2.gz XERYTGAZNWBQQH-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000459774848 242226283 /nfs/dbraw/zinc/22/62/83/242226283.db2.gz JOFAAASEZPVVRC-HZSPNIEDSA-N 1 0 290.363 3.272 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)nc2c1 ZINC000459791781 242234804 /nfs/dbraw/zinc/23/48/04/242234804.db2.gz SZCOLXGFPJLNDL-USWWRNFRSA-N 1 0 287.319 3.014 20 5 CGBDRO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959058 242320034 /nfs/dbraw/zinc/32/00/34/242320034.db2.gz RUKMRZRIEKVZJT-MNOVXSKESA-N 1 0 293.342 3.079 20 5 CGBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000478299173 243072526 /nfs/dbraw/zinc/07/25/26/243072526.db2.gz AXORLMYIVKOSRL-UHFFFAOYSA-N 1 0 298.358 3.155 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000481190437 243181891 /nfs/dbraw/zinc/18/18/91/243181891.db2.gz OQLJJLVJXNRRJW-MCIONIFRSA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000481185857 243182948 /nfs/dbraw/zinc/18/29/48/243182948.db2.gz UZGQVJRDDVPYLK-RDBSUJKOSA-N 1 0 292.379 3.388 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@H+](CC2CC2)C2CCC2)cc1 ZINC000483305550 243276339 /nfs/dbraw/zinc/27/63/39/243276339.db2.gz IAJOWSBHQBCRES-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020035370 368794905 /nfs/dbraw/zinc/79/49/05/368794905.db2.gz OAHBVIRILQTCKV-GFCCVEGCSA-N 1 0 256.305 3.446 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000020088461 368798888 /nfs/dbraw/zinc/79/88/88/368798888.db2.gz ATYBFKJDRLHJBD-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738476 369102347 /nfs/dbraw/zinc/10/23/47/369102347.db2.gz NMNNHYURAIPRBE-DOMZBBRYSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@@H](NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010406 369050382 /nfs/dbraw/zinc/05/03/82/369050382.db2.gz QRNOCKIKADUDCH-OAHLLOKOSA-N 1 0 293.411 3.223 20 5 CGBDRO Cc1ncsc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000066565662 369697440 /nfs/dbraw/zinc/69/74/40/369697440.db2.gz HGHJUUXPFHKUPU-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO CSCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000069443480 369760670 /nfs/dbraw/zinc/76/06/70/369760670.db2.gz BWPAUGYMQYNUFM-UHFFFAOYSA-N 1 0 274.773 3.091 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090716398 370064589 /nfs/dbraw/zinc/06/45/89/370064589.db2.gz CRYMHVLGJFBHPU-CVEARBPZSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCS1 ZINC000093502142 370135886 /nfs/dbraw/zinc/13/58/86/370135886.db2.gz YPQCQEZPTPRXKA-ZDUSSCGKSA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1ccsc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111158597 370392735 /nfs/dbraw/zinc/39/27/35/370392735.db2.gz BNEKKMHLDURSPT-UHFFFAOYSA-N 1 0 268.363 3.316 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000512210819 245026371 /nfs/dbraw/zinc/02/63/71/245026371.db2.gz WUNLCZRSXICCTH-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCCCO2)C2CC2)cc1 ZINC000129994776 371008913 /nfs/dbraw/zinc/00/89/13/371008913.db2.gz PSAQCJUAMAIRAI-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCc2cccnc2)cccc1[N+](=O)[O-] ZINC000133499859 371256221 /nfs/dbraw/zinc/25/62/21/371256221.db2.gz PUNCIFWEHRTBAA-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC000337304837 376205171 /nfs/dbraw/zinc/20/51/71/376205171.db2.gz QYCCEQOKTXKYOO-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cscn1 ZINC000134853194 371369187 /nfs/dbraw/zinc/36/91/87/371369187.db2.gz DYISEQPWPRWLNN-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO COC1([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000421838857 371661212 /nfs/dbraw/zinc/66/12/12/371661212.db2.gz VZJXIGXRTVBZOW-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153218906 371756397 /nfs/dbraw/zinc/75/63/97/371756397.db2.gz VEBUNMYGNQMYBT-CHWSQXEVSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153458987 371770734 /nfs/dbraw/zinc/77/07/34/371770734.db2.gz RVKMSGFAWREKEE-SNVBAGLBSA-N 1 0 290.294 3.290 20 5 CGBDRO Cc1c([C@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000290229746 371940775 /nfs/dbraw/zinc/94/07/75/371940775.db2.gz RNQLAHLHCLHFSD-OCCSQVGLSA-N 1 0 293.411 3.283 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000290126655 371911782 /nfs/dbraw/zinc/91/17/82/371911782.db2.gz JSFUKXKSAZRAHS-GRYCIOLGSA-N 1 0 296.367 3.068 20 5 CGBDRO CCN(CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000155854142 371948274 /nfs/dbraw/zinc/94/82/74/371948274.db2.gz PTOCFCRLDVYCFA-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1ccc([C@@H](C)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423182588 372010589 /nfs/dbraw/zinc/01/05/89/372010589.db2.gz QLPKOMNIVNRUMY-CYBMUJFWSA-N 1 0 291.395 3.215 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000161292641 372314604 /nfs/dbraw/zinc/31/46/04/372314604.db2.gz AVTHSPYSXILQPB-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ccoc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000429369903 372358491 /nfs/dbraw/zinc/35/84/91/372358491.db2.gz SVSVIHHDKUUWFY-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163828890 372494358 /nfs/dbraw/zinc/49/43/58/372494358.db2.gz MRWIVJDNWHVWSY-RBOXIYTFSA-N 1 0 294.395 3.351 20 5 CGBDRO CCCCOCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293941473 372531883 /nfs/dbraw/zinc/53/18/83/372531883.db2.gz YRSGHPOSEPECHP-LBPRGKRZSA-N 1 0 295.383 3.034 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000168685879 372617386 /nfs/dbraw/zinc/61/73/86/372617386.db2.gz WMEIALCFEMSMBB-YPMHNXCESA-N 1 0 280.393 3.449 20 5 CGBDRO CC(F)(F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000294267982 372633169 /nfs/dbraw/zinc/63/31/69/372633169.db2.gz RNHLLCHDYRTMJC-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295045711 372689078 /nfs/dbraw/zinc/68/90/78/372689078.db2.gz PVYPIZFNOLFKDZ-LSDHHAIUSA-N 1 0 292.379 3.111 20 5 CGBDRO Cc1cnccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000295942852 372966512 /nfs/dbraw/zinc/96/65/12/372966512.db2.gz GMUDFPSJFFWDMZ-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC(C)(F)F ZINC000295942883 372968318 /nfs/dbraw/zinc/96/83/18/372968318.db2.gz GNFRDYJVGILMQQ-UHFFFAOYSA-N 1 0 272.295 3.428 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC(F)(F)C2)cs1 ZINC000344777107 217307598 /nfs/dbraw/zinc/30/75/98/217307598.db2.gz RPRPSZFMPRKCLF-SECBINFHSA-N 1 0 276.308 3.324 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000441441151 373012369 /nfs/dbraw/zinc/01/23/69/373012369.db2.gz AUYCOONTPSTTSQ-XJKSGUPXSA-N 1 0 290.363 3.238 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCOC1 ZINC000344820016 217321549 /nfs/dbraw/zinc/32/15/49/217321549.db2.gz WJDNPPUFWSIMTH-XXYUJHKVSA-N 1 0 290.363 3.014 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1 ZINC000344851132 217332903 /nfs/dbraw/zinc/33/29/03/217332903.db2.gz KSQIIUBVFVNFQB-MDWZMJQESA-N 1 0 283.331 3.183 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000296468163 373144499 /nfs/dbraw/zinc/14/44/99/373144499.db2.gz NPVVRSVSPAWTCS-FZMZJTMJSA-N 1 0 280.368 3.185 20 5 CGBDRO CC(C)[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000444769617 373267366 /nfs/dbraw/zinc/26/73/66/373267366.db2.gz ISXWFEGERNKXAI-CQSZACIVSA-N 1 0 292.379 3.342 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000539059012 288601462 /nfs/dbraw/zinc/60/14/62/288601462.db2.gz OQKGJDVNDUDZLP-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000177200642 373663008 /nfs/dbraw/zinc/66/30/08/373663008.db2.gz CKXYSBIBAHAPKK-LSDHHAIUSA-N 1 0 292.404 3.455 20 5 CGBDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000449492469 373784793 /nfs/dbraw/zinc/78/47/93/373784793.db2.gz JKJZZEZIOFUORV-DGCLKSJQSA-N 1 0 298.408 3.197 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000449496828 373792575 /nfs/dbraw/zinc/79/25/75/373792575.db2.gz HPROMHCTDNGDMC-INIZCTEOSA-N 1 0 297.358 3.369 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180256293 373982511 /nfs/dbraw/zinc/98/25/11/373982511.db2.gz WFBHXIXKGLXXMS-SWLSCSKDSA-N 1 0 278.352 3.205 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000308715861 374176289 /nfs/dbraw/zinc/17/62/89/374176289.db2.gz BCWAZRADCZOAGP-LBPRGKRZSA-N 1 0 280.368 3.451 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452085437 374231446 /nfs/dbraw/zinc/23/14/46/374231446.db2.gz NVAQDYZIEBCTBH-AWEZNQCLSA-N 1 0 292.379 3.152 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311879748 374260315 /nfs/dbraw/zinc/26/03/15/374260315.db2.gz MUVWHUXCSQEQST-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000453360116 374447940 /nfs/dbraw/zinc/44/79/40/374447940.db2.gz KGEJDYDDRXKZLT-HSMVNMDESA-N 1 0 292.379 3.367 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331161071 374509801 /nfs/dbraw/zinc/50/98/01/374509801.db2.gz LBDIGSMVPISYPJ-LBPRGKRZSA-N 1 0 278.352 3.368 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331184526 374511569 /nfs/dbraw/zinc/51/15/69/374511569.db2.gz SKRRTOZQKZECRZ-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2CC)ccc1[N+](=O)[O-] ZINC000331185657 374511881 /nfs/dbraw/zinc/51/18/81/374511881.db2.gz SXTCXPHUYXDXSG-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000331179502 374512082 /nfs/dbraw/zinc/51/20/82/374512082.db2.gz QOQYFMYVRNMVHV-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332291226 374565884 /nfs/dbraw/zinc/56/58/84/374565884.db2.gz YCLPVSXXNQRHEC-NSHDSACASA-N 1 0 288.351 3.236 20 5 CGBDRO C[C@@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000472278010 375016388 /nfs/dbraw/zinc/01/63/88/375016388.db2.gz PLTLHNLZFZQTTD-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191208774 375596606 /nfs/dbraw/zinc/59/66/06/375596606.db2.gz QFAYUHDOGHWHEG-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000191061715 375569443 /nfs/dbraw/zinc/56/94/43/375569443.db2.gz LCXNMPSDDFIGJT-GLQYFDAESA-N 1 0 278.352 3.203 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191656506 375647168 /nfs/dbraw/zinc/64/71/68/375647168.db2.gz KRVZRIQWWBQRDJ-HUBLWGQQSA-N 1 0 280.368 3.449 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000507157892 375680470 /nfs/dbraw/zinc/68/04/70/375680470.db2.gz YDOZKFKSOGWQIJ-CYBMUJFWSA-N 1 0 260.337 3.383 20 5 CGBDRO CCC(CC)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000536669009 376118058 /nfs/dbraw/zinc/11/80/58/376118058.db2.gz WTPPLECOTBPIFP-UHFFFAOYSA-N 1 0 262.353 3.389 20 5 CGBDRO CCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC ZINC000536673553 376119130 /nfs/dbraw/zinc/11/91/30/376119130.db2.gz LDJAELBJMDEUTF-VQHVLOKHSA-N 1 0 292.379 3.357 20 5 CGBDRO CCOC1CC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000224432863 376280887 /nfs/dbraw/zinc/28/08/87/376280887.db2.gz UBEINPLCOOTONY-XGNXJENSSA-N 1 0 278.352 3.121 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000224511494 376284292 /nfs/dbraw/zinc/28/42/92/376284292.db2.gz FBCIZHBGZUKRPO-LEWSCRJBSA-N 1 0 278.352 3.059 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000542252105 376524110 /nfs/dbraw/zinc/52/41/10/376524110.db2.gz VFGQGQJLLUFKAX-GFCCVEGCSA-N 1 0 292.379 3.471 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1(C)CCC1 ZINC000338955387 376600904 /nfs/dbraw/zinc/60/09/04/376600904.db2.gz NIKQKTCZLOBHPT-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000339004461 376623497 /nfs/dbraw/zinc/62/34/97/376623497.db2.gz WVVBUFXMFPLKCC-CHWSQXEVSA-N 1 0 277.368 3.270 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)c(F)c1 ZINC000339683630 376808702 /nfs/dbraw/zinc/80/87/02/376808702.db2.gz NXAUDAMDYHCQST-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1ccc(C[N@H+]2CCS[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245787161 376908034 /nfs/dbraw/zinc/90/80/34/376908034.db2.gz VKWQACGFJMQDRA-VXGBXAGGSA-N 1 0 280.393 3.229 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000558414093 377004854 /nfs/dbraw/zinc/00/48/54/377004854.db2.gz WSPFGIONXLVJIF-RCBBPTIPSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000340448552 377065600 /nfs/dbraw/zinc/06/56/00/377065600.db2.gz MYRKIKPZGSVGGQ-QWRGUYRKSA-N 1 0 287.319 3.107 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000340492579 377099272 /nfs/dbraw/zinc/09/92/72/377099272.db2.gz RDOBLRBVUIXQLQ-CVEARBPZSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000340492587 377100716 /nfs/dbraw/zinc/10/07/16/377100716.db2.gz RDOBLRBVUIXQLQ-JKSUJKDBSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000560882339 377198219 /nfs/dbraw/zinc/19/82/19/377198219.db2.gz KUZHEARPYNPJCU-MJBXVCDLSA-N 1 0 292.379 3.105 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248997191 377441767 /nfs/dbraw/zinc/44/17/67/377441767.db2.gz GYAJHOWOTIGZCT-RWMBFGLXSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000341107805 377401699 /nfs/dbraw/zinc/40/16/99/377401699.db2.gz SAJYWOPBJVCVJP-VXGBXAGGSA-N 1 0 295.358 3.409 20 5 CGBDRO Cc1cc(NCC2([NH+](C)C)CCCC2)c(F)cc1[N+](=O)[O-] ZINC000314338325 249095287 /nfs/dbraw/zinc/09/52/87/249095287.db2.gz LCCOFRXZMPVUGX-UHFFFAOYSA-N 1 0 295.358 3.329 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000515544126 249215010 /nfs/dbraw/zinc/21/50/10/249215010.db2.gz BOEPZBZZUOKMMM-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO Cc1ccnc([C@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000517038790 249255519 /nfs/dbraw/zinc/25/55/19/249255519.db2.gz NHZNXGOYNYMGKZ-HNNXBMFYSA-N 1 0 297.358 3.288 20 5 CGBDRO COC1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574926589 377726500 /nfs/dbraw/zinc/72/65/00/377726500.db2.gz HWHXPJJJMXANOX-KOHJWAIASA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@H](CCNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000342846028 377831308 /nfs/dbraw/zinc/83/13/08/377831308.db2.gz CTOKSVUHNQMFIP-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343929710 378136798 /nfs/dbraw/zinc/13/67/98/378136798.db2.gz LFISVBPPHKHDGP-JSGCOSHPSA-N 1 0 298.342 3.422 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000268962090 378162229 /nfs/dbraw/zinc/16/22/29/378162229.db2.gz VXMAWSRCRAOKNC-CQSZACIVSA-N 1 0 292.379 3.073 20 5 CGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000270529428 378364836 /nfs/dbraw/zinc/36/48/36/378364836.db2.gz OGIUFWQWIIJXLQ-NSHDSACASA-N 1 0 286.784 3.186 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000271054455 378441407 /nfs/dbraw/zinc/44/14/07/378441407.db2.gz SCQFVDQETJSMAL-LLVKDONJSA-N 1 0 296.367 3.088 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000272535441 378659466 /nfs/dbraw/zinc/65/94/66/378659466.db2.gz RFNHJMILAFIQPT-ZDUSSCGKSA-N 1 0 292.379 3.201 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346797100 378688679 /nfs/dbraw/zinc/68/86/79/378688679.db2.gz KTWUIHPVCSXLIT-KCQAQPDRSA-N 1 0 291.395 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000347348756 218199407 /nfs/dbraw/zinc/19/94/07/218199407.db2.gz OWTVYOGHIBEDBB-QGZVFWFLSA-N 1 0 297.358 3.273 20 5 CGBDRO CCOC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266538115 190265441 /nfs/dbraw/zinc/26/54/41/190265441.db2.gz OVVIAUKXPJPKSI-ZIAGYGMSSA-N 1 0 292.379 3.404 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279052189 379412099 /nfs/dbraw/zinc/41/20/99/379412099.db2.gz KFKLQMLTCLUECO-DOMZBBRYSA-N 1 0 292.379 3.068 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000266839035 190283768 /nfs/dbraw/zinc/28/37/68/190283768.db2.gz GIQGIMYQVWVUKO-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)c(F)c1 ZINC000352692072 379910597 /nfs/dbraw/zinc/91/05/97/379910597.db2.gz OECTXXXHEBKIRQ-HNNXBMFYSA-N 1 0 278.327 3.498 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000393587656 379915457 /nfs/dbraw/zinc/91/54/57/379915457.db2.gz BQMQRCUCCCMYNC-AWEZNQCLSA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000282564606 379947131 /nfs/dbraw/zinc/94/71/31/379947131.db2.gz DWMGKVCCBZLVIJ-HNNXBMFYSA-N 1 0 290.363 3.034 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000353057575 380096630 /nfs/dbraw/zinc/09/66/30/380096630.db2.gz BGQANTNQVAFHFG-AWEZNQCLSA-N 1 0 293.411 3.113 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353127982 380128463 /nfs/dbraw/zinc/12/84/63/380128463.db2.gz SINQELHERYYFSB-MRXNPFEDSA-N 1 0 294.395 3.215 20 5 CGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963581 380255475 /nfs/dbraw/zinc/25/54/75/380255475.db2.gz XTOHCYNZSUJXDT-GOEBONIOSA-N 1 0 292.379 3.230 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985876 380265731 /nfs/dbraw/zinc/26/57/31/380265731.db2.gz FNTPATXWSGMPGU-CZUORRHYSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)c1ccc(CNc2[nH+]ccn2C)cc1[N+](=O)[O-] ZINC000414312378 380213011 /nfs/dbraw/zinc/21/30/11/380213011.db2.gz ZVIRRMZSHRTHJO-UHFFFAOYSA-N 1 0 274.324 3.064 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)CC2)cc1[N+](=O)[O-] ZINC000354739469 380546813 /nfs/dbraw/zinc/54/68/13/380546813.db2.gz YRCCWZZOBAEVTM-CQSZACIVSA-N 1 0 292.379 3.065 20 5 CGBDRO CC(C)OCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346025 380602107 /nfs/dbraw/zinc/60/21/07/380602107.db2.gz SYHMCCDSIHFAEZ-MRXNPFEDSA-N 1 0 292.379 3.377 20 5 CGBDRO CO[C@H](C)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345795 380602177 /nfs/dbraw/zinc/60/21/77/380602177.db2.gz UXAVINIILYYJHN-MLGOLLRUSA-N 1 0 292.379 3.377 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417376668 380613154 /nfs/dbraw/zinc/61/31/54/380613154.db2.gz RKZGAHWOKFRHCH-IUODEOHRSA-N 1 0 280.368 3.307 20 5 CGBDRO CCOC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000355182515 380613269 /nfs/dbraw/zinc/61/32/69/380613269.db2.gz VFPLSXSBSWAWMU-GJZGRUSLSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1ccncc1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000355603102 380724616 /nfs/dbraw/zinc/72/46/16/380724616.db2.gz WWGHWLLNRFTIQM-FNORWQNLSA-N 1 0 297.358 3.443 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](CO)CCC(C)(C)C ZINC000355682346 380749857 /nfs/dbraw/zinc/74/98/57/380749857.db2.gz OLOZNXZHBABKMD-AWEZNQCLSA-N 1 0 294.395 3.180 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000419355388 380814063 /nfs/dbraw/zinc/81/40/63/380814063.db2.gz DYPOFYJBFYNTPA-OAHLLOKOSA-N 1 0 292.404 3.312 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000361616760 381840856 /nfs/dbraw/zinc/84/08/56/381840856.db2.gz PJCAIBZEMBVWQE-LLVKDONJSA-N 1 0 296.342 3.365 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250737194 542344259 /nfs/dbraw/zinc/34/42/59/542344259.db2.gz CFBAGTGYUKNMPZ-RYUDHWBXSA-N 1 0 295.770 3.287 20 5 CGBDRO CO[C@H](C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777569 220326100 /nfs/dbraw/zinc/32/61/00/220326100.db2.gz BRHRGHJRWLCFKP-IUCKJTJTSA-N 1 0 292.379 3.353 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350343880 219010164 /nfs/dbraw/zinc/01/01/64/219010164.db2.gz WZEWCOCGDYRNGQ-ZFWWWQNUSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC=CCC1)CCO2 ZINC000356513789 285142623 /nfs/dbraw/zinc/14/26/23/285142623.db2.gz CBVNJQTWHXGUOD-ZDUSSCGKSA-N 1 0 288.347 3.146 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOCC1)CCC2 ZINC000193071767 285144347 /nfs/dbraw/zinc/14/43/47/285144347.db2.gz MSAXDBWAJXYWCB-CJNGLKHVSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000353846672 220363537 /nfs/dbraw/zinc/36/35/37/220363537.db2.gz QICPBYDQSZWTGG-VIFPVBQESA-N 1 0 254.355 3.277 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177538533 285155755 /nfs/dbraw/zinc/15/57/55/285155755.db2.gz RCXRPVUPTCJMGG-VXGBXAGGSA-N 1 0 278.327 3.356 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCCC1)C1CC1 ZINC000181996572 285160895 /nfs/dbraw/zinc/16/08/95/285160895.db2.gz YNZXCDZJVYWJJQ-OAHLLOKOSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@@H]([NH2+]CC1(C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358992922 533354771 /nfs/dbraw/zinc/35/47/71/533354771.db2.gz ABVDJIIZMSPPHF-SECBINFHSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/c2ccccc2)cc1 ZINC000051790025 392073704 /nfs/dbraw/zinc/07/37/04/392073704.db2.gz SGDAQPBHZVEOFY-QPJJXVBHSA-N 1 0 268.316 3.398 20 5 CGBDRO Cc1c(C[NH+]2CCC(C(F)F)CC2)cccc1[N+](=O)[O-] ZINC000361689226 392296326 /nfs/dbraw/zinc/29/63/26/392296326.db2.gz ICSPVMLYRYASBU-UHFFFAOYSA-N 1 0 284.306 3.380 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000505577679 392675680 /nfs/dbraw/zinc/67/56/80/392675680.db2.gz ZZKNJZWZJPBHSC-NWDGAFQWSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581045 392676434 /nfs/dbraw/zinc/67/64/34/392676434.db2.gz DQJLKSMDZFISQI-GXTWGEPZSA-N 1 0 291.395 3.436 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000504899434 392640318 /nfs/dbraw/zinc/64/03/18/392640318.db2.gz GORRLXADJKGZRS-MDZLAQPJSA-N 1 0 278.352 3.300 20 5 CGBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000546267459 393042400 /nfs/dbraw/zinc/04/24/00/393042400.db2.gz RSTNZVAKMOMFQM-JTQLQIEISA-N 1 0 276.258 3.415 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466924469 393072731 /nfs/dbraw/zinc/07/27/31/393072731.db2.gz AHBJOEXXMUQYEA-BETUJISGSA-N 1 0 262.353 3.400 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cncc(C)c1 ZINC000468589502 393155807 /nfs/dbraw/zinc/15/58/07/393155807.db2.gz KXGCDXGFRWPOPD-MLPAPPSSSA-N 1 0 297.358 3.491 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCSCC1 ZINC000470172948 393229021 /nfs/dbraw/zinc/22/90/21/393229021.db2.gz FWLNOTOEIQKWSC-XFXZXTDPSA-N 1 0 278.377 3.047 20 5 CGBDRO CCCC[N@H+](CCO)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470176851 393231503 /nfs/dbraw/zinc/23/15/03/393231503.db2.gz NOLSROXOJFGMFF-SDNWHVSQSA-N 1 0 292.379 3.093 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(Cc2ccco2)C1 ZINC000600197593 393209380 /nfs/dbraw/zinc/20/93/80/393209380.db2.gz LCXIEMMZLBRSAJ-UHFFFAOYSA-N 1 0 286.331 3.171 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577286 393486686 /nfs/dbraw/zinc/48/66/86/393486686.db2.gz FFAKXPSDSPQHCP-MWLCHTKSSA-N 1 0 254.355 3.277 20 5 CGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC(OC(C)(C)C)C1 ZINC000360815539 393593782 /nfs/dbraw/zinc/59/37/82/393593782.db2.gz XJXFNGQSCGQEOS-UHFFFAOYSA-N 1 0 292.379 3.373 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000432982702 393667101 /nfs/dbraw/zinc/66/71/01/393667101.db2.gz DPUWIWPAKGXYOK-UXUKBGGZSA-N 1 0 290.363 3.272 20 5 CGBDRO C[N@H+](CCc1ccccc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000491217028 393672981 /nfs/dbraw/zinc/67/29/81/393672981.db2.gz MFILAZCOFYTROR-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154853 393686600 /nfs/dbraw/zinc/68/66/00/393686600.db2.gz QZGURYBRNXNAPO-JSGCOSHPSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000447525541 393865038 /nfs/dbraw/zinc/86/50/38/393865038.db2.gz ALTNOEXRLKOMEG-QGZVFWFLSA-N 1 0 297.358 3.465 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H](O)CC ZINC000449637674 393931853 /nfs/dbraw/zinc/93/18/53/393931853.db2.gz HHNLLGCYALUDTI-ZBFHGGJFSA-N 1 0 294.395 3.357 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000453409153 394237780 /nfs/dbraw/zinc/23/77/80/394237780.db2.gz FSNMVZXMKYYKOE-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245527023 292295841 /nfs/dbraw/zinc/29/58/41/292295841.db2.gz PQYSLPMXKXCPGH-STQMWFEESA-N 1 0 278.352 3.075 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000037502452 286885679 /nfs/dbraw/zinc/88/56/79/286885679.db2.gz FYTFBSYGHKYOKE-UHFFFAOYSA-N 1 0 290.294 3.032 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000453249478 286921756 /nfs/dbraw/zinc/92/17/56/286921756.db2.gz UIUVQRAYMSNEHC-NJZAAPMLSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)([NH2+]Cc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000080347336 287064983 /nfs/dbraw/zinc/06/49/83/287064983.db2.gz CWPDYTQLXMCFFN-UHFFFAOYSA-N 1 0 271.320 3.015 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000081046103 287070041 /nfs/dbraw/zinc/07/00/41/287070041.db2.gz SPLPYYAOJRALSW-GFCCVEGCSA-N 1 0 250.342 3.285 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000070357875 165059507 /nfs/dbraw/zinc/05/95/07/165059507.db2.gz QFUIHNPVNXLRJY-JGGQBBKZSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512832 165132356 /nfs/dbraw/zinc/13/23/56/165132356.db2.gz JZSFNXZVFOTITJ-CYBMUJFWSA-N 1 0 292.379 3.110 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090535807 165240916 /nfs/dbraw/zinc/24/09/16/165240916.db2.gz HXBJICNHYPYEDA-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC1(C)C ZINC000094325041 165347737 /nfs/dbraw/zinc/34/77/37/165347737.db2.gz NVXHFOLINAVPPS-CQSZACIVSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119257014 287167345 /nfs/dbraw/zinc/16/73/45/287167345.db2.gz JQMKVYOPGWTXHW-SECBINFHSA-N 1 0 254.717 3.233 20 5 CGBDRO CC[C@@H](C)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119417610 287169310 /nfs/dbraw/zinc/16/93/10/287169310.db2.gz UBSSGKYRISAEJJ-SECBINFHSA-N 1 0 256.733 3.479 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000120212007 287179313 /nfs/dbraw/zinc/17/93/13/287179313.db2.gz AYBRAUDXOQQOAW-IHRRRGAJSA-N 1 0 292.379 3.105 20 5 CGBDRO CCC[C@H]([NH2+]CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127093 171012215 /nfs/dbraw/zinc/01/22/15/171012215.db2.gz HGCCAVIWAMYHEN-INIZCTEOSA-N 1 0 291.395 3.121 20 5 CGBDRO Cc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000020134397 171022067 /nfs/dbraw/zinc/02/20/67/171022067.db2.gz MGEYHJYKVGSFQF-UHFFFAOYSA-N 1 0 256.305 3.193 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000021503081 171306454 /nfs/dbraw/zinc/30/64/54/171306454.db2.gz OATQMMVOVPYQDN-UHFFFAOYSA-N 1 0 290.294 3.032 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC=C(c2ccco2)C1 ZINC000285353955 196258866 /nfs/dbraw/zinc/25/88/66/196258866.db2.gz PUQJDMYBIJWBES-UHFFFAOYSA-N 1 0 284.315 3.477 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCC2)c(Cl)c1 ZINC000285445833 196285867 /nfs/dbraw/zinc/28/58/67/196285867.db2.gz IQPNBHYFPMOMSH-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000037167376 173001542 /nfs/dbraw/zinc/00/15/42/173001542.db2.gz ZTXRPGIDPFBXIQ-MNOVXSKESA-N 1 0 288.351 3.049 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3ccccc32)cs1 ZINC000037562598 173272742 /nfs/dbraw/zinc/27/27/42/173272742.db2.gz YLMWHOBDEXPUCA-CYBMUJFWSA-N 1 0 274.345 3.433 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N1CCCCC1 ZINC000038028721 174017163 /nfs/dbraw/zinc/01/71/63/174017163.db2.gz PTSWCXWVMDIQSX-KGLIPLIRSA-N 1 0 291.395 3.120 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC=CCC1 ZINC000045630597 175381879 /nfs/dbraw/zinc/38/18/79/175381879.db2.gz OJWVBQXCADBBPZ-LBPRGKRZSA-N 1 0 276.336 3.049 20 5 CGBDRO CC(C)=CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188445457 262297085 /nfs/dbraw/zinc/29/70/85/262297085.db2.gz SPXLYAXAIKVTPQ-CYBMUJFWSA-N 1 0 262.353 3.472 20 5 CGBDRO CC[C@H]([NH2+]CCCOC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000194028639 270080869 /nfs/dbraw/zinc/08/08/69/270080869.db2.gz KAVVLJPWIBPJSO-LBPRGKRZSA-N 1 0 288.294 3.265 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000230655872 270088975 /nfs/dbraw/zinc/08/89/75/270088975.db2.gz ZGKRDIYZALEAMF-BXUZGUMPSA-N 1 0 262.353 3.429 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000230405300 270089015 /nfs/dbraw/zinc/08/90/15/270089015.db2.gz KZHRVTASWLWWIK-YPMHNXCESA-N 1 0 262.353 3.429 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000527371010 270127915 /nfs/dbraw/zinc/12/79/15/270127915.db2.gz SPAAMKBCAWQYGW-YUDUHTQSSA-N 1 0 290.363 3.121 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCC1 ZINC000116280136 267136408 /nfs/dbraw/zinc/13/64/08/267136408.db2.gz WQUZBAXZQDIFDW-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000301941924 273511171 /nfs/dbraw/zinc/51/11/71/273511171.db2.gz WKZSJWLDAIJWNP-UHFFFAOYSA-N 1 0 283.397 3.189 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000274578360 273601209 /nfs/dbraw/zinc/60/12/09/273601209.db2.gz DLNQNHCMKHYVKZ-LLVKDONJSA-N 1 0 293.367 3.008 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287119640 276098017 /nfs/dbraw/zinc/09/80/17/276098017.db2.gz WIQPRALEFALVMC-LBPRGKRZSA-N 1 0 294.399 3.099 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076056952 276341333 /nfs/dbraw/zinc/34/13/33/276341333.db2.gz PQASSVUVAJBONB-BBRMVZONSA-N 1 0 291.395 3.072 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429764268 276612590 /nfs/dbraw/zinc/61/25/90/276612590.db2.gz HUFJAYKZDJKMBN-GXFFZTMASA-N 1 0 266.316 3.402 20 5 CGBDRO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453247848 277241288 /nfs/dbraw/zinc/24/12/88/277241288.db2.gz PCIXSYFLRKAETI-BJJXKVORSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948514 277360027 /nfs/dbraw/zinc/36/00/27/277360027.db2.gz VIMBGULZBSLPHG-GOEBONIOSA-N 1 0 292.379 3.230 20 5 CGBDRO COC1CC[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000349749565 277478473 /nfs/dbraw/zinc/47/84/73/277478473.db2.gz QSMYIOJKOWAGQM-UHFFFAOYSA-N 1 0 292.379 3.329 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000282463588 277547845 /nfs/dbraw/zinc/54/78/45/277547845.db2.gz GBLVRRYLKKXSLA-YDHLFZDLSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c[nH+]ccc1NCCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000359576734 287978456 /nfs/dbraw/zinc/97/84/56/287978456.db2.gz DBDTUKUGBNVXMW-UHFFFAOYSA-N 1 0 291.738 3.028 20 5 CGBDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000227791545 278339908 /nfs/dbraw/zinc/33/99/08/278339908.db2.gz SDKZBTBAWNMNSA-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H](NCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526186 278344680 /nfs/dbraw/zinc/34/46/80/278344680.db2.gz SFCOGSJCJLCCIG-CQSZACIVSA-N 1 0 291.395 3.121 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000132600330 278352317 /nfs/dbraw/zinc/35/23/17/278352317.db2.gz MIAXVHPUJXNEOY-ZWNOBZJWSA-N 1 0 298.433 3.094 20 5 CGBDRO CCC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583599 278640660 /nfs/dbraw/zinc/64/06/60/278640660.db2.gz BQXQFNCSBBDFCV-OLZOCXBDSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447552610 279007081 /nfs/dbraw/zinc/00/70/81/279007081.db2.gz UHDHEHSPFDANDZ-IFUGULHKSA-N 1 0 260.337 3.218 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000459745200 288100908 /nfs/dbraw/zinc/10/09/08/288100908.db2.gz SEWXGOJKZXNUCA-ZBFHGGJFSA-N 1 0 292.379 3.375 20 5 CGBDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161111062 279537368 /nfs/dbraw/zinc/53/73/68/279537368.db2.gz YPGYQBHZMGZLFL-NOLJZWGESA-N 1 0 291.395 3.118 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038096036 280188210 /nfs/dbraw/zinc/18/82/10/280188210.db2.gz RVWHUISVJKMQHY-HUUCEWRRSA-N 1 0 278.352 3.205 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)c1 ZINC000530994532 288323137 /nfs/dbraw/zinc/32/31/37/288323137.db2.gz RZBABCAZYUVQBN-INIZCTEOSA-N 1 0 282.343 3.412 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000531725675 288343469 /nfs/dbraw/zinc/34/34/69/288343469.db2.gz MLRJLNHKUQSGNN-IHRRRGAJSA-N 1 0 291.395 3.037 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000449100160 533691972 /nfs/dbraw/zinc/69/19/72/533691972.db2.gz AXBWBNJRFUVMLO-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000537176389 288517167 /nfs/dbraw/zinc/51/71/67/288517167.db2.gz FFGMXPRGKJQEOK-CQSZACIVSA-N 1 0 299.374 3.382 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000550423147 289076402 /nfs/dbraw/zinc/07/64/02/289076402.db2.gz ZIDGWLKPFMRJOS-OAHLLOKOSA-N 1 0 274.364 3.259 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000558131622 289473965 /nfs/dbraw/zinc/47/39/65/289473965.db2.gz IQRLXVLAQXDCEN-VSKVDJIOSA-N 1 0 260.337 3.386 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000558131617 289474073 /nfs/dbraw/zinc/47/40/73/289474073.db2.gz IQRLXVLAQXDCEN-BRLPQQTGSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000558972525 289530640 /nfs/dbraw/zinc/53/06/40/289530640.db2.gz BEDDISLUHUDKTG-ZWNOBZJWSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000562066587 289673975 /nfs/dbraw/zinc/67/39/75/289673975.db2.gz WBCCVPHOMMPYMU-LSJOCFKGSA-N 1 0 270.279 3.207 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C ZINC000563764942 322009338 /nfs/dbraw/zinc/00/93/38/322009338.db2.gz QGGALOLIDYKLEM-UVWXRNBGSA-N 1 0 287.363 3.253 20 5 CGBDRO CSCCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476526 322125474 /nfs/dbraw/zinc/12/54/74/322125474.db2.gz ZHBIWUDFMCDVEE-CYBMUJFWSA-N 1 0 280.393 3.315 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000567002982 322146438 /nfs/dbraw/zinc/14/64/38/322146438.db2.gz PERZRZWEYDJRCN-KGLIPLIRSA-N 1 0 293.411 3.366 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000567002983 322146520 /nfs/dbraw/zinc/14/65/20/322146520.db2.gz PERZRZWEYDJRCN-ZIAGYGMSSA-N 1 0 293.411 3.366 20 5 CGBDRO CC[C@@H](COC)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000567368112 322160909 /nfs/dbraw/zinc/16/09/09/322160909.db2.gz LYSHLJRYHZLSOD-BCNIOPEESA-N 1 0 278.352 3.013 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000573443818 322388133 /nfs/dbraw/zinc/38/81/33/322388133.db2.gz BHYWEGPLXFKLIL-OLZOCXBDSA-N 1 0 296.342 3.364 20 5 CGBDRO Cc1cc(N[C@@H]2CC[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000574430633 322439873 /nfs/dbraw/zinc/43/98/73/322439873.db2.gz OAKUIMSSADMPAI-GHMZBOCLSA-N 1 0 289.310 3.176 20 5 CGBDRO CC1(C)CC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583642180 328725345 /nfs/dbraw/zinc/72/53/45/328725345.db2.gz RGNQMWQINHXATM-QWHCGFSZSA-N 1 0 292.383 3.053 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000452009006 500597518 /nfs/dbraw/zinc/59/75/18/500597518.db2.gz BTDIVKSFHDYZCF-UXIGCNINSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000358368971 533948229 /nfs/dbraw/zinc/94/82/29/533948229.db2.gz OGABJJPZCMQJPB-WDEREUQCSA-N 1 0 274.324 3.038 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000449259755 534254031 /nfs/dbraw/zinc/25/40/31/534254031.db2.gz SMYLWFZBMMFLKW-GXTWGEPZSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=CCCC1 ZINC000449187008 534254165 /nfs/dbraw/zinc/25/41/65/534254165.db2.gz CYVSXJMXKNSHGG-GXTWGEPZSA-N 1 0 260.337 3.224 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111254424 523870454 /nfs/dbraw/zinc/87/04/54/523870454.db2.gz JPYLOULXZHURLC-JTQLQIEISA-N 1 0 254.305 3.212 20 5 CGBDRO C[C@H](CF)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290245956 524275034 /nfs/dbraw/zinc/27/50/34/524275034.db2.gz VFKQMPYMOCQENW-DYEKYZERSA-N 1 0 280.343 3.254 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CC4(CC4)C3)o2)cc1 ZINC000449369575 534881264 /nfs/dbraw/zinc/88/12/64/534881264.db2.gz DSOWRJLUAOTEJW-UHFFFAOYSA-N 1 0 284.315 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CC=CCC1 ZINC000084440183 527354963 /nfs/dbraw/zinc/35/49/63/527354963.db2.gz HCYPZTNPMHVZMV-GFCCVEGCSA-N 1 0 266.728 3.447 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C)(F)C1 ZINC000449376228 527529433 /nfs/dbraw/zinc/52/94/33/527529433.db2.gz MGWHXVAUWACELG-IZZDOVSWSA-N 1 0 278.327 3.478 20 5 CGBDRO CC(C)[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449061585 528420665 /nfs/dbraw/zinc/42/06/65/528420665.db2.gz GRNBHIMVSUNGKC-VXGBXAGGSA-N 1 0 250.342 3.160 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000355035408 528425628 /nfs/dbraw/zinc/42/56/28/528425628.db2.gz MLHIAWGFRIKDHO-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CCC[NH2+]CCN[C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000423313069 528517002 /nfs/dbraw/zinc/51/70/02/528517002.db2.gz TYZDBNXZQUSDBO-OAHLLOKOSA-N 1 0 279.384 3.025 20 5 CGBDRO CC[N@H+](CCNc1cc(C)c([N+](=O)[O-])cc1F)C(C)C ZINC000359875308 528519618 /nfs/dbraw/zinc/51/96/18/528519618.db2.gz KKBIQQXPQZNBGZ-UHFFFAOYSA-N 1 0 283.347 3.185 20 5 CGBDRO CC[C@](C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000449471343 529362632 /nfs/dbraw/zinc/36/26/32/529362632.db2.gz CDQRSKNEYYUVDP-SOIVGHGOSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000462824597 535765005 /nfs/dbraw/zinc/76/50/05/535765005.db2.gz FHOFMYVQPCSTNU-SSUFTNFISA-N 1 0 292.379 3.355 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000749923259 573058861 /nfs/dbraw/zinc/05/88/61/573058861.db2.gz HWZLLDVTMTWTDR-JYAVWHMHSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000934396581 618615892 /nfs/dbraw/zinc/61/58/92/618615892.db2.gz QBRIUENQSBDQFZ-WFASDCNBSA-N 1 0 290.363 3.347 20 5 CGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CCC1 ZINC000061457733 618681139 /nfs/dbraw/zinc/68/11/39/618681139.db2.gz FLLZYUXNUSCSLX-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000310286141 618786136 /nfs/dbraw/zinc/78/61/36/618786136.db2.gz MHGCCJVMOPUQEW-LDYMZIIASA-N 1 0 299.168 3.245 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000840970746 619296411 /nfs/dbraw/zinc/29/64/11/619296411.db2.gz WUKWHKLQWXVJOY-SNVBAGLBSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cnc1F ZINC000894657724 619597954 /nfs/dbraw/zinc/59/79/54/619597954.db2.gz NXBPVTGSMFIDKM-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO COCC[C@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894892871 619671681 /nfs/dbraw/zinc/67/16/81/619671681.db2.gz AKXXHUOHJGLZHD-JTQLQIEISA-N 1 0 286.759 3.010 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H](CF)C1 ZINC000895546890 619848561 /nfs/dbraw/zinc/84/85/61/619848561.db2.gz XEWHUNGVPMNRFY-WXJAXGNASA-N 1 0 278.327 3.290 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000896512902 620016296 /nfs/dbraw/zinc/01/62/96/620016296.db2.gz WLFAFYBVTQOTMR-JMSVASOKSA-N 1 0 280.368 3.307 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000054241211 620085594 /nfs/dbraw/zinc/08/55/94/620085594.db2.gz AEDMOJJKPPWRKR-JTQLQIEISA-N 1 0 283.759 3.002 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461069 620339877 /nfs/dbraw/zinc/33/98/77/620339877.db2.gz YJIQBMIYPKVLIU-CHWSQXEVSA-N 1 0 292.379 3.246 20 5 CGBDRO CCc1nocc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464667 620340378 /nfs/dbraw/zinc/34/03/78/620340378.db2.gz NVIHWQKIRNECNX-NSHDSACASA-N 1 0 289.335 3.039 20 5 CGBDRO C[C@@H](C[NH2+]C1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000897465931 620340691 /nfs/dbraw/zinc/34/06/91/620340691.db2.gz LFIXTQFLJUMTMY-NSHDSACASA-N 1 0 280.393 3.184 20 5 CGBDRO Cc1ncccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469685 620341767 /nfs/dbraw/zinc/34/17/67/620341767.db2.gz OPJYETVMWWBJKU-LBPRGKRZSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000901663812 620972297 /nfs/dbraw/zinc/97/22/97/620972297.db2.gz OWGMQXLPLPOASC-AVHCAHFISA-N 1 0 290.363 3.203 20 5 CGBDRO CCNc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000902079459 621128372 /nfs/dbraw/zinc/12/83/72/621128372.db2.gz WSNIDVMDHGGCSH-UHFFFAOYSA-N 1 0 285.347 3.316 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000042555307 621177466 /nfs/dbraw/zinc/17/74/66/621177466.db2.gz MDDWBFVJPPNZKK-NXEZZACHSA-N 1 0 254.305 3.258 20 5 CGBDRO CCO[C@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000902889739 621487679 /nfs/dbraw/zinc/48/76/79/621487679.db2.gz QBUBEUZHBZFPBG-HOCLYGCPSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCS2)cc([N+](=O)[O-])c1 ZINC000903111803 621584680 /nfs/dbraw/zinc/58/46/80/621584680.db2.gz XBPRDVZYRQWBGI-IINYFYTJSA-N 1 0 296.392 3.150 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286983 621669922 /nfs/dbraw/zinc/66/99/22/621669922.db2.gz LJSQZTPEHHOFOP-YGRLFVJLSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287397 621670414 /nfs/dbraw/zinc/67/04/14/621670414.db2.gz OWUBCQCZDARMKL-TZMCWYRMSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000903287847 621670735 /nfs/dbraw/zinc/67/07/35/621670735.db2.gz RGTLWKYMHWQNAL-JMSVASOKSA-N 1 0 278.352 3.203 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172433385 623249173 /nfs/dbraw/zinc/24/91/73/623249173.db2.gz BEUYFPPARWUEID-SNVBAGLBSA-N 1 0 286.372 3.307 20 5 CGBDRO CCC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154444719 624289670 /nfs/dbraw/zinc/28/96/70/624289670.db2.gz MHJAWTWHFMMSSM-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000069238123 624812265 /nfs/dbraw/zinc/81/22/65/624812265.db2.gz OETKAFQHVQICOE-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000922836054 626053482 /nfs/dbraw/zinc/05/34/82/626053482.db2.gz HXGNCODFIOJKCL-MWLCHTKSSA-N 1 0 284.356 3.108 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000839200487 626331881 /nfs/dbraw/zinc/33/18/81/626331881.db2.gz SVXCBLDSVFMVDL-JKSUJKDBSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCOC1 ZINC000761505138 627046390 /nfs/dbraw/zinc/04/63/90/627046390.db2.gz GLDHEEOGWPMZLR-LBPRGKRZSA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000761511738 627047257 /nfs/dbraw/zinc/04/72/57/627047257.db2.gz OVQNDTCXDUIEQB-UWVGGRQHSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@@H]([NH2+]C[Si](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000775572165 628109313 /nfs/dbraw/zinc/10/93/13/628109313.db2.gz QBUOXFYMTYYFPV-SNVBAGLBSA-N 1 0 252.390 3.123 20 5 CGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC000776277564 628188555 /nfs/dbraw/zinc/18/85/55/628188555.db2.gz QLQSOTXBQRAZJJ-INIZCTEOSA-N 1 0 292.379 3.283 20 5 CGBDRO CCC1(CC)CC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591935 628221813 /nfs/dbraw/zinc/22/18/13/628221813.db2.gz LRIKYZCDLYMYJJ-HNNXBMFYSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC1CCC1 ZINC000777122624 628250888 /nfs/dbraw/zinc/25/08/88/628250888.db2.gz XTARXQQURBVJTQ-LBPRGKRZSA-N 1 0 278.352 3.123 20 5 CGBDRO CCCC[N@H+](Cn1cc([N+](=O)[O-])c(C)n1)C1CCCCC1 ZINC000779858545 628438502 /nfs/dbraw/zinc/43/85/02/628438502.db2.gz IQUIIGBFDVVRAR-UHFFFAOYSA-N 1 0 294.399 3.492 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CC2)cc1Cl ZINC000783641905 628734715 /nfs/dbraw/zinc/73/47/15/628734715.db2.gz MMHCRPRBFTZKAF-UHFFFAOYSA-N 1 0 266.728 3.280 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)O1 ZINC000788489327 629059025 /nfs/dbraw/zinc/05/90/25/629059025.db2.gz ONIOQIRNRLJVHE-ZDUSSCGKSA-N 1 0 296.342 3.170 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752118 629078625 /nfs/dbraw/zinc/07/86/25/629078625.db2.gz UYFHDWHXCYJMRD-QWRGUYRKSA-N 1 0 277.368 3.406 20 5 CGBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000789752889 629165726 /nfs/dbraw/zinc/16/57/26/629165726.db2.gz VKSVDUZDYMVCTB-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000790696551 629225381 /nfs/dbraw/zinc/22/53/81/629225381.db2.gz TZXMSZYVNNCBKK-LBPRGKRZSA-N 1 0 285.347 3.019 20 5 CGBDRO CC(C)([NH2+]C[Si](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000795223741 629648718 /nfs/dbraw/zinc/64/87/18/629648718.db2.gz XFTMMBRECHVEJU-UHFFFAOYSA-N 1 0 266.417 3.297 20 5 CGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(C)(C)C1 ZINC000796529915 629795479 /nfs/dbraw/zinc/79/54/79/629795479.db2.gz CSPSIZSQNPCFOG-CABCVRRESA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840182708 630763357 /nfs/dbraw/zinc/76/33/57/630763357.db2.gz ISRLGKOAWTXAAD-LLVKDONJSA-N 1 0 288.351 3.022 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)(C)C ZINC000812795199 631313646 /nfs/dbraw/zinc/31/36/46/631313646.db2.gz XOQLQWUXWHWHMR-UHFFFAOYSA-N 1 0 295.339 3.371 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815623467 631807906 /nfs/dbraw/zinc/80/79/06/631807906.db2.gz YMLPDWIOWSZFJW-NTZNESFSSA-N 1 0 277.368 3.264 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620227 631807966 /nfs/dbraw/zinc/80/79/66/631807966.db2.gz KQKODVUDLDTJBO-HZMBPMFUSA-N 1 0 275.352 3.160 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819353274 632438005 /nfs/dbraw/zinc/43/80/05/632438005.db2.gz AOGFJJFRYQXDTR-HOTGVXAUSA-N 1 0 292.379 3.187 20 5 CGBDRO C[NH+](C)C1(C)CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866148468 633012872 /nfs/dbraw/zinc/01/28/72/633012872.db2.gz CPABHEPAUNJDBS-UHFFFAOYSA-N 1 0 295.358 3.409 20 5 CGBDRO CCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866211064 633030022 /nfs/dbraw/zinc/03/00/22/633030022.db2.gz AKGNUCOYZUPEIW-JTQLQIEISA-N 1 0 254.305 3.055 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCSC1 ZINC000866279476 633062801 /nfs/dbraw/zinc/06/28/01/633062801.db2.gz UZEQNPFRFMOMHK-GWCFXTLKSA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC(C)(C)C ZINC000866318352 633080042 /nfs/dbraw/zinc/08/00/42/633080042.db2.gz WMFWVFZZHQZVCW-LLVKDONJSA-N 1 0 298.358 3.070 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(F)F ZINC000866364938 633103920 /nfs/dbraw/zinc/10/39/20/633103920.db2.gz SWDAFKGXWPRDJW-VIFPVBQESA-N 1 0 290.285 3.300 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000866373749 633109730 /nfs/dbraw/zinc/10/97/30/633109730.db2.gz RLXMHQABXREMDV-IDTSFGKNSA-N 1 0 292.354 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1C[C@H](SC)C1 ZINC000866487855 633157180 /nfs/dbraw/zinc/15/71/80/633157180.db2.gz GVMMTASXUIFKSM-CKYFFXLPSA-N 1 0 296.392 3.148 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000866488805 633158361 /nfs/dbraw/zinc/15/83/61/633158361.db2.gz UYWNYBOEIBPAGF-KWBADKCTSA-N 1 0 278.377 3.066 20 5 CGBDRO CCOC1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000866540611 633183925 /nfs/dbraw/zinc/18/39/25/633183925.db2.gz QXCUVRUAKKGAOV-UHFFFAOYSA-N 1 0 292.379 3.341 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866540352 633184146 /nfs/dbraw/zinc/18/41/46/633184146.db2.gz MGVVPNNTHAWDEB-CQSZACIVSA-N 1 0 299.374 3.409 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000122597148 633445893 /nfs/dbraw/zinc/44/58/93/633445893.db2.gz QRWVZYYKIVMVEW-DGCLKSJQSA-N 1 0 295.770 3.287 20 5 CGBDRO C[N@H+](CC1=CCSC1)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827805851 633520764 /nfs/dbraw/zinc/52/07/64/633520764.db2.gz LPBRMPIZALRGOV-UHFFFAOYSA-N 1 0 298.795 3.353 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042662 633966037 /nfs/dbraw/zinc/96/60/37/633966037.db2.gz CTNJGWFUAKWQTM-QWRGUYRKSA-N 1 0 296.342 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000872047635 633970397 /nfs/dbraw/zinc/97/03/97/633970397.db2.gz FYKPZYQYBUGLEE-NXEZZACHSA-N 1 0 298.433 3.473 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872081620 634006643 /nfs/dbraw/zinc/00/66/43/634006643.db2.gz IMWOKIRUTVCEAH-LLVKDONJSA-N 1 0 296.342 3.201 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086789 634012763 /nfs/dbraw/zinc/01/27/63/634012763.db2.gz ZJUFYWGXZVJEOH-WOPDTQHZSA-N 1 0 296.342 3.342 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872128103 634049737 /nfs/dbraw/zinc/04/97/37/634049737.db2.gz DNGLGGDBRAEJKH-AVGNSLFASA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000872128583 634050149 /nfs/dbraw/zinc/05/01/49/634050149.db2.gz UGAXMBZKKAFGQN-GLQYFDAESA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000873098790 634246272 /nfs/dbraw/zinc/24/62/72/634246272.db2.gz ATQOIBDDSHODAT-RYUDHWBXSA-N 1 0 292.379 3.257 20 5 CGBDRO Cc1c(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000873136808 634255936 /nfs/dbraw/zinc/25/59/36/634255936.db2.gz JEHPGWVNHNQEBU-DOTOQJQBSA-N 1 0 298.342 3.171 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877738080 635170243 /nfs/dbraw/zinc/17/02/43/635170243.db2.gz JMAOJWAOKSEFSX-ZIAGYGMSSA-N 1 0 292.404 3.088 20 5 CGBDRO CC1(C)CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127133071 635520988 /nfs/dbraw/zinc/52/09/88/635520988.db2.gz VAKUFBQDXUSVBS-ZFWWWQNUSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+]C1(C2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846207148 636158469 /nfs/dbraw/zinc/15/84/69/636158469.db2.gz KOTPTGVWHGGZTR-JTQLQIEISA-N 1 0 275.352 3.160 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@@H]1C ZINC000129727057 636358010 /nfs/dbraw/zinc/35/80/10/636358010.db2.gz LVZUVPVLASAYGZ-MNOVXSKESA-N 1 0 266.316 3.212 20 5 CGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130728442 636504567 /nfs/dbraw/zinc/50/45/67/636504567.db2.gz QXHQDOIMBOBYPC-RISCZKNCSA-N 1 0 294.399 3.266 20 5 CGBDRO CSC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532061 636592749 /nfs/dbraw/zinc/59/27/49/636592749.db2.gz XVNWAKLXPQIICJ-LBPRGKRZSA-N 1 0 280.393 3.313 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1CCC1 ZINC000848535277 636593366 /nfs/dbraw/zinc/59/33/66/636593366.db2.gz YGNFYIHMHYTBSX-AWEZNQCLSA-N 1 0 260.337 3.362 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C=CCC1 ZINC000883245054 636612562 /nfs/dbraw/zinc/61/25/62/636612562.db2.gz CPPZJBBKCKKBPQ-NWDGAFQWSA-N 1 0 276.336 3.220 20 5 CGBDRO CO[C@H]1C[C@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000883262822 636634152 /nfs/dbraw/zinc/63/41/52/636634152.db2.gz VUPIIEBPWKLMMR-OKFUWFGFSA-N 1 0 290.363 3.013 20 5 CGBDRO C=C/C=C\CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883268338 636639749 /nfs/dbraw/zinc/63/97/49/636639749.db2.gz IZBJSTMLUWXCLQ-NQHOJNORSA-N 1 0 258.321 3.304 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccoc2)cc1[N+](=O)[O-] ZINC000133952097 636989559 /nfs/dbraw/zinc/98/95/59/636989559.db2.gz MYUQSPIRIVVZHH-LLVKDONJSA-N 1 0 260.293 3.347 20 5 CGBDRO COCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCCC1 ZINC000850345037 637021947 /nfs/dbraw/zinc/02/19/47/637021947.db2.gz HDIFBNWJKPCTQI-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000850450115 637070623 /nfs/dbraw/zinc/07/06/23/637070623.db2.gz CPTSMMDIBYXFAB-GHMZBOCLSA-N 1 0 278.352 3.443 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537698 637112615 /nfs/dbraw/zinc/11/26/15/637112615.db2.gz XMKKKYRYDLDPKK-RNCFNFMXSA-N 1 0 299.321 3.263 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885988012 637342580 /nfs/dbraw/zinc/34/25/80/637342580.db2.gz DHGMLHAGQBOCIR-LBPRGKRZSA-N 1 0 263.341 3.000 20 5 CGBDRO Cc1n[nH]c(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000886011316 637360196 /nfs/dbraw/zinc/36/01/96/637360196.db2.gz YGRUAWSHCARHPR-LBPRGKRZSA-N 1 0 288.351 3.094 20 5 CGBDRO CCC(CC)(CC)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886069897 637399013 /nfs/dbraw/zinc/39/90/13/637399013.db2.gz MDYBITSYLDGMBU-UHFFFAOYSA-N 1 0 251.330 3.048 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1cccs1)C1CC1 ZINC000886104520 637413917 /nfs/dbraw/zinc/41/39/17/637413917.db2.gz DTDIMLFJCBODDH-ZDUSSCGKSA-N 1 0 289.360 3.292 20 5 CGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852711854 637698552 /nfs/dbraw/zinc/69/85/52/637698552.db2.gz JNKUWUGTXFKHCU-BJJXKVORSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886834615 637711903 /nfs/dbraw/zinc/71/19/03/637711903.db2.gz AYCLVFYJPIILCT-XPKDYRNWSA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1ccc(CN[C@H](c2ccccc2)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000925735114 638587645 /nfs/dbraw/zinc/58/76/45/638587645.db2.gz SYDQACCZDRJWGZ-DYVFJYSZSA-N 1 0 299.374 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CCCOC2)c1 ZINC000858208082 638657334 /nfs/dbraw/zinc/65/73/34/638657334.db2.gz ZPDOYRIDFGIQIL-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000926268838 638757357 /nfs/dbraw/zinc/75/73/57/638757357.db2.gz IUJVPPXKKGJBQC-GDBMZVCRSA-N 1 0 294.395 3.323 20 5 CGBDRO Cc1cnc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000926954037 638828910 /nfs/dbraw/zinc/82/89/10/638828910.db2.gz HEKMKYJBBAFGQY-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193415755 640456361 /nfs/dbraw/zinc/45/63/61/640456361.db2.gz SCQIWPLUXWEWEO-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246215299 640665250 /nfs/dbraw/zinc/66/52/50/640665250.db2.gz CVIOWJJXELZVET-DVOMOZLQSA-N 1 0 292.379 3.139 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC001251761966 805930924 /nfs/dbraw/zinc/93/09/24/805930924.db2.gz WAOZYAVNZDVMDO-UONOGXRCSA-N 1 0 281.331 3.019 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1 ZINC001254530880 806444246 /nfs/dbraw/zinc/44/42/46/806444246.db2.gz BLFMKXOWXHGAQL-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001254534659 806445430 /nfs/dbraw/zinc/44/54/30/806445430.db2.gz ZZDQGJRVXOAGBK-NSHDSACASA-N 1 0 274.320 3.217 20 5 CGBDRO CCCCOCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540353 806446801 /nfs/dbraw/zinc/44/68/01/806446801.db2.gz RWQPFMXVZXGBAH-AWEZNQCLSA-N 1 0 294.395 3.322 20 5 CGBDRO CC[N@H+](Cc1ccncc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551093 806447462 /nfs/dbraw/zinc/44/74/62/806447462.db2.gz XSTOHFOBJDFFPL-AWEZNQCLSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)CC(F)(F)C2 ZINC001254550636 806447633 /nfs/dbraw/zinc/44/76/33/806447633.db2.gz NSTZLBASJQZJSN-LLVKDONJSA-N 1 0 296.317 3.257 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC2CCC1CC2 ZINC001254560609 806451012 /nfs/dbraw/zinc/45/10/12/806451012.db2.gz WMMFHLLYUISVRA-DNOWBOINSA-N 1 0 274.364 3.400 20 5 CGBDRO CC(C)C([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001254576578 806454343 /nfs/dbraw/zinc/45/43/43/806454343.db2.gz XWWZHRUJUIUNTR-AWEZNQCLSA-N 1 0 276.380 3.332 20 5 CGBDRO CC(C)C[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580752 806456042 /nfs/dbraw/zinc/45/60/42/806456042.db2.gz FMIVFRHKCNKVLW-FZMZJTMJSA-N 1 0 262.353 3.086 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)C2 ZINC001254596865 806457298 /nfs/dbraw/zinc/45/72/98/806457298.db2.gz GFBKXXLNUAOOQG-GRDNDAEWSA-N 1 0 286.375 3.184 20 5 CGBDRO Cc1cccc2c1C[N@@H+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596827 806457331 /nfs/dbraw/zinc/45/73/31/806457331.db2.gz GCDSBRWEKWHRDU-QGZVFWFLSA-N 1 0 294.354 3.386 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1-n1c2ccccc2nc1[C@@H](C)[NH3+] ZINC001162764995 806660725 /nfs/dbraw/zinc/66/07/25/806660725.db2.gz CIOJGUHCVNNONC-LLVKDONJSA-N 1 0 296.330 3.262 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(-n2ccc3cc([C@@H](C)[NH3+])ccc32)n1 ZINC001162908490 806684530 /nfs/dbraw/zinc/68/45/30/806684530.db2.gz GWNZFLMRUFXTRM-LLVKDONJSA-N 1 0 296.330 3.262 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000689703225 799767916 /nfs/dbraw/zinc/76/79/16/799767916.db2.gz FQABSMHGHOVQMR-NSHDSACASA-N 1 0 290.697 3.383 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000691840238 799787862 /nfs/dbraw/zinc/78/78/62/799787862.db2.gz KBZHXAMCPGWRRL-GFCCVEGCSA-N 1 0 298.770 3.295 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000691840249 799788608 /nfs/dbraw/zinc/78/86/08/799788608.db2.gz KBZHXAMCPGWRRL-LBPRGKRZSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000693777429 799815317 /nfs/dbraw/zinc/81/53/17/799815317.db2.gz PECNAQPTFFLCPY-SNVBAGLBSA-N 1 0 298.433 3.442 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1ccns1 ZINC000709834709 800019814 /nfs/dbraw/zinc/01/98/14/800019814.db2.gz DKVISRLRPVRUTG-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C=CCC2)c(Cl)c1 ZINC000711683693 800069946 /nfs/dbraw/zinc/06/99/46/800069946.db2.gz DSUBIASTKUWEGZ-JTQLQIEISA-N 1 0 266.728 3.304 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000716890262 800184131 /nfs/dbraw/zinc/18/41/31/800184131.db2.gz IFBOSFITJXPEMF-OUCADQQQSA-N 1 0 280.368 3.103 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000718738498 800220624 /nfs/dbraw/zinc/22/06/24/800220624.db2.gz YPZQJKSFOHDHJL-DZGCQCFKSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886830121 800546928 /nfs/dbraw/zinc/54/69/28/800546928.db2.gz MIWIMYMCCXRDHN-DVOMOZLQSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@H]([NH2+]CCCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001119540020 802677767 /nfs/dbraw/zinc/67/77/67/802677767.db2.gz DDDJDXJAYJPSPR-VIFPVBQESA-N 1 0 258.268 3.291 20 5 CGBDRO CCCC[NH+](CCCC)CCNc1ccc([N+](=O)[O-])cn1 ZINC001167731959 807235275 /nfs/dbraw/zinc/23/52/75/807235275.db2.gz FXKKPKOMXWUPKZ-UHFFFAOYSA-N 1 0 294.399 3.304 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)CC(C)(C)C1 ZINC001168424941 807410418 /nfs/dbraw/zinc/41/04/18/807410418.db2.gz YNESSBWZWCUDNB-LBPRGKRZSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956865 807541454 /nfs/dbraw/zinc/54/14/54/807541454.db2.gz GFWYMLKBCSZFCI-BMFZPTHFSA-N 1 0 276.380 3.043 20 5 CGBDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168961605 807541976 /nfs/dbraw/zinc/54/19/76/807541976.db2.gz JAXJSJOKQAMDOR-YWPYICTPSA-N 1 0 287.363 3.279 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001168979467 807545699 /nfs/dbraw/zinc/54/56/99/807545699.db2.gz YGVYUJATQDMWKY-JOYOIKCWSA-N 1 0 286.734 3.014 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168979896 807545984 /nfs/dbraw/zinc/54/59/84/807545984.db2.gz BZLMBQXOKXAURG-YGRLFVJLSA-N 1 0 298.333 3.235 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC001168978957 807546100 /nfs/dbraw/zinc/54/61/00/807546100.db2.gz VWNGNPKWRADQNY-GXTWGEPZSA-N 1 0 290.388 3.436 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1F ZINC001168990321 807548153 /nfs/dbraw/zinc/54/81/53/807548153.db2.gz BOICSZHHMQKSIN-VWYCJHECSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC001168996101 807549394 /nfs/dbraw/zinc/54/93/94/807549394.db2.gz VBXXRPFOQMCDFF-JKSUJKDBSA-N 1 0 288.391 3.044 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021874 807554430 /nfs/dbraw/zinc/55/44/30/807554430.db2.gz ASWRGDVIOMMHSX-KBMXLJTQSA-N 1 0 289.379 3.054 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001169038164 807556832 /nfs/dbraw/zinc/55/68/32/807556832.db2.gz WJJNSBCDKXFRMS-INWMFGNUSA-N 1 0 292.354 3.060 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042144 807556856 /nfs/dbraw/zinc/55/68/56/807556856.db2.gz DDVYIDKLLMXOMY-APIJFGDWSA-N 1 0 286.375 3.019 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047019 807559160 /nfs/dbraw/zinc/55/91/60/807559160.db2.gz PQQYCQWUEJEOND-WCQYABFASA-N 1 0 298.333 3.232 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H](C)c1cnccn1 ZINC001169532456 807656246 /nfs/dbraw/zinc/65/62/46/807656246.db2.gz GBNFZEKLJCYULM-CQSZACIVSA-N 1 0 285.415 3.246 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]C(C)(C)C2CC2)c([N+](=O)[O-])c1 ZINC001170300353 807820730 /nfs/dbraw/zinc/82/07/30/807820730.db2.gz ZKTNMMWJEVJDCO-NSHDSACASA-N 1 0 292.379 3.313 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001170326440 807827260 /nfs/dbraw/zinc/82/72/60/807827260.db2.gz JTSQQTJMMSVKSH-RYUDHWBXSA-N 1 0 292.379 3.313 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912357 808477866 /nfs/dbraw/zinc/47/78/66/808477866.db2.gz NKBIVMCFEAULTN-ZFWWWQNUSA-N 1 0 274.364 3.230 20 5 CGBDRO CC/C=C/[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193739 808533073 /nfs/dbraw/zinc/53/30/73/808533073.db2.gz WOJCUFDJAFYZBN-VHODGJRUSA-N 1 0 282.315 3.187 20 5 CGBDRO COC1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173217865 808538620 /nfs/dbraw/zinc/53/86/20/808538620.db2.gz MTAWPQYKPSXEOG-YGONEPDPSA-N 1 0 292.379 3.073 20 5 CGBDRO C[NH2+]Cc1ccc(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173228191 808541066 /nfs/dbraw/zinc/54/10/66/808541066.db2.gz UGBAJKWWACGTSE-CYBMUJFWSA-N 1 0 299.374 3.357 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001173227105 808541725 /nfs/dbraw/zinc/54/17/25/808541725.db2.gz OCVXFYMDCWBZDQ-BXUZGUMPSA-N 1 0 296.317 3.257 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](CF)C1 ZINC001173228853 808541763 /nfs/dbraw/zinc/54/17/63/808541763.db2.gz ZKEYYIKFCDWFGZ-TZMCWYRMSA-N 1 0 280.343 3.207 20 5 CGBDRO C[N@@H+]1CCc2ccc(Nc3ccc([N+](=O)[O-])cc3)cc2C1 ZINC001174480840 809035718 /nfs/dbraw/zinc/03/57/18/809035718.db2.gz VYCROTJURPKSDY-UHFFFAOYSA-N 1 0 283.331 3.326 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001192781615 810819876 /nfs/dbraw/zinc/81/98/76/810819876.db2.gz ZIMGSAJYZYRTOD-CQSZACIVSA-N 1 0 282.771 3.438 20 5 CGBDRO COc1cc(C[NH2+][C@@H](C)C2(C)CC2)c([N+](=O)[O-])cc1F ZINC001198407526 811499482 /nfs/dbraw/zinc/49/94/82/811499482.db2.gz WFARGCHBLMKZCG-VIFPVBQESA-N 1 0 282.315 3.021 20 5 CGBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@@H]1C=CC[NH2+]C1 ZINC001217883173 815988372 /nfs/dbraw/zinc/98/83/72/815988372.db2.gz QIARGCSJPDNWKG-CQSZACIVSA-N 1 0 290.366 3.433 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001217967987 816021661 /nfs/dbraw/zinc/02/16/61/816021661.db2.gz MKYQAJUGOWYRFT-PXAZEXFGSA-N 1 0 298.342 3.249 20 5 CGBDRO F[C@H]1C[NH2+]C[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218014594 816054255 /nfs/dbraw/zinc/05/42/55/816054255.db2.gz CGENKGASSLBCAF-ZFWWWQNUSA-N 1 0 282.318 3.077 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218036003 816067124 /nfs/dbraw/zinc/06/71/24/816067124.db2.gz RAKIUFQAOBPTCA-SJKOYZFVSA-N 1 0 278.355 3.375 20 5 CGBDRO C[C@@H]1C[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C[NH2+]1 ZINC001218044415 816071267 /nfs/dbraw/zinc/07/12/67/816071267.db2.gz CJIXHSVFWAVJIX-RQJHMYQMSA-N 1 0 291.134 3.031 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CCC23CC[NH2+]CC3)c1 ZINC001218083726 816089718 /nfs/dbraw/zinc/08/97/18/816089718.db2.gz VRBNMCCPBHYIMM-CYBMUJFWSA-N 1 0 296.754 3.159 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(C)cc(C)cc2[N+](=O)[O-])CC1 ZINC001218186765 816120101 /nfs/dbraw/zinc/12/01/01/816120101.db2.gz BVANZHQYVPEXGC-JOCQHMNTSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218247980 816140411 /nfs/dbraw/zinc/14/04/11/816140411.db2.gz FLBGALMHPWAUOA-MGPQQGTHSA-N 1 0 290.363 3.039 20 5 CGBDRO C[C@@H]1CC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C[NH2+]1 ZINC001218400330 816193539 /nfs/dbraw/zinc/19/35/39/816193539.db2.gz DHHQYINQCNZVEK-TZMCWYRMSA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Cl ZINC001218402747 816195628 /nfs/dbraw/zinc/19/56/28/816195628.db2.gz VDOXMAKDYDUFNK-ZJUUUORDSA-N 1 0 284.743 3.076 20 5 CGBDRO C[C@H]1CC[C@@H](Oc2cccc3nc4ccccc4nc32)C[NH2+]1 ZINC001218405284 816197413 /nfs/dbraw/zinc/19/74/13/816197413.db2.gz LSETWKIGWPYRMR-QWHCGFSZSA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218408778 816200363 /nfs/dbraw/zinc/20/03/63/816200363.db2.gz SWNBROYWGOGYFL-GWCFXTLKSA-N 1 0 278.352 3.039 20 5 CGBDRO Cc1cc(O[C@H]2C[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC001218488669 816243505 /nfs/dbraw/zinc/24/35/05/816243505.db2.gz KZGVBIRICYGYTI-KRWDZBQOSA-N 1 0 298.342 3.435 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1cc(-c2cccs2)on1 ZINC001223660041 816664075 /nfs/dbraw/zinc/66/40/75/816664075.db2.gz YLPJJQFJUSZCNX-NSHDSACASA-N 1 0 281.401 3.014 20 5 CGBDRO CC[NH+](CC)CCO[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001224927012 816910197 /nfs/dbraw/zinc/91/01/97/816910197.db2.gz CLKHPLWRICAFSO-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO Cc1c(OC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC001225689506 817141926 /nfs/dbraw/zinc/14/19/26/817141926.db2.gz JEANKPKILJQHQD-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1c(O[C@H]2CC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC001225689926 817143501 /nfs/dbraw/zinc/14/35/01/817143501.db2.gz RJFUGOZQDCZUIX-JOCQHMNTSA-N 1 0 278.352 3.155 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225714123 817153734 /nfs/dbraw/zinc/15/37/34/817153734.db2.gz ZHTRCTRMLSLZKV-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(=O)c1ccccc1 ZINC001225978469 817236384 /nfs/dbraw/zinc/23/63/84/817236384.db2.gz MDAZNRYUQHUGBQ-OAHLLOKOSA-N 1 0 298.406 3.391 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762934 817457450 /nfs/dbraw/zinc/45/74/50/817457450.db2.gz YLFZJDBZMKRVRZ-GFCCVEGCSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc(C)c(O[C@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001227116148 817563971 /nfs/dbraw/zinc/56/39/71/817563971.db2.gz KAHOLGRIAZVLAQ-CQSZACIVSA-N 1 0 273.400 3.325 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758932 818000270 /nfs/dbraw/zinc/00/02/70/818000270.db2.gz OETDLZCJIIMPSG-GFCCVEGCSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@H]1CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217889 818283327 /nfs/dbraw/zinc/28/33/27/818283327.db2.gz BFJONXGEIUSOAI-LBPRGKRZSA-N 1 0 263.344 3.377 20 5 CGBDRO CC(C)c1cc2c(ncnc2O[C@@H](C)C[N+](C)(C)C)s1 ZINC001233811422 818711316 /nfs/dbraw/zinc/71/13/16/818711316.db2.gz UKBSNRNOCSUILN-NSHDSACASA-N 1 0 294.444 3.288 20 5 CGBDRO Cc1c(Cl)ccc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234223458 818806422 /nfs/dbraw/zinc/80/64/22/818806422.db2.gz NUEFEUNCVBDTAV-SECBINFHSA-N 1 0 260.760 3.261 20 5 CGBDRO CSc1cccc(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234253942 818817321 /nfs/dbraw/zinc/81/73/21/818817321.db2.gz ONKQLFHUILDBHE-JTQLQIEISA-N 1 0 258.382 3.021 20 5 CGBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)c1Cl ZINC001234942225 818959629 /nfs/dbraw/zinc/95/96/29/818959629.db2.gz IOGIXMGHDMTGDD-NSHDSACASA-N 1 0 256.797 3.430 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230917171 928074975 /nfs/dbraw/zinc/07/49/75/928074975.db2.gz HEVODFYUNLBMAH-JTQLQIEISA-N 1 0 284.743 3.111 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC001308135602 928813411 /nfs/dbraw/zinc/81/34/11/928813411.db2.gz RBBVBUWOYMIIPY-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO Cc1cccc2c1ccnc2O[C@H](C)C[N+](C)(C)C ZINC001229044444 932079286 /nfs/dbraw/zinc/07/92/86/932079286.db2.gz SRZFGNNVOZXJCZ-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229376834 932142061 /nfs/dbraw/zinc/14/20/61/932142061.db2.gz KZVGKLMFZRYYAZ-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)ccc1C(F)(F)F ZINC001229839699 932491929 /nfs/dbraw/zinc/49/19/29/932491929.db2.gz PQOXEEMRGUQYGL-SECBINFHSA-N 1 0 280.285 3.318 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001229882314 932497370 /nfs/dbraw/zinc/49/73/70/932497370.db2.gz LPZBXFRDFSXCHL-CYBMUJFWSA-N 1 0 278.352 3.073 20 5 CGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1C ZINC001230471971 932576188 /nfs/dbraw/zinc/57/61/88/932576188.db2.gz WWERKRBBTAPZJY-AGGWBTHJSA-N 1 0 290.363 3.216 20 5 CGBDRO CCCC[N@H+](CCOC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461982352 937611113 /nfs/dbraw/zinc/61/11/13/937611113.db2.gz JBTQNPAKUOWKOY-UHFFFAOYSA-N 1 0 294.395 3.460 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915521 932641835 /nfs/dbraw/zinc/64/18/35/932641835.db2.gz QVTLNIZDIYQPPH-JTQLQIEISA-N 1 0 284.743 3.110 20 5 CGBDRO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001306932373 932897207 /nfs/dbraw/zinc/89/72/07/932897207.db2.gz UHQRFTRVXJECJM-VXGBXAGGSA-N 1 0 295.358 3.409 20 5 CGBDRO CN(CCCC[NH+]1CCCCC1)c1sccc1[N+](=O)[O-] ZINC001307196391 932927902 /nfs/dbraw/zinc/92/79/02/932927902.db2.gz SJQSQRHVXSJJMP-UHFFFAOYSA-N 1 0 297.424 3.359 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc(N)c1)c1ccc([N+](=O)[O-])cc1 ZINC001308067591 933042472 /nfs/dbraw/zinc/04/24/72/933042472.db2.gz HSUFNOFTGYDJIM-NSHDSACASA-N 1 0 271.320 3.028 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CN(CCc1ccc(F)cc1)C2 ZINC001323568518 934408210 /nfs/dbraw/zinc/40/82/10/934408210.db2.gz SXJLFEIYACKJRJ-UHFFFAOYSA-N 1 0 286.306 3.292 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C\C1CC1)C1CC1 ZINC001324240408 934475415 /nfs/dbraw/zinc/47/54/15/934475415.db2.gz WFGOQXPOCUMDEC-QGZUEGPWSA-N 1 0 286.375 3.472 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/C1CC1 ZINC001326288066 934966622 /nfs/dbraw/zinc/96/66/22/934966622.db2.gz ZUTOEDDTULEGLD-IHVVCDCBSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@@H]([NH2+]CCCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC001334040090 936081014 /nfs/dbraw/zinc/08/10/14/936081014.db2.gz HQCCVDSVOSFXDG-SECBINFHSA-N 1 0 258.268 3.291 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC001474426418 937859281 /nfs/dbraw/zinc/85/92/81/937859281.db2.gz YITWRMBDPXPZAT-VIFPVBQESA-N 1 0 295.339 3.084 20 5 CGBDRO O=[N+]([O-])c1sccc1NCCC[NH2+]C1CCCCC1 ZINC001559064773 938219671 /nfs/dbraw/zinc/21/96/71/938219671.db2.gz BKGHKJJSWKSJOY-UHFFFAOYSA-N 1 0 283.397 3.381 20 5 CGBDRO C[C@@H]1CCCC[C@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001560809693 938277148 /nfs/dbraw/zinc/27/71/48/938277148.db2.gz VIOPBAVMOAKADL-KGLIPLIRSA-N 1 0 291.395 3.186 20 5 CGBDRO CC[NH+](CC)CCSc1cccc([N+](=O)[O-])c1 ZINC000337758409 214249399 /nfs/dbraw/zinc/24/93/99/214249399.db2.gz NGZZHPDLXLJCLV-UHFFFAOYSA-N 1 0 254.355 3.029 20 5 CGBDRO COCC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000337946481 214325131 /nfs/dbraw/zinc/32/51/31/214325131.db2.gz NLSJJHFEGHDZKP-AWEZNQCLSA-N 1 0 280.368 3.136 20 5 CGBDRO CC[C@@H](F)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440604492 529553795 /nfs/dbraw/zinc/55/37/95/529553795.db2.gz SXRNZUJUPOJJJD-CMPLNLGQSA-N 1 0 254.305 3.302 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000163394453 529621179 /nfs/dbraw/zinc/62/11/79/529621179.db2.gz JIUXDMDVGQYETL-RCBQFDQVSA-N 1 0 292.379 3.187 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC=CC1 ZINC000591501520 346927164 /nfs/dbraw/zinc/92/71/64/346927164.db2.gz JKKOTAYHPJMWEJ-FMIVXFBMSA-N 1 0 258.321 3.306 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358175899 529690107 /nfs/dbraw/zinc/69/01/07/529690107.db2.gz ZXOZZNLAXLGSIX-OCCSQVGLSA-N 1 0 280.368 3.105 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CCSC ZINC000126452044 187241232 /nfs/dbraw/zinc/24/12/32/187241232.db2.gz ZXOGJYBQLIXDRT-LLVKDONJSA-N 1 0 298.408 3.177 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592378739 346980963 /nfs/dbraw/zinc/98/09/63/346980963.db2.gz AHZSINLINHHKTH-BNHDAMHGSA-N 1 0 278.377 3.092 20 5 CGBDRO CS[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000128126985 187352682 /nfs/dbraw/zinc/35/26/82/187352682.db2.gz BBJABLJTIUIARQ-QMMMGPOBSA-N 1 0 274.773 3.089 20 5 CGBDRO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593321530 347063112 /nfs/dbraw/zinc/06/31/12/347063112.db2.gz YOPIRMXDIIZIOA-SWLSCSKDSA-N 1 0 297.358 3.282 20 5 CGBDRO CC1CCC([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000038079348 344954933 /nfs/dbraw/zinc/95/49/33/344954933.db2.gz NBQINYGRUMHTHN-UHFFFAOYSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1cc(N[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000043570070 345000981 /nfs/dbraw/zinc/00/09/81/345000981.db2.gz YMAXRIDCBGEMPR-GFCCVEGCSA-N 1 0 277.368 3.045 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352101 345081431 /nfs/dbraw/zinc/08/14/31/345081431.db2.gz YAKIEPLNMZJLBC-LLVKDONJSA-N 1 0 297.786 3.390 20 5 CGBDRO CCC[C@H](CC)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050403432 345082130 /nfs/dbraw/zinc/08/21/30/345082130.db2.gz IPVTXCLKAJKTLL-LBPRGKRZSA-N 1 0 266.341 3.142 20 5 CGBDRO COc1ccc(C[N@H+](C)Cc2cccs2)cc1[N+](=O)[O-] ZINC000051383023 345088982 /nfs/dbraw/zinc/08/89/82/345088982.db2.gz STUNIBHESWTXQA-UHFFFAOYSA-N 1 0 292.360 3.297 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CO)CCCCC1 ZINC000053096933 345114367 /nfs/dbraw/zinc/11/43/67/345114367.db2.gz WGOASKPFAXRRMH-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000063738886 345252650 /nfs/dbraw/zinc/25/26/50/345252650.db2.gz QKBABPAOQGVACV-GFCCVEGCSA-N 1 0 295.358 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000077378624 345570781 /nfs/dbraw/zinc/57/07/81/345570781.db2.gz YFWYYJCFHXAPGH-UHFFFAOYSA-N 1 0 268.316 3.374 20 5 CGBDRO CSCCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075597884 345514390 /nfs/dbraw/zinc/51/43/90/345514390.db2.gz JUKPUGUJGMPFES-NSHDSACASA-N 1 0 268.382 3.341 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077994971 345588113 /nfs/dbraw/zinc/58/81/13/345588113.db2.gz FGQGSYJUQIJFAG-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CCC[C@H]([NH2+]CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087016193 345751978 /nfs/dbraw/zinc/75/19/78/345751978.db2.gz SMPYXHWOMFORSZ-HNNXBMFYSA-N 1 0 292.379 3.331 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+](CC1CC1)CC1CC1 ZINC000115563951 345972202 /nfs/dbraw/zinc/97/22/02/345972202.db2.gz MLVVZUJOLZKCCO-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1cccc([N+](=O)[O-])c1C)CCCC2 ZINC000130549298 346058384 /nfs/dbraw/zinc/05/83/84/346058384.db2.gz PGNVQPDJSWFLHQ-UHFFFAOYSA-N 1 0 285.347 3.335 20 5 CGBDRO Cc1cc(OCCOc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000128177082 346038240 /nfs/dbraw/zinc/03/82/40/346038240.db2.gz LCIJPLQEHNRIRR-UHFFFAOYSA-N 1 0 288.303 3.064 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000177549664 232370296 /nfs/dbraw/zinc/37/02/96/232370296.db2.gz VAGZVHOBRKTSQS-OKILXGFUSA-N 1 0 260.337 3.217 20 5 CGBDRO CSCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000237509231 346346093 /nfs/dbraw/zinc/34/60/93/346346093.db2.gz MKQYOZRAJLYCBG-UHFFFAOYSA-N 1 0 292.360 3.307 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000270707576 190782120 /nfs/dbraw/zinc/78/21/20/190782120.db2.gz ZNBMRRZEJXOICZ-NEPJUHHUSA-N 1 0 298.408 3.340 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000585726004 346727834 /nfs/dbraw/zinc/72/78/34/346727834.db2.gz HWMXLLIIUMYDAM-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000584808168 346716006 /nfs/dbraw/zinc/71/60/06/346716006.db2.gz FUMDZRZVPYLZCE-CYBMUJFWSA-N 1 0 282.409 3.477 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000583956722 346681099 /nfs/dbraw/zinc/68/10/99/346681099.db2.gz TZOLZZUGCCXTRA-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCC2(CO)CCC2)cccc1[N+](=O)[O-] ZINC000593718231 347107575 /nfs/dbraw/zinc/10/75/75/347107575.db2.gz BXFSEKHUOSZZDO-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718093 347107790 /nfs/dbraw/zinc/10/77/90/347107790.db2.gz KBDIAZCPEVGTML-QWHCGFSZSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000594710835 347212079 /nfs/dbraw/zinc/21/20/79/347212079.db2.gz MNDIADLAHDYAKP-QWHCGFSZSA-N 1 0 285.347 3.444 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594519834 347188177 /nfs/dbraw/zinc/18/81/77/347188177.db2.gz LTBIGSZGISMMEQ-HOTGVXAUSA-N 1 0 292.379 3.341 20 5 CGBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc([N+](=O)[O-])cc1C ZINC000594999537 347253173 /nfs/dbraw/zinc/25/31/73/347253173.db2.gz BENXXVNVXYTYGO-UHFFFAOYSA-N 1 0 293.411 3.113 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594956920 347240135 /nfs/dbraw/zinc/24/01/35/347240135.db2.gz XXZQGFVREHJXQF-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594961090 347242185 /nfs/dbraw/zinc/24/21/85/347242185.db2.gz DZMJDNFFHNAFNF-ZDUSSCGKSA-N 1 0 292.379 3.375 20 5 CGBDRO CC(C)CC[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293249 347287528 /nfs/dbraw/zinc/28/75/28/347287528.db2.gz ILTWEOVLLFXDQX-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000595297143 347288517 /nfs/dbraw/zinc/28/85/17/347288517.db2.gz BNNQRDMHVFHVTH-UHFFFAOYSA-N 1 0 278.327 3.354 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595337595 347293797 /nfs/dbraw/zinc/29/37/97/347293797.db2.gz BJWAXAFJGQRACA-LLVKDONJSA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1nc(CN(Cc2cccc([N+](=O)[O-])c2)C2CC2)co1 ZINC000595351790 347295762 /nfs/dbraw/zinc/29/57/62/347295762.db2.gz HPGPZWLERPLOTM-UHFFFAOYSA-N 1 0 287.319 3.056 20 5 CGBDRO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000595378380 347296777 /nfs/dbraw/zinc/29/67/77/347296777.db2.gz SIRXNSXYVBREJO-UHFFFAOYSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000595040927 347266204 /nfs/dbraw/zinc/26/62/04/347266204.db2.gz NLZUYQGDMMUPBR-CYBMUJFWSA-N 1 0 280.393 3.279 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@@H]1C ZINC000595051047 347269845 /nfs/dbraw/zinc/26/98/45/347269845.db2.gz RWDWCYDPZKRSSS-KWBADKCTSA-N 1 0 264.325 3.053 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000595092635 347280913 /nfs/dbraw/zinc/28/09/13/347280913.db2.gz MMWIZAUVFZQRRF-HSBZDZAISA-N 1 0 292.379 3.105 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000595422433 347300899 /nfs/dbraw/zinc/30/08/99/347300899.db2.gz XVYRQLUOZGVSNT-MLGOLLRUSA-N 1 0 292.379 3.369 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595096474 347282678 /nfs/dbraw/zinc/28/26/78/347282678.db2.gz ZNFPPUHNYVQVDE-LRDDRELGSA-N 1 0 292.379 3.451 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595452427 347306199 /nfs/dbraw/zinc/30/61/99/347306199.db2.gz LBVHURRLNGIZSP-CYBMUJFWSA-N 1 0 266.316 3.402 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483058 347310376 /nfs/dbraw/zinc/31/03/76/347310376.db2.gz FDWRHYCYOQDXPS-OCCSQVGLSA-N 1 0 298.383 3.498 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596307324 347413848 /nfs/dbraw/zinc/41/38/48/347413848.db2.gz KPBNSOFCZFOZQE-LLVKDONJSA-N 1 0 295.358 3.266 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CC(C)C)CC1 ZINC000595831772 347362818 /nfs/dbraw/zinc/36/28/18/347362818.db2.gz SCWZAZIMDFDQBJ-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596480522 347465374 /nfs/dbraw/zinc/46/53/74/347465374.db2.gz RCEQCNBGNAXHJP-NSHDSACASA-N 1 0 295.408 3.475 20 5 CGBDRO Nc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000596652719 347498446 /nfs/dbraw/zinc/49/84/46/347498446.db2.gz XIJKBULRZVYDJZ-KRWDZBQOSA-N 1 0 297.358 3.344 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000597221553 347556524 /nfs/dbraw/zinc/55/65/24/347556524.db2.gz RCQRQPXAWRINOK-UYHMYPTGSA-N 1 0 274.364 3.304 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1=CCSC1 ZINC000597243866 347562270 /nfs/dbraw/zinc/56/22/70/347562270.db2.gz IJQMAIKTLWIARO-UHFFFAOYSA-N 1 0 278.377 3.008 20 5 CGBDRO Cc1ccc(C[N@H+](C)CC2=CCSC2)cc1[N+](=O)[O-] ZINC000597243198 347562549 /nfs/dbraw/zinc/56/25/49/347562549.db2.gz HGHVWCOXKILSMU-UHFFFAOYSA-N 1 0 278.377 3.008 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)c(Cl)c1 ZINC000598650523 347675647 /nfs/dbraw/zinc/67/56/47/347675647.db2.gz ZGDZZPBWAIAEAO-SECBINFHSA-N 1 0 290.697 3.383 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1CC=CC1 ZINC000598992023 347704475 /nfs/dbraw/zinc/70/44/75/347704475.db2.gz JNAJVFLDWFJSPN-UITAMQMPSA-N 1 0 258.321 3.164 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC=CCC2)cc1 ZINC000599001620 347705735 /nfs/dbraw/zinc/70/57/35/347705735.db2.gz VNVAHIIECUXXHY-ZDUSSCGKSA-N 1 0 260.337 3.431 20 5 CGBDRO CCC(F)(F)CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599069076 347713847 /nfs/dbraw/zinc/71/38/47/347713847.db2.gz TXBRARGHLDLUHJ-VIFPVBQESA-N 1 0 258.268 3.291 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599091552 347716277 /nfs/dbraw/zinc/71/62/77/347716277.db2.gz JIWHYXPGAWUWGI-MAZHCROVSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599093681 347716485 /nfs/dbraw/zinc/71/64/85/347716485.db2.gz VNKQWIQVINKNAT-QEJZJMRPSA-N 1 0 278.352 3.203 20 5 CGBDRO CCO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000599426001 347742982 /nfs/dbraw/zinc/74/29/82/347742982.db2.gz TVRAVBLYHGPPPT-OAHLLOKOSA-N 1 0 292.379 3.235 20 5 CGBDRO C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599511633 347748984 /nfs/dbraw/zinc/74/89/84/347748984.db2.gz BKLOMQXRHDNUDO-TXEJJXNPSA-N 1 0 298.333 3.360 20 5 CGBDRO C[C@@H]1CC(F)(F)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000599621601 347758929 /nfs/dbraw/zinc/75/89/29/347758929.db2.gz BPFXAXXHFBYBKT-SECBINFHSA-N 1 0 288.269 3.354 20 5 CGBDRO Cc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601149505 347875591 /nfs/dbraw/zinc/87/55/91/347875591.db2.gz NBLFLHAMYIGHPK-ZFWWWQNUSA-N 1 0 260.337 3.326 20 5 CGBDRO CCn1ccnc1[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000601171378 347877203 /nfs/dbraw/zinc/87/72/03/347877203.db2.gz KLBIGRMNTXGSMJ-QMMMGPOBSA-N 1 0 266.326 3.046 20 5 CGBDRO CC(C)(F)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601287254 347888841 /nfs/dbraw/zinc/88/88/41/347888841.db2.gz FRFXLNHFMKLXGJ-ZDUSSCGKSA-N 1 0 280.343 3.254 20 5 CGBDRO CCCCC[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783788 348028390 /nfs/dbraw/zinc/02/83/90/348028390.db2.gz MIYWIURYPYLQNP-CQSZACIVSA-N 1 0 294.399 3.144 20 5 CGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000602659119 348002941 /nfs/dbraw/zinc/00/29/41/348002941.db2.gz NTRYUSXCCZUYGB-UHFFFAOYSA-N 1 0 290.285 3.315 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(c2ccccc2)C1 ZINC000602727556 348019126 /nfs/dbraw/zinc/01/91/26/348019126.db2.gz CTPOKBJBXDULLB-UHFFFAOYSA-N 1 0 268.316 3.194 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCO2)cc1[N+](=O)[O-] ZINC000602564285 347983069 /nfs/dbraw/zinc/98/30/69/347983069.db2.gz SDCXQVRQIQXNGQ-TZMCWYRMSA-N 1 0 278.352 3.123 20 5 CGBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602815946 348033092 /nfs/dbraw/zinc/03/30/92/348033092.db2.gz MSGHLPOFEZLXRL-TZMCWYRMSA-N 1 0 294.399 3.023 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@H](C)C1 ZINC000604409297 348119576 /nfs/dbraw/zinc/11/95/76/348119576.db2.gz RXJNPWWOSBOQQO-WDEREUQCSA-N 1 0 283.397 3.189 20 5 CGBDRO CC(C)[N@H+](C)CC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000609560416 348346313 /nfs/dbraw/zinc/34/63/13/348346313.db2.gz RFZAEKFEOIEGDM-UHFFFAOYSA-N 1 0 297.424 3.213 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000610717451 348398621 /nfs/dbraw/zinc/39/86/21/348398621.db2.gz RUQMGPWBGXXYKB-OAHLLOKOSA-N 1 0 292.379 3.280 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000610717432 348399110 /nfs/dbraw/zinc/39/91/10/348399110.db2.gz MXHGXJFHVOWTPF-GFCCVEGCSA-N 1 0 298.408 3.341 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCC(F)(F)C1 ZINC000610787799 348403401 /nfs/dbraw/zinc/40/34/01/348403401.db2.gz RSODYTYQKBITSK-FHMRSRPSSA-N 1 0 282.290 3.385 20 5 CGBDRO CCC1(O)CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611327603 348438424 /nfs/dbraw/zinc/43/84/24/348438424.db2.gz LUZIXQFCRPYEEK-YGONEPDPSA-N 1 0 292.379 3.329 20 5 CGBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000611411750 348448101 /nfs/dbraw/zinc/44/81/01/348448101.db2.gz YQYDBYUESVIMLL-MNOVXSKESA-N 1 0 283.397 3.331 20 5 CGBDRO Cc1occc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612579553 348529499 /nfs/dbraw/zinc/52/94/99/348529499.db2.gz LFAJWWRXPVXSJL-UHFFFAOYSA-N 1 0 260.293 3.094 20 5 CGBDRO C[C@@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000619845373 349287534 /nfs/dbraw/zinc/28/75/34/349287534.db2.gz VVWMKILBTSCAHH-LBPRGKRZSA-N 1 0 264.369 3.409 20 5 CGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000619845996 349287452 /nfs/dbraw/zinc/28/74/52/349287452.db2.gz KHFRDZDFKKHAKE-JTQLQIEISA-N 1 0 290.367 3.243 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271370221 191102155 /nfs/dbraw/zinc/10/21/55/191102155.db2.gz JNNYOTPDHNQGPK-IOKDEZFASA-N 1 0 290.363 3.013 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000271413344 191124599 /nfs/dbraw/zinc/12/45/99/191124599.db2.gz AKIHAMXJDJFEEK-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1CC(F)(F)C1 ZINC000291671566 198058103 /nfs/dbraw/zinc/05/81/03/198058103.db2.gz GLYWSRLBXMRSPM-HWKANZROSA-N 1 0 282.290 3.243 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000122267592 187023377 /nfs/dbraw/zinc/02/33/77/187023377.db2.gz ZGIOUSLADRJHOV-CYBMUJFWSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000131307869 187556684 /nfs/dbraw/zinc/55/66/84/187556684.db2.gz STMYCEQETUXBIQ-CABCVRRESA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC2(C)CCOCC2)cccc1[N+](=O)[O-] ZINC000271498161 191176203 /nfs/dbraw/zinc/17/62/03/191176203.db2.gz MUTZCUVQGLLRDE-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC12CCC2 ZINC000366759596 234190282 /nfs/dbraw/zinc/19/02/82/234190282.db2.gz QQMZGZBDCABZHE-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152510151 188024318 /nfs/dbraw/zinc/02/43/18/188024318.db2.gz FUQZUHNNFKCQIQ-STQMWFEESA-N 1 0 280.368 3.044 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CC(F)(F)C1 ZINC000295169426 199384213 /nfs/dbraw/zinc/38/42/13/199384213.db2.gz ICUNWGLMLIDDGC-UHFFFAOYSA-N 1 0 284.306 3.114 20 5 CGBDRO COC1(C)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271706810 191283182 /nfs/dbraw/zinc/28/31/82/191283182.db2.gz IKZHSQBMWRZYFQ-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161111192 188509038 /nfs/dbraw/zinc/50/90/38/188509038.db2.gz YPGYQBHZMGZLFL-INWMFGNUSA-N 1 0 291.395 3.118 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414195851 235361131 /nfs/dbraw/zinc/36/11/31/235361131.db2.gz JLHGBHKPCWXZNJ-DGCLKSJQSA-N 1 0 280.368 3.226 20 5 CGBDRO COC1([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414294955 235381661 /nfs/dbraw/zinc/38/16/61/235381661.db2.gz COBJIJCMKOBQLA-OLZOCXBDSA-N 1 0 292.379 3.073 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCCO)CCCC2 ZINC000417333110 235623154 /nfs/dbraw/zinc/62/31/54/235623154.db2.gz PIUCUGXRILSPDC-MRXNPFEDSA-N 1 0 292.379 3.115 20 5 CGBDRO Cc1ccc(F)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000129034915 138395653 /nfs/dbraw/zinc/39/56/53/138395653.db2.gz XHPORWSZSFEVLF-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[NH+]1CCC(C)(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000227307181 138500154 /nfs/dbraw/zinc/50/01/54/138500154.db2.gz ARROHFWTEXDXOL-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000451778430 240357832 /nfs/dbraw/zinc/35/78/32/240357832.db2.gz JXRZRIDPVVSFSY-AWEZNQCLSA-N 1 0 294.395 3.132 20 5 CGBDRO Cc1c([C@@H](C)NCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178413021 189114342 /nfs/dbraw/zinc/11/43/42/189114342.db2.gz GZOOFHOSIIVQSE-CQSZACIVSA-N 1 0 291.395 3.040 20 5 CGBDRO Cc1cccnc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449068192 239156030 /nfs/dbraw/zinc/15/60/30/239156030.db2.gz ALIZCPKZLCWRHH-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCSCC1 ZINC000449134690 239198822 /nfs/dbraw/zinc/19/88/22/239198822.db2.gz KVVHVNSWJHVSIM-LLVKDONJSA-N 1 0 280.393 3.011 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449200178 239240854 /nfs/dbraw/zinc/24/08/54/239240854.db2.gz BDYLANWXZYMTIL-CQSZACIVSA-N 1 0 299.374 3.062 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCC12CCC2 ZINC000449166600 239217332 /nfs/dbraw/zinc/21/73/32/239217332.db2.gz DZOBECGVNDBFQG-HNNXBMFYSA-N 1 0 274.364 3.450 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189339193 189530719 /nfs/dbraw/zinc/53/07/19/189530719.db2.gz CXVQYTUTPOMRHS-RCBQFDQVSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191208727 189586542 /nfs/dbraw/zinc/58/65/42/189586542.db2.gz QFAYUHDOGHWHEG-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000451455956 240306070 /nfs/dbraw/zinc/30/60/70/240306070.db2.gz KOINXEMVAIWXJQ-HNNXBMFYSA-N 1 0 290.363 3.286 20 5 CGBDRO CS[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309824 240271191 /nfs/dbraw/zinc/27/11/91/240271191.db2.gz DUGAPSXRNVQKMB-ZWNOBZJWSA-N 1 0 266.366 3.093 20 5 CGBDRO Cc1c(C[N@@H+]2CCSC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000451643814 240340372 /nfs/dbraw/zinc/34/03/72/240340372.db2.gz AAGRUJQZRPNBMG-HNNXBMFYSA-N 1 0 292.404 3.231 20 5 CGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275400260 193021761 /nfs/dbraw/zinc/02/17/61/193021761.db2.gz DQDOQKBIGXODTA-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO Cc1c(C[NH2+]C2CC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000459537755 242125253 /nfs/dbraw/zinc/12/52/53/242125253.db2.gz ZYLMRNJCUKTLLI-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459773445 242224770 /nfs/dbraw/zinc/22/47/70/242224770.db2.gz STBIVRYTGGQOKJ-UGFHNGPFSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460353619 242264796 /nfs/dbraw/zinc/26/47/96/242264796.db2.gz GWAKKAGBNGALCX-IUODEOHRSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460353620 242265068 /nfs/dbraw/zinc/26/50/68/242265068.db2.gz GWAKKAGBNGALCX-SWLSCSKDSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461944647 242318731 /nfs/dbraw/zinc/31/87/31/242318731.db2.gz APLVINDRHZSCII-LLVKDONJSA-N 1 0 297.374 3.431 20 5 CGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015030074 368689263 /nfs/dbraw/zinc/68/92/63/368689263.db2.gz YTQPRVYHQILJJO-MRXNPFEDSA-N 1 0 285.347 3.270 20 5 CGBDRO C[NH+](C)Cc1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000036979471 369045276 /nfs/dbraw/zinc/04/52/76/369045276.db2.gz AHVVSYKCDPCCJE-UHFFFAOYSA-N 1 0 285.347 3.269 20 5 CGBDRO C[NH+](C)Cc1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037141109 369068366 /nfs/dbraw/zinc/06/83/66/369068366.db2.gz HJOPIQYKNQIWJK-UHFFFAOYSA-N 1 0 285.347 3.269 20 5 CGBDRO COc1ccc(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037500179 369085975 /nfs/dbraw/zinc/08/59/75/369085975.db2.gz BHNFZZZMQWLSLT-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO C[C@H](CCc1ccco1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562626 369088792 /nfs/dbraw/zinc/08/87/92/369088792.db2.gz JLOALPHZVNNLOJ-SNVBAGLBSA-N 1 0 280.349 3.360 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775690 369109585 /nfs/dbraw/zinc/10/95/85/369109585.db2.gz HWTREISNCZKUMI-NWDGAFQWSA-N 1 0 280.368 3.449 20 5 CGBDRO [NH3+]C1(c2nc(-c3cccc([N+](=O)[O-])c3)cs2)CCCC1 ZINC000041164225 369178720 /nfs/dbraw/zinc/17/87/20/369178720.db2.gz XDTKHLBANRXFPK-UHFFFAOYSA-N 1 0 289.360 3.446 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000494237343 244273064 /nfs/dbraw/zinc/27/30/64/244273064.db2.gz KHBOXLDHIJDQAS-ZOWXZIJZSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@@H]1CCSC1)C1CC1 ZINC000495068945 244352640 /nfs/dbraw/zinc/35/26/40/244352640.db2.gz RHPIVEPIOHYMGU-LBPRGKRZSA-N 1 0 292.404 3.312 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccc(C)s2)cc1[N+](=O)[O-] ZINC000049948540 369425127 /nfs/dbraw/zinc/42/51/27/369425127.db2.gz VVLWKORTZPXTHI-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO C[NH+](C)C(C)(C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050352232 369437737 /nfs/dbraw/zinc/43/77/37/369437737.db2.gz NDIBHTNKMPVHFE-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)cc1 ZINC000060369987 369586287 /nfs/dbraw/zinc/58/62/87/369586287.db2.gz YLUFHUOBUZIKGM-INIZCTEOSA-N 1 0 297.358 3.281 20 5 CGBDRO Cc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000219152158 376197599 /nfs/dbraw/zinc/19/75/99/376197599.db2.gz TULLQYSAOUOCJZ-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000277000734 193526998 /nfs/dbraw/zinc/52/69/98/193526998.db2.gz AJWDIQMIKOZMOX-JTQLQIEISA-N 1 0 284.306 3.303 20 5 CGBDRO CC[NH+](CC)CCCNc1c(C)cccc1[N+](=O)[O-] ZINC000100724871 370281489 /nfs/dbraw/zinc/28/14/89/370281489.db2.gz PAKMEAHIBXVTIX-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO COc1ccc(C[NH+](CC2CC2)CC2CC2)cc1[N+](=O)[O-] ZINC000115563717 370534454 /nfs/dbraw/zinc/53/44/54/370534454.db2.gz BDOXJVRPXKNVSF-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000130505728 371039894 /nfs/dbraw/zinc/03/98/94/371039894.db2.gz OSCXCSPUSTYQQV-BPJJOFIESA-N 1 0 278.377 3.045 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000131308058 371096792 /nfs/dbraw/zinc/09/67/92/371096792.db2.gz STMYCEQETUXBIQ-LSDHHAIUSA-N 1 0 280.368 3.043 20 5 CGBDRO CSCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000132507414 371180619 /nfs/dbraw/zinc/18/06/19/371180619.db2.gz JNLUFHUOHVHTIA-LLVKDONJSA-N 1 0 268.382 3.307 20 5 CGBDRO CSCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000132506561 371180750 /nfs/dbraw/zinc/18/07/50/371180750.db2.gz JDWSLXYLCLHWPV-LLVKDONJSA-N 1 0 268.382 3.307 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000133262901 371240400 /nfs/dbraw/zinc/24/04/00/371240400.db2.gz KRWIBNBKESZBGX-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCSCC2)c1 ZINC000134414104 371334111 /nfs/dbraw/zinc/33/41/11/371334111.db2.gz YPRHPYIZFMETLM-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO CC(C)(C)CC(C)(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136890528 371487195 /nfs/dbraw/zinc/48/71/95/371487195.db2.gz IGLHPLDCHKJGJJ-CQSZACIVSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915752 371487320 /nfs/dbraw/zinc/48/73/20/371487320.db2.gz FGZWXQKRKZRDBA-RCBQFDQVSA-N 1 0 292.379 3.139 20 5 CGBDRO CCSCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153275257 371762220 /nfs/dbraw/zinc/76/22/20/371762220.db2.gz CCAOLUMADAHGER-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO CC(C)C(=O)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000289741812 371806908 /nfs/dbraw/zinc/80/69/08/371806908.db2.gz HBSJFZIJWIHGDV-UHFFFAOYSA-N 1 0 290.363 3.174 20 5 CGBDRO C[NH+](C)CCSCc1c(Cl)cccc1[N+](=O)[O-] ZINC000154594547 371860120 /nfs/dbraw/zinc/86/01/20/371860120.db2.gz JUBPMZCBEKMZCB-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423017008 371916358 /nfs/dbraw/zinc/91/63/58/371916358.db2.gz NTPAFOGNHKOGKX-XZJROXQQSA-N 1 0 297.358 3.390 20 5 CGBDRO Cc1cc(N[C@H](C)C2=CC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292783362 372209985 /nfs/dbraw/zinc/20/99/85/372209985.db2.gz XNPOZUVBLMNKLW-LLVKDONJSA-N 1 0 293.342 3.105 20 5 CGBDRO CC(C)C1([NH2+]Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000292958960 372261421 /nfs/dbraw/zinc/26/14/21/372261421.db2.gz JJGSTSRCTKHBBD-UHFFFAOYSA-N 1 0 270.279 3.151 20 5 CGBDRO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325277 372355925 /nfs/dbraw/zinc/35/59/25/372355925.db2.gz XTAVVFWLPDFBKM-BBRMVZONSA-N 1 0 292.379 3.403 20 5 CGBDRO CCc1nocc1CN(C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000293538866 372406778 /nfs/dbraw/zinc/40/67/78/372406778.db2.gz XTIQPOMISLXAJG-NSHDSACASA-N 1 0 289.335 3.338 20 5 CGBDRO CCCCN(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163509493 372474638 /nfs/dbraw/zinc/47/46/38/372474638.db2.gz QZIQEPMBFLVMFL-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO CC[C@@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163974890 372503022 /nfs/dbraw/zinc/50/30/22/372503022.db2.gz ZRCKNDFORCELPJ-UGFHNGPFSA-N 1 0 280.368 3.043 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344436042 217191005 /nfs/dbraw/zinc/19/10/05/217191005.db2.gz PHFHNFYKADGRJX-AWEZNQCLSA-N 1 0 292.383 3.056 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000164084357 372506118 /nfs/dbraw/zinc/50/61/18/372506118.db2.gz UVVLCVSNHDRJAT-CMPLNLGQSA-N 1 0 268.382 3.387 20 5 CGBDRO Cc1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433808439 372636159 /nfs/dbraw/zinc/63/61/59/372636159.db2.gz PLFIAMUWESCDFR-AWEZNQCLSA-N 1 0 289.379 3.332 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc2[nH]ccc21 ZINC000344605705 217245747 /nfs/dbraw/zinc/24/57/47/217245747.db2.gz NEGZBGDKUBZHHD-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO C[C@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171921434 372853838 /nfs/dbraw/zinc/85/38/38/372853838.db2.gz QUGKFFGSYAPGMI-GFCCVEGCSA-N 1 0 271.320 3.183 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441435690 373013927 /nfs/dbraw/zinc/01/39/27/373013927.db2.gz FILQDNJPZQTCEC-GDBMZVCRSA-N 1 0 274.364 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000441441588 373014105 /nfs/dbraw/zinc/01/41/05/373014105.db2.gz XGLHSGVZUCOXSM-CZUORRHYSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(F)cc1[N+](=O)[O-] ZINC000296087079 373019696 /nfs/dbraw/zinc/01/96/96/373019696.db2.gz SWXFAMMQMQVXPO-YOGCLGLASA-N 1 0 293.342 3.079 20 5 CGBDRO C[C@@H](CCCCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296537913 373169583 /nfs/dbraw/zinc/16/95/83/373169583.db2.gz QUVFMYPKEFNNCU-BLLLJJGKSA-N 1 0 292.379 3.113 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C/C=C/Cl)CC2)cc1 ZINC000174245409 373273965 /nfs/dbraw/zinc/27/39/65/373273965.db2.gz RAIOEULPRZOLPX-UNXLUWIOSA-N 1 0 296.754 3.191 20 5 CGBDRO CCC(C)(C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447596981 373460866 /nfs/dbraw/zinc/46/08/66/373460866.db2.gz RJGRRNZLYSTUOM-QWHCGFSZSA-N 1 0 294.399 3.301 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CCC1 ZINC000175222850 373434558 /nfs/dbraw/zinc/43/45/58/373434558.db2.gz NTRIILBJSFNENB-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000300413364 373631194 /nfs/dbraw/zinc/63/11/94/373631194.db2.gz BDMHRZJGDFDRPP-PJODQICGSA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)Cc1ccncc1 ZINC000449172815 373668316 /nfs/dbraw/zinc/66/83/16/373668316.db2.gz MMABYCQELKCSAR-UONOGXRCSA-N 1 0 299.374 3.142 20 5 CGBDRO CC[C@@](C)(C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000449478114 373765092 /nfs/dbraw/zinc/76/50/92/373765092.db2.gz QSJQKYNYPNMMNH-WQMJKPAKSA-N 1 0 292.379 3.403 20 5 CGBDRO CCOc1cc(NC[C@@H](C)[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000178339180 373768951 /nfs/dbraw/zinc/76/89/51/373768951.db2.gz QCSNZSNESGAWFO-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449522861 373821956 /nfs/dbraw/zinc/82/19/56/373821956.db2.gz LRYOILKIOIXWKR-JGGQBBKZSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1cc(NCCC(C)(C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302512525 373885899 /nfs/dbraw/zinc/88/58/99/373885899.db2.gz XLEOMZDYKZGKED-UHFFFAOYSA-N 1 0 289.335 3.024 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000302745647 373950684 /nfs/dbraw/zinc/95/06/84/373950684.db2.gz PQLVCPFOQCEQRT-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(C(F)F)CC1 ZINC000353673073 220243104 /nfs/dbraw/zinc/24/31/04/220243104.db2.gz OSCVUPURNPZHAX-UHFFFAOYSA-N 1 0 270.279 3.072 20 5 CGBDRO CC(C)N(CC[NH+](C)C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302819800 373974093 /nfs/dbraw/zinc/97/40/93/373974093.db2.gz JKTSIISLQFDUDW-UHFFFAOYSA-N 1 0 285.775 3.025 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1CCC[N@@H+](C)C1 ZINC000302835421 373980590 /nfs/dbraw/zinc/98/05/90/373980590.db2.gz VHTOUQYLIZGQAH-LLVKDONJSA-N 1 0 297.786 3.310 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCCCCC2)c(F)c1 ZINC000310969637 374229230 /nfs/dbraw/zinc/22/92/30/374229230.db2.gz RBKBREWINKESFB-UHFFFAOYSA-N 1 0 252.289 3.110 20 5 CGBDRO CC1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311424889 374240648 /nfs/dbraw/zinc/24/06/48/374240648.db2.gz LNKKSRVLKDYLTD-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311393400 374240940 /nfs/dbraw/zinc/24/09/40/374240940.db2.gz DDOBFKQHPVTYBR-AWEZNQCLSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]([NH2+]CC1(CF)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000453315206 374413175 /nfs/dbraw/zinc/41/31/75/374413175.db2.gz VARXWENDISAPCV-LBPRGKRZSA-N 1 0 296.342 3.012 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453337801 374429045 /nfs/dbraw/zinc/42/90/45/374429045.db2.gz ZYZQDHNGVVLFDJ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184309059 374513306 /nfs/dbraw/zinc/51/33/06/374513306.db2.gz UUSARZZXWJYGHG-NXEZZACHSA-N 1 0 284.331 3.267 20 5 CGBDRO Cc1c(C[N@@H+]2CCS[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000464778023 374896857 /nfs/dbraw/zinc/89/68/57/374896857.db2.gz WSWAHAISBGXQOC-HNNXBMFYSA-N 1 0 294.420 3.477 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000187164140 374982287 /nfs/dbraw/zinc/98/22/87/374982287.db2.gz VADIUMMNHXUVEJ-GFCCVEGCSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000187612785 375055037 /nfs/dbraw/zinc/05/50/37/375055037.db2.gz VESZGCSRPVYATG-OJDYBEQGSA-N 1 0 292.379 3.043 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000188819055 375275319 /nfs/dbraw/zinc/27/53/19/375275319.db2.gz KQTSBQGIKOCLKR-QEJZJMRPSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(C[N@H+]2CCSC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000190844262 375544073 /nfs/dbraw/zinc/54/40/73/375544073.db2.gz BUKWAEHPUGRTMT-LLVKDONJSA-N 1 0 280.393 3.088 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000193014324 375815565 /nfs/dbraw/zinc/81/55/65/375815565.db2.gz XEJZGPCJJRLMGN-NWDGAFQWSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCCOC(F)F)cccc1[N+](=O)[O-] ZINC000194042219 375952553 /nfs/dbraw/zinc/95/25/53/375952553.db2.gz HJKFOJXDFNAYPA-SNVBAGLBSA-N 1 0 288.294 3.183 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000337278628 376187415 /nfs/dbraw/zinc/18/74/15/376187415.db2.gz GEUDDHZXVIKPAF-JTQLQIEISA-N 1 0 286.759 3.151 20 5 CGBDRO CCC[C@@H]([NH2+]C1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538549840 376247360 /nfs/dbraw/zinc/24/73/60/376247360.db2.gz NKJNAONJBXNPFO-CQSZACIVSA-N 1 0 278.352 3.205 20 5 CGBDRO COc1cc(C[N@H+](CC2CC2)C(C)C)ccc1[N+](=O)[O-] ZINC000539808593 376333331 /nfs/dbraw/zinc/33/33/31/376333331.db2.gz GQCMHSSWVPSILD-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000541073101 376419220 /nfs/dbraw/zinc/41/92/20/376419220.db2.gz YQNIYONJFSPZQJ-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000226652698 376368318 /nfs/dbraw/zinc/36/83/18/376368318.db2.gz GZPPYJIVLRABIL-INIZCTEOSA-N 1 0 286.331 3.072 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000541771024 376481744 /nfs/dbraw/zinc/48/17/44/376481744.db2.gz LBUYFUDIPQMSHN-DGCLKSJQSA-N 1 0 262.353 3.381 20 5 CGBDRO CC[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230408641 376512065 /nfs/dbraw/zinc/51/20/65/376512065.db2.gz WVGUURBSYIVATA-DOMZBBRYSA-N 1 0 278.352 3.062 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000542318547 376532985 /nfs/dbraw/zinc/53/29/85/376532985.db2.gz UQHNGMYAJRIEPS-CYBMUJFWSA-N 1 0 292.379 3.471 20 5 CGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000542317970 376534103 /nfs/dbraw/zinc/53/41/03/376534103.db2.gz KHQFKUGDSFRNKM-CYBMUJFWSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245463664 376823313 /nfs/dbraw/zinc/82/33/13/376823313.db2.gz OXALDIYOOSIOSX-ZIAGYGMSSA-N 1 0 291.395 3.120 20 5 CGBDRO CCCC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000339795990 376852050 /nfs/dbraw/zinc/85/20/50/376852050.db2.gz MWVSLZVTOZDCKR-UHFFFAOYSA-N 1 0 294.399 3.263 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCC(F)(F)C1 ZINC000340281355 376980131 /nfs/dbraw/zinc/98/01/31/376980131.db2.gz XJKYZCLBYIWLIP-NSHDSACASA-N 1 0 284.306 3.462 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000246429361 377028981 /nfs/dbraw/zinc/02/89/81/377028981.db2.gz MVZJAASWHRAVCT-JOVKLMRISA-N 1 0 260.337 3.338 20 5 CGBDRO CC1(C)CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000341164643 377427066 /nfs/dbraw/zinc/42/70/66/377427066.db2.gz ACRQEVPBWWCNFC-UHFFFAOYSA-N 1 0 289.335 3.358 20 5 CGBDRO COCC1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000341227806 377456074 /nfs/dbraw/zinc/45/60/74/377456074.db2.gz OLEHPLPVVKYKTN-UHFFFAOYSA-N 1 0 292.379 3.377 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000249071991 377457233 /nfs/dbraw/zinc/45/72/33/377457233.db2.gz LCXNMPSDDFIGJT-UGFHNGPFSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000341268980 377480749 /nfs/dbraw/zinc/48/07/49/377480749.db2.gz LKWBHERNZUZFTQ-BNEDENDOSA-N 1 0 290.363 3.013 20 5 CGBDRO CCOc1cc(NCC[N@H+](C)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000092642877 249034493 /nfs/dbraw/zinc/03/44/93/249034493.db2.gz YKCGAXNURMYWRB-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000312903348 249082866 /nfs/dbraw/zinc/08/28/66/249082866.db2.gz YXRCXCGSACCGAI-XUJLQICISA-N 1 0 274.364 3.306 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000251899719 377603027 /nfs/dbraw/zinc/60/30/27/377603027.db2.gz QXDVHYSATKFFMI-XJKCOSOUSA-N 1 0 292.379 3.321 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342595163 377680397 /nfs/dbraw/zinc/68/03/97/377680397.db2.gz HFDBVYGOOOEAMZ-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268828163 378124259 /nfs/dbraw/zinc/12/42/59/378124259.db2.gz VEVFIQIIICLYQO-BYCMXARLSA-N 1 0 274.364 3.162 20 5 CGBDRO CC[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579767664 378191871 /nfs/dbraw/zinc/19/18/71/378191871.db2.gz IVZKHONCGGPLDD-JTQLQIEISA-N 1 0 261.325 3.007 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC23CC3)cc1 ZINC000584005154 378366048 /nfs/dbraw/zinc/36/60/48/378366048.db2.gz JSNNCODXNIKFJD-AWEZNQCLSA-N 1 0 260.337 3.060 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000270667609 378384716 /nfs/dbraw/zinc/38/47/16/378384716.db2.gz PSYHGWZUYLXMCC-ZFWWWQNUSA-N 1 0 292.379 3.278 20 5 CGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272000232 378543054 /nfs/dbraw/zinc/54/30/54/378543054.db2.gz NTSZAASEMWWCBD-HOCLYGCPSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346801875 218019209 /nfs/dbraw/zinc/01/92/09/218019209.db2.gz CNHHTOLAQIDWII-VBNZEHGJSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1cncc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000274375092 378822633 /nfs/dbraw/zinc/82/26/33/378822633.db2.gz LMVARGZSDOSREA-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000348331588 378912280 /nfs/dbraw/zinc/91/22/80/378912280.db2.gz VVNBCNQEKQLPBJ-CYZMBNFOSA-N 1 0 266.316 3.444 20 5 CGBDRO Cc1ccncc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000348417934 378949167 /nfs/dbraw/zinc/94/91/67/378949167.db2.gz YQIPLLVZJQBOKA-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275501060 378956980 /nfs/dbraw/zinc/95/69/80/378956980.db2.gz QZUIFFQEIFYEKB-DOMZBBRYSA-N 1 0 292.379 3.057 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](C)CC1 ZINC000276888750 379014151 /nfs/dbraw/zinc/01/41/51/379014151.db2.gz FYDAKQUPZQROJG-VXGBXAGGSA-N 1 0 280.393 3.483 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](C)C1 ZINC000266541336 190265141 /nfs/dbraw/zinc/26/51/41/190265141.db2.gz QADJXCKFQGZGQP-GHMZBOCLSA-N 1 0 266.366 3.093 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000349407484 379271253 /nfs/dbraw/zinc/27/12/53/379271253.db2.gz NUQNKBUKXZKISW-GQCTYLIASA-N 1 0 298.342 3.446 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000347709936 218329826 /nfs/dbraw/zinc/32/98/26/218329826.db2.gz VQWDCMOXOPEGQT-SMDDNHRTSA-N 1 0 280.368 3.041 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000389029049 379894056 /nfs/dbraw/zinc/89/40/56/379894056.db2.gz XAQLGILSVPJHBI-GHMZBOCLSA-N 1 0 298.770 3.153 20 5 CGBDRO COC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282631486 379958579 /nfs/dbraw/zinc/95/85/79/379958579.db2.gz AXPMWJKADBUWJZ-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO CC(C)OCC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414546389 380310519 /nfs/dbraw/zinc/31/05/19/380310519.db2.gz GZXBVMLPIQOUIG-VQHVLOKHSA-N 1 0 292.379 3.401 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000355299475 380630299 /nfs/dbraw/zinc/63/02/99/380630299.db2.gz YJJZLKHGRNFHLY-NSHDSACASA-N 1 0 299.802 3.068 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417327588 380595097 /nfs/dbraw/zinc/59/50/97/380595097.db2.gz BRQAASXSZSRUFH-SWLSCSKDSA-N 1 0 280.368 3.307 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417378895 380614380 /nfs/dbraw/zinc/61/43/80/380614380.db2.gz TUQCSOQWTCTEDY-HIFRSBDPSA-N 1 0 294.395 3.177 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000418100293 380699930 /nfs/dbraw/zinc/69/99/30/380699930.db2.gz OKOHHKZVDRJNML-OAHLLOKOSA-N 1 0 280.368 3.054 20 5 CGBDRO CC[C@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295794 380796312 /nfs/dbraw/zinc/79/63/12/380796312.db2.gz XAXIBOJZLCFHJX-GOEBONIOSA-N 1 0 292.379 3.199 20 5 CGBDRO COC[C@H](CC(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000357699140 381255616 /nfs/dbraw/zinc/25/56/16/381255616.db2.gz QENXRBMZLLCHCL-AWEZNQCLSA-N 1 0 280.368 3.054 20 5 CGBDRO CCCC1CCC([N@H+](C)Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000362152891 381889186 /nfs/dbraw/zinc/88/91/86/381889186.db2.gz DDJSRRMOSMOYGN-UHFFFAOYSA-N 1 0 294.399 3.119 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000362326773 381943258 /nfs/dbraw/zinc/94/32/58/381943258.db2.gz VZKHZLSJPYKRPY-JTQLQIEISA-N 1 0 296.342 3.363 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543120 285114296 /nfs/dbraw/zinc/11/42/96/285114296.db2.gz SCQGQCGCEWIOGR-HOTGVXAUSA-N 1 0 272.348 3.215 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC23CCC(CC2)C3)c(F)c1 ZINC000350291642 219007711 /nfs/dbraw/zinc/00/77/11/219007711.db2.gz VZKQXILZUIPELE-UHFFFAOYSA-N 1 0 278.327 3.404 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC=CCC1)CC2 ZINC000353607792 285142055 /nfs/dbraw/zinc/14/20/55/285142055.db2.gz BEOJDUNNPXUUST-CYBMUJFWSA-N 1 0 272.348 3.309 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCS1)CCC2 ZINC000192951295 285143573 /nfs/dbraw/zinc/14/35/73/285143573.db2.gz ZPZQZJWZZXBMDH-ZFWWWQNUSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccc(O)c1)CCC2 ZINC000192799790 285143991 /nfs/dbraw/zinc/14/39/91/285143991.db2.gz FOGBESQZBOSAFL-KRWDZBQOSA-N 1 0 298.342 3.468 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCCO1)CCC2 ZINC000278274456 285144906 /nfs/dbraw/zinc/14/49/06/285144906.db2.gz PKDVNMKUDWAFGV-GOEBONIOSA-N 1 0 290.363 3.131 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000289095692 197233545 /nfs/dbraw/zinc/23/35/45/197233545.db2.gz BUBZNXDOQVJFFA-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000288630767 197131588 /nfs/dbraw/zinc/13/15/88/197131588.db2.gz SQIMKQFOJSVXOC-AWEZNQCLSA-N 1 0 298.342 3.169 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287445205 196860527 /nfs/dbraw/zinc/86/05/27/196860527.db2.gz LCXNHBNLDBMALU-XPKDYRNWSA-N 1 0 292.379 3.308 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H]1C ZINC000513041997 533384020 /nfs/dbraw/zinc/38/40/20/533384020.db2.gz USVQEGHZCKXFEG-HSMZECECSA-N 1 0 260.337 3.386 20 5 CGBDRO CN(C)c1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000072582849 392209537 /nfs/dbraw/zinc/20/95/37/392209537.db2.gz NYJQXMFJNXYIBZ-UHFFFAOYSA-N 1 0 299.374 3.293 20 5 CGBDRO CC[C@@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000107064409 392315153 /nfs/dbraw/zinc/31/51/53/392315153.db2.gz HBNCWKSUNKPAJF-OAHLLOKOSA-N 1 0 278.352 3.062 20 5 CGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361239571 392262201 /nfs/dbraw/zinc/26/22/01/392262201.db2.gz VYMIXAGNMIWHGH-HUUCEWRRSA-N 1 0 292.379 3.277 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000361944766 392371774 /nfs/dbraw/zinc/37/17/74/392371774.db2.gz IXTOCMMRTCZFEM-ZWKOPEQDSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000143810077 392480535 /nfs/dbraw/zinc/48/05/35/392480535.db2.gz GITHPQACKTVJDJ-SWLSCSKDSA-N 1 0 298.342 3.249 20 5 CGBDRO COc1ccc(C[NH2+]C23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000371754806 392552728 /nfs/dbraw/zinc/55/27/28/392552728.db2.gz VROXBRWCLZUEID-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO C[C@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301776710 392597723 /nfs/dbraw/zinc/59/77/23/392597723.db2.gz LKPZMIMHZBLLRP-ZDUSSCGKSA-N 1 0 289.379 3.048 20 5 CGBDRO Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000505344156 392661969 /nfs/dbraw/zinc/66/19/69/392661969.db2.gz NVPGJEAGJMCXDY-TXEJJXNPSA-N 1 0 262.353 3.381 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000509384003 392748551 /nfs/dbraw/zinc/74/85/51/392748551.db2.gz CYXJLQUQGKNOPA-NSHDSACASA-N 1 0 250.342 3.381 20 5 CGBDRO C[C@@H]1CC[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026362 392818791 /nfs/dbraw/zinc/81/87/91/392818791.db2.gz CDHQHVUYGATGJT-MLGOLLRUSA-N 1 0 290.363 3.127 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000412043974 392995481 /nfs/dbraw/zinc/99/54/81/392995481.db2.gz OJEMFWWBXPSRML-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414289746 393046797 /nfs/dbraw/zinc/04/67/97/393046797.db2.gz ICIKDLVBLNVTTB-CQDKDKBSSA-N 1 0 280.368 3.041 20 5 CGBDRO COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000355414873 393313077 /nfs/dbraw/zinc/31/30/77/393313077.db2.gz FFYRBWBHVOAYQM-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO CCCC[N@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000488184965 393467752 /nfs/dbraw/zinc/46/77/52/393467752.db2.gz ZXMWJBDBFWEFNI-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@H](C)C1 ZINC000488241336 393473208 /nfs/dbraw/zinc/47/32/08/393473208.db2.gz DDRJSYNMXKQWNT-VXGBXAGGSA-N 1 0 280.393 3.341 20 5 CGBDRO C[C@H]1C[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358013 393496516 /nfs/dbraw/zinc/49/65/16/393496516.db2.gz QWXMJUBVPWAHJA-AAEUAGOBSA-N 1 0 260.337 3.215 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206725 393539605 /nfs/dbraw/zinc/53/96/05/393539605.db2.gz PCSSYLLESLKREE-MNOVXSKESA-N 1 0 266.341 3.128 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000430880670 393601832 /nfs/dbraw/zinc/60/18/32/393601832.db2.gz ZBMMAQASYIUFMH-NSHDSACASA-N 1 0 260.337 3.301 20 5 CGBDRO COc1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000490036814 393627525 /nfs/dbraw/zinc/62/75/25/393627525.db2.gz GQHWOJNKTSNMSM-KBPBESRZSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000502866139 393885785 /nfs/dbraw/zinc/88/57/85/393885785.db2.gz NBPSOIPDKCWVSL-CMPLNLGQSA-N 1 0 289.335 3.404 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000449538110 393888509 /nfs/dbraw/zinc/88/85/09/393888509.db2.gz KEKHNAQRYXWPJI-GOEBONIOSA-N 1 0 272.348 3.215 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449552656 393898314 /nfs/dbraw/zinc/89/83/14/393898314.db2.gz JZFYOXGPAPNJSH-QWRGUYRKSA-N 1 0 254.355 3.038 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092605 397605058 /nfs/dbraw/zinc/60/50/58/397605058.db2.gz PARFKGMRGPWJRV-HUUCEWRRSA-N 1 0 278.352 3.205 20 5 CGBDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000083469737 287080317 /nfs/dbraw/zinc/08/03/17/287080317.db2.gz CTGHKMDFLXKTQH-MRXNPFEDSA-N 1 0 294.395 3.359 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCF)cc1[N+](=O)[O-] ZINC000090522132 287102321 /nfs/dbraw/zinc/10/23/21/287102321.db2.gz JTJAAKFKNBSSBB-SNVBAGLBSA-N 1 0 270.304 3.004 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000091098047 165257514 /nfs/dbraw/zinc/25/75/14/165257514.db2.gz BAASYNQGCHVKSB-LBPRGKRZSA-N 1 0 268.382 3.168 20 5 CGBDRO Cc1c(C[NH2+]CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC000123993231 287228362 /nfs/dbraw/zinc/22/83/62/287228362.db2.gz AANSWRJJMMYHNU-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000020128032 171014465 /nfs/dbraw/zinc/01/44/65/171014465.db2.gz CPNSEGPCFNMGQA-RYUDHWBXSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000035648742 172325593 /nfs/dbraw/zinc/32/55/93/172325593.db2.gz BLLQWDXEGYLZHY-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285430035 196282879 /nfs/dbraw/zinc/28/28/79/196282879.db2.gz HLKBASOKNVXPOQ-MNOVXSKESA-N 1 0 298.770 3.010 20 5 CGBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000044499306 175184840 /nfs/dbraw/zinc/18/48/40/175184840.db2.gz WMFMNBACPWFIQW-NWDGAFQWSA-N 1 0 288.351 3.223 20 5 CGBDRO C[C@H](NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000071376847 176141867 /nfs/dbraw/zinc/14/18/67/176141867.db2.gz WFAXDLYINVXPLB-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H]([NH2+]CCOCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129823483 287339589 /nfs/dbraw/zinc/33/95/89/287339589.db2.gz YKLATJHHVQZQLM-HNNXBMFYSA-N 1 0 280.368 3.308 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCC(C)(C)C[NH+](C)C ZINC000132136225 287397818 /nfs/dbraw/zinc/39/78/18/287397818.db2.gz CFCAATKJCGGPIE-ZDUSSCGKSA-N 1 0 293.411 3.142 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158058227 260874501 /nfs/dbraw/zinc/87/45/01/260874501.db2.gz QBMFMASGJBHMTA-WFASDCNBSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[N@H+]1CC=C(c2c[nH]c3cc([N+](=O)[O-])ccc23)CC1 ZINC000498050236 262218455 /nfs/dbraw/zinc/21/84/55/262218455.db2.gz HPGDTBDVKSENNN-UHFFFAOYSA-N 1 0 271.320 3.185 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189112727 270070653 /nfs/dbraw/zinc/07/06/53/270070653.db2.gz CMFOWJHPTAJRKT-HNNXBMFYSA-N 1 0 274.364 3.450 20 5 CGBDRO Cc1c(C[NH+]2CCC(OC(C)C)CC2)cccc1[N+](=O)[O-] ZINC000530686807 270202280 /nfs/dbraw/zinc/20/22/80/270202280.db2.gz ABEQHTPUBVQNFJ-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530902534 270203412 /nfs/dbraw/zinc/20/34/12/270203412.db2.gz LCBLBCUZGKALLY-GFCCVEGCSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[C@@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314916 273738651 /nfs/dbraw/zinc/73/86/51/273738651.db2.gz ROJBPHCGUHGPBK-JKSUJKDBSA-N 1 0 292.379 3.113 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000180873560 275035185 /nfs/dbraw/zinc/03/51/85/275035185.db2.gz DTKFXAQCOXFJCD-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccoc1)CCC2 ZINC000192717542 275038447 /nfs/dbraw/zinc/03/84/47/275038447.db2.gz JAZLSQBYSOCLBS-OAHLLOKOSA-N 1 0 272.304 3.355 20 5 CGBDRO CCOC[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267104117 276334060 /nfs/dbraw/zinc/33/40/60/276334060.db2.gz VCEKVKCCEQCJAM-OLZOCXBDSA-N 1 0 278.352 3.014 20 5 CGBDRO CCOc1cccc(NCCC[NH+](CC)CC)c1[N+](=O)[O-] ZINC000134902161 276498910 /nfs/dbraw/zinc/49/89/10/276498910.db2.gz IBHXHWWNFAOZQT-UHFFFAOYSA-N 1 0 295.383 3.137 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000421379273 278036733 /nfs/dbraw/zinc/03/67/33/278036733.db2.gz UGKTYNQKZQBMDM-JSGCOSHPSA-N 1 0 292.379 3.063 20 5 CGBDRO CCC[C@@H]([NH2+]CCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395861129 288011266 /nfs/dbraw/zinc/01/12/66/288011266.db2.gz NDINEWMTUCRKGB-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000117394333 278161586 /nfs/dbraw/zinc/16/15/86/278161586.db2.gz CLVIWWDKBJCFFR-OCCSQVGLSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000396912440 288017914 /nfs/dbraw/zinc/01/79/14/288017914.db2.gz QCDIWHWQILVUOI-VIFPVBQESA-N 1 0 276.258 3.273 20 5 CGBDRO C[C@@H](CCCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279075075 278228281 /nfs/dbraw/zinc/22/82/81/278228281.db2.gz MBVYWPXYQIVANF-XHDPSFHLSA-N 1 0 292.379 3.068 20 5 CGBDRO CCC[C@@H]([NH2+]CC1=CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000397612587 288025418 /nfs/dbraw/zinc/02/54/18/288025418.db2.gz CVSRCBXLVKBKSO-MRXNPFEDSA-N 1 0 290.363 3.372 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000449204647 288078777 /nfs/dbraw/zinc/07/87/77/288078777.db2.gz JWMVTFZZCXQHOH-IVMMDQJWSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000449252120 279382980 /nfs/dbraw/zinc/38/29/80/279382980.db2.gz QGBAORUGOUYRKC-IOASZLSFSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H]([NH2+]C1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000135460789 279457973 /nfs/dbraw/zinc/45/79/73/279457973.db2.gz LCHHHFOZMSNLNO-JTQLQIEISA-N 1 0 266.366 3.141 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576761 280194403 /nfs/dbraw/zinc/19/44/03/280194403.db2.gz PXIVNDMNFXNQQC-XNRPHZJLSA-N 1 0 291.395 3.118 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000313084473 281006027 /nfs/dbraw/zinc/00/60/27/281006027.db2.gz JHGXJTRNHLZSKF-KKUMJFAQSA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000094659534 281014657 /nfs/dbraw/zinc/01/46/57/281014657.db2.gz PXVMTBCFNBKTLO-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724415 288343485 /nfs/dbraw/zinc/34/34/85/288343485.db2.gz PSZILDVUVDTUNM-MLGOLLRUSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccncc1 ZINC000531993606 288348717 /nfs/dbraw/zinc/34/87/17/288348717.db2.gz IPVSBKWRWIYWRM-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)CCOCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000548928198 289029201 /nfs/dbraw/zinc/02/92/01/289029201.db2.gz SJURZGNOMJXVDS-UHFFFAOYSA-N 1 0 294.395 3.132 20 5 CGBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000552248731 289175099 /nfs/dbraw/zinc/17/50/99/289175099.db2.gz QYWOMYAPUPUXQP-GJZGRUSLSA-N 1 0 262.353 3.162 20 5 CGBDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000552246587 289175126 /nfs/dbraw/zinc/17/51/26/289175126.db2.gz YWEHAIIFHPQKTD-ZIAGYGMSSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000560882336 289618941 /nfs/dbraw/zinc/61/89/41/289618941.db2.gz KUZHEARPYNPJCU-MELADBBJSA-N 1 0 292.379 3.105 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182787245 293210083 /nfs/dbraw/zinc/21/00/83/293210083.db2.gz QTRDQGINDSZHNE-KBPBESRZSA-N 1 0 292.379 3.323 20 5 CGBDRO CC[C@H](COC)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000567368114 322161150 /nfs/dbraw/zinc/16/11/50/322161150.db2.gz LYSHLJRYHZLSOD-ICDLMJIXSA-N 1 0 278.352 3.013 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CCSCC1 ZINC000568414065 322208471 /nfs/dbraw/zinc/20/84/71/322208471.db2.gz ZJQOQTJKGUUQFC-CQSZACIVSA-N 1 0 292.404 3.315 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000570950051 322286281 /nfs/dbraw/zinc/28/62/81/322286281.db2.gz QRBKGLFAHLWUQN-LBPRGKRZSA-N 1 0 265.357 3.127 20 5 CGBDRO C[C@@H]1CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000575816213 322491338 /nfs/dbraw/zinc/49/13/38/322491338.db2.gz NKFHQTRHJNXNHE-HFAKWTLXSA-N 1 0 290.363 3.128 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000346061069 335353552 /nfs/dbraw/zinc/35/35/52/335353552.db2.gz FNOMUFVIAWCYMX-ZOWXZIJZSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000183651912 335899526 /nfs/dbraw/zinc/89/95/26/335899526.db2.gz NCJZUDLYHJASGQ-CQSZACIVSA-N 1 0 292.379 3.339 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCC[C@H]1F ZINC000581617893 336113529 /nfs/dbraw/zinc/11/35/29/336113529.db2.gz IEAZEZOWRFWECX-MGPQQGTHSA-N 1 0 278.327 3.452 20 5 CGBDRO C[C@H](CCCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310494 533886945 /nfs/dbraw/zinc/88/69/45/533886945.db2.gz KGXPLBXBOMJQAZ-MLGOLLRUSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266055 533995619 /nfs/dbraw/zinc/99/56/19/533995619.db2.gz RSRPNZBHMRCHRD-BLLLJJGKSA-N 1 0 291.395 3.153 20 5 CGBDRO CCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000052202791 521838303 /nfs/dbraw/zinc/83/83/03/521838303.db2.gz NQNDRGWNXKXWDL-UHFFFAOYSA-N 1 0 270.332 3.447 20 5 CGBDRO CO[C@@](C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000291088249 523797014 /nfs/dbraw/zinc/79/70/14/523797014.db2.gz WSIPFVFELFJHPD-AWEZNQCLSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)(CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000357953557 527183197 /nfs/dbraw/zinc/18/31/97/527183197.db2.gz CHUUZCPBVQZKKM-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc3cccnc32)cs1 ZINC000111158771 527330829 /nfs/dbraw/zinc/33/08/29/527330829.db2.gz MUXAIKLCBOXVFL-UHFFFAOYSA-N 1 0 299.355 3.494 20 5 CGBDRO CC(C)c1ccc(C[N@H+](CCO)C2CCC2)cc1[N+](=O)[O-] ZINC000439788683 528092562 /nfs/dbraw/zinc/09/25/62/528092562.db2.gz NQOQPMGWKHQYIY-UHFFFAOYSA-N 1 0 292.379 3.065 20 5 CGBDRO CCC[C@H](N[C@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397857 528241760 /nfs/dbraw/zinc/24/17/60/528241760.db2.gz VAIFRMOOTZDNLY-NOLJZWGESA-N 1 0 291.395 3.166 20 5 CGBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176260498 528371899 /nfs/dbraw/zinc/37/18/99/528371899.db2.gz LNHORNBZSIXSFI-AWEZNQCLSA-N 1 0 294.399 3.082 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000358453792 528537170 /nfs/dbraw/zinc/53/71/70/528537170.db2.gz WNRXQHVLOWKRCU-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2(C)CC2)cc1[N+](=O)[O-] ZINC000358188028 528593577 /nfs/dbraw/zinc/59/35/77/528593577.db2.gz KLJDPIWWGXDHMD-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO CCC(CC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449066231 528804925 /nfs/dbraw/zinc/80/49/25/528804925.db2.gz ZEEMNLMFCRAACF-NSHDSACASA-N 1 0 250.342 3.304 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CSc1ncccc1[N+](=O)[O-] ZINC000412997251 529005133 /nfs/dbraw/zinc/00/51/33/529005133.db2.gz WQTDLLQJSWYSSK-GFCCVEGCSA-N 1 0 295.408 3.345 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000515422647 536552083 /nfs/dbraw/zinc/55/20/83/536552083.db2.gz DMBXQIQRZHUONF-WQGACYEGSA-N 1 0 292.379 3.367 20 5 CGBDRO CCOCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553252 535515243 /nfs/dbraw/zinc/51/52/43/535515243.db2.gz XYZIGVHFZBQEBL-OAHLLOKOSA-N 1 0 292.379 3.201 20 5 CGBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000451823238 535566057 /nfs/dbraw/zinc/56/60/57/535566057.db2.gz MXTZRWKEKKYKEL-KGLIPLIRSA-N 1 0 291.395 3.072 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759741 536767475 /nfs/dbraw/zinc/76/74/75/536767475.db2.gz XJJHICMWXPCVOG-STQMWFEESA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@@H](COc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000728783015 571821193 /nfs/dbraw/zinc/82/11/93/571821193.db2.gz XDKRUUMEYPFLFC-NSHDSACASA-N 1 0 292.360 3.213 20 5 CGBDRO Cc1cccc2c1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000729480036 571921164 /nfs/dbraw/zinc/92/11/64/571921164.db2.gz USHIHYXGIBOKBN-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738055007 572364101 /nfs/dbraw/zinc/36/41/01/572364101.db2.gz LUFVIRUHRHEIQD-RISCZKNCSA-N 1 0 294.399 3.266 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731213142 572403224 /nfs/dbraw/zinc/40/32/24/572403224.db2.gz KDOFQVAPYNPSOW-QWRGUYRKSA-N 1 0 266.316 3.497 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000741790952 572529251 /nfs/dbraw/zinc/52/92/51/572529251.db2.gz OIQQTFZKGKIBTJ-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840875350 618747159 /nfs/dbraw/zinc/74/71/59/618747159.db2.gz FWWSSQABUJWCSS-UFGOTCBOSA-N 1 0 281.331 3.108 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179546996 618795153 /nfs/dbraw/zinc/79/51/53/618795153.db2.gz JJOYGEIVRTYUSS-LLVKDONJSA-N 1 0 290.367 3.188 20 5 CGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000055034941 618863823 /nfs/dbraw/zinc/86/38/23/618863823.db2.gz DWYVULULXZIARB-CQSZACIVSA-N 1 0 292.383 3.020 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897953076 620454398 /nfs/dbraw/zinc/45/43/98/620454398.db2.gz MIUUYRKAPSNPGP-ZRJBLUBASA-N 1 0 272.348 3.386 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000901702724 620993958 /nfs/dbraw/zinc/99/39/58/620993958.db2.gz YJZVBOHYQWHABA-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc([N+](=O)[O-])c1 ZINC000903111801 621585168 /nfs/dbraw/zinc/58/51/68/621585168.db2.gz XBPRDVZYRQWBGI-HZMBPMFUSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@H](C)SC)cc([N+](=O)[O-])c1 ZINC000903127292 621590175 /nfs/dbraw/zinc/59/01/75/621590175.db2.gz HVJIGHOCBNQDPD-UWVGGRQHSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903164268 621609673 /nfs/dbraw/zinc/60/96/73/621609673.db2.gz KOBHMHPKBIGMTN-GHMZBOCLSA-N 1 0 296.392 3.007 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@]1(C)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000903244692 621637169 /nfs/dbraw/zinc/63/71/69/621637169.db2.gz BMMHGDLRPQWNLQ-WWGRRREGSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000903286982 621669501 /nfs/dbraw/zinc/66/95/01/621669501.db2.gz LJSQZTPEHHOFOP-QMTHXVAHSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C\Cl ZINC000903443312 621754194 /nfs/dbraw/zinc/75/41/94/621754194.db2.gz FZEKQQLCWOKVEV-JHYPKJRRSA-N 1 0 272.707 3.007 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1[N+](=O)[O-] ZINC000174276842 623381713 /nfs/dbraw/zinc/38/17/13/623381713.db2.gz IZWOOCWSKTZMRZ-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154350521 624258181 /nfs/dbraw/zinc/25/81/81/624258181.db2.gz PDYJCKBHUJYINK-HOCLYGCPSA-N 1 0 292.379 3.283 20 5 CGBDRO CCN(Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000174863619 624362366 /nfs/dbraw/zinc/36/23/66/624362366.db2.gz GPLJXPMXSSVWJJ-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCO1 ZINC000922816215 626050674 /nfs/dbraw/zinc/05/06/74/626050674.db2.gz HMZAUCWRBRPWPG-QKIRZYONSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000922842206 626056234 /nfs/dbraw/zinc/05/62/34/626056234.db2.gz KPHBTAVSDNAMHM-LJXYTEIVSA-N 1 0 292.404 3.482 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000922842205 626056318 /nfs/dbraw/zinc/05/63/18/626056318.db2.gz KPHBTAVSDNAMHM-HRLNJXSSSA-N 1 0 292.404 3.482 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000162129229 626074910 /nfs/dbraw/zinc/07/49/10/626074910.db2.gz WBDLACWVQXCZLT-QMMMGPOBSA-N 1 0 299.168 3.245 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@]12C[C@H]1CCC2 ZINC000923023199 626119615 /nfs/dbraw/zinc/11/96/15/626119615.db2.gz QMGNELSWNGRIMJ-ZZEYUXRUSA-N 1 0 258.321 3.140 20 5 CGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839144549 626317203 /nfs/dbraw/zinc/31/72/03/626317203.db2.gz UXXPONWIAPGWRK-DAXOMENPSA-N 1 0 292.379 3.187 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839184145 626326917 /nfs/dbraw/zinc/32/69/17/626326917.db2.gz FKPUKVXVUVKCIF-UHFFFAOYSA-N 1 0 293.323 3.123 20 5 CGBDRO C[C@@H](CC[NH+](C)C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124761989 634504316 /nfs/dbraw/zinc/50/43/16/634504316.db2.gz MFKTYMWHJOAASN-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO CC[N@H+](CC(C)C)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764890269 627231876 /nfs/dbraw/zinc/23/18/76/627231876.db2.gz UIJXDGIPUUXGAW-UHFFFAOYSA-N 1 0 290.367 3.188 20 5 CGBDRO CC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CCC1 ZINC000765001883 627235806 /nfs/dbraw/zinc/23/58/06/627235806.db2.gz KQMGYZYKWSBCOR-UHFFFAOYSA-N 1 0 288.351 3.085 20 5 CGBDRO Cc1nn(C[N@@H+](C)CC(C)(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000765010054 627236224 /nfs/dbraw/zinc/23/62/24/627236224.db2.gz OPTNIAVFWAGOLV-UHFFFAOYSA-N 1 0 290.367 3.188 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000766273176 627309832 /nfs/dbraw/zinc/30/98/32/627309832.db2.gz NYOXJXKSOBSQLQ-ZIAGYGMSSA-N 1 0 291.395 3.038 20 5 CGBDRO CC(C)(C)C[NH+](Cn1nccc1[N+](=O)[O-])CC(C)(C)C ZINC000774639488 628011330 /nfs/dbraw/zinc/01/13/30/628011330.db2.gz KGORVPDNUZMFGZ-UHFFFAOYSA-N 1 0 282.388 3.143 20 5 CGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000774830910 628035842 /nfs/dbraw/zinc/03/58/42/628035842.db2.gz GIVLLAIGDIHHJU-YGRLFVJLSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000775575921 628110870 /nfs/dbraw/zinc/11/08/70/628110870.db2.gz FVNXUBAAYRWUFZ-DTWKUNHWSA-N 1 0 289.162 3.439 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000775668932 628122724 /nfs/dbraw/zinc/12/27/24/628122724.db2.gz NEMFZNFAWNQOIW-UHFFFAOYSA-N 1 0 283.397 3.331 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1OCC[NH+]1CCCCC1 ZINC000125326893 634684337 /nfs/dbraw/zinc/68/43/37/634684337.db2.gz BDGVBPXZEJMYCN-UHFFFAOYSA-N 1 0 284.743 3.113 20 5 CGBDRO CCC(CC)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595014 629067140 /nfs/dbraw/zinc/06/71/40/629067140.db2.gz QXKBNZHLOQWABP-SNVBAGLBSA-N 1 0 265.357 3.264 20 5 CGBDRO Cc1c(F)nccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000862340412 629346168 /nfs/dbraw/zinc/34/61/68/629346168.db2.gz BDFHKTHOGCFAEU-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO CN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000798403701 630053449 /nfs/dbraw/zinc/05/34/49/630053449.db2.gz DNEFZKZPVWMQHD-UHFFFAOYSA-N 1 0 297.786 3.170 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000808177665 630629081 /nfs/dbraw/zinc/62/90/81/630629081.db2.gz VZGCONQCOCPBCJ-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]Cc3ccoc3)c2c1 ZINC000808452751 630646321 /nfs/dbraw/zinc/64/63/21/630646321.db2.gz PQNHNYTZIUBNQB-UHFFFAOYSA-N 1 0 285.303 3.001 20 5 CGBDRO Cc1ccc(C)c(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734275 630795136 /nfs/dbraw/zinc/79/51/36/630795136.db2.gz CGLHEXHZRKEQKO-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO Cc1cccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1C ZINC000809735080 630795582 /nfs/dbraw/zinc/79/55/82/630795582.db2.gz RWERIAHDDYXMNT-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567436 631796643 /nfs/dbraw/zinc/79/66/43/631796643.db2.gz YCHWHPJRAOQJEG-NEPJUHHUSA-N 1 0 275.352 3.184 20 5 CGBDRO C[C@@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815584826 631801185 /nfs/dbraw/zinc/80/11/85/631801185.db2.gz QFKBVHFMUJFVPO-SNVBAGLBSA-N 1 0 289.379 3.264 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879959760 635888776 /nfs/dbraw/zinc/88/87/76/635888776.db2.gz RQXDYGASOFNCOX-TZMCWYRMSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1(C)CC1 ZINC000866314261 633078811 /nfs/dbraw/zinc/07/88/11/633078811.db2.gz FHJMTBPFOOIWGX-QWRGUYRKSA-N 1 0 280.343 3.443 20 5 CGBDRO CC(C)=CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345966 633091175 /nfs/dbraw/zinc/09/11/75/633091175.db2.gz CVKZANWCFLTPLS-NSHDSACASA-N 1 0 266.316 3.221 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CSC[C@@H]1C ZINC000866360076 633099880 /nfs/dbraw/zinc/09/98/80/633099880.db2.gz XCSSFCZOLFJCKU-CWSCBRNRSA-N 1 0 298.383 3.006 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)CCc2cccnc2)cc1[N+](=O)[O-] ZINC000866540351 633182527 /nfs/dbraw/zinc/18/25/27/633182527.db2.gz MGVVPNNTHAWDEB-AWEZNQCLSA-N 1 0 299.374 3.409 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000866613106 633213735 /nfs/dbraw/zinc/21/37/35/633213735.db2.gz QJQJOLJVCTYSFE-NWDGAFQWSA-N 1 0 288.351 3.049 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000866634406 633223167 /nfs/dbraw/zinc/22/31/67/633223167.db2.gz DSFZVQCBLCYGDH-FRRDWIJNSA-N 1 0 280.368 3.103 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000866634408 633223363 /nfs/dbraw/zinc/22/33/63/633223363.db2.gz DSFZVQCBLCYGDH-RWMBFGLXSA-N 1 0 280.368 3.103 20 5 CGBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000824446521 633247079 /nfs/dbraw/zinc/24/70/79/633247079.db2.gz YOLOSUNYSUHEIR-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1Cl ZINC000825250280 633339529 /nfs/dbraw/zinc/33/95/29/633339529.db2.gz XGIGPOOHGJHAOC-RYUDHWBXSA-N 1 0 280.755 3.384 20 5 CGBDRO C[C@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122830015 633518835 /nfs/dbraw/zinc/51/88/35/633518835.db2.gz PCOPAEQAVQONPF-GXSJLCMTSA-N 1 0 295.770 3.285 20 5 CGBDRO COCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016700 633936741 /nfs/dbraw/zinc/93/67/41/633936741.db2.gz NIVULBQSXHTQHA-JTQLQIEISA-N 1 0 284.381 3.004 20 5 CGBDRO COC[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029635 633948167 /nfs/dbraw/zinc/94/81/67/633948167.db2.gz XHBBOWJTGZKMSJ-MNOVXSKESA-N 1 0 298.408 3.250 20 5 CGBDRO C[C@H]([NH2+]CC1(O)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031327 633950716 /nfs/dbraw/zinc/95/07/16/633950716.db2.gz OKGMPSAYMOSBID-NSHDSACASA-N 1 0 296.342 3.080 20 5 CGBDRO CSC[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037311 633956845 /nfs/dbraw/zinc/95/68/45/633956845.db2.gz DIGXOZYXSULEKL-IUCAKERBSA-N 1 0 272.345 3.136 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872038928 633959349 /nfs/dbraw/zinc/95/93/49/633959349.db2.gz BMSSVLBSBGXTCC-GWCFXTLKSA-N 1 0 284.331 3.056 20 5 CGBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064521 633986464 /nfs/dbraw/zinc/98/64/64/633986464.db2.gz HSQXCVAIGFGBDE-GARJFASQSA-N 1 0 298.408 3.391 20 5 CGBDRO C[C@@H]([NH2+]CCCCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872073600 633995973 /nfs/dbraw/zinc/99/59/73/633995973.db2.gz SMMJDLZRHNRGOH-SECBINFHSA-N 1 0 258.268 3.134 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872075170 633998340 /nfs/dbraw/zinc/99/83/40/633998340.db2.gz PFQYJCNEDSPIHE-QWRGUYRKSA-N 1 0 284.331 3.200 20 5 CGBDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077538 634000573 /nfs/dbraw/zinc/00/05/73/634000573.db2.gz KAQZNZOBNGLYKF-NWDGAFQWSA-N 1 0 296.342 3.201 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCCCCCCC2)c1 ZINC000831937187 634016382 /nfs/dbraw/zinc/01/63/82/634016382.db2.gz NPWRPEVLOUTZBC-INIZCTEOSA-N 1 0 292.379 3.284 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832468167 634062642 /nfs/dbraw/zinc/06/26/42/634062642.db2.gz FRZNWSIQUNDRMV-ZENOOKHLSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832468385 634063070 /nfs/dbraw/zinc/06/30/70/634063070.db2.gz IEZGVORQQXPUKN-WOSRLPQWSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1cccnc1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131586 634252486 /nfs/dbraw/zinc/25/24/86/634252486.db2.gz PWSDAUWXXFNPER-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000873130738 634253097 /nfs/dbraw/zinc/25/30/97/634253097.db2.gz JFEZIWYKJOEINU-PWSUYJOCSA-N 1 0 280.393 3.195 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)c1ccccn1 ZINC000873133454 634253808 /nfs/dbraw/zinc/25/38/08/634253808.db2.gz DDILHDKGQUBZKR-ZDUSSCGKSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000873135029 634255194 /nfs/dbraw/zinc/25/51/94/634255194.db2.gz WCAHUWBBTSBDJL-CLLJXQQHSA-N 1 0 260.337 3.100 20 5 CGBDRO CC(C)(C)C(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877549046 635084421 /nfs/dbraw/zinc/08/44/21/635084421.db2.gz XCMXOGOVTLSEFU-UHFFFAOYSA-N 1 0 294.399 3.157 20 5 CGBDRO CS[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000877827891 635230605 /nfs/dbraw/zinc/23/06/05/635230605.db2.gz ZDBBTGIODXZNDS-GAFUQQFSSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000878659803 635594860 /nfs/dbraw/zinc/59/48/60/635594860.db2.gz JRHRZWXDUQCXSO-SWLSCSKDSA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1cc(N2CCC(C)([NH+]3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000882961975 636480581 /nfs/dbraw/zinc/48/05/81/636480581.db2.gz CVYBDAWHVAQJOQ-UHFFFAOYSA-N 1 0 295.408 3.029 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccns1 ZINC000883239722 636608790 /nfs/dbraw/zinc/60/87/90/636608790.db2.gz SMKLNNPKYYHNMK-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000848566242 636609522 /nfs/dbraw/zinc/60/95/22/636609522.db2.gz ZZRTTWASYQBWMO-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000883321188 636672895 /nfs/dbraw/zinc/67/28/95/636672895.db2.gz QUYIAVDCQNPVNV-BJJXKVORSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](CSCCF)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850471061 637080073 /nfs/dbraw/zinc/08/00/73/637080073.db2.gz LWPVXTOOBIMJOF-MNOVXSKESA-N 1 0 286.372 3.337 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C=CCC1)CCC2 ZINC000850510299 637096354 /nfs/dbraw/zinc/09/63/54/637096354.db2.gz SGICVPADFGGVBJ-IUODEOHRSA-N 1 0 258.321 3.280 20 5 CGBDRO C[C@H]([NH2+]CC[C@@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537700 637113010 /nfs/dbraw/zinc/11/30/10/637113010.db2.gz XMKKKYRYDLDPKK-ZANVPECISA-N 1 0 299.321 3.263 20 5 CGBDRO O=[N+]([O-])c1ncccc1CN(Cc1ccccc1)C1CC1 ZINC000885938305 637320893 /nfs/dbraw/zinc/32/08/93/637320893.db2.gz WWJIFOURSOWRIB-UHFFFAOYSA-N 1 0 283.331 3.154 20 5 CGBDRO O=[N+]([O-])c1ncccc1CN(Cc1cccs1)C1CC1 ZINC000885937612 637321008 /nfs/dbraw/zinc/32/10/08/637321008.db2.gz FKGWRPSLZFVGAC-UHFFFAOYSA-N 1 0 289.360 3.216 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@H]12 ZINC000885954351 637328789 /nfs/dbraw/zinc/32/87/89/637328789.db2.gz VPEKVDFIMUJJFT-BPLDGKMQSA-N 1 0 289.379 3.390 20 5 CGBDRO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885984009 637343042 /nfs/dbraw/zinc/34/30/42/637343042.db2.gz VMGOUNNWXNJMFR-UHFFFAOYSA-N 1 0 271.320 3.015 20 5 CGBDRO C[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021362 637369030 /nfs/dbraw/zinc/36/90/30/637369030.db2.gz UXCXRCHJZQFKNY-BZPMIXESSA-N 1 0 275.352 3.143 20 5 CGBDRO CC1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886021429 637369767 /nfs/dbraw/zinc/36/97/67/637369767.db2.gz VWZIZYGDVJBFRO-UHFFFAOYSA-N 1 0 263.341 3.002 20 5 CGBDRO CCS[C@H]1CC[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027291 637373332 /nfs/dbraw/zinc/37/33/32/637373332.db2.gz CZNARKREJSMENJ-STQMWFEESA-N 1 0 295.408 3.096 20 5 CGBDRO CN(CC[N@H+](C)C1CC1)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853482839 637853324 /nfs/dbraw/zinc/85/33/24/637853324.db2.gz LCAAXLDZMOGJQV-UHFFFAOYSA-N 1 0 299.321 3.063 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000925491463 638510475 /nfs/dbraw/zinc/51/04/75/638510475.db2.gz FGXGYWXSJDVIFG-VXGBXAGGSA-N 1 0 286.335 3.105 20 5 CGBDRO Cc1cc(C)nc(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000929162859 638904241 /nfs/dbraw/zinc/90/42/41/638904241.db2.gz UCDNAFWJHBRQQJ-UHFFFAOYSA-N 1 0 285.347 3.239 20 5 CGBDRO COC/C(C)=C/C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140469 638977633 /nfs/dbraw/zinc/97/76/33/638977633.db2.gz ADWIBZNDSKHSBI-UKTHLTGXSA-N 1 0 290.363 3.152 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccns1 ZINC000858577208 638996659 /nfs/dbraw/zinc/99/66/59/638996659.db2.gz QKPMTNLMUVDENT-SKDRFNHKSA-N 1 0 289.360 3.389 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934621347 639642125 /nfs/dbraw/zinc/64/21/25/639642125.db2.gz FJRYNHOTRPHULJ-ZWNOBZJWSA-N 1 0 264.300 3.178 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000934675227 639655809 /nfs/dbraw/zinc/65/58/09/639655809.db2.gz RYGXTLKMJZEULP-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO CC1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774871 640802666 /nfs/dbraw/zinc/80/26/66/640802666.db2.gz MHIISBMGDCZRNG-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1[nH]c(-c2nc3cc(N(C)C)ccc3[nH]2)c(C)c1[N+](=O)[O-] ZINC001251802348 805937993 /nfs/dbraw/zinc/93/79/93/805937993.db2.gz KFWPIIVFRZJJTH-UHFFFAOYSA-N 1 0 299.334 3.149 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159471041 806108036 /nfs/dbraw/zinc/10/80/36/806108036.db2.gz QTQAWHCGOTZAGF-UHFFFAOYSA-N 1 0 269.304 3.250 20 5 CGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc3c(c2)CC[NH2+]C3)c1 ZINC001159603903 806130316 /nfs/dbraw/zinc/13/03/16/806130316.db2.gz QMHWEURBTYZMJA-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO c1cnc2c(c1)cc(NC1=C[NH2+]CCC1)c1cccnc12 ZINC001159735815 806163720 /nfs/dbraw/zinc/16/37/20/806163720.db2.gz GVFAVOZUYHIOGX-UHFFFAOYSA-N 1 0 276.343 3.420 20 5 CGBDRO CC[NH2+]Cc1cccc(Nc2cccc([N+](=O)[O-])c2)c1 ZINC001159956354 806204161 /nfs/dbraw/zinc/20/41/61/806204161.db2.gz GWANHKXOOOHSIE-UHFFFAOYSA-N 1 0 271.320 3.448 20 5 CGBDRO Cc1cc(Cl)c(NCCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001161736050 806439273 /nfs/dbraw/zinc/43/92/73/806439273.db2.gz KWPKAENOFMXBPU-UHFFFAOYSA-N 1 0 285.775 3.310 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccncc1 ZINC001254537277 806446082 /nfs/dbraw/zinc/44/60/82/806446082.db2.gz YZGLMMLEWDHNBT-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCC1 ZINC001254540782 806446101 /nfs/dbraw/zinc/44/61/01/806446101.db2.gz WJJGXMAOMLVWKE-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1cccnc1 ZINC001254541243 806446297 /nfs/dbraw/zinc/44/62/97/806446297.db2.gz ZSBOUCZDFSFVNP-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(C)(C)C1 ZINC001254562883 806450947 /nfs/dbraw/zinc/45/09/47/806450947.db2.gz QUAOXVDRALRSIO-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1CCCCC1)C2 ZINC001254567281 806452793 /nfs/dbraw/zinc/45/27/93/806452793.db2.gz AAVDDBALUQIMJB-HNNXBMFYSA-N 1 0 274.364 3.232 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254567384 806453227 /nfs/dbraw/zinc/45/32/27/806453227.db2.gz NDWYOAXDSYPSJA-INIZCTEOSA-N 1 0 282.343 3.160 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254572803 806454712 /nfs/dbraw/zinc/45/47/12/806454712.db2.gz SISADODYTDWBCF-GWCFXTLKSA-N 1 0 262.353 3.086 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584204 806455920 /nfs/dbraw/zinc/45/59/20/806455920.db2.gz GBJQDXCAKRAFLZ-BYCMXARLSA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H](C(F)F)C1)C2 ZINC001254602976 806458155 /nfs/dbraw/zinc/45/81/55/806458155.db2.gz JKHPPQLTCVCGDQ-SMDDNHRTSA-N 1 0 296.317 3.039 20 5 CGBDRO C[C@@]1(F)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599680 806458205 /nfs/dbraw/zinc/45/82/05/806458205.db2.gz OJYKRMHSYVNHEH-JKSUJKDBSA-N 1 0 292.354 3.276 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601099 806458371 /nfs/dbraw/zinc/45/83/71/806458371.db2.gz ZGNQJEADCIWUBM-MLGOLLRUSA-N 1 0 274.364 3.184 20 5 CGBDRO C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC001254600771 806458535 /nfs/dbraw/zinc/45/85/35/806458535.db2.gz RJBAZHQLQMXYSB-WQGACYEGSA-N 1 0 274.364 3.182 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC(c3ccccc3)C1)C2 ZINC001254604729 806460023 /nfs/dbraw/zinc/46/00/23/806460023.db2.gz XFFTTYLCFXNPLH-SFHVURJKSA-N 1 0 294.354 3.161 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC1CC(F)C1 ZINC001162212558 806529797 /nfs/dbraw/zinc/52/97/97/806529797.db2.gz QFEJAYGQRATCSA-UHFFFAOYSA-N 1 0 251.369 3.195 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036785315 798851149 /nfs/dbraw/zinc/85/11/49/798851149.db2.gz LXQZUSHOTARUDT-SECBINFHSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1cc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)cc2ccccc21 ZINC001163268705 806734166 /nfs/dbraw/zinc/73/41/66/806734166.db2.gz NJRXDKZEKSIYBY-KCXAZCMYSA-N 1 0 297.358 3.158 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000400901599 799551658 /nfs/dbraw/zinc/55/16/58/799551658.db2.gz NGNGYEHAAZIRBY-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222332 799635417 /nfs/dbraw/zinc/63/54/17/799635417.db2.gz LJSQZTPEHHOFOP-HZMBPMFUSA-N 1 0 286.335 3.046 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1F ZINC000688255535 799744898 /nfs/dbraw/zinc/74/48/98/799744898.db2.gz NYWXFYWAAXZHDN-CQSZACIVSA-N 1 0 278.327 3.498 20 5 CGBDRO C[C@@H](F)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000702547031 799911435 /nfs/dbraw/zinc/91/14/35/799911435.db2.gz OWKYXICSULBHFS-MRVPVSSYSA-N 1 0 260.696 3.086 20 5 CGBDRO CC1(C)C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000709706835 800014792 /nfs/dbraw/zinc/01/47/92/800014792.db2.gz RHCQDWJEIOCKRW-LLVKDONJSA-N 1 0 298.408 3.340 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000714429520 800122103 /nfs/dbraw/zinc/12/21/03/800122103.db2.gz HUBPSKHCJGCXKX-OSAQELSMSA-N 1 0 278.352 3.061 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001163721800 806807565 /nfs/dbraw/zinc/80/75/65/806807565.db2.gz NSUWCWPTDRGJBJ-ZIAGYGMSSA-N 1 0 293.342 3.019 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CCCC1 ZINC000720377694 800256979 /nfs/dbraw/zinc/25/69/79/800256979.db2.gz BVYQHJJPXGURHN-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001163782477 806826826 /nfs/dbraw/zinc/82/68/26/806826826.db2.gz JHSDTEWZORSQOG-NSHDSACASA-N 1 0 273.336 3.110 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C2(C)CC2)cc1[N+](=O)[O-] ZINC001116495247 802365829 /nfs/dbraw/zinc/36/58/29/802365829.db2.gz RMJVDDQRRUBZAK-SNVBAGLBSA-N 1 0 264.325 3.197 20 5 CGBDRO C[C@H]([NH2+]C1(C2CC2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001117101123 802432775 /nfs/dbraw/zinc/43/27/75/802432775.db2.gz UYMYWTGJPGHCOR-LBPRGKRZSA-N 1 0 290.363 3.205 20 5 CGBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120602577 802752901 /nfs/dbraw/zinc/75/29/01/802752901.db2.gz FADHKMIUTXFVLZ-CFVMTHIKSA-N 1 0 292.379 3.043 20 5 CGBDRO C[NH2+]Cc1cccc(Nc2cc(Cl)ncc2[N+](=O)[O-])c1 ZINC001167032527 807132514 /nfs/dbraw/zinc/13/25/14/807132514.db2.gz DTHSEECIXGXQGK-UHFFFAOYSA-N 1 0 292.726 3.106 20 5 CGBDRO CCCC[NH+](CCCC)CCNc1cccnc1[N+](=O)[O-] ZINC001167733447 807235448 /nfs/dbraw/zinc/23/54/48/807235448.db2.gz VRCNXRWVSSAPFQ-UHFFFAOYSA-N 1 0 294.399 3.304 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001168960179 807541379 /nfs/dbraw/zinc/54/13/79/807541379.db2.gz DLXLTPOAFYJIAQ-YPMHNXCESA-N 1 0 284.306 3.159 20 5 CGBDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168966661 807543003 /nfs/dbraw/zinc/54/30/03/807543003.db2.gz KRKMENCVLBEGCV-GJZGRUSLSA-N 1 0 292.379 3.010 20 5 CGBDRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168968046 807543722 /nfs/dbraw/zinc/54/37/22/807543722.db2.gz VEBIFARZKFUYSC-GUTXKFCHSA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2coc3ccccc23)C1 ZINC001168977709 807544588 /nfs/dbraw/zinc/54/45/88/807544588.db2.gz LKHPEEGOUZJVBY-JSGCOSHPSA-N 1 0 288.347 3.010 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@H]32)C1 ZINC001168978393 807545768 /nfs/dbraw/zinc/54/57/68/807545768.db2.gz RVDNZFNSEHMJIF-IBEHDNSVSA-N 1 0 280.412 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001168986746 807546989 /nfs/dbraw/zinc/54/69/89/807546989.db2.gz YYQLRPCGVXNPHF-HFAKWTLXSA-N 1 0 294.782 3.362 20 5 CGBDRO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168987199 807547002 /nfs/dbraw/zinc/54/70/02/807547002.db2.gz HMZZEYUTLPPGPV-DOTOQJQBSA-N 1 0 290.407 3.388 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(OC)c1 ZINC001168984998 807547298 /nfs/dbraw/zinc/54/72/98/807547298.db2.gz BXTWLGANHXVMSV-JGGQBBKZSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC001168987998 807547843 /nfs/dbraw/zinc/54/78/43/807547843.db2.gz MKSUMTJHKWRFQS-DZGCQCFKSA-N 1 0 274.364 3.101 20 5 CGBDRO Cc1ccc(Cl)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168988061 807547865 /nfs/dbraw/zinc/54/78/65/807547865.db2.gz NBOVSRQDZCOWKW-YPMHNXCESA-N 1 0 282.771 3.183 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168992844 807549429 /nfs/dbraw/zinc/54/94/29/807549429.db2.gz LDNGNFUGAFJAHE-RYUDHWBXSA-N 1 0 280.343 3.096 20 5 CGBDRO CCCCC1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010734 807552195 /nfs/dbraw/zinc/55/21/95/807552195.db2.gz FXRAUOLAEXQRAK-LSDHHAIUSA-N 1 0 268.401 3.334 20 5 CGBDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006780 807552199 /nfs/dbraw/zinc/55/21/99/807552199.db2.gz YWUXKDGPDNOHFW-WDEREUQCSA-N 1 0 295.770 3.009 20 5 CGBDRO CC(C)c1nc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001169040232 807556767 /nfs/dbraw/zinc/55/67/67/807556767.db2.gz YYYJRKDTPIPSOC-AAEUAGOBSA-N 1 0 297.424 3.144 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001169040960 807557881 /nfs/dbraw/zinc/55/78/81/807557881.db2.gz AFMGWADEWFDUBZ-JKSUJKDBSA-N 1 0 276.380 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCSc3ccccc3C2)C1 ZINC001169046360 807558385 /nfs/dbraw/zinc/55/83/85/807558385.db2.gz KZXCAUPMLHXKAP-OCCSQVGLSA-N 1 0 292.404 3.040 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@H]1CCc2ccccc21 ZINC001169053944 807561232 /nfs/dbraw/zinc/56/12/32/807561232.db2.gz KRSLMVRVEAZAAO-BJJXKVORSA-N 1 0 274.364 3.051 20 5 CGBDRO CC/C=C/[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313556 807825462 /nfs/dbraw/zinc/82/54/62/807825462.db2.gz ONYCLKIHJPPONT-BWNDKRECSA-N 1 0 264.325 3.048 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334765 807826835 /nfs/dbraw/zinc/82/68/35/807826835.db2.gz IFCCQOFJNFSNEI-RYUDHWBXSA-N 1 0 280.368 3.265 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895787 808475023 /nfs/dbraw/zinc/47/50/23/808475023.db2.gz IYFZULRIJGGMDA-BYCMXARLSA-N 1 0 274.364 3.088 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCCCC1)CC2 ZINC001172909985 808476300 /nfs/dbraw/zinc/47/63/00/808476300.db2.gz WFXKKHUKEYRDPX-HNNXBMFYSA-N 1 0 274.364 3.328 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172909946 808476644 /nfs/dbraw/zinc/47/66/44/808476644.db2.gz VYBBSWDQRHXTKF-WPGHFRTFSA-N 1 0 292.354 3.132 20 5 CGBDRO C[Si](C)(C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912957 808477883 /nfs/dbraw/zinc/47/78/83/808477883.db2.gz SBVGPCZFNBWQEF-AWEZNQCLSA-N 1 0 292.455 3.309 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C(C)(C)C)c1F ZINC001173176155 808533094 /nfs/dbraw/zinc/53/30/94/808533094.db2.gz ZBYJXNLEORPZKE-SECBINFHSA-N 1 0 284.331 3.062 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H](C)C(C)C)c1F ZINC001173176101 808533640 /nfs/dbraw/zinc/53/36/40/808533640.db2.gz XLAKGWFWDOYZOB-GHMZBOCLSA-N 1 0 298.358 3.308 20 5 CGBDRO CC[C@@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180904 808533679 /nfs/dbraw/zinc/53/36/79/808533679.db2.gz ZFOFOKRQSUIONF-NXEZZACHSA-N 1 0 284.331 3.062 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cscn1 ZINC001173213821 808539141 /nfs/dbraw/zinc/53/91/41/808539141.db2.gz KZQGENSSTGEDAE-GHMZBOCLSA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC2)CC1 ZINC001173221422 808539647 /nfs/dbraw/zinc/53/96/47/808539647.db2.gz IFMHENGHAPFULK-ZDUSSCGKSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(N)cc1 ZINC001173220056 808539794 /nfs/dbraw/zinc/53/97/94/808539794.db2.gz SJINMIQMZPZHLK-STQMWFEESA-N 1 0 299.374 3.459 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(CF)C1 ZINC001173222995 808540408 /nfs/dbraw/zinc/54/04/08/808540408.db2.gz WAZLONFUWYNBKE-DOMZBBRYSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC=CCC1 ZINC001173218171 808540540 /nfs/dbraw/zinc/54/05/40/808540540.db2.gz BXKOFIVHZGWLGR-GXTWGEPZSA-N 1 0 260.337 3.224 20 5 CGBDRO CO[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226591 808541082 /nfs/dbraw/zinc/54/10/82/808541082.db2.gz MTAWPQYKPSXEOG-XPKDYRNWSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CC1CC1)C1CC1 ZINC001173230286 808542573 /nfs/dbraw/zinc/54/25/73/808542573.db2.gz DOEDXJUQAFLSIG-GFCCVEGCSA-N 1 0 274.364 3.400 20 5 CGBDRO CC(C)=CCNCc1c(Br)cccc1[N+](=O)[O-] ZINC001178488652 809870426 /nfs/dbraw/zinc/87/04/26/809870426.db2.gz ZODYCHJDVHTKSX-UHFFFAOYSA-N 1 0 299.168 3.413 20 5 CGBDRO Cc1ccc(Nc2c[nH+]ccc2N(C)C)cc1[N+](=O)[O-] ZINC001213661488 815319933 /nfs/dbraw/zinc/31/99/33/815319933.db2.gz JYCQYJXRTLJXOH-UHFFFAOYSA-N 1 0 272.308 3.108 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC001179768696 809943263 /nfs/dbraw/zinc/94/32/63/809943263.db2.gz SOZDDNUKZWBESN-TUKIKUTGSA-N 1 0 290.363 3.272 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC001179768694 809943358 /nfs/dbraw/zinc/94/33/58/809943358.db2.gz SOZDDNUKZWBESN-KCPJHIHWSA-N 1 0 290.363 3.272 20 5 CGBDRO Cc1cc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187445570 810399747 /nfs/dbraw/zinc/39/97/47/810399747.db2.gz MONJUBJHPFDBGB-HNNXBMFYSA-N 1 0 291.395 3.070 20 5 CGBDRO CC[C@H](C)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521629 810721785 /nfs/dbraw/zinc/72/17/85/810721785.db2.gz UCISKNKXWKWPDD-RYUDHWBXSA-N 1 0 262.353 3.388 20 5 CGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001191788947 810740991 /nfs/dbraw/zinc/74/09/91/810740991.db2.gz BVFFOCBFGHWEKU-TZMCWYRMSA-N 1 0 294.399 3.000 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC(C)(C)C ZINC001195497242 811263523 /nfs/dbraw/zinc/26/35/23/811263523.db2.gz HAHADSKYXFPGEZ-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC001197646327 811442122 /nfs/dbraw/zinc/44/21/22/811442122.db2.gz DVPNUESGCOFKHF-DOMZBBRYSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[N@H+](CCNCc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001199990764 811624041 /nfs/dbraw/zinc/62/40/41/811624041.db2.gz NUIPTJRTBLOMLR-UHFFFAOYSA-N 1 0 293.411 3.032 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccccc2C[NH+]2CCCC2)cn1 ZINC001203574749 812397946 /nfs/dbraw/zinc/39/79/46/812397946.db2.gz JHDABVDABMEEPX-UHFFFAOYSA-N 1 0 298.346 3.329 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001204064462 812539133 /nfs/dbraw/zinc/53/91/33/812539133.db2.gz XGUCTAJXWALCRK-QGZVFWFLSA-N 1 0 298.342 3.264 20 5 CGBDRO O=[N+]([O-])c1c(O[C@H]2CCCC[NH2+]C2)ccc2ccccc21 ZINC001217974523 816027038 /nfs/dbraw/zinc/02/70/38/816027038.db2.gz OEYKHWBWXIAZQA-ZDUSSCGKSA-N 1 0 286.331 3.269 20 5 CGBDRO Cc1cc(O[C@H](C)C2CC[NH2+]CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001218004923 816046061 /nfs/dbraw/zinc/04/60/61/816046061.db2.gz HEAYWUMESYRRPR-CYBMUJFWSA-N 1 0 292.379 3.287 20 5 CGBDRO C[C@@H](Oc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218004315 816047201 /nfs/dbraw/zinc/04/72/01/816047201.db2.gz FAQZCJQZUKIRTF-SECBINFHSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218036560 816068778 /nfs/dbraw/zinc/06/87/78/816068778.db2.gz BZDFQSFOPPBYJO-RNFRBKRXSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C[NH2+]1 ZINC001218045595 816071957 /nfs/dbraw/zinc/07/19/57/816071957.db2.gz DIXJPHDHSCHSCE-YPMHNXCESA-N 1 0 295.338 3.075 20 5 CGBDRO Cc1cc(C)c2ccc3cccc(OC4C[NH2+]C4)c3c2n1 ZINC001218054383 816077042 /nfs/dbraw/zinc/07/70/42/816077042.db2.gz OTTGTWDWYQQWOO-UHFFFAOYSA-N 1 0 278.355 3.355 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056557 816078560 /nfs/dbraw/zinc/07/85/60/816078560.db2.gz OXZQZLCYAXQKJL-YPMHNXCESA-N 1 0 286.331 3.267 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218068748 816086097 /nfs/dbraw/zinc/08/60/97/816086097.db2.gz FTUISTFHEQFPEX-SJORKVTESA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)ccc1Cl ZINC001218097912 816097318 /nfs/dbraw/zinc/09/73/18/816097318.db2.gz USHACTVQMMOCFK-KGLIPLIRSA-N 1 0 296.754 3.159 20 5 CGBDRO C[C@H](Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1)C1C[NH2+]C1 ZINC001218198599 816124799 /nfs/dbraw/zinc/12/47/99/816124799.db2.gz NRURBHFQPBYGBT-LBPRGKRZSA-N 1 0 298.342 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CCC[NH2+]C3)cc1Cl ZINC001218253832 816143037 /nfs/dbraw/zinc/14/30/37/816143037.db2.gz NBJBQNSWFMCYGO-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO C[C@H](Oc1cccc(C[NH3+])c1)c1cccc([N+](=O)[O-])c1 ZINC001218344234 816172796 /nfs/dbraw/zinc/17/27/96/816172796.db2.gz STQVAOGCOINZBO-NSHDSACASA-N 1 0 272.304 3.194 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001218412665 816202839 /nfs/dbraw/zinc/20/28/39/816202839.db2.gz CSXXWIYJQNROOU-XHDPSFHLSA-N 1 0 286.331 3.125 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)ccc2ccccc21 ZINC001218468532 816228719 /nfs/dbraw/zinc/22/87/19/816228719.db2.gz SCZVQMUMTRAACB-AEGPPILISA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001218472175 816231162 /nfs/dbraw/zinc/23/11/62/816231162.db2.gz NTEJGHWLTOZVDB-LBPRGKRZSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1cccc(O[C@@H]2C[NH2+]Cc3ccccc32)c1[N+](=O)[O-] ZINC001218484728 816239596 /nfs/dbraw/zinc/23/95/96/816239596.db2.gz ULHDSWLIILBHLI-OAHLLOKOSA-N 1 0 284.315 3.127 20 5 CGBDRO C[C@@H](OC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707982 816861117 /nfs/dbraw/zinc/86/11/17/816861117.db2.gz UZBHGVCRJVPCNL-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1 ZINC001225260622 816984804 /nfs/dbraw/zinc/98/48/04/816984804.db2.gz SNOSBPJMVLOCLI-JTQLQIEISA-N 1 0 262.295 3.179 20 5 CGBDRO Cc1cccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225635374 817121834 /nfs/dbraw/zinc/12/18/34/817121834.db2.gz GHTDGDBDONUAKC-ZDUSSCGKSA-N 1 0 278.352 3.155 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225786910 817178732 /nfs/dbraw/zinc/17/87/32/817178732.db2.gz ZMAUGUNLNVRCFJ-SNVBAGLBSA-N 1 0 284.743 3.111 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385677 817341285 /nfs/dbraw/zinc/34/12/85/817341285.db2.gz IVOGPDCMOCIUNY-OAHLLOKOSA-N 1 0 298.342 3.345 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001226515283 817382254 /nfs/dbraw/zinc/38/22/54/817382254.db2.gz QIBCLYNYHYXEQZ-GFCCVEGCSA-N 1 0 297.354 3.275 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)nc2ccccc21 ZINC001226884511 817494694 /nfs/dbraw/zinc/49/46/94/817494694.db2.gz SEQHSOYGRWYYSA-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226953121 817516016 /nfs/dbraw/zinc/51/60/16/817516016.db2.gz SCJDPPJQYLTPFA-CQSZACIVSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc(C)c1Cl ZINC001227844217 817732044 /nfs/dbraw/zinc/73/20/44/817732044.db2.gz CVQANCWZMBZEDC-LBPRGKRZSA-N 1 0 256.797 3.430 20 5 CGBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)c(C(C)(C)C)c1 ZINC001228031460 817789839 /nfs/dbraw/zinc/78/98/39/817789839.db2.gz OSOAAOAOFBCERM-CYBMUJFWSA-N 1 0 280.432 3.466 20 5 CGBDRO COc1ccc2c(cccc2O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228748576 817998506 /nfs/dbraw/zinc/99/85/06/817998506.db2.gz DWWQCHWCCYLSFK-ZDUSSCGKSA-N 1 0 274.384 3.322 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)ccc2cccnc21 ZINC001228792891 818011542 /nfs/dbraw/zinc/01/15/42/818011542.db2.gz GVJPKLGKVMMPAQ-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cc(F)cc1Cl ZINC001233834530 818715239 /nfs/dbraw/zinc/71/52/39/818715239.db2.gz WVZDKMLSKYQEOU-MRVPVSSYSA-N 1 0 264.723 3.092 20 5 CGBDRO CSc1cc(F)c(O[C@H](C)C[N+](C)(C)C)cc1F ZINC001234926594 818953361 /nfs/dbraw/zinc/95/33/61/818953361.db2.gz GVPOFRWEQDUDNA-SECBINFHSA-N 1 0 276.372 3.160 20 5 CGBDRO c1cnc2c(c1)ccc1c(C3=CC[NH2+]CC3)ccnc12 ZINC001240470576 821078246 /nfs/dbraw/zinc/07/82/46/821078246.db2.gz MFMLJLABZIYJSC-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC(F)F)cc1Cl ZINC001343246824 936492606 /nfs/dbraw/zinc/49/26/06/936492606.db2.gz QAGFENUPIJXWRD-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC001460049941 937513647 /nfs/dbraw/zinc/51/36/47/937513647.db2.gz VHQKQVHSGFBUJT-AWEZNQCLSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229471183 932157386 /nfs/dbraw/zinc/15/73/86/932157386.db2.gz XPYSXFJAWAJOCK-ZDUSSCGKSA-N 1 0 278.352 3.073 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001229881915 932497733 /nfs/dbraw/zinc/49/77/33/932497733.db2.gz IGGVMOIVZKWHQA-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1Cl ZINC001229974479 932513853 /nfs/dbraw/zinc/51/38/53/932513853.db2.gz GFZPXRAACCPFPW-NSHDSACASA-N 1 0 298.770 3.420 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ncc(Cl)cc2c1 ZINC001230579937 932592775 /nfs/dbraw/zinc/59/27/75/932592775.db2.gz MYQVBYULGIDQDT-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001230723111 932614904 /nfs/dbraw/zinc/61/49/04/932614904.db2.gz DRHNRTNATYREBK-AWEZNQCLSA-N 1 0 292.379 3.463 20 5 CGBDRO CCCN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC001307116286 932915876 /nfs/dbraw/zinc/91/58/76/932915876.db2.gz GDRJVZPJBJGQAR-UHFFFAOYSA-N 1 0 295.358 3.046 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(C3CC3)CCC2)cc1 ZINC001308066593 933043417 /nfs/dbraw/zinc/04/34/17/933043417.db2.gz CNYZCZGEBGFCPL-UHFFFAOYSA-N 1 0 290.363 3.286 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001308132860 933052570 /nfs/dbraw/zinc/05/25/70/933052570.db2.gz COIKFFUISJJXIN-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)cn1 ZINC001308448774 933112520 /nfs/dbraw/zinc/11/25/20/933112520.db2.gz OJNHBBKHEUKBQJ-RIYZIHGNSA-N 1 0 297.358 3.491 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)[C@@H](C)O)cc1[N+](=O)[O-] ZINC001308541086 933128498 /nfs/dbraw/zinc/12/84/98/933128498.db2.gz FZLDUZZENVXFOQ-GFCCVEGCSA-N 1 0 294.395 3.215 20 5 CGBDRO CC1([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001320094681 933999172 /nfs/dbraw/zinc/99/91/72/933999172.db2.gz MHKHSGXVXCFXJO-OCCSQVGLSA-N 1 0 274.364 3.448 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C\C1CC1 ZINC001324272125 934479918 /nfs/dbraw/zinc/47/99/18/934479918.db2.gz IIPNNYBQHFMABA-ARJAWSKDSA-N 1 0 276.336 3.049 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472801927 937784593 /nfs/dbraw/zinc/78/45/93/937784593.db2.gz IUEIDYFJYXHVKV-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001328697090 935160281 /nfs/dbraw/zinc/16/02/81/935160281.db2.gz QREAMPTWOOIAOM-UTUOFQBUSA-N 1 0 282.290 3.118 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)c1 ZINC001330768692 935321107 /nfs/dbraw/zinc/32/11/07/935321107.db2.gz YPXRXNBQVUSIDW-RTXFEEFZSA-N 1 0 282.290 3.118 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C/C1CC1 ZINC001331973652 935429109 /nfs/dbraw/zinc/42/91/09/935429109.db2.gz QPHLIJSJMNQUGO-KXMPLOMGSA-N 1 0 278.327 3.221 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001333329398 935525670 /nfs/dbraw/zinc/52/56/70/935525670.db2.gz WWZDKLQPQVBGAF-MHNYQROPSA-N 1 0 294.301 3.215 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC001333671591 935559311 /nfs/dbraw/zinc/55/93/11/935559311.db2.gz LEEMCIFHUIDWOX-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001336947923 936229586 /nfs/dbraw/zinc/22/95/86/936229586.db2.gz QRKKNZSESYDDGW-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC001473897973 937828528 /nfs/dbraw/zinc/82/85/28/937828528.db2.gz UHGRTJARWCACEN-OAHLLOKOSA-N 1 0 292.379 3.232 20 5 CGBDRO CCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC001559049990 938219477 /nfs/dbraw/zinc/21/94/77/938219477.db2.gz GKYCRVXRBWFWST-UHFFFAOYSA-N 1 0 299.321 3.064 20 5 CGBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001559675490 938232540 /nfs/dbraw/zinc/23/25/40/938232540.db2.gz JWMBONJKIPBSBZ-CYBMUJFWSA-N 1 0 292.379 3.342 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001560340745 938253796 /nfs/dbraw/zinc/25/37/96/938253796.db2.gz KPXKARMVHJHCOD-DOTOQJQBSA-N 1 0 282.343 3.316 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)c1 ZINC001560340747 938253908 /nfs/dbraw/zinc/25/39/08/938253908.db2.gz KPXKARMVHJHCOD-RDJZCZTQSA-N 1 0 282.343 3.316 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@H]1C(C)C ZINC001560707541 938271584 /nfs/dbraw/zinc/27/15/84/938271584.db2.gz NLHZHTTUTDZVTH-AWEZNQCLSA-N 1 0 262.353 3.442 20 5 CGBDRO Cc1cc(NCCC[N@@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC001163657229 958838253 /nfs/dbraw/zinc/83/82/53/958838253.db2.gz VLNXZQKWVQTRJQ-UHFFFAOYSA-N 1 0 279.384 3.293 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)OC(C)(C)[C@H]2C ZINC001225500987 960406493 /nfs/dbraw/zinc/40/64/93/960406493.db2.gz STORVLRLMJLFRE-OLZOCXBDSA-N 1 0 278.416 3.435 20 5 CGBDRO Cc1ccc(N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579723466 962660324 /nfs/dbraw/zinc/66/03/24/962660324.db2.gz BTMMLQWREXIALK-NILFDRSVSA-N 1 0 289.379 3.092 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C2CC2)C1 ZINC000589736740 346809972 /nfs/dbraw/zinc/80/99/72/346809972.db2.gz GDGBWPCDFUIQTP-KPKJPENVSA-N 1 0 272.348 3.340 20 5 CGBDRO O=[N+]([O-])c1ccsc1NCCCCC[NH+]1CCCC1 ZINC000590143608 346830932 /nfs/dbraw/zinc/83/09/32/346830932.db2.gz VWESHRHYTJZHAI-UHFFFAOYSA-N 1 0 283.397 3.334 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337987047 214345579 /nfs/dbraw/zinc/34/55/79/214345579.db2.gz GHCGSTBTJLLELQ-CABCVRRESA-N 1 0 290.363 3.272 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000591686588 346932781 /nfs/dbraw/zinc/93/27/81/346932781.db2.gz GRZAVSCQSBYPLO-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295045694 199318157 /nfs/dbraw/zinc/31/81/57/199318157.db2.gz PVYPIZFNOLFKDZ-GJZGRUSLSA-N 1 0 292.379 3.111 20 5 CGBDRO C[N@H+](CCC(C)(C)C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000592145516 346966732 /nfs/dbraw/zinc/96/67/32/346966732.db2.gz WTSCPTIVTOLQBH-UHFFFAOYSA-N 1 0 290.367 3.339 20 5 CGBDRO C[C@H]1CC2(C[N@@H+]1Cc1csc([N+](=O)[O-])c1)CCOCC2 ZINC000592181478 346969406 /nfs/dbraw/zinc/96/94/06/346969406.db2.gz FEZYLZBGCNQPHU-NSHDSACASA-N 1 0 296.392 3.047 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118748 347042344 /nfs/dbraw/zinc/04/23/44/347042344.db2.gz YHURJBYHBRFGJJ-GWCFXTLKSA-N 1 0 282.290 3.387 20 5 CGBDRO Cc1ccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040624233 344964670 /nfs/dbraw/zinc/96/46/70/344964670.db2.gz BWRNXHSBRPQGBN-CYBMUJFWSA-N 1 0 277.368 3.045 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000063309053 345245192 /nfs/dbraw/zinc/24/51/92/345245192.db2.gz DRWFUPKRGOBLDY-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](c1ccco1)[NH+](C)C ZINC000080532783 345678240 /nfs/dbraw/zinc/67/82/40/345678240.db2.gz UXFPTZWYXYMQHO-CQSZACIVSA-N 1 0 289.335 3.211 20 5 CGBDRO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000083173457 345724417 /nfs/dbraw/zinc/72/44/17/345724417.db2.gz PLYQNHBUFVEDGJ-UHFFFAOYSA-N 1 0 289.335 3.358 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083484018 345726444 /nfs/dbraw/zinc/72/64/44/345726444.db2.gz XBZOXCSJXBFISE-ZWNOBZJWSA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000090084773 345780979 /nfs/dbraw/zinc/78/09/79/345780979.db2.gz CXNWSMAMHCCCBQ-STQMWFEESA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090588002 345790364 /nfs/dbraw/zinc/79/03/64/345790364.db2.gz PRMBKJUCAKBBMU-DGCLKSJQSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000090857077 345797170 /nfs/dbraw/zinc/79/71/70/345797170.db2.gz PWCXIOPVALNVIV-CORIIIEPSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1cc(OCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC000128158061 346038330 /nfs/dbraw/zinc/03/83/30/346038330.db2.gz VCBZDSZGXMFGIB-UHFFFAOYSA-N 1 0 258.277 3.186 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160546503 346171275 /nfs/dbraw/zinc/17/12/75/346171275.db2.gz JQRMSWZFHHWZCZ-ZENOOKHLSA-N 1 0 292.379 3.105 20 5 CGBDRO CS[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235219556 346334237 /nfs/dbraw/zinc/33/42/37/346334237.db2.gz QBHUCLJHWXBXHT-DZGCQCFKSA-N 1 0 294.420 3.401 20 5 CGBDRO CC(C)[N@H+](C)CCNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000312311702 346477061 /nfs/dbraw/zinc/47/70/61/346477061.db2.gz ZUYIWMNTGPKHDY-UHFFFAOYSA-N 1 0 287.310 3.285 20 5 CGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000312569659 346477803 /nfs/dbraw/zinc/47/78/03/346477803.db2.gz LIHWXPIMEDOSOY-VIFPVBQESA-N 1 0 287.310 3.285 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000588978218 346779477 /nfs/dbraw/zinc/77/94/77/346779477.db2.gz QEEGOVVEOANSMI-CQSZACIVSA-N 1 0 290.363 3.096 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCC1 ZINC000594501234 347179920 /nfs/dbraw/zinc/17/99/20/347179920.db2.gz JHZLHYSGQDURNX-YGRLFVJLSA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594508585 347182417 /nfs/dbraw/zinc/18/24/17/347182417.db2.gz DKHRIUCNTDNCTQ-HOTGVXAUSA-N 1 0 290.363 3.032 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000594516854 347186651 /nfs/dbraw/zinc/18/66/51/347186651.db2.gz GQIFSSJZKBKHSI-MQMHXKEQSA-N 1 0 278.352 3.031 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594518628 347187347 /nfs/dbraw/zinc/18/73/47/347187347.db2.gz IKVUCQJFESBTCV-HOCLYGCPSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725266 347214351 /nfs/dbraw/zinc/21/43/51/347214351.db2.gz XTMBMBALHMSCFJ-DOMZBBRYSA-N 1 0 291.395 3.118 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C1CC1 ZINC000595004117 347253410 /nfs/dbraw/zinc/25/34/10/347253410.db2.gz NRLSAGRZLHBHPR-UWVGGRQHSA-N 1 0 264.325 3.053 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594978469 347247256 /nfs/dbraw/zinc/24/72/56/347247256.db2.gz BXGZOKOXEUOKEH-MRXNPFEDSA-N 1 0 298.342 3.386 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000594984400 347249473 /nfs/dbraw/zinc/24/94/73/347249473.db2.gz KCBYQRHONXQYFQ-PTEHBNRSSA-N 1 0 266.728 3.136 20 5 CGBDRO C[C@H](CSCCF)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595009717 347255802 /nfs/dbraw/zinc/25/58/02/347255802.db2.gz VLJSDHJZMHJFJT-MNOVXSKESA-N 1 0 286.372 3.337 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595041675 347267024 /nfs/dbraw/zinc/26/70/24/347267024.db2.gz NWZNHTTYOGYJJH-WCQYABFASA-N 1 0 296.367 3.069 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056928 347272871 /nfs/dbraw/zinc/27/28/71/347272871.db2.gz SSYOPRAKZWENGL-JKSUJKDBSA-N 1 0 292.379 3.187 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595065399 347275290 /nfs/dbraw/zinc/27/52/90/347275290.db2.gz DQAMVXBIBRFTKA-BPLDGKMQSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)(F)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595086576 347279528 /nfs/dbraw/zinc/27/95/28/347279528.db2.gz LPAIDNLENKROAD-NEPJUHHUSA-N 1 0 298.362 3.003 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000595092939 347281359 /nfs/dbraw/zinc/28/13/59/347281359.db2.gz BNJFHJUZFAMNRA-GFCCVEGCSA-N 1 0 274.320 3.471 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595755122 347350373 /nfs/dbraw/zinc/35/03/73/347350373.db2.gz GSQBZZBRSNVFLG-CQSZACIVSA-N 1 0 280.343 3.209 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595429439 347302110 /nfs/dbraw/zinc/30/21/10/347302110.db2.gz NSOAVNLDZCDJEU-NWDGAFQWSA-N 1 0 281.356 3.196 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000595561498 347319914 /nfs/dbraw/zinc/31/99/14/347319914.db2.gz KGPXLXAUQNGBIM-DZGCQCFKSA-N 1 0 296.342 3.171 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000596305783 347413424 /nfs/dbraw/zinc/41/34/24/347413424.db2.gz AKYAMISHSJNCDT-LLVKDONJSA-N 1 0 281.331 3.019 20 5 CGBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CC1(C)C ZINC000595913835 347372880 /nfs/dbraw/zinc/37/28/80/347372880.db2.gz VPDJNKPKOWPQJM-JTQLQIEISA-N 1 0 289.335 3.214 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596083931 347381287 /nfs/dbraw/zinc/38/12/87/347381287.db2.gz ZBWIPYQIIKIIGX-GHMZBOCLSA-N 1 0 281.381 3.003 20 5 CGBDRO Cc1cc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000596216552 347399709 /nfs/dbraw/zinc/39/97/09/347399709.db2.gz FQAFZEKLVBUHBV-UHFFFAOYSA-N 1 0 295.408 3.394 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC2(F)F)c(Cl)c1 ZINC000598650524 347675766 /nfs/dbraw/zinc/67/57/66/347675766.db2.gz ZGDZZPBWAIAEAO-VIFPVBQESA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598679042 347678019 /nfs/dbraw/zinc/67/80/19/347678019.db2.gz DDYUMILDYLRTET-ONGXEEELSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CC=CCC1 ZINC000598998532 347704963 /nfs/dbraw/zinc/70/49/63/347704963.db2.gz BKCFQPZWFIRYNK-ZDUSSCGKSA-N 1 0 260.337 3.431 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000599674268 347764450 /nfs/dbraw/zinc/76/44/50/347764450.db2.gz ABDCNAVZTMYGHE-ZFWWWQNUSA-N 1 0 260.337 3.359 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000599164097 347722772 /nfs/dbraw/zinc/72/27/72/347722772.db2.gz JOSCPZSYNPELEV-LLVKDONJSA-N 1 0 281.381 3.085 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000599553402 347754383 /nfs/dbraw/zinc/75/43/83/347754383.db2.gz SPCIKQLGBNTVSV-KGLIPLIRSA-N 1 0 292.404 3.373 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599624986 347759053 /nfs/dbraw/zinc/75/90/53/347759053.db2.gz KPYKBPNKCLGETO-RZGXBDKHSA-N 1 0 298.770 3.150 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000600214016 347794628 /nfs/dbraw/zinc/79/46/28/347794628.db2.gz KGBZFGWLVUONJW-HNNXBMFYSA-N 1 0 298.342 3.290 20 5 CGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc([C@@H]3CCC[NH2+]3)c2)c1 ZINC000600782060 347835334 /nfs/dbraw/zinc/83/53/34/347835334.db2.gz IILLHQRQUXCZJK-KRWDZBQOSA-N 1 0 298.342 3.179 20 5 CGBDRO CC[C@@H]1Cc2c(cccc2-c2ccc([N+](=O)[O-])nc2)C[NH2+]1 ZINC000600788362 347835895 /nfs/dbraw/zinc/83/58/95/347835895.db2.gz INRNRLRBQNJFHJ-CYBMUJFWSA-N 1 0 283.331 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc(C3CC[NH2+]CC3)c2)cn1 ZINC000600788700 347836250 /nfs/dbraw/zinc/83/62/50/347836250.db2.gz MJHPYJKVFCZZIK-UHFFFAOYSA-N 1 0 283.331 3.124 20 5 CGBDRO [NH3+][C@@H]1CCCCc2cc(-c3ccc([N+](=O)[O-])nc3)ccc21 ZINC000600789018 347836349 /nfs/dbraw/zinc/83/63/49/347836349.db2.gz PFVCYFIWQWYZMO-OAHLLOKOSA-N 1 0 283.331 3.383 20 5 CGBDRO Cc1cc2c(c(-c3ccc([N+](=O)[O-])cc3)c1)CC[NH2+]C2 ZINC000600789219 347836431 /nfs/dbraw/zinc/83/64/31/347836431.db2.gz SRXUMYXTHXBHNF-UHFFFAOYSA-N 1 0 268.316 3.216 20 5 CGBDRO Cc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601149504 347874874 /nfs/dbraw/zinc/87/48/74/347874874.db2.gz NBLFLHAMYIGHPK-UKRRQHHQSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cs1 ZINC000601155804 347876331 /nfs/dbraw/zinc/87/63/31/347876331.db2.gz GLQLPJJHLFPHOF-TZMCWYRMSA-N 1 0 296.392 3.094 20 5 CGBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000601266715 347886550 /nfs/dbraw/zinc/88/65/50/347886550.db2.gz FCIIHSJLWKSTIX-INIZCTEOSA-N 1 0 298.342 3.381 20 5 CGBDRO CSCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602500219 347970464 /nfs/dbraw/zinc/97/04/64/347970464.db2.gz WUJOQBPMEKHBQC-UHFFFAOYSA-N 1 0 294.298 3.066 20 5 CGBDRO C/C=C/C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602724890 348017857 /nfs/dbraw/zinc/01/78/57/348017857.db2.gz MZODCZIKTGDNKB-NSCUHMNNSA-N 1 0 291.170 3.085 20 5 CGBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602787205 348029623 /nfs/dbraw/zinc/02/96/23/348029623.db2.gz IUHDXESCNSHKLG-QWHCGFSZSA-N 1 0 294.399 3.023 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCC3CC3)nc2c1 ZINC000602559277 347982390 /nfs/dbraw/zinc/98/23/90/347982390.db2.gz XNPANAVVIFYTFG-UHFFFAOYSA-N 1 0 275.308 3.016 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000604525304 348123729 /nfs/dbraw/zinc/12/37/29/348123729.db2.gz LBWYDTVDNHLPJE-UHFFFAOYSA-N 1 0 290.285 3.412 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000609120998 348336368 /nfs/dbraw/zinc/33/63/68/348336368.db2.gz RADYTRIOMUJWRD-CQSZACIVSA-N 1 0 290.363 3.368 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581219 348391038 /nfs/dbraw/zinc/39/10/38/348391038.db2.gz RVYATXXSBCSNAF-SNVBAGLBSA-N 1 0 277.324 3.356 20 5 CGBDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000611383371 348442824 /nfs/dbraw/zinc/44/28/24/348442824.db2.gz VGDLZDMSJKMGIM-LBPRGKRZSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1F ZINC000611800094 348476869 /nfs/dbraw/zinc/47/68/69/348476869.db2.gz MBAOIPPRHNDYMO-RNCFNFMXSA-N 1 0 286.734 3.428 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351978767 219272397 /nfs/dbraw/zinc/27/23/97/219272397.db2.gz ZOAMMHCYMHNMHW-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CC(C)(CNc1ccc([N+](=O)[O-])s1)C[NH+]1CCCC1 ZINC000616404031 348817723 /nfs/dbraw/zinc/81/77/23/348817723.db2.gz ZMMDZCFQHRIWJD-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO CCn1ccc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000616786389 348877932 /nfs/dbraw/zinc/87/79/32/348877932.db2.gz XZUXJWHQMUDBEF-UHFFFAOYSA-N 1 0 287.363 3.091 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCSC1 ZINC000619198186 349220552 /nfs/dbraw/zinc/22/05/52/349220552.db2.gz FLVLCRWOPWBICE-YRBHFNIASA-N 1 0 292.404 3.341 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000271460371 191151338 /nfs/dbraw/zinc/15/13/38/191151338.db2.gz HNBFBOYVPPQJPG-AKJDGMEZSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000153796351 188104351 /nfs/dbraw/zinc/10/43/51/188104351.db2.gz ADJXVHYGPFWCKB-VNQPRFMTSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000295168174 199384722 /nfs/dbraw/zinc/38/47/22/199384722.db2.gz TXKYACNCISUTQF-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000155819004 188230109 /nfs/dbraw/zinc/23/01/09/188230109.db2.gz TZSGBTQSJNZVBT-RYUDHWBXSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000158547321 188381444 /nfs/dbraw/zinc/38/14/44/188381444.db2.gz FXQBXGJTFKBYTL-HNNXBMFYSA-N 1 0 273.336 3.174 20 5 CGBDRO CC(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158741801 188391942 /nfs/dbraw/zinc/39/19/42/188391942.db2.gz CCMMJGQSVCXQFB-UHFFFAOYSA-N 1 0 274.267 3.036 20 5 CGBDRO C[C@H]([NH2+]CCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173364945 188851602 /nfs/dbraw/zinc/85/16/02/188851602.db2.gz UGULZNKJAIAXQI-NSHDSACASA-N 1 0 266.341 3.061 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414195037 235361021 /nfs/dbraw/zinc/36/10/21/235361021.db2.gz IYYPBZQNTJHEHK-KGLIPLIRSA-N 1 0 294.395 3.178 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126575624 138385939 /nfs/dbraw/zinc/38/59/39/138385939.db2.gz FBJJFIAYKPKAQW-VIFPVBQESA-N 1 0 274.411 3.230 20 5 CGBDRO CCCCOCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293941470 198837435 /nfs/dbraw/zinc/83/74/35/198837435.db2.gz YRSGHPOSEPECHP-GFCCVEGCSA-N 1 0 295.383 3.034 20 5 CGBDRO Cc1cccnc1CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000294728850 199156127 /nfs/dbraw/zinc/15/61/27/199156127.db2.gz DDZFTWBWIZPJFA-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297227337 200120177 /nfs/dbraw/zinc/12/01/77/200120177.db2.gz HQPCKAHACBTHLL-IUODEOHRSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000297293585 200137572 /nfs/dbraw/zinc/13/75/72/200137572.db2.gz LYTHLNCPCPILOM-CHWSQXEVSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1c([C@H](C)[NH2+]Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000178475572 189119359 /nfs/dbraw/zinc/11/93/59/189119359.db2.gz ZIYQPWOBQNXZLF-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO Cc1c(C[N@@H+]2CCCCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000342069205 216208885 /nfs/dbraw/zinc/20/88/85/216208885.db2.gz QTNZXIJAMCYWPH-HNNXBMFYSA-N 1 0 292.379 3.030 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000342296014 216297894 /nfs/dbraw/zinc/29/78/94/216297894.db2.gz GQNGABDJIIWYLY-TXEJJXNPSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000181500485 189298506 /nfs/dbraw/zinc/29/85/06/189298506.db2.gz XLQRXRNXVMPAKD-OAHLLOKOSA-N 1 0 289.335 3.024 20 5 CGBDRO CC[C@H]([NH2+]CCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181532525 189299547 /nfs/dbraw/zinc/29/95/47/189299547.db2.gz ITWCCYVHBZQSGL-AWEZNQCLSA-N 1 0 280.368 3.451 20 5 CGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1cccc(F)c1[N+](=O)[O-] ZINC000301419088 201002887 /nfs/dbraw/zinc/00/28/87/201002887.db2.gz BQBHALVWASJQOB-LBPRGKRZSA-N 1 0 295.358 3.045 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC1CC1 ZINC000449149657 239206620 /nfs/dbraw/zinc/20/66/20/239206620.db2.gz OGCNMINAELVKPD-VXGBXAGGSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C2CC2)CC1 ZINC000449201864 239239858 /nfs/dbraw/zinc/23/98/58/239239858.db2.gz JFQQMIIENUOWON-GFCCVEGCSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000449252119 239270506 /nfs/dbraw/zinc/27/05/06/239270506.db2.gz QGBAORUGOUYRKC-DVOMOZLQSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(F)F ZINC000449353769 239341044 /nfs/dbraw/zinc/34/10/44/239341044.db2.gz GNAUYZVLSBTIRG-SNVBAGLBSA-N 1 0 272.295 3.161 20 5 CGBDRO CCC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CCCC1 ZINC000451275371 240264795 /nfs/dbraw/zinc/26/47/95/240264795.db2.gz MGOBPBFYPWWUQC-UHFFFAOYSA-N 1 0 278.352 3.286 20 5 CGBDRO COCC[C@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546330 240321458 /nfs/dbraw/zinc/32/14/58/240321458.db2.gz IVKSXCMJNNHSQM-DZGCQCFKSA-N 1 0 292.379 3.199 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451490881 240312473 /nfs/dbraw/zinc/31/24/73/240312473.db2.gz OXSDXXDXZKZTKA-UKRRQHHQSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CC1([NH+](C)C)CCC1 ZINC000275394789 193019568 /nfs/dbraw/zinc/01/95/68/193019568.db2.gz HEGOXJMGRSOSGQ-CYBMUJFWSA-N 1 0 291.395 3.072 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCC=CO2)c1 ZINC000275866198 193150367 /nfs/dbraw/zinc/15/03/67/193150367.db2.gz UTNSINJDROOVBD-LBPRGKRZSA-N 1 0 282.727 3.031 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000121065990 370826694 /nfs/dbraw/zinc/82/66/94/370826694.db2.gz VQTPDBAITFEQJX-LLVKDONJSA-N 1 0 286.784 3.186 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460353621 242265750 /nfs/dbraw/zinc/26/57/50/242265750.db2.gz GWAKKAGBNGALCX-WFASDCNBSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396396 243192040 /nfs/dbraw/zinc/19/20/40/243192040.db2.gz FVQDMMSYBGVCCL-DOMZBBRYSA-N 1 0 278.352 3.094 20 5 CGBDRO CCC[C@@H]([NH2+]C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000020089671 368799317 /nfs/dbraw/zinc/79/93/17/368799317.db2.gz GYWFJLLTIBONFO-AVVWSFFYSA-N 1 0 292.379 3.329 20 5 CGBDRO COc1ccccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000034995474 368987920 /nfs/dbraw/zinc/98/79/20/368987920.db2.gz VQMGHHZSDGWSJM-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CC[C@H]([NH2+]CCCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037010552 369051318 /nfs/dbraw/zinc/05/13/18/369051318.db2.gz ZTHFHPCBFUXNPB-INIZCTEOSA-N 1 0 292.379 3.452 20 5 CGBDRO CC1CC[NH+](CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000040444309 369156227 /nfs/dbraw/zinc/15/62/27/369156227.db2.gz JOBTUEKJRQKVHO-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000037999310 369137267 /nfs/dbraw/zinc/13/72/67/369137267.db2.gz RHLOKBOIYZIZNR-CYBMUJFWSA-N 1 0 291.395 3.437 20 5 CGBDRO CCC[C@H]([NH2+]Cc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000038011285 369141025 /nfs/dbraw/zinc/14/10/25/369141025.db2.gz NHOYGUAQECPWGS-HNNXBMFYSA-N 1 0 288.351 3.257 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042814396 369233371 /nfs/dbraw/zinc/23/33/71/369233371.db2.gz ZSPMSZGSXAFNJN-JSGCOSHPSA-N 1 0 278.352 3.123 20 5 CGBDRO CC(C)CC[C@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000493533213 244181568 /nfs/dbraw/zinc/18/15/68/244181568.db2.gz WTPAPIJYGPENTL-CHWSQXEVSA-N 1 0 294.399 3.023 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000494237342 244274058 /nfs/dbraw/zinc/27/40/58/244274058.db2.gz KHBOXLDHIJDQAS-YWPYICTPSA-N 1 0 278.352 3.121 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045657112 369282674 /nfs/dbraw/zinc/28/26/74/369282674.db2.gz PHNOKYHSRKJSDZ-SWLSCSKDSA-N 1 0 280.368 3.308 20 5 CGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000050015530 369426691 /nfs/dbraw/zinc/42/66/91/369426691.db2.gz OLQQBWLOKDRJMT-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCOc2ccccc2)cs1 ZINC000051634359 369450278 /nfs/dbraw/zinc/45/02/78/369450278.db2.gz KINJFWRIQSFSIM-UHFFFAOYSA-N 1 0 292.360 3.215 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577732 370954699 /nfs/dbraw/zinc/95/46/99/370954699.db2.gz IUVKOVNIDQHDKZ-GXTWGEPZSA-N 1 0 293.411 3.284 20 5 CGBDRO CC1(C)C([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000092815462 370103231 /nfs/dbraw/zinc/10/32/31/370103231.db2.gz CZIPVYUGQZFQIU-UHFFFAOYSA-N 1 0 254.355 3.181 20 5 CGBDRO Cc1cc(NCc2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000231868433 189816127 /nfs/dbraw/zinc/81/61/27/189816127.db2.gz OTSPAQCUJHQLNK-UHFFFAOYSA-N 1 0 257.293 3.219 20 5 CGBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000116274938 370555771 /nfs/dbraw/zinc/55/57/71/370555771.db2.gz ICLCLYGPTKIABP-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+](CC1CC1)CC1CC1 ZINC000115562976 370534562 /nfs/dbraw/zinc/53/45/62/370534562.db2.gz GIHZTDKAMPISFW-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000117393226 370590196 /nfs/dbraw/zinc/59/01/96/370590196.db2.gz VPWCRAXUWCXDKG-GHMZBOCLSA-N 1 0 286.422 3.420 20 5 CGBDRO C[C@@H]1[C@H](C)SCCN1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000132538021 371181371 /nfs/dbraw/zinc/18/13/71/371181371.db2.gz DIMXVYRTBANLND-ZJUUUORDSA-N 1 0 284.356 3.060 20 5 CGBDRO CCC[C@H]([NH2+]CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000286847284 371561312 /nfs/dbraw/zinc/56/13/12/371561312.db2.gz ADRMTKGFUAIAKL-INIZCTEOSA-N 1 0 290.363 3.372 20 5 CGBDRO CSCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153222801 371756149 /nfs/dbraw/zinc/75/61/49/371756149.db2.gz JLKPWGDRQGTBOG-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCOC(C)(C)C1 ZINC000289645196 371782467 /nfs/dbraw/zinc/78/24/67/371782467.db2.gz DITYHUNTXMBLRP-AWEZNQCLSA-N 1 0 292.379 3.374 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426461828 372160017 /nfs/dbraw/zinc/16/00/17/372160017.db2.gz POGZUNDDBWBXIW-SWLSCSKDSA-N 1 0 260.337 3.278 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](C)SC)c1cccc([N+](=O)[O-])c1 ZINC000163581536 372480449 /nfs/dbraw/zinc/48/04/49/372480449.db2.gz PNGAOMMTHVRIQD-GXFFZTMASA-N 1 0 268.382 3.387 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1CF ZINC000293889688 372512805 /nfs/dbraw/zinc/51/28/05/372512805.db2.gz DPVZUVIVWOPDOT-VUUYWXRKSA-N 1 0 264.300 3.042 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432321981 372558174 /nfs/dbraw/zinc/55/81/74/372558174.db2.gz JQKIRIVSPAAMEI-NXEZZACHSA-N 1 0 295.770 3.285 20 5 CGBDRO COC1(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000294112357 372584814 /nfs/dbraw/zinc/58/48/14/372584814.db2.gz MZDXPFLOHNJKEF-UHFFFAOYSA-N 1 0 292.379 3.028 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000165116479 372544105 /nfs/dbraw/zinc/54/41/05/372544105.db2.gz COBGSGOEZPBXHF-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433800074 372633958 /nfs/dbraw/zinc/63/39/58/372633958.db2.gz BCFGNJPUFKWWSK-CYBMUJFWSA-N 1 0 275.352 3.024 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000439659273 372980774 /nfs/dbraw/zinc/98/07/74/372980774.db2.gz SFAUXOTZJXLXMK-STQMWFEESA-N 1 0 283.759 3.143 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344749819 217299533 /nfs/dbraw/zinc/29/95/33/217299533.db2.gz BQQWTSOLQXSZME-YVARQFDVSA-N 1 0 297.358 3.224 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000344769122 217305488 /nfs/dbraw/zinc/30/54/88/217305488.db2.gz HUFIDZXLHIFKPQ-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO CS[C@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344807471 217318125 /nfs/dbraw/zinc/31/81/25/217318125.db2.gz HFBXQMXJLKGTDO-SEVUFMINSA-N 1 0 280.393 3.339 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000296667714 373215281 /nfs/dbraw/zinc/21/52/81/373215281.db2.gz KLYFUOLBYVKTDA-HNNXBMFYSA-N 1 0 298.342 3.386 20 5 CGBDRO COCC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296552618 373173684 /nfs/dbraw/zinc/17/36/84/373173684.db2.gz UQSVHBMYSLHJDG-OPFPJEHXSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000300413844 373631051 /nfs/dbraw/zinc/63/10/51/373631051.db2.gz GUSKUJRWSGINMV-XHSDSOJGSA-N 1 0 290.363 3.203 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000300675983 373637561 /nfs/dbraw/zinc/63/75/61/373637561.db2.gz WCTIYWIIEGBHGO-QWRGUYRKSA-N 1 0 286.422 3.420 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000302745646 373951032 /nfs/dbraw/zinc/95/10/32/373951032.db2.gz PQLVCPFOQCEQRT-TXEJJXNPSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)SCC[NH+](C)C ZINC000180077093 373963931 /nfs/dbraw/zinc/96/39/31/373963931.db2.gz CEZDQLCPKUEVBI-LLVKDONJSA-N 1 0 268.382 3.259 20 5 CGBDRO CC[NH+]1CCC(Nc2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302838120 373981404 /nfs/dbraw/zinc/98/14/04/373981404.db2.gz YGTZXXNRQFUUGY-UHFFFAOYSA-N 1 0 297.786 3.453 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304458743 374054353 /nfs/dbraw/zinc/05/43/53/374054353.db2.gz VCMSRGCIECCXEB-ZOWXZIJZSA-N 1 0 280.368 3.043 20 5 CGBDRO CCSCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310248513 374212130 /nfs/dbraw/zinc/21/21/30/374212130.db2.gz VQCMLAQHQPAVNV-UHFFFAOYSA-N 1 0 274.773 3.091 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000311656568 374252045 /nfs/dbraw/zinc/25/20/45/374252045.db2.gz JAQRJUFCAVYGDX-MMMKDXCPSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311706018 374253543 /nfs/dbraw/zinc/25/35/43/374253543.db2.gz MVJNOEFLHNXFPU-PHIMTYICSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2=CCCC2)c(F)c1 ZINC000311884306 374259440 /nfs/dbraw/zinc/25/94/40/374259440.db2.gz CASIJSSPSFJMRM-UHFFFAOYSA-N 1 0 264.300 3.324 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000312624321 374287459 /nfs/dbraw/zinc/28/74/59/374287459.db2.gz VIVDORFYJCONQO-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000314288950 374315291 /nfs/dbraw/zinc/31/52/91/374315291.db2.gz KLKZSZWAETVZMK-GFCCVEGCSA-N 1 0 289.335 3.288 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183378695 374407774 /nfs/dbraw/zinc/40/77/74/374407774.db2.gz CREPCHSQIQMPRA-CQSZACIVSA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](OCC(C)C)C1 ZINC000183392883 374409668 /nfs/dbraw/zinc/40/96/68/374409668.db2.gz DGVBPSTVCRUQSM-INIZCTEOSA-N 1 0 292.379 3.150 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185195887 374609643 /nfs/dbraw/zinc/60/96/43/374609643.db2.gz COHRHJPCVWIVKF-HUUCEWRRSA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@H]1CCCO1)C1CC1 ZINC000189731869 375441390 /nfs/dbraw/zinc/44/13/90/375441390.db2.gz ZUWNRSLWWRNYLL-OAHLLOKOSA-N 1 0 290.363 3.128 20 5 CGBDRO CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000191638677 375646328 /nfs/dbraw/zinc/64/63/28/375646328.db2.gz YKPPTWMPOHSKLP-AWEZNQCLSA-N 1 0 298.408 3.029 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1OCC[NH+]1CCCCC1 ZINC000192782526 375789703 /nfs/dbraw/zinc/78/97/03/375789703.db2.gz ODVWFBNSFAHGOA-UHFFFAOYSA-N 1 0 284.743 3.113 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537092674 376147493 /nfs/dbraw/zinc/14/74/93/376147493.db2.gz DVUCKKKNGDNTQA-QWHCGFSZSA-N 1 0 280.368 3.451 20 5 CGBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@H]1CCCCO1 ZINC000338363811 376351041 /nfs/dbraw/zinc/35/10/41/376351041.db2.gz YXEAOMFLFWTUHL-MRXNPFEDSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000227888489 376417549 /nfs/dbraw/zinc/41/75/49/376417549.db2.gz MRVILEBUJKPNQF-SNVBAGLBSA-N 1 0 299.321 3.017 20 5 CGBDRO C[NH+]1CCC(C)(CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000231677405 376564459 /nfs/dbraw/zinc/56/44/59/376564459.db2.gz VQRGSLNLPHSBCA-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000542701870 376570414 /nfs/dbraw/zinc/57/04/14/376570414.db2.gz QQXRNIDQMHTOAK-NSHDSACASA-N 1 0 250.342 3.381 20 5 CGBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000339001439 376621228 /nfs/dbraw/zinc/62/12/28/376621228.db2.gz HQPBHJSCCMYJHM-QWHCGFSZSA-N 1 0 277.368 3.270 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000340316280 376996865 /nfs/dbraw/zinc/99/68/65/376996865.db2.gz RBEANYSGVAQCKV-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000562603573 377336592 /nfs/dbraw/zinc/33/65/92/377336592.db2.gz RPSYFWPPNXCQMS-ZNMIVQPWSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000341133892 377412430 /nfs/dbraw/zinc/41/24/30/377412430.db2.gz XBOZAMYGKVYISR-TXEJJXNPSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000515249306 249206349 /nfs/dbraw/zinc/20/63/49/249206349.db2.gz HDYDRAXEYFQERE-SNVBAGLBSA-N 1 0 273.336 3.007 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@H]1F ZINC000573741495 377568783 /nfs/dbraw/zinc/56/87/83/377568783.db2.gz JCKHJSZDGXWNOR-UPJWGTAASA-N 1 0 264.300 3.062 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(F)(F)[C@H](C)C1 ZINC000518152959 249276024 /nfs/dbraw/zinc/27/60/24/249276024.db2.gz SQTZCQWFPJCSCL-LLVKDONJSA-N 1 0 284.306 3.380 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672635 377647856 /nfs/dbraw/zinc/64/78/56/377647856.db2.gz BRSYKBPJMGZITI-NEPJUHHUSA-N 1 0 295.770 3.287 20 5 CGBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255002844 377723294 /nfs/dbraw/zinc/72/32/94/377723294.db2.gz MUANCIBOSZIRRM-XHSUHYBKSA-N 1 0 292.404 3.434 20 5 CGBDRO Cc1nc(F)ccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278275961 193894131 /nfs/dbraw/zinc/89/41/31/193894131.db2.gz ALNPFOQDLWLKBN-SNVBAGLBSA-N 1 0 289.310 3.288 20 5 CGBDRO CC1(C)CC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583642181 378338575 /nfs/dbraw/zinc/33/85/75/378338575.db2.gz RGNQMWQINHXATM-STQMWFEESA-N 1 0 292.383 3.053 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCSC1)C1CC1 ZINC000271921769 378517550 /nfs/dbraw/zinc/51/75/50/378517550.db2.gz DYMYNNQAVXLWRR-KGLIPLIRSA-N 1 0 292.404 3.011 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348140291 378810258 /nfs/dbraw/zinc/81/02/58/378810258.db2.gz APNKKJWLWHJEQF-PWSUYJOCSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000277223772 379104399 /nfs/dbraw/zinc/10/43/99/379104399.db2.gz LPBZVFCVXRXLKX-UKRRQHHQSA-N 1 0 294.420 3.257 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000374007488 379362593 /nfs/dbraw/zinc/36/25/93/379362593.db2.gz HSAXYYVXMKQILR-ZDUSSCGKSA-N 1 0 272.304 3.177 20 5 CGBDRO Cn1ccc(C[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279132036 379411876 /nfs/dbraw/zinc/41/18/76/379411876.db2.gz RBGPBOVIICXNEV-INIZCTEOSA-N 1 0 299.374 3.446 20 5 CGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000374343488 379427037 /nfs/dbraw/zinc/42/70/37/379427037.db2.gz YHHOFABLQHJQKQ-INIZCTEOSA-N 1 0 283.331 3.193 20 5 CGBDRO COC1CCC(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000350221432 379529512 /nfs/dbraw/zinc/52/95/12/379529512.db2.gz HLNMMLFNWPWHAL-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC3)CC2)cc1F ZINC000376690512 379593159 /nfs/dbraw/zinc/59/31/59/379593159.db2.gz QEALULXWONPYAC-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000280295598 379668055 /nfs/dbraw/zinc/66/80/55/379668055.db2.gz VDBAZYCYTVZJQV-QWHCGFSZSA-N 1 0 280.368 3.043 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC000352540114 379849558 /nfs/dbraw/zinc/84/95/58/379849558.db2.gz HFKMKECFIIFNQS-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000378778725 379857118 /nfs/dbraw/zinc/85/71/18/379857118.db2.gz NPLMBKRTWQUOFQ-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO COc1cc(C[N@H+](C)C(C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000352425956 379811849 /nfs/dbraw/zinc/81/18/49/379811849.db2.gz PAKQNZYKHMFGMH-UHFFFAOYSA-N 1 0 290.363 3.224 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779512 379954408 /nfs/dbraw/zinc/95/44/08/379954408.db2.gz PPLKPCUFPOSPPY-NEPJUHHUSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@H]([NH2+][C@H]1CSC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283165144 380039977 /nfs/dbraw/zinc/03/99/77/380039977.db2.gz IUGYOQDEANQLFC-CABZTGNLSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000283165142 380040602 /nfs/dbraw/zinc/04/06/02/380040602.db2.gz IUGYOQDEANQLFC-BXKDBHETSA-N 1 0 266.366 3.139 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414498966 380274310 /nfs/dbraw/zinc/27/43/10/380274310.db2.gz NUULINKWSQRUHL-HPJOQNQSSA-N 1 0 292.404 3.482 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417378897 380615051 /nfs/dbraw/zinc/61/50/51/380615051.db2.gz TUQCSOQWTCTEDY-ZFWWWQNUSA-N 1 0 294.395 3.177 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@H+](CC2CC2)C2CCC2)cs1 ZINC000355674221 380747398 /nfs/dbraw/zinc/74/73/98/380747398.db2.gz CJQGBEVFYMOWDA-UHFFFAOYSA-N 1 0 266.366 3.421 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000355674101 380747470 /nfs/dbraw/zinc/74/74/70/380747470.db2.gz BKTZEBTXFMFGCJ-CQSZACIVSA-N 1 0 294.395 3.180 20 5 CGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000355769010 380772821 /nfs/dbraw/zinc/77/28/21/380772821.db2.gz QIQKUPQQAASBKH-BPFGOOJPSA-N 1 0 290.363 3.013 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419372688 380819941 /nfs/dbraw/zinc/81/99/41/380819941.db2.gz MUHLATNPKLUTDN-SRVKXCTJSA-N 1 0 278.352 3.080 20 5 CGBDRO CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000356833965 380891524 /nfs/dbraw/zinc/89/15/24/380891524.db2.gz BQMIQNUSGVNXTP-GFCCVEGCSA-N 1 0 285.347 3.403 20 5 CGBDRO COC1CCC([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000360309490 381511361 /nfs/dbraw/zinc/51/13/61/381511361.db2.gz UYDNKKRSKGIJKD-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399371 381731057 /nfs/dbraw/zinc/73/10/57/381731057.db2.gz DSXDXNSQVUZDNO-HUUCEWRRSA-N 1 0 278.352 3.062 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414221571 533008329 /nfs/dbraw/zinc/00/83/29/533008329.db2.gz DIYYRLWAMULIEM-HSMVNMDESA-N 1 0 292.379 3.449 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000336816582 285115726 /nfs/dbraw/zinc/11/57/26/285115726.db2.gz MOIXNKSBDHICDE-HGMXIMQMSA-N 1 0 260.337 3.263 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540151658 288646833 /nfs/dbraw/zinc/64/68/33/288646833.db2.gz UCTGSGYSWUAGQF-WDEREUQCSA-N 1 0 268.382 3.305 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414195035 533306338 /nfs/dbraw/zinc/30/63/38/533306338.db2.gz IYYPBZQNTJHEHK-KBPBESRZSA-N 1 0 294.395 3.178 20 5 CGBDRO C[N@H+](CCc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000055022754 392094175 /nfs/dbraw/zinc/09/41/75/392094175.db2.gz LQOHFKCGTGKCML-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CC)COC)c1cccc([N+](=O)[O-])c1 ZINC000079737512 392221861 /nfs/dbraw/zinc/22/18/61/392221861.db2.gz RSRHEZXDTURGHN-HIFRSBDPSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000511520678 392837872 /nfs/dbraw/zinc/83/78/72/392837872.db2.gz FYXTYUFQQDTCRK-GPAKFWEMSA-N 1 0 260.337 3.482 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000459780699 392955166 /nfs/dbraw/zinc/95/51/66/392955166.db2.gz RMJIRZHVIMXYRJ-GLQYFDAESA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936598 393074245 /nfs/dbraw/zinc/07/42/45/393074245.db2.gz UAXAGTAOXXHVSE-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348561772 393124520 /nfs/dbraw/zinc/12/45/20/393124520.db2.gz YADMAZMRCZHOKQ-GDBMZVCRSA-N 1 0 292.379 3.063 20 5 CGBDRO CCC[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CCCCC1 ZINC000350686866 393161257 /nfs/dbraw/zinc/16/12/57/393161257.db2.gz ZOGLBYZPQIBYDC-UHFFFAOYSA-N 1 0 294.399 3.084 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000355282559 393289984 /nfs/dbraw/zinc/28/99/84/393289984.db2.gz YYPKSCFFEUXJHX-JSGCOSHPSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000471072740 393274482 /nfs/dbraw/zinc/27/44/82/393274482.db2.gz PIOGSSIYGWJQDK-UHFFFAOYSA-N 1 0 296.367 3.103 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000356345565 393423912 /nfs/dbraw/zinc/42/39/12/393423912.db2.gz XOXGZDXJAMUOAR-CABCVRRESA-N 1 0 280.368 3.451 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000430241459 393548219 /nfs/dbraw/zinc/54/82/19/393548219.db2.gz VYPOTFPNKWEGOS-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC(OC(C)(C)C)C1 ZINC000360815589 393593861 /nfs/dbraw/zinc/59/38/61/393593861.db2.gz XWLATUOQHVNQJY-UHFFFAOYSA-N 1 0 292.379 3.373 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489433925 393597211 /nfs/dbraw/zinc/59/72/11/393597211.db2.gz BWCJLQZIGKBSFN-LBPRGKRZSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421023928 393581192 /nfs/dbraw/zinc/58/11/92/393581192.db2.gz WUMZUVXAYKNAAQ-KGLIPLIRSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449531333 393885108 /nfs/dbraw/zinc/88/51/08/393885108.db2.gz BLZQGVYAGOVUBU-OCCSQVGLSA-N 1 0 278.377 3.277 20 5 CGBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787353 393861333 /nfs/dbraw/zinc/86/13/33/393861333.db2.gz WHAGEWUEVIRQFP-RYUDHWBXSA-N 1 0 262.353 3.381 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073051 394050485 /nfs/dbraw/zinc/05/04/85/394050485.db2.gz ALLVMIFVLGNNTM-KGLIPLIRSA-N 1 0 292.379 3.404 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)CC ZINC000453390785 394228855 /nfs/dbraw/zinc/22/88/55/394228855.db2.gz YKXGAIMNXRIWRH-PMPSAXMXSA-N 1 0 292.379 3.111 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453428241 394243944 /nfs/dbraw/zinc/24/39/44/394243944.db2.gz PQBGOULDWNCFMV-STQMWFEESA-N 1 0 292.379 3.451 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449755736 286211164 /nfs/dbraw/zinc/21/11/64/286211164.db2.gz OBXFQVATLGXLQK-XNRPHZJLSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000062726127 286960810 /nfs/dbraw/zinc/96/08/10/286960810.db2.gz KLKKPASBNXBIMK-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000070306990 286988037 /nfs/dbraw/zinc/98/80/37/286988037.db2.gz SKFLTLXRCOHMIR-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076912997 287036594 /nfs/dbraw/zinc/03/65/94/287036594.db2.gz HBOILRCLPUMGOE-LBPRGKRZSA-N 1 0 274.364 3.400 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC(C1CC1)C1CC1 ZINC000088455628 287086727 /nfs/dbraw/zinc/08/67/27/287086727.db2.gz RKBVJTQWFXIPEF-UHFFFAOYSA-N 1 0 260.337 3.121 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000070357866 165058500 /nfs/dbraw/zinc/05/85/00/165058500.db2.gz CLKPACZSTHOZBV-NJZAAPMLSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cc(F)cc(F)c2)c1 ZINC000073649853 165081736 /nfs/dbraw/zinc/08/17/36/165081736.db2.gz GSNCNNGCUKHRJL-UHFFFAOYSA-N 1 0 278.258 3.163 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3cccnc32)cc1 ZINC000079694964 165149343 /nfs/dbraw/zinc/14/93/43/165149343.db2.gz XQDWUSAKODFHFY-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081707776 165165158 /nfs/dbraw/zinc/16/51/58/165165158.db2.gz DWVPXEVYANDDOW-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[C@H]([NH2+]CCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000284304964 196026527 /nfs/dbraw/zinc/02/65/27/196026527.db2.gz JBJIUCGISLZCLL-HNNXBMFYSA-N 1 0 292.379 3.331 20 5 CGBDRO C[C@@H]([NH2+]CCCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020191311 171057793 /nfs/dbraw/zinc/05/77/93/171057793.db2.gz KEMDVRNGCUGUGS-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO CC(C)OCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526270 171239235 /nfs/dbraw/zinc/23/92/35/171239235.db2.gz KOVIOYVYFXUBMN-LBPRGKRZSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000021506208 171308231 /nfs/dbraw/zinc/30/82/31/171308231.db2.gz JICQGBFEGLSJRK-CYBMUJFWSA-N 1 0 277.368 3.271 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284995108 196173565 /nfs/dbraw/zinc/17/35/65/196173565.db2.gz GPJJGSUJNPIECP-NRUUGDAUSA-N 1 0 263.341 3.016 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000285398312 196272907 /nfs/dbraw/zinc/27/29/07/196272907.db2.gz XARZUYMWTOEOCO-MRXNPFEDSA-N 1 0 298.342 3.468 20 5 CGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285420330 196278741 /nfs/dbraw/zinc/27/87/41/196278741.db2.gz GPNHZWNZSHICTA-MNOVXSKESA-N 1 0 298.770 3.010 20 5 CGBDRO CC(C)OCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285435300 196283178 /nfs/dbraw/zinc/28/31/78/196283178.db2.gz YTVCETFCCZWUHF-LBPRGKRZSA-N 1 0 295.383 3.033 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC[NH+](C(C)C)C(C)C ZINC000037371670 173161239 /nfs/dbraw/zinc/16/12/39/173161239.db2.gz ALOVLWKQVXYREH-UHFFFAOYSA-N 1 0 279.384 3.434 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361763484 261389395 /nfs/dbraw/zinc/38/93/95/261389395.db2.gz DWPFNWVHILNXGF-JSGCOSHPSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000044572283 270037402 /nfs/dbraw/zinc/03/74/02/270037402.db2.gz VFBOGINCSOUUFC-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000158063109 270052589 /nfs/dbraw/zinc/05/25/89/270052589.db2.gz GDRPEVPZJVQPLZ-SWLSCSKDSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316091056 270092757 /nfs/dbraw/zinc/09/27/57/270092757.db2.gz BKCHSZRHYBDVBQ-JKSUJKDBSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@](C)(CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000322611072 270093966 /nfs/dbraw/zinc/09/39/66/270093966.db2.gz KVKGHBZRPZVNFK-HUUCEWRRSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000322867789 270094279 /nfs/dbraw/zinc/09/42/79/270094279.db2.gz VKRCWDCHXISOIO-OAHLLOKOSA-N 1 0 262.353 3.306 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015060 270103907 /nfs/dbraw/zinc/10/39/07/270103907.db2.gz VMSOFBZPWWDYDV-GXFFZTMASA-N 1 0 260.337 3.218 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531984409 270212553 /nfs/dbraw/zinc/21/25/53/270212553.db2.gz LGYLYQZJRNOTQF-IUODEOHRSA-N 1 0 280.368 3.225 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000532522493 270216784 /nfs/dbraw/zinc/21/67/84/270216784.db2.gz WTIJSMNPWOYJJR-BLLLJJGKSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332131691 274553418 /nfs/dbraw/zinc/55/34/18/274553418.db2.gz DYWVIJPUTAGCIW-CMPLNLGQSA-N 1 0 288.351 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000048436730 275039994 /nfs/dbraw/zinc/03/99/94/275039994.db2.gz BFQVYVYVOWYWOA-MRXNPFEDSA-N 1 0 282.343 3.242 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255203243 287860581 /nfs/dbraw/zinc/86/05/81/287860581.db2.gz SUOMYYVXBDLBSG-FNOHHLHBSA-N 1 0 292.379 3.401 20 5 CGBDRO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236445 276053735 /nfs/dbraw/zinc/05/37/35/276053735.db2.gz MRJVRTVCBLJBLY-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000301951767 276214232 /nfs/dbraw/zinc/21/42/32/276214232.db2.gz HTBSOVYVXRWFCD-DZGCQCFKSA-N 1 0 291.395 3.070 20 5 CGBDRO CC[C@@H](COC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241104 276428097 /nfs/dbraw/zinc/42/80/97/276428097.db2.gz ODXLMOWAMOQODS-NHYWBVRUSA-N 1 0 292.379 3.332 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000068838496 276866874 /nfs/dbraw/zinc/86/68/74/276866874.db2.gz IOTJAHVKZPKXAB-CYBMUJFWSA-N 1 0 291.376 3.371 20 5 CGBDRO CO[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447533608 277637309 /nfs/dbraw/zinc/63/73/09/277637309.db2.gz RWFCJJVWIALNTH-HOTGVXAUSA-N 1 0 292.379 3.233 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453332611 277650077 /nfs/dbraw/zinc/65/00/77/277650077.db2.gz VGHBHHCOQSDNSN-ARFHVFGLSA-N 1 0 290.363 3.129 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000227790470 277690971 /nfs/dbraw/zinc/69/09/71/277690971.db2.gz ZUGKZFYCKZJULI-LEWSCRJBSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)COC(C)C)cc1[N+](=O)[O-] ZINC000396407036 288013342 /nfs/dbraw/zinc/01/33/42/288013342.db2.gz DRKCFIQHQJPYCD-UHFFFAOYSA-N 1 0 280.368 3.196 20 5 CGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000511713402 278266712 /nfs/dbraw/zinc/26/67/12/278266712.db2.gz QEIUENGSZMUEEF-MCIONIFRSA-N 1 0 291.395 3.373 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000348271348 278271473 /nfs/dbraw/zinc/27/14/73/278271473.db2.gz IKNHKISLNDBHJM-XQQFMLRXSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000397934922 288035421 /nfs/dbraw/zinc/03/54/21/288035421.db2.gz RLUULMUJNHSGNN-MDZLAQPJSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000398030022 288037618 /nfs/dbraw/zinc/03/76/18/288037618.db2.gz JEYQWGWXOXXWJV-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000143809499 278377186 /nfs/dbraw/zinc/37/71/86/278377186.db2.gz GITHPQACKTVJDJ-DOMZBBRYSA-N 1 0 298.342 3.249 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)O ZINC000295071825 288082448 /nfs/dbraw/zinc/08/24/48/288082448.db2.gz SDJOYOUHVWFHNK-RISCZKNCSA-N 1 0 280.368 3.103 20 5 CGBDRO CC[C@H]([NH2+][C@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290119010 288085129 /nfs/dbraw/zinc/08/51/29/288085129.db2.gz JEDCGOQOSGUXLY-JKSUJKDBSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157873989 279516184 /nfs/dbraw/zinc/51/61/84/279516184.db2.gz AZAQYTMHWZZDFY-PEYYIBSZSA-N 1 0 290.363 3.203 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(F)CC1 ZINC000526969671 288154461 /nfs/dbraw/zinc/15/44/61/288154461.db2.gz KKVCCXOMAUWABH-UHFFFAOYSA-N 1 0 266.316 3.307 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000245526796 281020094 /nfs/dbraw/zinc/02/00/94/281020094.db2.gz PLCOJWHFAJPHQK-CZUORRHYSA-N 1 0 290.363 3.077 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153871 288647360 /nfs/dbraw/zinc/64/73/60/288647360.db2.gz LCPMJRWIILEPKJ-UKRRQHHQSA-N 1 0 262.353 3.306 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000550414455 289076548 /nfs/dbraw/zinc/07/65/48/289076548.db2.gz MYWUFBGNNDCEFR-CQSZACIVSA-N 1 0 290.363 3.096 20 5 CGBDRO CCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000555615575 289352842 /nfs/dbraw/zinc/35/28/42/289352842.db2.gz FMACFXVODCYMFJ-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H](C)CC ZINC000556379652 289388784 /nfs/dbraw/zinc/38/87/84/289388784.db2.gz NEHRLZIOPWVSEZ-GFCCVEGCSA-N 1 0 280.368 3.471 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388233832 327857143 /nfs/dbraw/zinc/85/71/43/327857143.db2.gz NONQNNGGHDOMEV-ZETOZRRWSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1cnc(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])c(C)c1 ZINC000566166590 322107798 /nfs/dbraw/zinc/10/77/98/322107798.db2.gz BFDKIZJJPVBNMD-UHFFFAOYSA-N 1 0 299.374 3.281 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572466593 322338979 /nfs/dbraw/zinc/33/89/79/322338979.db2.gz BDSDVLWIRCGWKU-LLVKDONJSA-N 1 0 288.351 3.093 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000572891798 322360087 /nfs/dbraw/zinc/36/00/87/322360087.db2.gz SWOKEHYQMUMSFL-CQSZACIVSA-N 1 0 293.411 3.113 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000394034662 329095529 /nfs/dbraw/zinc/09/55/29/329095529.db2.gz NKIOJKGUDXDLQV-ZBFHGGJFSA-N 1 0 294.395 3.290 20 5 CGBDRO Cc1cncc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193055985 335293482 /nfs/dbraw/zinc/29/34/82/335293482.db2.gz RIBBHCWKJOLFCJ-KRWDZBQOSA-N 1 0 297.358 3.465 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000581278272 336035709 /nfs/dbraw/zinc/03/57/09/336035709.db2.gz PINQNDLOWLINOO-CYBMUJFWSA-N 1 0 282.409 3.477 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CC(F)(F)C1 ZINC000581736175 336140362 /nfs/dbraw/zinc/14/03/62/336140362.db2.gz NNMXRUQFIYHFTL-LBPRGKRZSA-N 1 0 282.290 3.217 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(F)CCC1 ZINC000449330297 534254498 /nfs/dbraw/zinc/25/44/98/534254498.db2.gz KYZGOBRCPXPXDZ-LBPRGKRZSA-N 1 0 280.343 3.398 20 5 CGBDRO CCCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000151571514 519892648 /nfs/dbraw/zinc/89/26/48/519892648.db2.gz JSEUIOJZKQQIMC-UHFFFAOYSA-N 1 0 254.355 3.326 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000048261671 522604703 /nfs/dbraw/zinc/60/47/03/522604703.db2.gz UZNQDRQYJAUMAX-INIZCTEOSA-N 1 0 285.347 3.273 20 5 CGBDRO COCC(C)(C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000066996037 522825723 /nfs/dbraw/zinc/82/57/23/522825723.db2.gz FKOISTQNKMWDNY-UHFFFAOYSA-N 1 0 280.368 3.233 20 5 CGBDRO C[N@H+](CCOCC1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000094987362 522891824 /nfs/dbraw/zinc/89/18/24/522891824.db2.gz VRAXDOFPVZGFFO-UHFFFAOYSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(O)CCCCC2)c(Cl)c1 ZINC000087029162 527351522 /nfs/dbraw/zinc/35/15/22/527351522.db2.gz ZOAKALLQQSPEPO-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO CC1(F)CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000449377420 528016483 /nfs/dbraw/zinc/01/64/83/528016483.db2.gz TUVCEZZMNQOIQB-UHFFFAOYSA-N 1 0 272.707 3.228 20 5 CGBDRO CCCC[C@H](C[NH3+])N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298270 528955974 /nfs/dbraw/zinc/95/59/74/528955974.db2.gz NVGAFZMJLOFZSN-GXTWGEPZSA-N 1 0 279.384 3.071 20 5 CGBDRO CC1([NH2+]Cc2cccc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000092853801 535187632 /nfs/dbraw/zinc/18/76/32/535187632.db2.gz WFVDDJVDAMZDCB-UHFFFAOYSA-N 1 0 282.343 3.242 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+]3C4CCC3CC4)c2)cc1 ZINC000728897202 571846845 /nfs/dbraw/zinc/84/68/45/571846845.db2.gz LNVBHDAYWQIXBY-UHFFFAOYSA-N 1 0 298.346 3.043 20 5 CGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1CC1CCCCC1 ZINC000747076664 572908112 /nfs/dbraw/zinc/90/81/12/572908112.db2.gz QLPWMVJAYYBGCW-AWEZNQCLSA-N 1 0 292.383 3.184 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222378 572919417 /nfs/dbraw/zinc/91/94/17/572919417.db2.gz AUQFLBMDQFBFFP-GHMZBOCLSA-N 1 0 297.786 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSC[C@H]2C2CC2)cc1 ZINC000933916095 618378268 /nfs/dbraw/zinc/37/82/68/618378268.db2.gz OHRKTEYIQAMATH-HNNXBMFYSA-N 1 0 292.404 3.312 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000934398494 618617112 /nfs/dbraw/zinc/61/71/12/618617112.db2.gz VPLSUHBQCVUITD-WFASDCNBSA-N 1 0 290.363 3.347 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000235082620 618646520 /nfs/dbraw/zinc/64/65/20/618646520.db2.gz IHPLDZGJFBAUOE-CHWSQXEVSA-N 1 0 280.393 3.277 20 5 CGBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cc1[N+](=O)[O-] ZINC000934770339 618686220 /nfs/dbraw/zinc/68/62/20/618686220.db2.gz XYZHMVSLQLWJGQ-HIFRSBDPSA-N 1 0 292.404 3.088 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCOCC1CC1 ZINC000236062106 618838729 /nfs/dbraw/zinc/83/87/29/618838729.db2.gz PPZJFEOZJQLIDZ-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2csc([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000053252262 619077738 /nfs/dbraw/zinc/07/77/38/619077738.db2.gz HIKDYEFJDUIADE-LLVKDONJSA-N 1 0 289.360 3.185 20 5 CGBDRO COCC1(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000895091492 619725232 /nfs/dbraw/zinc/72/52/32/619725232.db2.gz OSIDJSFKGNVYQC-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC2CSC2)cc1[N+](=O)[O-] ZINC000895422414 619827108 /nfs/dbraw/zinc/82/71/08/619827108.db2.gz CAMLSKYGKJGMJE-UHFFFAOYSA-N 1 0 280.393 3.171 20 5 CGBDRO CS[C@H]1CC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896510118 620015963 /nfs/dbraw/zinc/01/59/63/620015963.db2.gz LCKXEUSFKVAIFF-WQAKAFBOSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccnnc1)c1cccc([N+](=O)[O-])c1 ZINC000925231082 620252951 /nfs/dbraw/zinc/25/29/51/620252951.db2.gz RNRYSTTWMOADFE-IAQYHMDHSA-N 1 0 286.335 3.187 20 5 CGBDRO Cc1noc(C)c1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469749 620342104 /nfs/dbraw/zinc/34/21/04/620342104.db2.gz PVRMPVZHCBNSRV-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000897960630 620456968 /nfs/dbraw/zinc/45/69/68/620456968.db2.gz XKFZAJRAVJYDAR-IACUBPJLSA-N 1 0 260.337 3.181 20 5 CGBDRO CC[C@@H](C)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903055988 621545062 /nfs/dbraw/zinc/54/50/62/621545062.db2.gz OJJLIPDZBVHGJE-NXEZZACHSA-N 1 0 252.314 3.053 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H](C)CCSC)cc([N+](=O)[O-])c1 ZINC000903098453 621572180 /nfs/dbraw/zinc/57/21/80/621572180.db2.gz PDNZEKNISQTGPL-MNOVXSKESA-N 1 0 298.408 3.396 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@]1(C)CCCO1 ZINC000903244691 621637313 /nfs/dbraw/zinc/63/73/13/621637313.db2.gz BMMHGDLRPQWNLQ-IOASZLSFSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903318905 621673952 /nfs/dbraw/zinc/67/39/52/621673952.db2.gz SHQPYOFDRLJIHU-LEJCRSTHSA-N 1 0 275.352 3.016 20 5 CGBDRO CC(C)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000083417671 625517237 /nfs/dbraw/zinc/51/72/37/625517237.db2.gz WQRKKLAKQAIIPV-UHFFFAOYSA-N 1 0 256.733 3.384 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000223957436 622868154 /nfs/dbraw/zinc/86/81/54/622868154.db2.gz OCTFKEWIQHKXID-CYBMUJFWSA-N 1 0 298.770 3.297 20 5 CGBDRO C[NH+](C)C1(CNc2cccc(F)c2[N+](=O)[O-])CCCCC1 ZINC000919962794 624434799 /nfs/dbraw/zinc/43/47/99/624434799.db2.gz XMDPUQUBHUZSMK-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788668914 626185596 /nfs/dbraw/zinc/18/55/96/626185596.db2.gz BQCLPVQQLIJTQE-UWVGGRQHSA-N 1 0 263.341 3.016 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000839639051 626773794 /nfs/dbraw/zinc/77/37/94/626773794.db2.gz LITJIMBWSFDTSI-ZUZCIYMTSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761511748 627047283 /nfs/dbraw/zinc/04/72/83/627047283.db2.gz OWNKKSAVVOMNAR-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764884788 627231794 /nfs/dbraw/zinc/23/17/94/627231794.db2.gz JTVRQIQPOXZNIA-LBPRGKRZSA-N 1 0 290.367 3.187 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764972655 627234878 /nfs/dbraw/zinc/23/48/78/627234878.db2.gz OKBFRMIPUNNQAC-GFCCVEGCSA-N 1 0 288.351 3.085 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000775732240 628130609 /nfs/dbraw/zinc/13/06/09/628130609.db2.gz QNGQEYOKHUFDIY-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584715 628221032 /nfs/dbraw/zinc/22/10/32/628221032.db2.gz PDLVPLDOXOQZET-WWGRRREGSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585000 628221053 /nfs/dbraw/zinc/22/10/53/628221053.db2.gz QTAGETCXTRCRHB-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584670 628221280 /nfs/dbraw/zinc/22/12/80/628221280.db2.gz OHDNWDUFFNYKLU-CVEARBPZSA-N 1 0 292.379 3.139 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000783637065 628734007 /nfs/dbraw/zinc/73/40/07/628734007.db2.gz CMLQRIRDMKUHAG-OLZOCXBDSA-N 1 0 298.770 3.151 20 5 CGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000786220267 628919592 /nfs/dbraw/zinc/91/95/92/628919592.db2.gz YWAJFSBTNXLIBP-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497125 629059587 /nfs/dbraw/zinc/05/95/87/629059587.db2.gz DQPWQTZKSVKVBT-NSHDSACASA-N 1 0 271.320 3.028 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602458 629068422 /nfs/dbraw/zinc/06/84/22/629068422.db2.gz NQRNNYJHEWFFEW-WCQYABFASA-N 1 0 295.383 3.033 20 5 CGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC000796530613 629796796 /nfs/dbraw/zinc/79/67/96/629796796.db2.gz IGAYJXHCJGIXLN-GJZGRUSLSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804400316 630525735 /nfs/dbraw/zinc/52/57/35/630525735.db2.gz RHNQQIFQMOVWES-GFCCVEGCSA-N 1 0 297.786 3.215 20 5 CGBDRO CCOC1CC([N@H+](C)Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000809774620 630804115 /nfs/dbraw/zinc/80/41/15/630804115.db2.gz VLPMTTSZTGCVSG-UHFFFAOYSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615564 631805629 /nfs/dbraw/zinc/80/56/29/631805629.db2.gz RTYHDAOQSMDAQP-JQWIXIFHSA-N 1 0 295.408 3.113 20 5 CGBDRO CC(C)C(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819257091 632412984 /nfs/dbraw/zinc/41/29/84/632412984.db2.gz SDZHCLUCOYQZPD-MRXNPFEDSA-N 1 0 294.395 3.146 20 5 CGBDRO C[C@@H](CCc1cccnc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000866274329 633058558 /nfs/dbraw/zinc/05/85/58/633058558.db2.gz INRCWCQVMFVXOI-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000824462534 633247974 /nfs/dbraw/zinc/24/79/74/633247974.db2.gz DZKREUDZBHYVBK-WHOFXGATSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000830156328 633834040 /nfs/dbraw/zinc/83/40/40/633834040.db2.gz SAWDGBVZZWMGDN-WCBMZHEXSA-N 1 0 289.162 3.439 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026966 633946910 /nfs/dbraw/zinc/94/69/10/633946910.db2.gz GWKBEPCTJMQDEM-LPEHRKFASA-N 1 0 252.289 3.041 20 5 CGBDRO COC[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029636 633947963 /nfs/dbraw/zinc/94/79/63/633947963.db2.gz XHBBOWJTGZKMSJ-QWRGUYRKSA-N 1 0 298.408 3.250 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061573 633984084 /nfs/dbraw/zinc/98/40/84/633984084.db2.gz ZDKOCRWXKGQQAE-RYUDHWBXSA-N 1 0 296.342 3.344 20 5 CGBDRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077539 634000028 /nfs/dbraw/zinc/00/00/28/634000028.db2.gz KAQZNZOBNGLYKF-RYUDHWBXSA-N 1 0 296.342 3.201 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000873099022 634246028 /nfs/dbraw/zinc/24/60/28/634246028.db2.gz RCMFWIHFJWFUHA-OCCSQVGLSA-N 1 0 292.379 3.116 20 5 CGBDRO COCC1(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873133919 634253627 /nfs/dbraw/zinc/25/36/27/634253627.db2.gz LEIIZFUNMWURCR-UHFFFAOYSA-N 1 0 292.379 3.118 20 5 CGBDRO Cc1c(C[NH2+]CCCc2ccco2)cccc1[N+](=O)[O-] ZINC000873138350 634256808 /nfs/dbraw/zinc/25/68/08/634256808.db2.gz FPSIJUHRPOEHMG-UHFFFAOYSA-N 1 0 274.320 3.219 20 5 CGBDRO COCC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876692866 634883282 /nfs/dbraw/zinc/88/32/82/634883282.db2.gz IDJFTZAPDMWDJW-UHFFFAOYSA-N 1 0 292.379 3.070 20 5 CGBDRO CCCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000876887441 634921308 /nfs/dbraw/zinc/92/13/08/634921308.db2.gz XSZCIPWLESLVAP-UHFFFAOYSA-N 1 0 277.324 3.406 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCc1ccccn1 ZINC000877317900 635024683 /nfs/dbraw/zinc/02/46/83/635024683.db2.gz FIWCGARMTSXFOH-UHFFFAOYSA-N 1 0 299.374 3.281 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000877557804 635088944 /nfs/dbraw/zinc/08/89/44/635088944.db2.gz QASVLAQXWRTTIC-AUTRQRHGSA-N 1 0 270.279 3.289 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000840966606 635095104 /nfs/dbraw/zinc/09/51/04/635095104.db2.gz RHQYPIDHLAMXEO-KOLCDFICSA-N 1 0 270.279 3.037 20 5 CGBDRO COCCCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000877593974 635105720 /nfs/dbraw/zinc/10/57/20/635105720.db2.gz LFKCRIDMFHOMNB-UHFFFAOYSA-N 1 0 280.368 3.070 20 5 CGBDRO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000879410707 635780656 /nfs/dbraw/zinc/78/06/56/635780656.db2.gz ZSKMFCMGIGZCND-AWEZNQCLSA-N 1 0 296.342 3.171 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(C)(C)O)CC1 ZINC000879626375 635820635 /nfs/dbraw/zinc/82/06/35/635820635.db2.gz JROZSUQVJDEKIR-GFCCVEGCSA-N 1 0 292.379 3.139 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880236848 635947253 /nfs/dbraw/zinc/94/72/53/635947253.db2.gz KLGUPFJMLNROBC-ZDUSSCGKSA-N 1 0 296.342 3.175 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(F)CC1 ZINC000880241817 635950346 /nfs/dbraw/zinc/95/03/46/635950346.db2.gz JZRYOWBXPKOXIR-SNVBAGLBSA-N 1 0 252.289 3.090 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+]2C3CCC2CC3)c1 ZINC000848476315 636579380 /nfs/dbraw/zinc/57/93/80/636579380.db2.gz ZQHNQAWYPPJXBE-UHFFFAOYSA-N 1 0 298.346 3.043 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)CC(F)F ZINC000883251876 636622833 /nfs/dbraw/zinc/62/28/33/636622833.db2.gz HIUSEUOHIHRUQS-UHFFFAOYSA-N 1 0 278.324 3.427 20 5 CGBDRO CO[C@H]1C[C@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000883262823 636633508 /nfs/dbraw/zinc/63/35/08/636633508.db2.gz VUPIIEBPWKLMMR-XZWGOKCESA-N 1 0 290.363 3.013 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CCSC ZINC000850437265 637062836 /nfs/dbraw/zinc/06/28/36/637062836.db2.gz OHKWQDSAPVLDDR-GHMZBOCLSA-N 1 0 298.408 3.396 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850528297 637106584 /nfs/dbraw/zinc/10/65/84/637106584.db2.gz GSEYNIRSGBWRTF-YMRXKLBXSA-N 1 0 298.342 3.424 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1C1CCCC1 ZINC000885963041 637333922 /nfs/dbraw/zinc/33/39/22/637333922.db2.gz JLJLRPRYGMLOIV-AWEZNQCLSA-N 1 0 275.352 3.144 20 5 CGBDRO C[C@@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038575 637378792 /nfs/dbraw/zinc/37/87/92/637378792.db2.gz YUZPGUWHYGKISJ-CJNGLKHVSA-N 1 0 297.358 3.368 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000886114665 637422212 /nfs/dbraw/zinc/42/22/12/637422212.db2.gz UKJGQBHRTUAULH-CQSZACIVSA-N 1 0 277.368 3.438 20 5 CGBDRO CC(C)[C@H](CC(F)(F)F)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886160468 637442910 /nfs/dbraw/zinc/44/29/10/637442910.db2.gz USYJFOWAFGBNOI-JTQLQIEISA-N 1 0 291.273 3.056 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(C3CC3)CCC2)c(F)c1 ZINC000887148539 637762298 /nfs/dbraw/zinc/76/22/98/637762298.db2.gz IKMDACZPJMUBDN-UHFFFAOYSA-N 1 0 282.290 3.295 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CC2(Cl)Cl)cs1 ZINC000856806126 638392679 /nfs/dbraw/zinc/39/26/79/638392679.db2.gz ASNKOPAFJQBAPA-QMMMGPOBSA-N 1 0 295.191 3.330 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000925691661 638569897 /nfs/dbraw/zinc/56/98/97/638569897.db2.gz JKSYVOCFIVNBHL-BEBLISSESA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCCO1 ZINC000927015177 638831712 /nfs/dbraw/zinc/83/17/12/638831712.db2.gz RGRZJXYAZCDLTR-GDBMZVCRSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000927160184 638848782 /nfs/dbraw/zinc/84/87/82/638848782.db2.gz AIDJXZRXJCFSBM-DOMZBBRYSA-N 1 0 290.363 3.347 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH+](C2CC2)C2CC2)ccc1Cl ZINC000859628466 639177007 /nfs/dbraw/zinc/17/70/07/639177007.db2.gz VEPHXWZEOCRHTQ-UHFFFAOYSA-N 1 0 266.728 3.375 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000934625967 639643889 /nfs/dbraw/zinc/64/38/89/639643889.db2.gz AQYRAQXAUCBGKV-ZWNOBZJWSA-N 1 0 264.300 3.178 20 5 CGBDRO C[C@H](CO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000156229448 639972125 /nfs/dbraw/zinc/97/21/25/639972125.db2.gz FXUBGXKFNJYMKQ-CYBMUJFWSA-N 1 0 265.356 3.463 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774970 640802160 /nfs/dbraw/zinc/80/21/60/640802160.db2.gz FKZBORLSRJSDFR-UHFFFAOYSA-N 1 0 294.351 3.470 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774876 640802637 /nfs/dbraw/zinc/80/26/37/640802637.db2.gz KKSYBPPDCUDQOE-LLVKDONJSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000252685962 640857568 /nfs/dbraw/zinc/85/75/68/640857568.db2.gz IYCXFOOVEIEITQ-KNPMLCFXSA-N 1 0 292.379 3.043 20 5 CGBDRO C[NH+](C)CCCCNc1ncc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001161724749 806436410 /nfs/dbraw/zinc/43/64/10/806436410.db2.gz NNOQORLZDWGRHO-UHFFFAOYSA-N 1 0 294.399 3.041 20 5 CGBDRO Cc1ccnc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254539999 806446374 /nfs/dbraw/zinc/44/63/74/806446374.db2.gz OIHDAWVNYQLCBH-CQSZACIVSA-N 1 0 299.374 3.062 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1CCC1 ZINC001254540781 806446538 /nfs/dbraw/zinc/44/65/38/806446538.db2.gz WJJGXMAOMLVWKE-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001254548784 806448353 /nfs/dbraw/zinc/44/83/53/806448353.db2.gz MGSHUJVSAIUKEY-GUIRCDHDSA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001254550280 806448427 /nfs/dbraw/zinc/44/84/27/806448427.db2.gz HCKSHZGFJGZAOJ-QWHCGFSZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001254559639 806450017 /nfs/dbraw/zinc/45/00/17/806450017.db2.gz LIXRZQXYTIAGRT-FPMFFAJLSA-N 1 0 274.364 3.114 20 5 CGBDRO C[NH2+]Cc1ccc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254562952 806451188 /nfs/dbraw/zinc/45/11/88/806451188.db2.gz SDVIFRQTLRYGEJ-ZDUSSCGKSA-N 1 0 299.374 3.357 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254569355 806452613 /nfs/dbraw/zinc/45/26/13/806452613.db2.gz XHYDDRFRHUTVDO-GUYCJALGSA-N 1 0 296.370 3.455 20 5 CGBDRO CCCCCC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566256 806452924 /nfs/dbraw/zinc/45/29/24/806452924.db2.gz IZDSHSNKDYWVFS-CQSZACIVSA-N 1 0 262.353 3.232 20 5 CGBDRO Cc1ccnc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580457 806455601 /nfs/dbraw/zinc/45/56/01/806455601.db2.gz CUVSVMFKDPACCA-DOMZBBRYSA-N 1 0 297.358 3.116 20 5 CGBDRO CC(C)C[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580753 806455767 /nfs/dbraw/zinc/45/57/67/806455767.db2.gz FMIVFRHKCNKVLW-RISCZKNCSA-N 1 0 262.353 3.086 20 5 CGBDRO CCC[N@H+](CC1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598817 806458720 /nfs/dbraw/zinc/45/87/20/806458720.db2.gz MATAHEVAPAWVKT-MRXNPFEDSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC3CCC(CC3)C1)C2 ZINC001254605477 806459707 /nfs/dbraw/zinc/45/97/07/806459707.db2.gz AHTVNHHVCVPLBX-FVKWTLKZSA-N 1 0 286.375 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]3CCC[C@H]31)C2 ZINC001254604006 806459861 /nfs/dbraw/zinc/45/98/61/806459861.db2.gz SAPNOXLRMDBGSQ-JCURWCKSSA-N 1 0 286.375 3.327 20 5 CGBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001162677898 806646189 /nfs/dbraw/zinc/64/61/89/806646189.db2.gz VTIQGRAWOBNPFB-ZYHUDNBSSA-N 1 0 277.368 3.055 20 5 CGBDRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037110113 798858933 /nfs/dbraw/zinc/85/89/33/798858933.db2.gz SGANIYMNOXVTJV-VIFPVBQESA-N 1 0 256.733 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(CCO)CCCC1 ZINC000687322701 799739061 /nfs/dbraw/zinc/73/90/61/799739061.db2.gz NENDFGBGYRXUIY-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000693032987 799806365 /nfs/dbraw/zinc/80/63/65/799806365.db2.gz XSJIEKUZGKNHFL-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(F)F ZINC000694002193 799819832 /nfs/dbraw/zinc/81/98/32/799819832.db2.gz IWBQOUZNHZVLKW-UHFFFAOYSA-N 1 0 272.295 3.366 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1OCCC1CC[NH2+]CC1 ZINC000695241066 799827903 /nfs/dbraw/zinc/82/79/03/799827903.db2.gz UFRXAPJBIMOQNC-UHFFFAOYSA-N 1 0 284.743 3.017 20 5 CGBDRO Cc1c(C[NH2+]CC[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000704840557 799942119 /nfs/dbraw/zinc/94/21/19/799942119.db2.gz JVQOBCUEXDXBIV-LBPRGKRZSA-N 1 0 280.393 3.136 20 5 CGBDRO CCC[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)OCC ZINC000705322606 799948972 /nfs/dbraw/zinc/94/89/72/799948972.db2.gz IQVMFRBVZFSZNZ-AWEZNQCLSA-N 1 0 280.368 3.198 20 5 CGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001163721125 806807847 /nfs/dbraw/zinc/80/78/47/806807847.db2.gz GZLHRMVOCIBYQF-GFCCVEGCSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000716896600 800184836 /nfs/dbraw/zinc/18/48/36/800184836.db2.gz WOQUDYMRHVROSE-NJZAAPMLSA-N 1 0 280.368 3.185 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001163787126 806828007 /nfs/dbraw/zinc/82/80/07/806828007.db2.gz YREULURABWTHFH-NSHDSACASA-N 1 0 273.336 3.110 20 5 CGBDRO O[C@@]1(CNc2c3ccccc3cc3ccccc32)CC[NH2+]C1 ZINC001245974814 804091550 /nfs/dbraw/zinc/09/15/50/804091550.db2.gz WTBHPPOGYYEYIC-IBGZPJMESA-N 1 0 292.382 3.129 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001165279401 806986018 /nfs/dbraw/zinc/98/60/18/806986018.db2.gz URHMGQZZWDQTCY-JTQLQIEISA-N 1 0 299.321 3.017 20 5 CGBDRO O=C(N[C@H]1CC[NH2+]C1)c1c2ccccc2cc2ccccc21 ZINC001153498430 805399396 /nfs/dbraw/zinc/39/93/96/805399396.db2.gz FIDIYSYWTQIUFC-HNNXBMFYSA-N 1 0 290.366 3.085 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1Cl ZINC001168961853 807541751 /nfs/dbraw/zinc/54/17/51/807541751.db2.gz KHVYNNFFWKPZOB-QJPTWQEYSA-N 1 0 282.771 3.436 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168963179 807543059 /nfs/dbraw/zinc/54/30/59/807543059.db2.gz OLOQHJJTAUPRJZ-NWANDNLSSA-N 1 0 262.353 3.173 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168977347 807545232 /nfs/dbraw/zinc/54/52/32/807545232.db2.gz ARRXFCBIICPJDS-RRFJBIMHSA-N 1 0 276.380 3.399 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001168979463 807546027 /nfs/dbraw/zinc/54/60/27/807546027.db2.gz YGVYUJATQDMWKY-BXKDBHETSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC001168984944 807546785 /nfs/dbraw/zinc/54/67/85/807546785.db2.gz BMLOCNYLXHQZLS-DGCLKSJQSA-N 1 0 290.388 3.436 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc3sccc32)C1 ZINC001168987833 807548041 /nfs/dbraw/zinc/54/80/41/807548041.db2.gz KRUKYKALKKSNBR-AAEUAGOBSA-N 1 0 290.388 3.436 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168998464 807549172 /nfs/dbraw/zinc/54/91/72/807549172.db2.gz NIVLHTPDBZYMMY-NFAWXSAZSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001169001692 807549184 /nfs/dbraw/zinc/54/91/84/807549184.db2.gz HNLXMEMBNZMCTJ-MXASKKJJSA-N 1 0 288.391 3.358 20 5 CGBDRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001051 807549402 /nfs/dbraw/zinc/54/94/02/807549402.db2.gz CNZZCZOXIYNMNV-IHRRRGAJSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007239 807551313 /nfs/dbraw/zinc/55/13/13/807551313.db2.gz MBTXFRCHLSZEOE-IAQYHMDHSA-N 1 0 294.782 3.144 20 5 CGBDRO C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008653 807551612 /nfs/dbraw/zinc/55/16/12/807551612.db2.gz SUAPLHGCYNDSJJ-NFAWXSAZSA-N 1 0 274.364 3.051 20 5 CGBDRO Cc1ccc2cccc(C[NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)c2n1 ZINC001169008715 807551847 /nfs/dbraw/zinc/55/18/47/807551847.db2.gz UGMNLLCNPNOLNY-XJKSGUPXSA-N 1 0 299.374 3.078 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169011981 807553427 /nfs/dbraw/zinc/55/34/27/807553427.db2.gz OGFWINLEZPWAGT-UHOFOFEASA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001169034190 807555335 /nfs/dbraw/zinc/55/53/35/807555335.db2.gz FWTMBBXHSVRGKP-KCXAZCMYSA-N 1 0 292.354 3.408 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037249 807555776 /nfs/dbraw/zinc/55/57/76/807555776.db2.gz RLPMAMDYRJDYPX-GXTWGEPZSA-N 1 0 282.771 3.217 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169029569 807556249 /nfs/dbraw/zinc/55/62/49/807556249.db2.gz UJMBSZGOSGSCQA-HYVNUMGLSA-N 1 0 288.391 3.311 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001169030316 807556269 /nfs/dbraw/zinc/55/62/69/807556269.db2.gz YQSAIRRDAMUIFE-FRRDWIJNSA-N 1 0 280.393 3.330 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040927 807556931 /nfs/dbraw/zinc/55/69/31/807556931.db2.gz ADORUNPJPWWAHJ-NVXWUHKLSA-N 1 0 288.391 3.487 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042145 807557867 /nfs/dbraw/zinc/55/78/67/807557867.db2.gz DDVYIDKLLMXOMY-BYNSBNAKSA-N 1 0 286.375 3.019 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ncccc1[N+](=O)[O-] ZINC001169695082 807689687 /nfs/dbraw/zinc/68/96/87/807689687.db2.gz FADXJKCMQKEQBZ-CYBMUJFWSA-N 1 0 298.346 3.230 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334763 807826912 /nfs/dbraw/zinc/82/69/12/807826912.db2.gz IFCCQOFJNFSNEI-NWDGAFQWSA-N 1 0 280.368 3.265 20 5 CGBDRO C[NH+]1C(C)(C)CC(Nc2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC001170448217 807844287 /nfs/dbraw/zinc/84/42/87/807844287.db2.gz TZXNWOWOGZWHHL-UHFFFAOYSA-N 1 0 292.383 3.053 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC=CC1)CC2 ZINC001172898144 808474972 /nfs/dbraw/zinc/47/49/72/808474972.db2.gz GXJMGOIUCMRBAJ-HNNXBMFYSA-N 1 0 272.348 3.150 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccoc1)CC2 ZINC001172901148 808476032 /nfs/dbraw/zinc/47/60/32/808476032.db2.gz KBDPTEYSWYIDBZ-HNNXBMFYSA-N 1 0 286.331 3.225 20 5 CGBDRO CC(C)[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898264 808476135 /nfs/dbraw/zinc/47/61/35/808476135.db2.gz JXEFLMBHWTZZMF-SWLSCSKDSA-N 1 0 276.380 3.476 20 5 CGBDRO CSCC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911677 808476596 /nfs/dbraw/zinc/47/65/96/808476596.db2.gz DUERMEKZIIPTEX-AWEZNQCLSA-N 1 0 294.420 3.137 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2(C)CCC2)c1F ZINC001173177399 808533214 /nfs/dbraw/zinc/53/32/14/808533214.db2.gz UGHIIRSMHQLPHH-JTQLQIEISA-N 1 0 296.342 3.206 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC001173209544 808538071 /nfs/dbraw/zinc/53/80/71/808538071.db2.gz CUVPBVCOWAHGNM-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(C[NH3+])c1 ZINC001173213810 808538485 /nfs/dbraw/zinc/53/84/85/808538485.db2.gz KPVICMLGGGLUNT-LBPRGKRZSA-N 1 0 285.347 3.097 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH3+])cc1 ZINC001173213597 808538914 /nfs/dbraw/zinc/53/89/14/808538914.db2.gz JBPSJAQLSGPLCQ-ZDUSSCGKSA-N 1 0 299.374 3.139 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C ZINC001173216895 808539000 /nfs/dbraw/zinc/53/90/00/808539000.db2.gz NMUQOYFBTYGTFP-NSHDSACASA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC001173220647 808539819 /nfs/dbraw/zinc/53/98/19/808539819.db2.gz BOTKHCGLXSNOIM-WFASDCNBSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccn1 ZINC001173230520 808543694 /nfs/dbraw/zinc/54/36/94/808543694.db2.gz YQGQNGZLZPQYCD-AWEZNQCLSA-N 1 0 299.374 3.095 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001177267053 809789942 /nfs/dbraw/zinc/78/99/42/809789942.db2.gz HKVSFRJNGLOPPA-RKDXNWHRSA-N 1 0 299.168 3.103 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c1 ZINC001186790588 810362182 /nfs/dbraw/zinc/36/21/82/810362182.db2.gz JIXIOROBRJZQTA-KBPBESRZSA-N 1 0 277.368 3.044 20 5 CGBDRO C[C@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001187625012 810410443 /nfs/dbraw/zinc/41/04/43/810410443.db2.gz MPAGRKKLGNHWME-NSHDSACASA-N 1 0 295.408 3.109 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC001193607426 810919066 /nfs/dbraw/zinc/91/90/66/810919066.db2.gz UCQRQZQNOCFLQL-GXSJLCMTSA-N 1 0 254.355 3.277 20 5 CGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC001194624583 811096897 /nfs/dbraw/zinc/09/68/97/811096897.db2.gz HLZYYYPRWYOFBV-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO C[C@H]([NH2+]Cc1ccnc(Cl)c1)c1ccc([N+](=O)[O-])cc1 ZINC001197659195 811441320 /nfs/dbraw/zinc/44/13/20/811441320.db2.gz IEICPPIFQOVMJB-JTQLQIEISA-N 1 0 291.738 3.494 20 5 CGBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])ccc1F ZINC001202229054 812044277 /nfs/dbraw/zinc/04/42/77/812044277.db2.gz YYMQTJQZOFVGAP-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2C=CCC2)c1 ZINC001203485934 812373005 /nfs/dbraw/zinc/37/30/05/812373005.db2.gz RFOOOHMBEJGBPO-JTQLQIEISA-N 1 0 298.289 3.252 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc2ccccc2c1 ZINC001205770126 813072364 /nfs/dbraw/zinc/07/23/64/813072364.db2.gz ZQFREGSUNFDDPX-CQSZACIVSA-N 1 0 258.385 3.451 20 5 CGBDRO C[N@H+]1CC=C(Nc2cc3cccnc3c3ncccc23)CC1 ZINC001208909421 813893067 /nfs/dbraw/zinc/89/30/67/813893067.db2.gz AFADOBDHWGEERP-UHFFFAOYSA-N 1 0 290.370 3.414 20 5 CGBDRO c1ccc2nc3cc(O[C@H]4CCCC[NH2+]C4)ccc3nc2c1 ZINC001217971915 816024450 /nfs/dbraw/zinc/02/44/50/816024450.db2.gz ZNNBOGPDAOTVST-AWEZNQCLSA-N 1 0 293.370 3.304 20 5 CGBDRO c1cnc2c(c1)ccc1c(O[C@H]3CCCC[NH2+]C3)ccnc12 ZINC001217974393 816026245 /nfs/dbraw/zinc/02/62/45/816026245.db2.gz IMBZIBAWZOLDPP-AWEZNQCLSA-N 1 0 293.370 3.304 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001217983760 816032330 /nfs/dbraw/zinc/03/23/30/816032330.db2.gz CLBXYCKGQQRPQL-MWLCHTKSSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001218028977 816063869 /nfs/dbraw/zinc/06/38/69/816063869.db2.gz AFMFDVXJTUTNGB-ONGXEEELSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218045409 816072496 /nfs/dbraw/zinc/07/24/96/816072496.db2.gz LDWHYTBTVHMWBE-DOMZBBRYSA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218079662 816088031 /nfs/dbraw/zinc/08/80/31/816088031.db2.gz HSTZTEXTRCNTNK-CYBMUJFWSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218080522 816088106 /nfs/dbraw/zinc/08/81/06/816088106.db2.gz MJNKFXJEOJKXKX-CYBMUJFWSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218147370 816114297 /nfs/dbraw/zinc/11/42/97/816114297.db2.gz WZIGFRLUCSJSDC-GBIKHYSHSA-N 1 0 296.754 3.015 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001218187328 816120393 /nfs/dbraw/zinc/12/03/93/816120393.db2.gz FPCSTMRMTRGLDG-MGCOHNPYSA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218310766 816161571 /nfs/dbraw/zinc/16/15/71/816161571.db2.gz ZLWKRSIXNBKNLO-ZDUSSCGKSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1Cl ZINC001218316409 816163952 /nfs/dbraw/zinc/16/39/52/816163952.db2.gz REPUPKNIMCRJJV-ZDUSSCGKSA-N 1 0 298.770 3.324 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3C=CC[NH2+]C3)cc2c1 ZINC001218332502 816170078 /nfs/dbraw/zinc/17/00/78/816170078.db2.gz XCSOIXKVOKJQDQ-OAHLLOKOSA-N 1 0 276.339 3.295 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1C[C@@H]2C[NH2+]C[C@@H]12 ZINC001218333136 816171061 /nfs/dbraw/zinc/17/10/61/816171061.db2.gz XZSIBCKRWJPTBL-FSPWUOQZSA-N 1 0 290.366 3.375 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218382445 816183750 /nfs/dbraw/zinc/18/37/50/816183750.db2.gz BRIPGTYBZOKNBR-IAQYHMDHSA-N 1 0 264.328 3.127 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218419223 816205716 /nfs/dbraw/zinc/20/57/16/816205716.db2.gz ASZUFUILYMJYGV-SMDDNHRTSA-N 1 0 286.331 3.125 20 5 CGBDRO CC1(C)C[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218471673 816230362 /nfs/dbraw/zinc/23/03/62/816230362.db2.gz ABKZKRPWIZKSNC-SNVBAGLBSA-N 1 0 284.743 3.158 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1nc(-c2ccccc2)cs1 ZINC001223519819 816645468 /nfs/dbraw/zinc/64/54/68/816645468.db2.gz YMHSEKDSIVTPLR-ZDUSSCGKSA-N 1 0 291.440 3.421 20 5 CGBDRO C[C@@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020677 816721684 /nfs/dbraw/zinc/72/16/84/816721684.db2.gz ZNUHTOIEKQJYHW-FWYOQMDTSA-N 1 0 290.363 3.298 20 5 CGBDRO C[C@@H](OCCC[N+](C)(C)C)c1ccc(F)c(F)c1 ZINC001224623331 816834737 /nfs/dbraw/zinc/83/47/37/816834737.db2.gz MQSBODXISDVEID-LLVKDONJSA-N 1 0 258.332 3.139 20 5 CGBDRO CCCCC(=O)[C@@H](CCCC)OCC[N+](C)(C)C ZINC001224775799 816879244 /nfs/dbraw/zinc/87/92/44/816879244.db2.gz PJZXRMMGSNOYPY-OAHLLOKOSA-N 1 0 258.426 3.027 20 5 CGBDRO Cc1c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001225692956 817144593 /nfs/dbraw/zinc/14/45/93/817144593.db2.gz JDVXBJRSESLZMP-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO CC[NH+]1CCC(Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225710514 817151747 /nfs/dbraw/zinc/15/17/47/817151747.db2.gz LTAGWFBSOXYANG-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225788848 817179423 /nfs/dbraw/zinc/17/94/23/817179423.db2.gz PINKKNDIVNXIHF-XYPYZODXSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc(Cl)c(O[C@H](C)C[N+](C)(C)C)c1F ZINC001225932985 817222054 /nfs/dbraw/zinc/22/20/54/817222054.db2.gz NNQXICWHXAYZIY-SNVBAGLBSA-N 1 0 260.760 3.261 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973118 817235201 /nfs/dbraw/zinc/23/52/01/817235201.db2.gz OMJILEOJRWJBKV-QGZVFWFLSA-N 1 0 298.342 3.345 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810337 817472614 /nfs/dbraw/zinc/47/26/14/817472614.db2.gz MTHWJZAJXXDRFU-LBPRGKRZSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001226990880 817527374 /nfs/dbraw/zinc/52/73/74/817527374.db2.gz YKBWFPMOXRWQMX-NSHDSACASA-N 1 0 298.770 3.420 20 5 CGBDRO CCCCOC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227914171 817751935 /nfs/dbraw/zinc/75/19/35/817751935.db2.gz WBUBPZJDOQMEJB-CQSZACIVSA-N 1 0 294.415 3.117 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257748 817853170 /nfs/dbraw/zinc/85/31/70/817853170.db2.gz LFCKXINMOWSPLR-ZDUSSCGKSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1OCC(F)(F)F ZINC001228268487 817856758 /nfs/dbraw/zinc/85/67/58/817856758.db2.gz ULRPBTDUUJTBCC-LLVKDONJSA-N 1 0 292.321 3.101 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C)cc([N+](=O)[O-])c1 ZINC001228832755 818015178 /nfs/dbraw/zinc/01/51/78/818015178.db2.gz BYRUTKKHCSSBHU-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO CC(C)c1cc2c(ncnc2O[C@H](C)C[N+](C)(C)C)s1 ZINC001233811420 818710822 /nfs/dbraw/zinc/71/08/22/818710822.db2.gz UKBSNRNOCSUILN-LLVKDONJSA-N 1 0 294.444 3.288 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CC2(CC2(F)F)C1 ZINC001350159716 936981707 /nfs/dbraw/zinc/98/17/07/936981707.db2.gz MATDOOGLHMDRIK-VTGPFMDVSA-N 1 0 294.301 3.360 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774531 927575603 /nfs/dbraw/zinc/57/56/03/927575603.db2.gz LCIKYBCLJSBANA-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1ccc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458556708 937468529 /nfs/dbraw/zinc/46/85/29/937468529.db2.gz NCISSHJOIHHFPA-OAHLLOKOSA-N 1 0 291.395 3.070 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950414 937507773 /nfs/dbraw/zinc/50/77/73/937507773.db2.gz OGWTXXKVPALVBC-CZUORRHYSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001228920845 932051610 /nfs/dbraw/zinc/05/16/10/932051610.db2.gz JOACAVGCNIPPFQ-AWEZNQCLSA-N 1 0 278.352 3.155 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229381611 932142809 /nfs/dbraw/zinc/14/28/09/932142809.db2.gz UAIQDSDDHCAMHQ-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001229919083 932502887 /nfs/dbraw/zinc/50/28/87/932502887.db2.gz GSSDPPSCAXWIHB-CYBMUJFWSA-N 1 0 294.415 3.115 20 5 CGBDRO COc1cc(Nc2[nH]cc(C)[nH+]2)c(Cl)cc1[N+](=O)[O-] ZINC001306996789 932766130 /nfs/dbraw/zinc/76/61/30/932766130.db2.gz BGTIPFIRKFSKJJ-UHFFFAOYSA-N 1 0 282.687 3.032 20 5 CGBDRO C[C@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001308120102 933054117 /nfs/dbraw/zinc/05/41/17/933054117.db2.gz VTWFVBLBPIXTLZ-SFDCQRBFSA-N 1 0 290.388 3.300 20 5 CGBDRO CC(C)CCCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001308903780 933200605 /nfs/dbraw/zinc/20/06/05/933200605.db2.gz YPEUAWRWPBSOMG-MRXNPFEDSA-N 1 0 294.395 3.218 20 5 CGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785276 933779963 /nfs/dbraw/zinc/77/99/63/933779963.db2.gz UJDOTHRDBZYSEX-CHWSQXEVSA-N 1 0 280.393 3.311 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383917 933866595 /nfs/dbraw/zinc/86/65/95/933866595.db2.gz PAYXOIPCKOCGJR-APHBMKBZSA-N 1 0 291.395 3.118 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001322680113 934329084 /nfs/dbraw/zinc/32/90/84/934329084.db2.gz DVYQEOOIAOPTDQ-AAEUAGOBSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001330302937 935284581 /nfs/dbraw/zinc/28/45/81/935284581.db2.gz UNDNGTHNBXYPNE-FRRDWIJNSA-N 1 0 296.317 3.427 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC(F)F ZINC001332318793 935458730 /nfs/dbraw/zinc/45/87/30/935458730.db2.gz SRDWQGPNZRZTPL-UHFFFAOYSA-N 1 0 272.295 3.347 20 5 CGBDRO Cc1c[nH]c(Nc2ccc([N+](=O)[O-])cc2Cl)[nH+]1 ZINC001333981580 936078233 /nfs/dbraw/zinc/07/82/33/936078233.db2.gz LNDRNCULMNEZRB-UHFFFAOYSA-N 1 0 252.661 3.023 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001473784669 937821888 /nfs/dbraw/zinc/82/18/88/937821888.db2.gz RHBKHTUDEAZDSK-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO CCc1ccccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001474098481 937840028 /nfs/dbraw/zinc/84/00/28/937840028.db2.gz AHAWPOQOYJLCJP-UHFFFAOYSA-N 1 0 284.359 3.490 20 5 CGBDRO CC[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755828 938234568 /nfs/dbraw/zinc/23/45/68/938234568.db2.gz KJKAYYYSDODMAB-JSGCOSHPSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@H]1[C@@H](C)[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001559923411 938239107 /nfs/dbraw/zinc/23/91/07/938239107.db2.gz ZXISHRQPXMAKEN-JHJVBQTASA-N 1 0 262.353 3.114 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C=CCC1 ZINC001560985784 938287979 /nfs/dbraw/zinc/28/79/79/938287979.db2.gz LKNARWBCVLZHSX-KBPBESRZSA-N 1 0 274.364 3.472 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414116582 529607622 /nfs/dbraw/zinc/60/76/22/529607622.db2.gz QWWNFOBYLWMETK-XBFCOCLRSA-N 1 0 262.353 3.162 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000338350919 214544621 /nfs/dbraw/zinc/54/46/21/214544621.db2.gz QLAJTWCCHGWUNO-UHFFFAOYSA-N 1 0 270.332 3.269 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414285641 529666940 /nfs/dbraw/zinc/66/69/40/529666940.db2.gz BLZMGMFOTSZONL-INWMFGNUSA-N 1 0 294.395 3.349 20 5 CGBDRO CCCCOCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000128046664 187348242 /nfs/dbraw/zinc/34/82/42/187348242.db2.gz IMZCFCYPMHLDBZ-CYBMUJFWSA-N 1 0 280.368 3.452 20 5 CGBDRO Cc1ccc(CNc2[nH+]ccn2CC(C)C)cc1[N+](=O)[O-] ZINC000351545446 219121024 /nfs/dbraw/zinc/12/10/24/219121024.db2.gz MUVAPPMODCHODS-UHFFFAOYSA-N 1 0 288.351 3.368 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC12CCCC2 ZINC000593037802 347029933 /nfs/dbraw/zinc/02/99/33/347029933.db2.gz DSIFWJUKGPMIRZ-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H](CC)CO1 ZINC000593058783 347033602 /nfs/dbraw/zinc/03/36/02/347033602.db2.gz OMNSQQCAZBLXAQ-GDBMZVCRSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000051121688 345087092 /nfs/dbraw/zinc/08/70/92/345087092.db2.gz HJOWDFBSBCVODU-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO CCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000052280352 345102165 /nfs/dbraw/zinc/10/21/65/345102165.db2.gz MUVZEASJGNLVHH-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000061188839 345226880 /nfs/dbraw/zinc/22/68/80/345226880.db2.gz SKAANUNZJFRWAZ-UHFFFAOYSA-N 1 0 280.368 3.008 20 5 CGBDRO Cc1csc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000063132621 345243064 /nfs/dbraw/zinc/24/30/64/345243064.db2.gz DGDOOLDVTBRKEN-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000063302464 345245562 /nfs/dbraw/zinc/24/55/62/345245562.db2.gz DGKUVRKXEUZDNV-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076407495 345542666 /nfs/dbraw/zinc/54/26/66/345542666.db2.gz WLYPQAQOALTUQZ-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076407498 345542681 /nfs/dbraw/zinc/54/26/81/345542681.db2.gz WLYPQAQOALTUQZ-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000077379075 345570947 /nfs/dbraw/zinc/57/09/47/345570947.db2.gz URSWFBYXHNEXCT-UHFFFAOYSA-N 1 0 282.343 3.416 20 5 CGBDRO Cc1ccc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000080532763 345678059 /nfs/dbraw/zinc/67/80/59/345678059.db2.gz AWHDHOREQDJTJL-AWEZNQCLSA-N 1 0 289.335 3.211 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000158468200 232237450 /nfs/dbraw/zinc/23/74/50/232237450.db2.gz OGMUWTGYCXFTNB-ZJUUUORDSA-N 1 0 283.759 3.143 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)c1 ZINC000111397853 345949559 /nfs/dbraw/zinc/94/95/59/345949559.db2.gz WZOILDGJTJYZTA-RDJZCZTQSA-N 1 0 282.343 3.488 20 5 CGBDRO Cc1ncc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000127353522 346030939 /nfs/dbraw/zinc/03/09/39/346030939.db2.gz DTVMJAPWWXSMLE-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccnc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000328067161 346491134 /nfs/dbraw/zinc/49/11/34/346491134.db2.gz CUCGEORQEABTJR-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CCC3)CC2)cc1 ZINC000586783009 346734618 /nfs/dbraw/zinc/73/46/18/346734618.db2.gz IXLMJLMRQLSFMX-UHFFFAOYSA-N 1 0 274.364 3.403 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695045 347105019 /nfs/dbraw/zinc/10/50/19/347105019.db2.gz GDBJCDPHBJJROZ-ZDUSSCGKSA-N 1 0 282.290 3.134 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594597022 347198430 /nfs/dbraw/zinc/19/84/30/347198430.db2.gz CBMXXBIYZWXLHX-GJZGRUSLSA-N 1 0 275.352 3.024 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594597958 347199180 /nfs/dbraw/zinc/19/91/80/347199180.db2.gz FKRKGAOQFQVELJ-TZMCWYRMSA-N 1 0 275.352 3.024 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594495390 347178632 /nfs/dbraw/zinc/17/86/32/347178632.db2.gz VTXGEKCSMPYODV-HNNXBMFYSA-N 1 0 283.331 3.075 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594518626 347187173 /nfs/dbraw/zinc/18/71/73/347187173.db2.gz IKVUCQJFESBTCV-GDBMZVCRSA-N 1 0 292.379 3.341 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccco1 ZINC000595003544 347253427 /nfs/dbraw/zinc/25/34/27/347253427.db2.gz IKWIXUDMLZDZGL-NSHDSACASA-N 1 0 290.319 3.090 20 5 CGBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302041 347289450 /nfs/dbraw/zinc/28/94/50/347289450.db2.gz IQEFJHKGCHIIRN-GXSJLCMTSA-N 1 0 281.356 3.290 20 5 CGBDRO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595376486 347296424 /nfs/dbraw/zinc/29/64/24/347296424.db2.gz ITPBROOHDUXRJC-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO Cc1noc(C[N@H+]2CCCC[C@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595384859 347297761 /nfs/dbraw/zinc/29/77/61/347297761.db2.gz QSTHIOZWJLEYHW-LBPRGKRZSA-N 1 0 281.356 3.292 20 5 CGBDRO CCOC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595016347 347258293 /nfs/dbraw/zinc/25/82/93/347258293.db2.gz XZKNGWSVBMQJSJ-UHFFFAOYSA-N 1 0 278.352 3.032 20 5 CGBDRO CCOC1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000595029303 347262625 /nfs/dbraw/zinc/26/26/25/347262625.db2.gz WDKZIGSZIMZBED-UHFFFAOYSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595029711 347262653 /nfs/dbraw/zinc/26/26/53/347262653.db2.gz XRGVOEUJJULQDZ-TZMCWYRMSA-N 1 0 290.363 3.265 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000595035940 347264776 /nfs/dbraw/zinc/26/47/76/347264776.db2.gz NSWOLYWZZOTLHS-GHMZBOCLSA-N 1 0 278.352 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000595041536 347267429 /nfs/dbraw/zinc/26/74/29/347267429.db2.gz BDMFCCHYRYUWBS-UMSGYPCISA-N 1 0 290.363 3.443 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000595051939 347269982 /nfs/dbraw/zinc/26/99/82/347269982.db2.gz XXYZIHRUXLCYHD-VXGBXAGGSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000595052620 347270069 /nfs/dbraw/zinc/27/00/69/347270069.db2.gz YYFVCZCYFJOLLP-GBIKHYSHSA-N 1 0 296.392 3.006 20 5 CGBDRO CC[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595056649 347271847 /nfs/dbraw/zinc/27/18/47/347271847.db2.gz OZVLEQQFHCTMAO-IUODEOHRSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056933 347272663 /nfs/dbraw/zinc/27/26/63/347272663.db2.gz SZGQVLGNLPVCIX-TZMCWYRMSA-N 1 0 291.395 3.118 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595067085 347276224 /nfs/dbraw/zinc/27/62/24/347276224.db2.gz KNGNHPKOEGQHSV-XNRPHZJLSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000595075923 347277960 /nfs/dbraw/zinc/27/79/60/347277960.db2.gz BXLFVTSSFZBDCO-TYNCELHUSA-N 1 0 290.363 3.129 20 5 CGBDRO CCSC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000595093210 347281035 /nfs/dbraw/zinc/28/10/35/347281035.db2.gz OAWGFZHMPKLRFX-CYBMUJFWSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1=CCCC1 ZINC000595095258 347281762 /nfs/dbraw/zinc/28/17/62/347281762.db2.gz HKQNXIGWHQHZND-CQSZACIVSA-N 1 0 258.321 3.282 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000595599069 347323514 /nfs/dbraw/zinc/32/35/14/347323514.db2.gz KPTDQBGCQACYFO-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595641417 347331690 /nfs/dbraw/zinc/33/16/90/347331690.db2.gz LVDDFQYHCHTKMF-JTQLQIEISA-N 1 0 290.367 3.385 20 5 CGBDRO Cc1ccncc1CN(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595464079 347307875 /nfs/dbraw/zinc/30/78/75/347307875.db2.gz GFXKDBKVFYYOIK-UHFFFAOYSA-N 1 0 289.310 3.069 20 5 CGBDRO Cc1noc(C[N@@H+]2CC[C@H](CC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595521618 347315182 /nfs/dbraw/zinc/31/51/82/347315182.db2.gz FXRANAFBTOZGSM-LLVKDONJSA-N 1 0 281.356 3.149 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596305904 347413872 /nfs/dbraw/zinc/41/38/72/347413872.db2.gz CPWJVRLMRBETJH-NSHDSACASA-N 1 0 295.358 3.266 20 5 CGBDRO CCC[C@@H]([NH2+]CCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596094838 347382325 /nfs/dbraw/zinc/38/23/25/347382325.db2.gz MWGJBORHMSCJFS-CQSZACIVSA-N 1 0 284.331 3.012 20 5 CGBDRO CCC[C@H]([NH2+]CCOCCF)c1cccc([N+](=O)[O-])c1 ZINC000596094837 347382661 /nfs/dbraw/zinc/38/26/61/347382661.db2.gz MWGJBORHMSCJFS-AWEZNQCLSA-N 1 0 284.331 3.012 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596095351 347382741 /nfs/dbraw/zinc/38/27/41/347382741.db2.gz PLAJGYZSHSSRPK-NSHDSACASA-N 1 0 283.397 3.109 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597059652 347532178 /nfs/dbraw/zinc/53/21/78/347532178.db2.gz NCQPZQNGATZJFY-PEYYIBSZSA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598955603 347700736 /nfs/dbraw/zinc/70/07/36/347700736.db2.gz RLBVJHYVSCUWPA-LKTVYLICSA-N 1 0 260.337 3.119 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CC=CCC1 ZINC000598998531 347705029 /nfs/dbraw/zinc/70/50/29/347705029.db2.gz BKCFQPZWFIRYNK-CYBMUJFWSA-N 1 0 260.337 3.431 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000599059601 347712300 /nfs/dbraw/zinc/71/23/00/347712300.db2.gz ZNZDMSCHKBDWBL-KGLIPLIRSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1cc(C2CC[NH2+]CC2)ccc1-c1ccc([N+](=O)[O-])nc1 ZINC000600790015 347836931 /nfs/dbraw/zinc/83/69/31/347836931.db2.gz WNJANNJXHLBSED-UHFFFAOYSA-N 1 0 297.358 3.432 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000601289607 347889419 /nfs/dbraw/zinc/88/94/19/347889419.db2.gz PXTYDVPPRHTBAM-OLZOCXBDSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1[N+](=O)[O-] ZINC000601942103 347926977 /nfs/dbraw/zinc/92/69/77/347926977.db2.gz QYQXWZDYRCZNBD-RYUDHWBXSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(c3ccccc3)C2)c1 ZINC000602726750 348018550 /nfs/dbraw/zinc/01/85/50/348018550.db2.gz BBFCVFBBBXCCIO-UHFFFAOYSA-N 1 0 268.316 3.194 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(CCF)CC1 ZINC000602950179 348047052 /nfs/dbraw/zinc/04/70/52/348047052.db2.gz KPUFZOMVBTWDKP-UHFFFAOYSA-N 1 0 296.342 3.045 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000603859633 348099259 /nfs/dbraw/zinc/09/92/59/348099259.db2.gz LGOAZTHEZRKRDC-KBPBESRZSA-N 1 0 291.395 3.375 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3cccnc3c2)c1 ZINC000608982556 348335046 /nfs/dbraw/zinc/33/50/46/348335046.db2.gz RHQSZNMWAFDTQI-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO C[C@H](Nc1ccsc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000610726103 348399488 /nfs/dbraw/zinc/39/94/88/348399488.db2.gz RJJLNJZHPFEKLO-VIFPVBQESA-N 1 0 271.386 3.045 20 5 CGBDRO CCC[C@H]([NH2+]Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610821197 348404975 /nfs/dbraw/zinc/40/49/75/348404975.db2.gz ZHYJVOQPCLECFE-HNNXBMFYSA-N 1 0 288.351 3.257 20 5 CGBDRO Cc1ncc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000611183962 348426780 /nfs/dbraw/zinc/42/67/80/348426780.db2.gz QBLPBEGQACTGHB-SECBINFHSA-N 1 0 277.349 3.211 20 5 CGBDRO CC(C)C([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000611434149 348451837 /nfs/dbraw/zinc/45/18/37/348451837.db2.gz RRMKNBREWSOXHW-UHFFFAOYSA-N 1 0 280.368 3.244 20 5 CGBDRO CCC[NH+](CCC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978260 219273534 /nfs/dbraw/zinc/27/35/34/219273534.db2.gz PDIZMNSDDUXXMO-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCOC2(CCC2)C1 ZINC000273430566 192147821 /nfs/dbraw/zinc/14/78/21/192147821.db2.gz SYZAFSPDNDQZRR-CQSZACIVSA-N 1 0 290.363 3.095 20 5 CGBDRO C[C@@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000613559527 348618404 /nfs/dbraw/zinc/61/84/04/348618404.db2.gz SBQOGVUCWSAQGW-XNWIYYODSA-N 1 0 270.279 3.289 20 5 CGBDRO CCOc1cc(C[NH2+]C2(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000339503368 215214524 /nfs/dbraw/zinc/21/45/24/215214524.db2.gz AIENFYXXWIHPNR-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC=CC1)CCC2 ZINC000618571414 349108812 /nfs/dbraw/zinc/10/88/12/349108812.db2.gz LZWISLMOCJXGTB-OAHLLOKOSA-N 1 0 258.321 3.280 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(NCC[NH+](C(C)C)C(C)C)n1 ZINC000359109215 233263152 /nfs/dbraw/zinc/26/31/52/233263152.db2.gz NMZUBSXPTMXOMV-UHFFFAOYSA-N 1 0 294.399 3.137 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000271523904 191191496 /nfs/dbraw/zinc/19/14/96/191191496.db2.gz QXIVHSRBFOOKKL-AAEUAGOBSA-N 1 0 280.393 3.011 20 5 CGBDRO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])c2cccnc12 ZINC000133490772 187688575 /nfs/dbraw/zinc/68/85/75/187688575.db2.gz DFXZCHXGPSZSMS-UHFFFAOYSA-N 1 0 288.351 3.072 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292278951 198228541 /nfs/dbraw/zinc/22/85/41/198228541.db2.gz BPQRMGLWXZSOCJ-GFCCVEGCSA-N 1 0 280.393 3.170 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CC)cc1[N+](=O)[O-] ZINC000152551586 188028170 /nfs/dbraw/zinc/02/81/70/188028170.db2.gz ZWQZNJFMVGWCRP-MNOVXSKESA-N 1 0 266.341 3.443 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000155158227 188187691 /nfs/dbraw/zinc/18/76/91/188187691.db2.gz DSBAIRMKHBQZOP-CYBMUJFWSA-N 1 0 296.342 3.170 20 5 CGBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155369952 188201746 /nfs/dbraw/zinc/20/17/46/188201746.db2.gz FFKGMUQGVUZYCR-CYBMUJFWSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOCC[N@H+](CC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157559155 188324589 /nfs/dbraw/zinc/32/45/89/188324589.db2.gz JFTOTFPFTNCTGC-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157678651 188331279 /nfs/dbraw/zinc/33/12/79/188331279.db2.gz QBHGKRRKTHAMPV-IOASZLSFSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CCCCC1 ZINC000478424328 283268818 /nfs/dbraw/zinc/26/88/18/283268818.db2.gz FSJVAWWDHXSCON-UHFFFAOYSA-N 1 0 294.399 3.084 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426464069 236296871 /nfs/dbraw/zinc/29/68/71/236296871.db2.gz XRQSAFDGTWTEEQ-ZFWWWQNUSA-N 1 0 260.337 3.012 20 5 CGBDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296816331 200006207 /nfs/dbraw/zinc/00/62/07/200006207.db2.gz VIJCLDXOGOJXFH-BZUNDVKYSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341886976 216139717 /nfs/dbraw/zinc/13/97/17/216139717.db2.gz YOSHUOGUYKMXLS-KBMXLJTQSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000178474574 189119548 /nfs/dbraw/zinc/11/95/48/189119548.db2.gz TWDFJKIVBIZJLE-OAHLLOKOSA-N 1 0 286.331 3.299 20 5 CGBDRO Cc1c(C[NH2+]C2(CCO)CCCCC2)cccc1[N+](=O)[O-] ZINC000440886918 238360321 /nfs/dbraw/zinc/36/03/21/238360321.db2.gz NFPGPXIRTVEBNK-UHFFFAOYSA-N 1 0 292.379 3.078 20 5 CGBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301464365 201018212 /nfs/dbraw/zinc/01/82/12/201018212.db2.gz PFILPUKCFGOOJZ-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301472053 201020422 /nfs/dbraw/zinc/02/04/22/201020422.db2.gz PUIYMIFOJMLTEJ-GFCCVEGCSA-N 1 0 297.786 3.169 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c1 ZINC000301580935 201078903 /nfs/dbraw/zinc/07/89/03/201078903.db2.gz SUUOZGNITSMGAV-CYBMUJFWSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447552607 238887513 /nfs/dbraw/zinc/88/75/13/238887513.db2.gz UHDHEHSPFDANDZ-GMXABZIVSA-N 1 0 260.337 3.218 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccs1 ZINC000449058835 239148849 /nfs/dbraw/zinc/14/88/49/239148849.db2.gz MIHUSEOJYYAVRI-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccccc21 ZINC000449137598 239197740 /nfs/dbraw/zinc/19/77/40/239197740.db2.gz YNWKHCHWYDHGCP-IUODEOHRSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(F)(F)F ZINC000449177282 239226373 /nfs/dbraw/zinc/22/63/73/239226373.db2.gz RTKXRMSGYRIKDU-SECBINFHSA-N 1 0 276.258 3.068 20 5 CGBDRO C[C@H](CCNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302137063 201359473 /nfs/dbraw/zinc/35/94/73/201359473.db2.gz IDZONQIKHBUKDO-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1Cc2ccccc2C1 ZINC000449243791 239265431 /nfs/dbraw/zinc/26/54/31/239265431.db2.gz NGHYMBYNRWSCRV-CYBMUJFWSA-N 1 0 296.370 3.283 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(F)C1 ZINC000449375639 239361648 /nfs/dbraw/zinc/36/16/48/239361648.db2.gz IEVCKCFAZQJWOJ-PWQPVHBWSA-N 1 0 266.316 3.006 20 5 CGBDRO Cc1cccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302510968 201467954 /nfs/dbraw/zinc/46/79/54/201467954.db2.gz SOMVKXGZTZDDGS-STQMWFEESA-N 1 0 277.368 3.188 20 5 CGBDRO COc1ccc(C[NH+]2CC(C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000459645698 242163701 /nfs/dbraw/zinc/16/37/01/242163701.db2.gz REHOYKHCZPBTCK-UHFFFAOYSA-N 1 0 278.352 3.081 20 5 CGBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000459672414 242173465 /nfs/dbraw/zinc/17/34/65/242173465.db2.gz IGNFCCBWCUHVLK-HNNXBMFYSA-N 1 0 292.379 3.294 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)nc2c1 ZINC000459791780 242235902 /nfs/dbraw/zinc/23/59/02/242235902.db2.gz SZCOLXGFPJLNDL-ADEWGFFLSA-N 1 0 287.319 3.014 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936597 242584939 /nfs/dbraw/zinc/58/49/39/242584939.db2.gz UAXAGTAOXXHVSE-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000481185855 243181731 /nfs/dbraw/zinc/18/17/31/243181731.db2.gz UZGQVJRDDVPYLK-MCIONIFRSA-N 1 0 292.379 3.388 20 5 CGBDRO CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000485736140 243340890 /nfs/dbraw/zinc/34/08/90/243340890.db2.gz HEJCUAZAXSYITJ-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092018 368800407 /nfs/dbraw/zinc/80/04/07/368800407.db2.gz ZWWVKQMWDQDUAN-DZGCQCFKSA-N 1 0 291.395 3.038 20 5 CGBDRO C[C@H](Cc1cccs1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562869 369088404 /nfs/dbraw/zinc/08/84/04/369088404.db2.gz PJWGGMULWNOXPY-SECBINFHSA-N 1 0 282.390 3.439 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2Cc3ccccc32)cs1 ZINC000037566249 369089251 /nfs/dbraw/zinc/08/92/51/369089251.db2.gz QFNWMYNCTDLMRX-GFCCVEGCSA-N 1 0 274.345 3.086 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775216 369164053 /nfs/dbraw/zinc/16/40/53/369164053.db2.gz WKVATSSRZPWLAN-HIFRSBDPSA-N 1 0 280.368 3.043 20 5 CGBDRO C[NH+](C)CCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228839513 189795519 /nfs/dbraw/zinc/79/55/19/189795519.db2.gz ILVXZTCMODFJFX-UHFFFAOYSA-N 1 0 292.166 3.265 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccccn2)C2CC2)cc1 ZINC000130826150 371062535 /nfs/dbraw/zinc/06/25/35/371062535.db2.gz RBRFIQQGDMAFGO-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967239 371072527 /nfs/dbraw/zinc/07/25/27/371072527.db2.gz CAHREGFJBWQZKJ-YPMHNXCESA-N 1 0 291.395 3.037 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000132517610 371180349 /nfs/dbraw/zinc/18/03/49/371180349.db2.gz VBBWPQLCLWKPKF-ZDUSSCGKSA-N 1 0 296.342 3.170 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915793 371487661 /nfs/dbraw/zinc/48/76/61/371487661.db2.gz FGZWXQKRKZRDBA-WQVCFCJDSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC(=O)CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290063016 371893940 /nfs/dbraw/zinc/89/39/40/371893940.db2.gz PMBQAVXVMYNVRC-UHFFFAOYSA-N 1 0 290.363 3.319 20 5 CGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000344164207 217081747 /nfs/dbraw/zinc/08/17/47/217081747.db2.gz ILQBBKOHMFDLGL-CABCVRRESA-N 1 0 292.379 3.278 20 5 CGBDRO CO[C@@](C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000291071292 372108931 /nfs/dbraw/zinc/10/89/31/372108931.db2.gz RTYPYJXJQBJRHZ-YERXGYGTSA-N 1 0 290.363 3.013 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000161240709 372313083 /nfs/dbraw/zinc/31/30/83/372313083.db2.gz VHVUAKNAJCVVQL-JTQLQIEISA-N 1 0 286.372 3.307 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000168439107 372610896 /nfs/dbraw/zinc/61/08/96/372610896.db2.gz TXESJTVSPNEAMJ-LBPRGKRZSA-N 1 0 278.352 3.272 20 5 CGBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000172018777 372885982 /nfs/dbraw/zinc/88/59/82/372885982.db2.gz OYURAIHJTQLNMD-UHFFFAOYSA-N 1 0 254.717 3.233 20 5 CGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000438322578 372923898 /nfs/dbraw/zinc/92/38/98/372923898.db2.gz BIXKPRNRLKGYGW-CYBMUJFWSA-N 1 0 262.353 3.463 20 5 CGBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000438345197 372931640 /nfs/dbraw/zinc/93/16/40/372931640.db2.gz FJIXXMYYSAMQJE-AWEZNQCLSA-N 1 0 298.408 3.077 20 5 CGBDRO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296156313 373038834 /nfs/dbraw/zinc/03/88/34/373038834.db2.gz WFMDIWWTOBIRAY-JTQLQIEISA-N 1 0 289.310 3.288 20 5 CGBDRO C[C@H]([NH2+]CCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173335673 373127546 /nfs/dbraw/zinc/12/75/46/373127546.db2.gz GYMNMZJQYBYIQN-QMMMGPOBSA-N 1 0 294.298 3.498 20 5 CGBDRO Cc1c([C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000353569616 220164486 /nfs/dbraw/zinc/16/44/86/220164486.db2.gz RNQLAHLHCLHFSD-JSGCOSHPSA-N 1 0 293.411 3.283 20 5 CGBDRO C[N@@H+]1CCN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2C1 ZINC000353588024 220174368 /nfs/dbraw/zinc/17/43/68/220174368.db2.gz KNPGQDLUZMCFNI-UHFFFAOYSA-N 1 0 297.358 3.047 20 5 CGBDRO CC[C@@H](O)CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344894913 217347521 /nfs/dbraw/zinc/34/75/21/217347521.db2.gz YQEVCOXDWRMPCF-IVOILVROSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ncccc1[N+](=O)[O-] ZINC000298682298 373380740 /nfs/dbraw/zinc/38/07/40/373380740.db2.gz AHXMZAVEWLEJJW-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539034 373448314 /nfs/dbraw/zinc/44/83/14/373448314.db2.gz FHGMOUUVYHQDQI-MGPQQGTHSA-N 1 0 294.399 3.157 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301074432 373650312 /nfs/dbraw/zinc/65/03/12/373650312.db2.gz GOBQVVSIOIFLMR-VXGBXAGGSA-N 1 0 295.358 3.266 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C1CC1 ZINC000449440881 373717642 /nfs/dbraw/zinc/71/76/42/373717642.db2.gz NMUQKENRSSKHIE-NXIHDVOMSA-N 1 0 260.337 3.386 20 5 CGBDRO CC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000301268097 373720991 /nfs/dbraw/zinc/72/09/91/373720991.db2.gz MUSHPLJDNVCESR-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000449453005 373738158 /nfs/dbraw/zinc/73/81/58/373738158.db2.gz VTWFVBLBPIXTLZ-OSFYFWSMSA-N 1 0 290.388 3.300 20 5 CGBDRO CC/C=C\C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000449459508 373743069 /nfs/dbraw/zinc/74/30/69/373743069.db2.gz QGTWSZDNOPXMJL-WAYWQWQTSA-N 1 0 264.325 3.049 20 5 CGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178721966 373805913 /nfs/dbraw/zinc/80/59/13/373805913.db2.gz QSOVESRFRLSDKS-GHMZBOCLSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1cccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302510964 373885795 /nfs/dbraw/zinc/88/57/95/373885795.db2.gz SOMVKXGZTZDDGS-OLZOCXBDSA-N 1 0 277.368 3.188 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000449761351 373889195 /nfs/dbraw/zinc/88/91/95/373889195.db2.gz WTWNUYXWLOQVJG-GDBMZVCRSA-N 1 0 292.379 3.341 20 5 CGBDRO CC[C@H]([NH2+]CC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000180201596 373976584 /nfs/dbraw/zinc/97/65/84/373976584.db2.gz DEWZZKPRPQJYRN-AWEZNQCLSA-N 1 0 278.352 3.205 20 5 CGBDRO CCC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000308696685 374173686 /nfs/dbraw/zinc/17/36/86/374173686.db2.gz RMRQMPONLSHWKI-UHFFFAOYSA-N 1 0 284.331 3.029 20 5 CGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000311046725 374230895 /nfs/dbraw/zinc/23/08/95/374230895.db2.gz HKRABECNHBENLQ-UHFFFAOYSA-N 1 0 252.289 3.156 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000182740581 374318919 /nfs/dbraw/zinc/31/89/19/374318919.db2.gz PQYSLPMXKXCPGH-OLZOCXBDSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C)[C@@H]1C ZINC000183355454 374405316 /nfs/dbraw/zinc/40/53/16/374405316.db2.gz SBPLQHWBJZXDRS-RYUDHWBXSA-N 1 0 280.393 3.229 20 5 CGBDRO CC[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000183355676 374405940 /nfs/dbraw/zinc/40/59/40/374405940.db2.gz JGROKSGCNKUNDZ-CQSZACIVSA-N 1 0 280.393 3.231 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453355075 374442894 /nfs/dbraw/zinc/44/28/94/374442894.db2.gz HHAUTKPZVDJVBY-DGFSRKRXSA-N 1 0 260.337 3.292 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000453375231 374461209 /nfs/dbraw/zinc/46/12/09/374461209.db2.gz IAHCYLPWWZLGIP-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000330663138 374488628 /nfs/dbraw/zinc/48/86/28/374488628.db2.gz UWZUMPNQRQXJTB-STQMWFEESA-N 1 0 278.352 3.123 20 5 CGBDRO CC[C@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000331122949 374506621 /nfs/dbraw/zinc/50/66/21/374506621.db2.gz XZVTZMXRVBKQKM-ZFWWWQNUSA-N 1 0 292.379 3.198 20 5 CGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000331052680 374499538 /nfs/dbraw/zinc/49/95/38/374499538.db2.gz JHQSVARXRQEGPU-RYUDHWBXSA-N 1 0 294.399 3.023 20 5 CGBDRO C/C=C/C[C@@H](CO)[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186504154 374863048 /nfs/dbraw/zinc/86/30/48/374863048.db2.gz JMXJZJZGNJYJCV-ICGFCLIJSA-N 1 0 292.379 3.353 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1(O)CCCCCC1 ZINC000187327355 375003817 /nfs/dbraw/zinc/00/38/17/375003817.db2.gz HJWUJDZLNNCSJT-UHFFFAOYSA-N 1 0 292.379 3.112 20 5 CGBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472295891 375018167 /nfs/dbraw/zinc/01/81/67/375018167.db2.gz PDHSORUHGFIXAW-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H](C[NH+]1CCCCCC1)NCc1csc([N+](=O)[O-])c1 ZINC000187565435 375042415 /nfs/dbraw/zinc/04/24/15/375042415.db2.gz KHOHUWGOFOMAES-LBPRGKRZSA-N 1 0 297.424 3.010 20 5 CGBDRO CC(C)[N@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879302 375286096 /nfs/dbraw/zinc/28/60/96/375286096.db2.gz GJVPOBDQODVWGC-MRXNPFEDSA-N 1 0 292.379 3.374 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C ZINC000487976527 375290017 /nfs/dbraw/zinc/29/00/17/375290017.db2.gz ULRNGSUXNUEIGS-YPMHNXCESA-N 1 0 298.408 3.293 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000191851908 375670119 /nfs/dbraw/zinc/67/01/19/375670119.db2.gz KXJQZEWWPBPQIJ-AWEZNQCLSA-N 1 0 296.342 3.411 20 5 CGBDRO CCC[N@H+](CC)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000224416325 376280223 /nfs/dbraw/zinc/28/02/23/376280223.db2.gz PBPZQMJXHYPHHY-MRXNPFEDSA-N 1 0 293.411 3.367 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000539510197 376316072 /nfs/dbraw/zinc/31/60/72/376316072.db2.gz QPONFKVEYLIOCR-BAESOJJISA-N 1 0 292.379 3.305 20 5 CGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000540686692 376391249 /nfs/dbraw/zinc/39/12/49/376391249.db2.gz WPVZNKHRSCOTLI-NILFDRSVSA-N 1 0 292.379 3.052 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000230418905 376519007 /nfs/dbraw/zinc/51/90/07/376519007.db2.gz HIJHSZGVZYKTEC-RYUDHWBXSA-N 1 0 278.352 3.129 20 5 CGBDRO CC(C)[C@H]1CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543396293 376635926 /nfs/dbraw/zinc/63/59/26/376635926.db2.gz FUFYMVNDIDOPTI-CYBMUJFWSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860171 376684196 /nfs/dbraw/zinc/68/41/96/376684196.db2.gz RNXAFRJKJPDFMF-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543860170 376685045 /nfs/dbraw/zinc/68/50/45/376685045.db2.gz RNXAFRJKJPDFMF-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000340102207 376917087 /nfs/dbraw/zinc/91/70/87/376917087.db2.gz CLKUVFSQYWTHHX-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000340420135 377049400 /nfs/dbraw/zinc/04/94/00/377049400.db2.gz KUNIRRLFWACVGD-NSHDSACASA-N 1 0 286.278 3.084 20 5 CGBDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248184221 377276598 /nfs/dbraw/zinc/27/65/98/377276598.db2.gz XATXJABEOLYQLL-CJNGLKHVSA-N 1 0 291.395 3.120 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C(C)C ZINC000563367866 377453631 /nfs/dbraw/zinc/45/36/31/377453631.db2.gz SYOUHOXISPTBBP-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO CC[C@@H]([NH2+]CCC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573844964 377583169 /nfs/dbraw/zinc/58/31/69/377583169.db2.gz PEUDFJZDIWTFQE-OAHLLOKOSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[C@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516994501 249253325 /nfs/dbraw/zinc/25/33/25/249253325.db2.gz QSSOUFLANBKDNE-NHYWBVRUSA-N 1 0 287.363 3.397 20 5 CGBDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000252196434 377617799 /nfs/dbraw/zinc/61/77/99/377617799.db2.gz VOSHELWIFHSFPY-IJLUTSLNSA-N 1 0 278.352 3.201 20 5 CGBDRO C[C@@H]1C[C@@H](N[C@H]2CCc3c2cccc3[N+](=O)[O-])c2nccn21 ZINC000574339516 377649831 /nfs/dbraw/zinc/64/98/31/377649831.db2.gz SGWPLWSDWSSXQX-DDTOSNHZSA-N 1 0 298.346 3.074 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000343107479 377904698 /nfs/dbraw/zinc/90/46/98/377904698.db2.gz RBNVBCATUTZHNF-LBPRGKRZSA-N 1 0 293.342 3.163 20 5 CGBDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268890190 378144122 /nfs/dbraw/zinc/14/41/22/378144122.db2.gz CSXVMLBZNQDZDI-ZDUSSCGKSA-N 1 0 292.379 3.188 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC=C(c2ccccn2)C1 ZINC000580272465 378236205 /nfs/dbraw/zinc/23/62/05/378236205.db2.gz GIHIHZGAXUCVKF-UHFFFAOYSA-N 1 0 295.342 3.279 20 5 CGBDRO Cc1ccc(C[N@@H+](C)CCCOC(C)C)cc1[N+](=O)[O-] ZINC000271182998 378475746 /nfs/dbraw/zinc/47/57/46/378475746.db2.gz IKRMDQMRXKXUSL-UHFFFAOYSA-N 1 0 280.368 3.150 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000346575496 378629184 /nfs/dbraw/zinc/62/91/84/378629184.db2.gz PDVREBIJJPCVJQ-QMTHXVAHSA-N 1 0 278.352 3.443 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000346575494 378630009 /nfs/dbraw/zinc/63/00/09/378630009.db2.gz PDVREBIJJPCVJQ-HZMBPMFUSA-N 1 0 278.352 3.443 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC2(CCC2)C1 ZINC000348170131 378820668 /nfs/dbraw/zinc/82/06/68/378820668.db2.gz QZYOHWQCRBAWKX-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278692087 194106834 /nfs/dbraw/zinc/10/68/34/194106834.db2.gz MWFVOUOKFFRBTP-GHMZBOCLSA-N 1 0 288.351 3.139 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NCC1CC[NH+](C2CC2)CC1 ZINC000277689616 379217697 /nfs/dbraw/zinc/21/76/97/379217697.db2.gz GMHDIYCPROCIFA-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC12CCC2 ZINC000373095584 379220519 /nfs/dbraw/zinc/22/05/19/379220519.db2.gz SOLFXMIPCLPMLC-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000266633092 190272423 /nfs/dbraw/zinc/27/24/23/190272423.db2.gz QNCADKSBGAWEKR-ZDUSSCGKSA-N 1 0 286.759 3.009 20 5 CGBDRO C[C@H]([NH2+]CC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266768574 190279820 /nfs/dbraw/zinc/27/98/20/190279820.db2.gz IMKIEMOAAWXAON-ZDUSSCGKSA-N 1 0 292.379 3.188 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000280276159 379663679 /nfs/dbraw/zinc/66/36/79/379663679.db2.gz YFRSEDUJKOZCEH-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000280295592 379669003 /nfs/dbraw/zinc/66/90/03/379669003.db2.gz VDBAZYCYTVZJQV-CHWSQXEVSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352426179 379812070 /nfs/dbraw/zinc/81/20/70/379812070.db2.gz RHKVJZCBELAVAC-LLVKDONJSA-N 1 0 266.341 3.081 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352769578 379949991 /nfs/dbraw/zinc/94/99/91/379949991.db2.gz NNWFAUCHQYOTDJ-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000352847487 380002315 /nfs/dbraw/zinc/00/23/15/380002315.db2.gz CXKKXNSGTNWTTM-ZBFHGGJFSA-N 1 0 292.379 3.136 20 5 CGBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414478793 380255133 /nfs/dbraw/zinc/25/51/33/380255133.db2.gz GYNNCFYOPGZGLE-CYBMUJFWSA-N 1 0 294.395 3.480 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)COC(C)C ZINC000414554894 380318202 /nfs/dbraw/zinc/31/82/02/380318202.db2.gz SVKQJOJPNYVVOK-UHFFFAOYSA-N 1 0 280.368 3.196 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1F ZINC000414515702 380290608 /nfs/dbraw/zinc/29/06/08/380290608.db2.gz UYXWGTXYPJJHDX-ZIAGYGMSSA-N 1 0 266.316 3.274 20 5 CGBDRO CCCC[C@H](CN)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819501 380429928 /nfs/dbraw/zinc/42/99/28/380429928.db2.gz YXFGYNZKGWWJFM-UKRRQHHQSA-N 1 0 293.411 3.023 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](CO)CC2CCCCC2)cc1 ZINC000418129111 380707856 /nfs/dbraw/zinc/70/78/56/380707856.db2.gz RPFPUGIDWDLASP-OAHLLOKOSA-N 1 0 292.379 3.016 20 5 CGBDRO CO[C@@H](CC(C)C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000419275253 380792497 /nfs/dbraw/zinc/79/24/97/380792497.db2.gz YOYJWDWWKNINCN-INIZCTEOSA-N 1 0 294.395 3.130 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCSC1 ZINC000288535638 197106734 /nfs/dbraw/zinc/10/67/34/197106734.db2.gz WGCIRYZXLKKGQC-LPZVBRGNSA-N 1 0 292.404 3.341 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421354193 380892910 /nfs/dbraw/zinc/89/29/10/380892910.db2.gz QZYQHVYQERLZSI-CYBMUJFWSA-N 1 0 292.404 3.218 20 5 CGBDRO C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000357717766 381264242 /nfs/dbraw/zinc/26/42/42/381264242.db2.gz SIMBTZASXNKLFZ-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000361346872 381709159 /nfs/dbraw/zinc/70/91/59/381709159.db2.gz REYVVXVZIKDNHH-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CCCCN(C)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361400698 381732640 /nfs/dbraw/zinc/73/26/40/381732640.db2.gz RBOXHYSFCRGBBY-INIZCTEOSA-N 1 0 293.411 3.367 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000361649680 381858374 /nfs/dbraw/zinc/85/83/74/381858374.db2.gz FZYIAGMCCNZEAM-NSHDSACASA-N 1 0 296.342 3.365 20 5 CGBDRO C[C@H]1CCSCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361647675 381858736 /nfs/dbraw/zinc/85/87/36/381858736.db2.gz ZSJWNCONWQVDLR-AGLBCWCQSA-N 1 0 292.404 3.435 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775691 184542291 /nfs/dbraw/zinc/54/22/91/184542291.db2.gz HWTREISNCZKUMI-VXGBXAGGSA-N 1 0 280.368 3.449 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000301197099 285122717 /nfs/dbraw/zinc/12/27/17/285122717.db2.gz ONYWFPFSRXYZHF-MRXNPFEDSA-N 1 0 289.379 3.050 20 5 CGBDRO Cc1ccncc1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000289197057 197260038 /nfs/dbraw/zinc/26/00/38/197260038.db2.gz HJOZDMWNNVQTNH-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281255669 195170721 /nfs/dbraw/zinc/17/07/21/195170721.db2.gz WHDONONIQTVSHL-GDBMZVCRSA-N 1 0 292.379 3.187 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190933884 533439760 /nfs/dbraw/zinc/43/97/60/533439760.db2.gz NFNSXDYJQJMHBI-UONOGXRCSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1[nH+]ccc(NCCc2cccc([N+](=O)[O-])c2)c1Cl ZINC000355090924 533639823 /nfs/dbraw/zinc/63/98/23/533639823.db2.gz HMMFVKVNEFGLPT-UHFFFAOYSA-N 1 0 291.738 3.028 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](C)SC)cc1[N+](=O)[O-] ZINC000090725451 392229902 /nfs/dbraw/zinc/22/99/02/392229902.db2.gz QMAMRNXIGAZNCQ-MNOVXSKESA-N 1 0 298.408 3.396 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109544477 392365842 /nfs/dbraw/zinc/36/58/42/392365842.db2.gz KSQKHNKFKQNNLR-ZFWWWQNUSA-N 1 0 278.352 3.205 20 5 CGBDRO CC1(C)CC(Nc2sccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000301978981 392605564 /nfs/dbraw/zinc/60/55/64/392605564.db2.gz FKPGHWDIODWCQE-UHFFFAOYSA-N 1 0 283.397 3.377 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000178161509 392673526 /nfs/dbraw/zinc/67/35/26/392673526.db2.gz YOGLRDLCBBMNKM-UHFFFAOYSA-N 1 0 292.383 3.019 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000511073846 392826527 /nfs/dbraw/zinc/82/65/27/392826527.db2.gz NGVSIAYTDXJKBC-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@@H]1CCSCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191811673 392833876 /nfs/dbraw/zinc/83/38/76/392833876.db2.gz ZSJWNCONWQVDLR-DIECRNLCSA-N 1 0 292.404 3.435 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000337424556 392884571 /nfs/dbraw/zinc/88/45/71/392884571.db2.gz RMHRZXCHOVUHRP-SKDRFNHKSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1cc(NC2CC[NH+](CC3CC3)CC2)ccc1[N+](=O)[O-] ZINC000194090212 392901382 /nfs/dbraw/zinc/90/13/82/392901382.db2.gz HNVMSJRSAZISDS-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459655885 392947855 /nfs/dbraw/zinc/94/78/55/392947855.db2.gz GLBMSPHKZUYBHO-AEGPPILISA-N 1 0 292.379 3.071 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccco1 ZINC000468620922 393155475 /nfs/dbraw/zinc/15/54/75/393155475.db2.gz PEZSYVIEVCOXRT-JLHYYAGUSA-N 1 0 286.331 3.423 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278249062 393316185 /nfs/dbraw/zinc/31/61/85/393316185.db2.gz OYANIOHFBTVFLT-ZDUSSCGKSA-N 1 0 293.323 3.123 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@H](C)C1 ZINC000475550119 393407482 /nfs/dbraw/zinc/40/74/82/393407482.db2.gz UZKYLHORCNYZFL-AAEUAGOBSA-N 1 0 262.353 3.429 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000430216418 393542340 /nfs/dbraw/zinc/54/23/40/393542340.db2.gz HCTQCRPQBYXJHG-SMDDNHRTSA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429765897 393501061 /nfs/dbraw/zinc/50/10/61/393501061.db2.gz LTUVRWXYYWILNP-DOMZBBRYSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199480 393538526 /nfs/dbraw/zinc/53/85/26/393538526.db2.gz BVIULWIKKAHHHP-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000443072670 393742723 /nfs/dbraw/zinc/74/27/23/393742723.db2.gz VPOAUWWRILTQPS-RLWBPUTGSA-N 1 0 290.363 3.107 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492580597 393757805 /nfs/dbraw/zinc/75/78/05/393757805.db2.gz FOQJVJPIKWUOBV-CQSZACIVSA-N 1 0 290.363 3.225 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492626969 393764715 /nfs/dbraw/zinc/76/47/15/393764715.db2.gz BWOBDEJFEPRCRY-AWEZNQCLSA-N 1 0 292.379 3.471 20 5 CGBDRO CC(C)C[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000500460197 393829011 /nfs/dbraw/zinc/82/90/11/393829011.db2.gz UQVAJDWLOUBCRZ-OAHLLOKOSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000449411838 393880188 /nfs/dbraw/zinc/88/01/88/393880188.db2.gz AMVYEPCNCMVYKI-HNNXBMFYSA-N 1 0 292.379 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543121 393892590 /nfs/dbraw/zinc/89/25/90/393892590.db2.gz SCQGQCGCEWIOGR-HZPDHXFCSA-N 1 0 272.348 3.215 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453248005 394219021 /nfs/dbraw/zinc/21/90/21/394219021.db2.gz KNFWBZSUJIJQGU-HOCLYGCPSA-N 1 0 292.379 3.377 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453622930 394260824 /nfs/dbraw/zinc/26/08/24/394260824.db2.gz AZLYSXWUQITFQO-TZMCWYRMSA-N 1 0 292.379 3.375 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000068828814 165047495 /nfs/dbraw/zinc/04/74/95/165047495.db2.gz DMGISRJJWPNKML-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359730 165232582 /nfs/dbraw/zinc/23/25/82/165232582.db2.gz GPLHXTPQDLDCTB-UWVGGRQHSA-N 1 0 281.312 3.027 20 5 CGBDRO COc1cc(C[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])cc1OC ZINC000092217644 165288303 /nfs/dbraw/zinc/28/83/03/165288303.db2.gz PMFMZYBUYAZFDE-UHFFFAOYSA-N 1 0 296.367 3.090 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2cccs2)cc1[N+](=O)[O-] ZINC000035009704 171927385 /nfs/dbraw/zinc/92/73/85/171927385.db2.gz FTZHWDQRUGLRLX-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO COc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176841 173010471 /nfs/dbraw/zinc/01/04/71/173010471.db2.gz HLIYCPQTLSQGTC-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO Cc1nc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000040675982 174373937 /nfs/dbraw/zinc/37/39/37/174373937.db2.gz ZZOVSJTZSPCFJC-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000127756906 287295270 /nfs/dbraw/zinc/29/52/70/287295270.db2.gz BTNUNBDXNWLRRB-WEVVVXLNSA-N 1 0 260.337 3.340 20 5 CGBDRO C[N@@H+]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044537704 175200171 /nfs/dbraw/zinc/20/01/71/175200171.db2.gz ATAMKNKANYOULY-SNVBAGLBSA-N 1 0 283.759 3.002 20 5 CGBDRO CC(C)(C)OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130849735 287364969 /nfs/dbraw/zinc/36/49/69/287364969.db2.gz DTYPIIKXMDRHQF-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO CC[NH2+][C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180008231 260086715 /nfs/dbraw/zinc/08/67/15/260086715.db2.gz MHBQCPIQZMLQTO-OAHLLOKOSA-N 1 0 256.305 3.294 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000322621296 270093964 /nfs/dbraw/zinc/09/39/64/270093964.db2.gz NQVSYIBISWAVMH-IUODEOHRSA-N 1 0 280.368 3.369 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324683071 270094422 /nfs/dbraw/zinc/09/44/22/270094422.db2.gz AYEDCJOKQYPYBG-MRXNPFEDSA-N 1 0 290.363 3.272 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000530902535 270203585 /nfs/dbraw/zinc/20/35/85/270203585.db2.gz LCBLBCUZGKALLY-LBPRGKRZSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531958983 270211579 /nfs/dbraw/zinc/21/15/79/270211579.db2.gz JZGGQSOFKKJUEB-UONOGXRCSA-N 1 0 293.411 3.284 20 5 CGBDRO Cn1ccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278707853 274895351 /nfs/dbraw/zinc/89/53/51/274895351.db2.gz LJNCDFFNEXBFFU-MRXNPFEDSA-N 1 0 285.347 3.101 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CCC1)CCC2 ZINC000192744679 275038052 /nfs/dbraw/zinc/03/80/52/275038052.db2.gz BJZIBNMRQVVXNW-OAHLLOKOSA-N 1 0 260.337 3.362 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC1CC1)CCCC2 ZINC000417306353 275038070 /nfs/dbraw/zinc/03/80/70/275038070.db2.gz CGRORUOSGJYHHI-OAHLLOKOSA-N 1 0 260.337 3.362 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccccc2C1 ZINC000048436729 275040098 /nfs/dbraw/zinc/04/00/98/275040098.db2.gz BFQVYVYVOWYWOA-INIZCTEOSA-N 1 0 282.343 3.242 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000516978639 275830315 /nfs/dbraw/zinc/83/03/15/275830315.db2.gz GHBFQDFHOGBQPS-RISCZKNCSA-N 1 0 290.363 3.129 20 5 CGBDRO CC1(C)C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582158 275870804 /nfs/dbraw/zinc/87/08/04/275870804.db2.gz YGKJTVLRIIYNMR-UONOGXRCSA-N 1 0 260.337 3.360 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266571963 276115001 /nfs/dbraw/zinc/11/50/01/276115001.db2.gz DKMGGNHPUGYCEV-ZIAGYGMSSA-N 1 0 291.395 3.072 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000421847002 277474347 /nfs/dbraw/zinc/47/43/47/277474347.db2.gz VRURYWHWZVAFAE-LBPRGKRZSA-N 1 0 278.352 3.032 20 5 CGBDRO COC[C@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433153129 277584371 /nfs/dbraw/zinc/58/43/71/277584371.db2.gz OMJOSVMJNASLEN-IAQYHMDHSA-N 1 0 292.379 3.189 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000397019123 288020453 /nfs/dbraw/zinc/02/04/53/288020453.db2.gz HGAKLXUIFWXXBZ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000397934923 288035360 /nfs/dbraw/zinc/03/53/60/288035360.db2.gz RLUULMUJNHSGNN-NTZNESFSSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000125361171 278362419 /nfs/dbraw/zinc/36/24/19/278362419.db2.gz WVVJMSIPYPFGMY-NEPJUHHUSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](F)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340461254 279390678 /nfs/dbraw/zinc/39/06/78/279390678.db2.gz MHEYUTSZFWMSHA-HZMBPMFUSA-N 1 0 266.316 3.310 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000125360947 279495884 /nfs/dbraw/zinc/49/58/84/279495884.db2.gz WVVJMSIPYPFGMY-RYUDHWBXSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)CC ZINC000453384156 280196458 /nfs/dbraw/zinc/19/64/58/280196458.db2.gz UHAZCPHKQGWLLA-KYOSRNDESA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000245513436 281020399 /nfs/dbraw/zinc/02/03/99/281020399.db2.gz AKJYZTBPUOEGGE-GXTWGEPZSA-N 1 0 278.352 3.075 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]1Cc1ccccc1 ZINC000531232709 288331213 /nfs/dbraw/zinc/33/12/13/288331213.db2.gz QPXFPCKLIWWBKO-MRXNPFEDSA-N 1 0 282.343 3.412 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000549545514 289046161 /nfs/dbraw/zinc/04/61/61/289046161.db2.gz XPQJZUJATOWHGT-WPGHFRTFSA-N 1 0 290.363 3.311 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[C@@H]2F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000549698389 289050873 /nfs/dbraw/zinc/05/08/73/289050873.db2.gz BYRSIAZDSLVHBF-GXTWGEPZSA-N 1 0 289.310 3.176 20 5 CGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000347754250 289148125 /nfs/dbraw/zinc/14/81/25/289148125.db2.gz MWMRCPATTDYUFM-UHFFFAOYSA-N 1 0 299.374 3.163 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000553333486 289219827 /nfs/dbraw/zinc/21/98/27/289219827.db2.gz YFBLFVDQLIVNHZ-DIOULYMOSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247255539 290009294 /nfs/dbraw/zinc/00/92/94/290009294.db2.gz YPGYQBHZMGZLFL-JGGQBBKZSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000161576071 321869995 /nfs/dbraw/zinc/86/99/95/321869995.db2.gz AYBVSGQCOPFHDI-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000563365173 321993296 /nfs/dbraw/zinc/99/32/96/321993296.db2.gz AUBBKFPZODQBGV-GFCCVEGCSA-N 1 0 275.308 3.014 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000564783222 322042575 /nfs/dbraw/zinc/04/25/75/322042575.db2.gz GCXJRXNOJJJABA-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000565219510 322067375 /nfs/dbraw/zinc/06/73/75/322067375.db2.gz XXBBRSALYQLDRF-SQWLQELKSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CS1 ZINC000566475606 322124965 /nfs/dbraw/zinc/12/49/65/322124965.db2.gz NGRZZBLAJJDTQK-GIPNMCIBSA-N 1 0 278.377 3.066 20 5 CGBDRO Cc1ncc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000569118261 322235570 /nfs/dbraw/zinc/23/55/70/322235570.db2.gz PIGULLXCJKYXRR-CYBMUJFWSA-N 1 0 289.360 3.137 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCc1ccccn1 ZINC000569137618 322236303 /nfs/dbraw/zinc/23/63/03/322236303.db2.gz FWEPYWRAYCCOSN-INIZCTEOSA-N 1 0 297.358 3.200 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573097611 322369917 /nfs/dbraw/zinc/36/99/17/322369917.db2.gz NOBNJNBQUHFGEE-XEZPLFJOSA-N 1 0 294.395 3.351 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578642994 335658059 /nfs/dbraw/zinc/65/80/59/335658059.db2.gz JIXMCGANXLFUSB-CQSZACIVSA-N 1 0 292.379 3.234 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(CF)CCC1 ZINC000581549473 336100628 /nfs/dbraw/zinc/10/06/28/336100628.db2.gz UHFAUGPEIAVFGF-LBPRGKRZSA-N 1 0 280.343 3.398 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC3CCC2CC3)c(F)c1 ZINC000383381830 336108266 /nfs/dbraw/zinc/10/82/66/336108266.db2.gz NGVKWVDWVFUPEN-NWHVRFAMSA-N 1 0 278.327 3.402 20 5 CGBDRO COC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000086696863 522361128 /nfs/dbraw/zinc/36/11/28/522361128.db2.gz NJMVUKAXXWBZPW-CYBMUJFWSA-N 1 0 286.759 3.009 20 5 CGBDRO Cc1ccoc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334750 534446249 /nfs/dbraw/zinc/44/62/49/534446249.db2.gz GNBQFPLUWIKELD-LBPRGKRZSA-N 1 0 274.320 3.217 20 5 CGBDRO CC[C@H]([NH2+][C@H](COC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000086695627 522747291 /nfs/dbraw/zinc/74/72/91/522747291.db2.gz UHDRVTYLXISVOY-LSDHHAIUSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773707 524427430 /nfs/dbraw/zinc/42/74/30/524427430.db2.gz BQUFOJIMMUOUHV-BXKDBHETSA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCCS2)cs1 ZINC000158016297 527331483 /nfs/dbraw/zinc/33/14/83/527331483.db2.gz LAVHJOXYPBWOEV-SNVBAGLBSA-N 1 0 272.395 3.032 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000094371421 527401326 /nfs/dbraw/zinc/40/13/26/527401326.db2.gz MELMUQAWVADGPJ-AWEZNQCLSA-N 1 0 290.363 3.176 20 5 CGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087409015 527700253 /nfs/dbraw/zinc/70/02/53/527700253.db2.gz PWYRFMGVBATKNZ-MNOVXSKESA-N 1 0 288.351 3.049 20 5 CGBDRO CC(F)(F)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449354158 528729882 /nfs/dbraw/zinc/72/98/82/528729882.db2.gz KTACEMBTJKHXPR-XQRVVYSFSA-N 1 0 270.279 3.243 20 5 CGBDRO CCC([NH3+])(CC)CN[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423290402 528950843 /nfs/dbraw/zinc/95/08/43/528950843.db2.gz ZZRKCZBVIYUPRJ-OAHLLOKOSA-N 1 0 291.395 3.079 20 5 CGBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@H](C)OC ZINC000462824598 535765813 /nfs/dbraw/zinc/76/58/13/535765813.db2.gz FHOFMYVQPCSTNU-XXYUJHKVSA-N 1 0 292.379 3.355 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000750074371 573078971 /nfs/dbraw/zinc/07/89/71/573078971.db2.gz XKUYCUWSOZMDFX-DLBZAZTESA-N 1 0 298.342 3.075 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000050163632 618060776 /nfs/dbraw/zinc/06/07/76/618060776.db2.gz WZAUNQWBHXPYPU-ZJUUUORDSA-N 1 0 283.759 3.048 20 5 CGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000050163629 618061250 /nfs/dbraw/zinc/06/12/50/618061250.db2.gz WZAUNQWBHXPYPU-VHSXEESVSA-N 1 0 283.759 3.048 20 5 CGBDRO CCCC[N@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000051266777 618240106 /nfs/dbraw/zinc/24/01/06/618240106.db2.gz VMFVGSQAGBGLHO-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO COc1c(O)ccc(C[N@H+](C)[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000891670722 618245063 /nfs/dbraw/zinc/24/50/63/618245063.db2.gz IPXHKEPHPSSJGU-SNVBAGLBSA-N 1 0 296.367 3.175 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000050443429 618642747 /nfs/dbraw/zinc/64/27/47/618642747.db2.gz LRQQMYQMAARAQC-MRVPVSSYSA-N 1 0 254.717 3.136 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](c2ccncc2)C2CC2)cs1 ZINC000934688611 618669580 /nfs/dbraw/zinc/66/95/80/618669580.db2.gz RDQSZNCZFVQNFT-AWEZNQCLSA-N 1 0 289.360 3.292 20 5 CGBDRO O=[N+]([O-])c1cc(CNc2[nH+]ccn2C2CC2)ccc1Cl ZINC000840886342 618888075 /nfs/dbraw/zinc/88/80/75/618888075.db2.gz CLLQBLOQWMRBSB-UHFFFAOYSA-N 1 0 292.726 3.392 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOC1CCCC1 ZINC000111637451 619193634 /nfs/dbraw/zinc/19/36/34/619193634.db2.gz VBQZGXSVQLGRMH-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)O1 ZINC000840962656 619281778 /nfs/dbraw/zinc/28/17/78/619281778.db2.gz DXWKCIORLIMIQM-FOGDFJRCSA-N 1 0 298.770 3.151 20 5 CGBDRO C[NH+](C)CC[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000895325309 619805398 /nfs/dbraw/zinc/80/53/98/619805398.db2.gz PHHJVFPBBYQQAY-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925156131 620207028 /nfs/dbraw/zinc/20/70/28/620207028.db2.gz ZABLISTXKWKPDU-GDBMZVCRSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@H](C[NH2+]C1CC(CF)(CF)C1)c1ccccc1[N+](=O)[O-] ZINC000897461482 620339917 /nfs/dbraw/zinc/33/99/17/620339917.db2.gz QHPKMEAMMKQEFE-LLVKDONJSA-N 1 0 298.333 3.376 20 5 CGBDRO C[C@H](C[NH2+]CC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000897461576 620339951 /nfs/dbraw/zinc/33/99/51/620339951.db2.gz SDJVWNNAAPKTKX-GFCCVEGCSA-N 1 0 294.420 3.431 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461071 620340076 /nfs/dbraw/zinc/34/00/76/620340076.db2.gz YJIQBMIYPKVLIU-QWHCGFSZSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H](C[NH2+]Cc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000897470079 620342143 /nfs/dbraw/zinc/34/21/43/620342143.db2.gz XSXGEKYOJSYREG-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000897799748 620434655 /nfs/dbraw/zinc/43/46/55/620434655.db2.gz KPFAWUYJAFZWNW-GFCCVEGCSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000901669041 620975999 /nfs/dbraw/zinc/97/59/99/620975999.db2.gz GFJAJJAQMPGJJD-HQRZJTNHSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000252688110 625465473 /nfs/dbraw/zinc/46/54/73/625465473.db2.gz NFFVNNFDEZZTNG-DMEJVMROSA-N 1 0 292.379 3.043 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000042553852 621183827 /nfs/dbraw/zinc/18/38/27/621183827.db2.gz LSACJPPZFXXLGR-PWSUYJOCSA-N 1 0 250.342 3.427 20 5 CGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000903080007 621561170 /nfs/dbraw/zinc/56/11/70/621561170.db2.gz HKPFHIHVYNONCB-HUUCEWRRSA-N 1 0 292.379 3.341 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CSC)cc([N+](=O)[O-])c1 ZINC000903098462 621571960 /nfs/dbraw/zinc/57/19/60/621571960.db2.gz PESVVRGPTFWIIO-VHSXEESVSA-N 1 0 284.381 3.006 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286915 621669763 /nfs/dbraw/zinc/66/97/63/621669763.db2.gz JFQYMDMUOIDTAR-YRGRVCCFSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cncs1 ZINC000903309637 621682908 /nfs/dbraw/zinc/68/29/08/621682908.db2.gz FXJHGQBNRBGYRP-RKDXNWHRSA-N 1 0 292.364 3.045 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903331824 621706585 /nfs/dbraw/zinc/70/65/85/621706585.db2.gz NZNINONSWCKYFI-VHSXEESVSA-N 1 0 284.331 3.198 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cncc([C@H]2CCC[NH2+]2)c1 ZINC000906174052 622168819 /nfs/dbraw/zinc/16/88/19/622168819.db2.gz WDTRQLJZUVDIIK-CQSZACIVSA-N 1 0 287.294 3.220 20 5 CGBDRO CC[NH+](CC)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000045692070 622886931 /nfs/dbraw/zinc/88/69/31/622886931.db2.gz UJWWLRWKTPWFCA-NSHDSACASA-N 1 0 299.802 3.068 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000045692067 622886975 /nfs/dbraw/zinc/88/69/75/622886975.db2.gz UJWWLRWKTPWFCA-LLVKDONJSA-N 1 0 299.802 3.068 20 5 CGBDRO C[C@H]1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC000227845292 623032970 /nfs/dbraw/zinc/03/29/70/623032970.db2.gz NFFVNNFDEZZTNG-XHBSWPGZSA-N 1 0 292.379 3.043 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883948 623347544 /nfs/dbraw/zinc/34/75/44/623347544.db2.gz GPURQAWLSZTWHX-LLVKDONJSA-N 1 0 280.368 3.196 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174833775 624239448 /nfs/dbraw/zinc/23/94/48/624239448.db2.gz FPFVWLUIQVTYDI-VIFPVBQESA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1nc(F)ccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922538807 626011424 /nfs/dbraw/zinc/01/14/24/626011424.db2.gz WFMDIWWTOBIRAY-SNVBAGLBSA-N 1 0 289.310 3.288 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cc1[N+](=O)[O-] ZINC000922732958 626041061 /nfs/dbraw/zinc/04/10/61/626041061.db2.gz YNEIMTIEXBCPJZ-WDEREUQCSA-N 1 0 288.269 3.191 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000922834991 626053224 /nfs/dbraw/zinc/05/32/24/626053224.db2.gz XFQLZSURLUUDSA-MFKMUULPSA-N 1 0 280.393 3.277 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(F)F ZINC000842890692 626267494 /nfs/dbraw/zinc/26/74/94/626267494.db2.gz RQIGNCNELFPGMB-BDAKNGLRSA-N 1 0 287.310 3.119 20 5 CGBDRO O=[N+]([O-])c1ccc2nc(N3CCc4c[nH+]ccc43)sc2c1 ZINC000756969330 626744297 /nfs/dbraw/zinc/74/42/97/626744297.db2.gz JUTQYIDUHFHAEY-UHFFFAOYSA-N 1 0 298.327 3.294 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000760882500 626999508 /nfs/dbraw/zinc/99/95/08/626999508.db2.gz XQKTXUHNIYZSKU-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511745 627047233 /nfs/dbraw/zinc/04/72/33/627047233.db2.gz OWNKKSAVVOMNAR-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+](CCCCCCO)C2CC2)c1 ZINC000768544950 627485759 /nfs/dbraw/zinc/48/57/59/627485759.db2.gz VTLPDGPQOYWXDA-UHFFFAOYSA-N 1 0 292.379 3.112 20 5 CGBDRO Cc1ncc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000771904243 627743479 /nfs/dbraw/zinc/74/34/79/627743479.db2.gz UPKDJTZKKAVISM-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO CCCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774113271 627946882 /nfs/dbraw/zinc/94/68/82/627946882.db2.gz VBFBLPJULMRWSC-ZIAGYGMSSA-N 1 0 294.399 3.445 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774907278 628049200 /nfs/dbraw/zinc/04/92/00/628049200.db2.gz BPLXQQIURJIZTC-AWEZNQCLSA-N 1 0 293.323 3.125 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000783679577 628738743 /nfs/dbraw/zinc/73/87/43/628738743.db2.gz KQVCBRJMIMHPOQ-NSHDSACASA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000785605705 628873345 /nfs/dbraw/zinc/87/33/45/628873345.db2.gz HGOUUMYGMPGQRT-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497710 629059395 /nfs/dbraw/zinc/05/93/95/629059395.db2.gz JQUHYMMCRDJJCL-JTQLQIEISA-N 1 0 289.310 3.167 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602455 629068525 /nfs/dbraw/zinc/06/85/25/629068525.db2.gz NQRNNYJHEWFFEW-DGCLKSJQSA-N 1 0 295.383 3.033 20 5 CGBDRO CC(C)CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788644177 629070570 /nfs/dbraw/zinc/07/05/70/629070570.db2.gz RHODDIQWSNRQQT-NSHDSACASA-N 1 0 265.357 3.264 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788803570 629083214 /nfs/dbraw/zinc/08/32/14/629083214.db2.gz GNUUIDXWRBEUCG-UTUOFQBUSA-N 1 0 277.368 3.264 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000797905988 630000772 /nfs/dbraw/zinc/00/07/72/630000772.db2.gz SGSNFDFIICOCRZ-KGLIPLIRSA-N 1 0 260.337 3.181 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801533278 630341638 /nfs/dbraw/zinc/34/16/38/630341638.db2.gz KHAVCCCTSVKGAN-CQSZACIVSA-N 1 0 296.342 3.029 20 5 CGBDRO C[NH+](C)C[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804400632 630525756 /nfs/dbraw/zinc/52/57/56/630525756.db2.gz XSJLQWLTBVQEHO-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804461742 630529674 /nfs/dbraw/zinc/52/96/74/630529674.db2.gz RWNKQYHYQSAYQZ-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCC2(O)CCC2)c1 ZINC000817413804 632143794 /nfs/dbraw/zinc/14/37/94/632143794.db2.gz ACDXTNIIQXUFRV-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO [NH3+]CCCCCCCOc1c(F)cccc1[N+](=O)[O-] ZINC000818619685 632342626 /nfs/dbraw/zinc/34/26/26/632342626.db2.gz JEQKIGNNPNJUKH-UHFFFAOYSA-N 1 0 270.304 3.022 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866288957 633067038 /nfs/dbraw/zinc/06/70/38/633067038.db2.gz BRJPXVWUBBZQCR-JKSUJKDBSA-N 1 0 290.363 3.032 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000866540539 633184001 /nfs/dbraw/zinc/18/40/01/633184001.db2.gz QGKXKBBAVVLRCX-NSHDSACASA-N 1 0 286.372 3.084 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCCS2)c1 ZINC000122015674 633297117 /nfs/dbraw/zinc/29/71/17/633297117.db2.gz YORWTMJCEQEXIT-NSHDSACASA-N 1 0 286.784 3.233 20 5 CGBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827708300 633511402 /nfs/dbraw/zinc/51/14/02/633511402.db2.gz XHXPZJZSJMLVSU-NSHDSACASA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122829306 633518771 /nfs/dbraw/zinc/51/87/71/633518771.db2.gz PCOPAEQAVQONPF-KOLCDFICSA-N 1 0 295.770 3.285 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053753 633977223 /nfs/dbraw/zinc/97/72/23/633977223.db2.gz MIXOUZQLVVNFQZ-JTNHKYCSSA-N 1 0 296.342 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC(C)(C)O ZINC000872064206 633986333 /nfs/dbraw/zinc/98/63/33/633986333.db2.gz XFAALRFSNNFQHR-JTQLQIEISA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000872066055 633988793 /nfs/dbraw/zinc/98/87/93/633988793.db2.gz JOUBBGHOGLNSSU-LSDHHAIUSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077537 634000407 /nfs/dbraw/zinc/00/04/07/634000407.db2.gz KAQZNZOBNGLYKF-NEPJUHHUSA-N 1 0 296.342 3.201 20 5 CGBDRO Cc1cccnc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873130816 634253057 /nfs/dbraw/zinc/25/30/57/634253057.db2.gz HCYZDTBMWYYSRA-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO Cc1c(C[NH2+]C[C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000873134626 634255305 /nfs/dbraw/zinc/25/53/05/634255305.db2.gz OTRHPBPHOXWNQS-LBPRGKRZSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000873136810 634256440 /nfs/dbraw/zinc/25/64/40/634256440.db2.gz JEHPGWVNHNQEBU-RDJZCZTQSA-N 1 0 298.342 3.171 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000873138340 634257152 /nfs/dbraw/zinc/25/71/52/634257152.db2.gz QFSMIZSSBSNPCD-MRXNPFEDSA-N 1 0 298.342 3.386 20 5 CGBDRO CC(C)OC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000873167076 634267694 /nfs/dbraw/zinc/26/76/94/634267694.db2.gz OCONRFPWKNASKT-UHFFFAOYSA-N 1 0 278.352 3.032 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726405 634886889 /nfs/dbraw/zinc/88/68/89/634886889.db2.gz ZYHRERXXHDOCIH-CQSZACIVSA-N 1 0 292.379 3.070 20 5 CGBDRO CC(C)CCC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876895274 634923893 /nfs/dbraw/zinc/92/38/93/634923893.db2.gz YEGZBUXETFGKLQ-HSBZDZAISA-N 1 0 294.399 3.299 20 5 CGBDRO CCCC[C@@H](CCC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877083169 634978011 /nfs/dbraw/zinc/97/80/11/634978011.db2.gz JBFOQBUQSVWSEP-IYXRBSQSSA-N 1 0 294.399 3.443 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878373536 635479197 /nfs/dbraw/zinc/47/91/97/635479197.db2.gz NBQBLPBMHDEMHD-CHWSQXEVSA-N 1 0 290.363 3.347 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000879698706 635837857 /nfs/dbraw/zinc/83/78/57/635837857.db2.gz VLIJFKHUCQIJGJ-UHFFFAOYSA-N 1 0 286.397 3.076 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879962181 635889634 /nfs/dbraw/zinc/88/96/34/635889634.db2.gz OASZRTKSADYKIT-STQMWFEESA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000880465175 636006011 /nfs/dbraw/zinc/00/60/11/636006011.db2.gz BAKHPUIYLYXYNA-WFASDCNBSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc[nH]1 ZINC000848536861 636594441 /nfs/dbraw/zinc/59/44/41/636594441.db2.gz VYUNXAUWGCBTHY-IINYFYTJSA-N 1 0 271.320 3.261 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C=CCC1 ZINC000850358749 637027180 /nfs/dbraw/zinc/02/71/80/637027180.db2.gz KRTCEBPJWBCEMB-TZIYXEQSSA-N 1 0 258.321 3.306 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C=CCC1 ZINC000850358747 637027402 /nfs/dbraw/zinc/02/74/02/637027402.db2.gz KRTCEBPJWBCEMB-BRADTZPFSA-N 1 0 258.321 3.306 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134984464 637060439 /nfs/dbraw/zinc/06/04/39/637060439.db2.gz APYKOFHPYQOMKF-JTQLQIEISA-N 1 0 268.744 3.480 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C=CCC1)CCC2 ZINC000850510301 637096163 /nfs/dbraw/zinc/09/61/63/637096163.db2.gz SGICVPADFGGVBJ-SWLSCSKDSA-N 1 0 258.321 3.280 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850526190 637105234 /nfs/dbraw/zinc/10/52/34/637105234.db2.gz TYHSWGSEMPSRNS-OLZOCXBDSA-N 1 0 290.363 3.265 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@H+](CCc1ccccc1)C1CC1 ZINC000885966993 637336791 /nfs/dbraw/zinc/33/67/91/637336791.db2.gz FWYWHAISGFRQFN-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO CC(C)CC[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886044386 637383306 /nfs/dbraw/zinc/38/33/06/637383306.db2.gz WAIHEPPRGNXUGQ-AWEZNQCLSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000886220289 637463339 /nfs/dbraw/zinc/46/33/39/637463339.db2.gz FYZTVZCVGQXCEA-UVBJJODRSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886243029 637469384 /nfs/dbraw/zinc/46/93/84/637469384.db2.gz MLAVQOHOUWSNFE-CYBMUJFWSA-N 1 0 263.341 3.048 20 5 CGBDRO Cc1noc(C[NH+]2CCCCCCCC2)c1[N+](=O)[O-] ZINC000852140093 637603333 /nfs/dbraw/zinc/60/33/33/637603333.db2.gz ISMIMBZDNVDMQR-UHFFFAOYSA-N 1 0 267.329 3.047 20 5 CGBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852355750 637641817 /nfs/dbraw/zinc/64/18/17/637641817.db2.gz ZRLDIZNWIWAXOO-FZMZJTMJSA-N 1 0 280.368 3.043 20 5 CGBDRO CC1CC(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000857062735 638447132 /nfs/dbraw/zinc/44/71/32/638447132.db2.gz CXJFXKGGTJPNMW-UHFFFAOYSA-N 1 0 268.744 3.384 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000925691663 638570044 /nfs/dbraw/zinc/57/00/44/638570044.db2.gz JKSYVOCFIVNBHL-LFOFOYIVSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000926797615 638813464 /nfs/dbraw/zinc/81/34/64/638813464.db2.gz VEOCYQICHLPULW-LSDHHAIUSA-N 1 0 292.379 3.054 20 5 CGBDRO CC(C)([NH2+]CC[N+](=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000929949780 638963780 /nfs/dbraw/zinc/96/37/80/638963780.db2.gz FBIQQZZKFHBSCZ-UHFFFAOYSA-N 1 0 277.151 3.095 20 5 CGBDRO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000934007120 639524045 /nfs/dbraw/zinc/52/40/45/639524045.db2.gz VUFIJYDDQYRPSN-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000934011079 639524467 /nfs/dbraw/zinc/52/44/67/639524467.db2.gz JGEQWWPUYWRXFY-SWLSCSKDSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000934011080 639525041 /nfs/dbraw/zinc/52/50/41/639525041.db2.gz JGEQWWPUYWRXFY-WFASDCNBSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000934010717 639525263 /nfs/dbraw/zinc/52/52/63/639525263.db2.gz FMJUPVYMTSXKQN-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047909006 640031378 /nfs/dbraw/zinc/03/13/78/640031378.db2.gz JBLHRYFQVWBMGG-SNVBAGLBSA-N 1 0 278.327 3.497 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(CC[NH3+])c1 ZINC001159671966 806147162 /nfs/dbraw/zinc/14/71/62/806147162.db2.gz KMHNKBIJGMVENY-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(C2([NH3+])CCC2)cc1 ZINC001159728126 806162116 /nfs/dbraw/zinc/16/21/16/806162116.db2.gz LMRSPEMYVMOWSK-UHFFFAOYSA-N 1 0 298.346 3.380 20 5 CGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159775026 806169493 /nfs/dbraw/zinc/16/94/93/806169493.db2.gz AETZKUNHENZQGT-GFCCVEGCSA-N 1 0 299.330 3.121 20 5 CGBDRO C[NH+](C)CCCCNc1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001161730500 806439065 /nfs/dbraw/zinc/43/90/65/806439065.db2.gz GIRJFWWSSDHQAZ-JXMROGBWSA-N 1 0 297.786 3.341 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(C)C1 ZINC001254532042 806444444 /nfs/dbraw/zinc/44/44/44/806444444.db2.gz IWMDDMYMTHPYSA-OTTFEQOBSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccn1 ZINC001254550027 806447758 /nfs/dbraw/zinc/44/77/58/806447758.db2.gz BPDPMMWILFVJCQ-CQSZACIVSA-N 1 0 299.374 3.095 20 5 CGBDRO CCOC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561644 806452007 /nfs/dbraw/zinc/45/20/07/806452007.db2.gz HMUPUOOKKXGDGI-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C2 ZINC001254578470 806454012 /nfs/dbraw/zinc/45/40/12/806454012.db2.gz LTBJKLCOUDEEMK-RYQLBKOJSA-N 1 0 294.354 3.208 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581671 806456216 /nfs/dbraw/zinc/45/62/16/806456216.db2.gz PXYWTEHGSVICMI-SGIREYDYSA-N 1 0 274.364 3.230 20 5 CGBDRO CC[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602773 806458401 /nfs/dbraw/zinc/45/84/01/806458401.db2.gz ISXPTUYIZSPJOG-LRDDRELGSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H](C(F)F)C1)C2 ZINC001254602973 806458464 /nfs/dbraw/zinc/45/84/64/806458464.db2.gz JKHPPQLTCVCGDQ-BXUZGUMPSA-N 1 0 296.317 3.039 20 5 CGBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111290723 798983390 /nfs/dbraw/zinc/98/33/90/798983390.db2.gz RWWJEJJTFWIYNE-UHFFFAOYSA-N 1 0 287.310 3.285 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000402313876 799561892 /nfs/dbraw/zinc/56/18/92/799561892.db2.gz QSXLUAGVSLGVTK-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC3(CC3)C2)cs1 ZINC000695729665 799833874 /nfs/dbraw/zinc/83/38/74/799833874.db2.gz MUISYMNWATWACW-NSHDSACASA-N 1 0 266.366 3.469 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000701049336 799883730 /nfs/dbraw/zinc/88/37/30/799883730.db2.gz IHAIIWVUSIZEJY-QOBXEIRBSA-N 1 0 298.770 3.150 20 5 CGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697916 799978236 /nfs/dbraw/zinc/97/82/36/799978236.db2.gz UDQCNYXDXZSZRK-VXGBXAGGSA-N 1 0 298.383 3.450 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)ccc1Cl ZINC000711631737 800067310 /nfs/dbraw/zinc/06/73/10/800067310.db2.gz DAOGSVUSCCVANQ-PHIMTYICSA-N 1 0 298.795 3.043 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001163721799 806808212 /nfs/dbraw/zinc/80/82/12/806808212.db2.gz NSUWCWPTDRGJBJ-UONOGXRCSA-N 1 0 293.342 3.019 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000717563706 800204894 /nfs/dbraw/zinc/20/48/94/800204894.db2.gz SXPJYVQPSXWUEU-BXUZGUMPSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(C3CC3)CCC2)cc1 ZINC000717844370 800206084 /nfs/dbraw/zinc/20/60/84/800206084.db2.gz YOSDEHXMKXBZGK-UHFFFAOYSA-N 1 0 260.337 3.060 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccccc1N ZINC001163889131 806846170 /nfs/dbraw/zinc/84/61/70/806846170.db2.gz AOGLKENIEUBYFT-UHFFFAOYSA-N 1 0 284.427 3.477 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc([N+](=O)[O-])c1 ZINC000903128954 800594533 /nfs/dbraw/zinc/59/45/33/800594533.db2.gz CFQFYBSXKZQKDZ-WDEREUQCSA-N 1 0 289.335 3.343 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCC(=O)C(C)(C)C ZINC001164005310 806873798 /nfs/dbraw/zinc/87/37/98/806873798.db2.gz MPRCZTUBXPSXNN-UHFFFAOYSA-N 1 0 277.432 3.310 20 5 CGBDRO CC(C)N(CCC[NH3+])c1cc2cccnc2c2ncccc12 ZINC001164126679 806898010 /nfs/dbraw/zinc/89/80/10/806898010.db2.gz DYTNDXYQYGHMAQ-UHFFFAOYSA-N 1 0 294.402 3.347 20 5 CGBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001164378790 806943599 /nfs/dbraw/zinc/94/35/99/806943599.db2.gz BFRCUBARBMLJQG-WCQGTBRESA-N 1 0 295.770 3.000 20 5 CGBDRO CC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)(C)C ZINC001117761653 802490725 /nfs/dbraw/zinc/49/07/25/802490725.db2.gz YSMIYEHVEVPVPQ-UHFFFAOYSA-N 1 0 296.367 3.103 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cccc(C[NH+](C)C)c1 ZINC001249545111 805170464 /nfs/dbraw/zinc/17/04/64/805170464.db2.gz FWEQTOGHGBDVGN-UHFFFAOYSA-N 1 0 286.335 3.103 20 5 CGBDRO Cc1cccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1[N+](=O)[O-] ZINC001168600813 807453250 /nfs/dbraw/zinc/45/32/50/807453250.db2.gz DZTHUOIXKWXPOP-JSGCOSHPSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977230 807544668 /nfs/dbraw/zinc/54/46/68/807544668.db2.gz IZIHSGLHNQGQKY-HIFRSBDPSA-N 1 0 276.380 3.265 20 5 CGBDRO CCCC[C@H](CC)C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977724 807545112 /nfs/dbraw/zinc/54/51/12/807545112.db2.gz LMYWTRZRGGROGW-MELADBBJSA-N 1 0 256.390 3.238 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168977348 807545143 /nfs/dbraw/zinc/54/51/43/807545143.db2.gz ARRXFCBIICPJDS-SOUVJXGZSA-N 1 0 276.380 3.399 20 5 CGBDRO CC(C)(Cc1ccccc1F)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980376 807545775 /nfs/dbraw/zinc/54/57/75/807545775.db2.gz DAWNDNMBCZJXGN-JSGCOSHPSA-N 1 0 294.370 3.182 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC2)C1 ZINC001168987731 807547905 /nfs/dbraw/zinc/54/79/05/807547905.db2.gz JVGHXEJKHDUETE-NORZTCDRSA-N 1 0 292.354 3.312 20 5 CGBDRO CCCC1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168989849 807547967 /nfs/dbraw/zinc/54/79/67/807547967.db2.gz XEESPFQYSATZFQ-HXSCFSKGSA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC001168988306 807548013 /nfs/dbraw/zinc/54/80/13/807548013.db2.gz QTLZZDKTXSUUBA-HFBAOOFYSA-N 1 0 292.354 3.312 20 5 CGBDRO CCCC1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168989851 807548211 /nfs/dbraw/zinc/54/82/11/807548211.db2.gz XEESPFQYSATZFQ-OOJKYFRXSA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC001168990826 807548214 /nfs/dbraw/zinc/54/82/14/807548214.db2.gz DTWLKLISDNAFIG-BFQNTYOBSA-N 1 0 292.354 3.238 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC001168990863 807548277 /nfs/dbraw/zinc/54/82/77/807548277.db2.gz FCXUVOGHQYFWNM-DJSGYFEHSA-N 1 0 292.354 3.238 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007243 807551768 /nfs/dbraw/zinc/55/17/68/807551768.db2.gz MBTXFRCHLSZEOE-XHDPSFHLSA-N 1 0 294.782 3.144 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169006785 807552256 /nfs/dbraw/zinc/55/22/56/807552256.db2.gz YZVCCTINBYLYPD-BJJXKVORSA-N 1 0 274.364 3.017 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccccc2F)C1 ZINC001169035746 807556182 /nfs/dbraw/zinc/55/61/82/807556182.db2.gz LNXHEVSQAHPFLL-WWGRRREGSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]3CCCC[C@H]32)C1 ZINC001169037726 807556231 /nfs/dbraw/zinc/55/62/31/807556231.db2.gz TWSHPMMZJYIVQW-APIJFGDWSA-N 1 0 266.385 3.086 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC001169038421 807557135 /nfs/dbraw/zinc/55/71/35/807557135.db2.gz YSQHVDGSRCIQGE-MCIONIFRSA-N 1 0 292.354 3.060 20 5 CGBDRO CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304868 807822283 /nfs/dbraw/zinc/82/22/83/807822283.db2.gz GZJRDFQQWBUBCC-RYUDHWBXSA-N 1 0 280.368 3.313 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC001170329606 807826594 /nfs/dbraw/zinc/82/65/94/807826594.db2.gz SHKKLNFPDSEAJG-GFCCVEGCSA-N 1 0 280.368 3.122 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CCCC2)c1F ZINC001173175014 808532663 /nfs/dbraw/zinc/53/26/63/808532663.db2.gz IPVBMTPVWODPAS-SNVBAGLBSA-N 1 0 296.342 3.206 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184071 808533155 /nfs/dbraw/zinc/53/31/55/808533155.db2.gz CQOQMIYPJSXDFG-MNOVXSKESA-N 1 0 298.358 3.404 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC2CC2)c1F ZINC001173184154 808533430 /nfs/dbraw/zinc/53/34/30/808533430.db2.gz LQHISWYEMFYUDA-JTQLQIEISA-N 1 0 296.342 3.015 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H](C)C(C)C)c1F ZINC001173176104 808533794 /nfs/dbraw/zinc/53/37/94/808533794.db2.gz XLAKGWFWDOYZOB-WDEREUQCSA-N 1 0 298.358 3.308 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C(C)(C)C)c1F ZINC001173188152 808533811 /nfs/dbraw/zinc/53/38/11/808533811.db2.gz CUCTVPIGFHBSOG-JTQLQIEISA-N 1 0 298.358 3.404 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001173217073 808539173 /nfs/dbraw/zinc/53/91/73/808539173.db2.gz KZFPVTPYVRQSMX-YYWXWVFPSA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(F)(F)F ZINC001173219860 808540193 /nfs/dbraw/zinc/54/01/93/808540193.db2.gz PVXSHEHVWJYBJG-JTQLQIEISA-N 1 0 290.285 3.458 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227567 808541286 /nfs/dbraw/zinc/54/12/86/808541286.db2.gz QWQODLHCSXYPBG-CJNGLKHVSA-N 1 0 292.379 3.027 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234822 808545144 /nfs/dbraw/zinc/54/51/44/808545144.db2.gz UFHCMCATYQQXLA-CZUORRHYSA-N 1 0 292.379 3.025 20 5 CGBDRO C[NH+](C)Cc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001174478015 809033455 /nfs/dbraw/zinc/03/34/55/809033455.db2.gz IKBYYTKVLRLHCO-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC001179768693 809943666 /nfs/dbraw/zinc/94/36/66/809943666.db2.gz SOZDDNUKZWBESN-BYCMXARLSA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@@H]1CCCC[C@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001181556001 810059431 /nfs/dbraw/zinc/05/94/31/810059431.db2.gz QXCIHOLZWNOEOV-KGLIPLIRSA-N 1 0 291.395 3.186 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001183345199 810145790 /nfs/dbraw/zinc/14/57/90/810145790.db2.gz GFFWNTNPZZMCKX-KBPBESRZSA-N 1 0 262.353 3.427 20 5 CGBDRO CC(C)Cc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])C2CC2)cc1 ZINC001192594266 810808811 /nfs/dbraw/zinc/80/88/11/810808811.db2.gz GZWMOWDFZUUBRU-MRXNPFEDSA-N 1 0 276.380 3.203 20 5 CGBDRO C[NH+](C)Cc1ccc(Nc2cc(O)cc([N+](=O)[O-])c2)cc1 ZINC001201223147 811799344 /nfs/dbraw/zinc/79/93/44/811799344.db2.gz VAYPLVSWIOXQEC-UHFFFAOYSA-N 1 0 287.319 3.106 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2ccsc2)c1 ZINC001204088985 812547075 /nfs/dbraw/zinc/54/70/75/812547075.db2.gz IZAQCTIZGKWYMI-UHFFFAOYSA-N 1 0 276.361 3.379 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCC(=O)c1ccc2ccccc2c1 ZINC001205760437 813069076 /nfs/dbraw/zinc/06/90/76/813069076.db2.gz AZFHOVKEHVTWGZ-AWEZNQCLSA-N 1 0 286.395 3.134 20 5 CGBDRO COc1ncc(Nc2cc[nH+]c(C3CC3)c2)cc1[N+](=O)[O-] ZINC001210137351 814306609 /nfs/dbraw/zinc/30/66/09/814306609.db2.gz XICPEGWQYSQEPM-UHFFFAOYSA-N 1 0 286.291 3.014 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001217952404 816014915 /nfs/dbraw/zinc/01/49/15/816014915.db2.gz XOPWLPRRXLYMSI-AULYBMBSSA-N 1 0 295.338 3.075 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001217989565 816037450 /nfs/dbraw/zinc/03/74/50/816037450.db2.gz MWLCZFKRBVMLFY-ZANVPECISA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001218021645 816057873 /nfs/dbraw/zinc/05/78/73/816057873.db2.gz CBAKEGAGTPPXGZ-NOZJJQNGSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001218025909 816060744 /nfs/dbraw/zinc/06/07/44/816060744.db2.gz HCCDVWIJKVPERD-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001218034470 816066678 /nfs/dbraw/zinc/06/66/78/816066678.db2.gz PFDMILLKRDABEM-IINYFYTJSA-N 1 0 292.379 3.287 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218037341 816068560 /nfs/dbraw/zinc/06/85/60/816068560.db2.gz OHZKWDQKCUNJAQ-ZYHUDNBSSA-N 1 0 278.352 3.022 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218045774 816072138 /nfs/dbraw/zinc/07/21/38/816072138.db2.gz OHZKWDQKCUNJAQ-PWSUYJOCSA-N 1 0 278.352 3.022 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1CC[NH2+]C1 ZINC001218183825 816119312 /nfs/dbraw/zinc/11/93/12/816119312.db2.gz ZAABNPDWGQOEIF-ZDUSSCGKSA-N 1 0 264.328 3.129 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)CC1 ZINC001218189205 816121415 /nfs/dbraw/zinc/12/14/15/816121415.db2.gz RXAUGZAHQWXAQK-JOCQHMNTSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CCC[NH2+]C1 ZINC001218279820 816151118 /nfs/dbraw/zinc/15/11/18/816151118.db2.gz SMTHJHUWNUCYDA-HNNXBMFYSA-N 1 0 298.342 3.393 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC001218285980 816152908 /nfs/dbraw/zinc/15/29/08/816152908.db2.gz PCMVQQVDYLJVIU-ZETCQYMHSA-N 1 0 291.134 3.032 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001218306764 816159445 /nfs/dbraw/zinc/15/94/45/816159445.db2.gz KPKDVFZMWGDKGM-ZDUSSCGKSA-N 1 0 290.363 3.265 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001218386035 816185265 /nfs/dbraw/zinc/18/52/65/816185265.db2.gz JPRACZDTKKEAMZ-ZUZCIYMTSA-N 1 0 295.338 3.143 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218394872 816189964 /nfs/dbraw/zinc/18/99/64/816189964.db2.gz ZMPGQWSSIISGKT-BDJLRTHQSA-N 1 0 264.328 3.127 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Cl ZINC001218402744 816195914 /nfs/dbraw/zinc/19/59/14/816195914.db2.gz VDOXMAKDYDUFNK-NXEZZACHSA-N 1 0 284.743 3.076 20 5 CGBDRO CC1(C)C[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218475298 816232991 /nfs/dbraw/zinc/23/29/91/816232991.db2.gz DLTBDWQHJSTAHI-JTQLQIEISA-N 1 0 284.743 3.158 20 5 CGBDRO CC1(C)C[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218477546 816235131 /nfs/dbraw/zinc/23/51/31/816235131.db2.gz QKUZWRXNLRCUPR-SNVBAGLBSA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1ccc(O[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218488896 816243532 /nfs/dbraw/zinc/24/35/32/816243532.db2.gz ZRTBDBIQBBPFRW-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)O[C@](F)(Cl)c1ccccc1 ZINC001222958841 816541143 /nfs/dbraw/zinc/54/11/43/816541143.db2.gz ZVOBANAVTWLTSU-AAEUAGOBSA-N 1 0 260.760 3.117 20 5 CGBDRO Cc1c(CO[C@H]2CC[C@H]([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC001223330966 816606723 /nfs/dbraw/zinc/60/67/23/816606723.db2.gz FNKVWTSARBIYAD-SHTZXODSSA-N 1 0 292.379 3.293 20 5 CGBDRO CC[NH+](CC)C[C@H](C)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223428340 816628734 /nfs/dbraw/zinc/62/87/34/816628734.db2.gz FKNRIRXSXIOQQG-QWHCGFSZSA-N 1 0 280.368 3.403 20 5 CGBDRO CC[NH+](CC)C[C@H](C)OCc1c(C)cccc1[N+](=O)[O-] ZINC001223535963 816646695 /nfs/dbraw/zinc/64/66/95/816646695.db2.gz QLAXXAHMNAEMNH-ZDUSSCGKSA-N 1 0 280.368 3.150 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001224019077 816721166 /nfs/dbraw/zinc/72/11/66/816721166.db2.gz CDJAYDBZTFXTRO-CHWSQXEVSA-N 1 0 280.368 3.403 20 5 CGBDRO C[N+](C)(C)CCO[C@@H]1Cc2cccc3cccc1c23 ZINC001224770997 816878235 /nfs/dbraw/zinc/87/82/35/816878235.db2.gz DPBODYWVUXLNSR-MRXNPFEDSA-N 1 0 256.369 3.160 20 5 CGBDRO CC(C)C[C@@H](Cc1ccccc1)OCC[N+](C)(C)C ZINC001224776091 816879222 /nfs/dbraw/zinc/87/92/22/816879222.db2.gz SBKCMRFLYNLFEU-KRWDZBQOSA-N 1 0 264.433 3.367 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)cc(Cl)c1 ZINC001225233774 816972859 /nfs/dbraw/zinc/97/28/59/816972859.db2.gz OGSFGKZKJUUTGE-VIFPVBQESA-N 1 0 263.188 3.467 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)ccc1F ZINC001225333269 817015488 /nfs/dbraw/zinc/01/54/88/817015488.db2.gz XKZQZNZDUKXQOO-SECBINFHSA-N 1 0 280.285 3.318 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001226445221 817358308 /nfs/dbraw/zinc/35/83/08/817358308.db2.gz BTHRKZOVSVUPLM-LBPRGKRZSA-N 1 0 295.403 3.366 20 5 CGBDRO CCCc1ccc(NC(C)=O)cc1O[C@H](C)C[N+](C)(C)C ZINC001226501184 817377620 /nfs/dbraw/zinc/37/76/20/817377620.db2.gz WAUZUGRBEYEWIB-CYBMUJFWSA-O 1 0 293.431 3.071 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c2ccccc12 ZINC001226547027 817393887 /nfs/dbraw/zinc/39/38/87/817393887.db2.gz QHQXVCNQEHMPGB-GFCCVEGCSA-N 1 0 262.348 3.452 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H](C)C[N+](C)(C)C ZINC001226992710 817528553 /nfs/dbraw/zinc/52/85/53/817528553.db2.gz WRMFRIZVISQYRI-SNVBAGLBSA-N 1 0 287.767 3.030 20 5 CGBDRO CCCc1c(O)ccc(C(C)=O)c1O[C@H](C)C[N+](C)(C)C ZINC001228134024 817819872 /nfs/dbraw/zinc/81/98/72/817819872.db2.gz LQGCVJOKYQSDIU-GFCCVEGCSA-O 1 0 294.415 3.021 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(N2CCCCC2)c1 ZINC001228437837 817906526 /nfs/dbraw/zinc/90/65/26/817906526.db2.gz QHDJDRKETNLJRD-HNNXBMFYSA-N 1 0 277.432 3.150 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(N2CCCCC2)c1 ZINC001228437840 817906626 /nfs/dbraw/zinc/90/66/26/817906626.db2.gz QHDJDRKETNLJRD-OAHLLOKOSA-N 1 0 277.432 3.150 20 5 CGBDRO CCCC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001228466869 817913102 /nfs/dbraw/zinc/91/31/02/817913102.db2.gz UJADMBVBJYAGJF-CYBMUJFWSA-N 1 0 264.389 3.143 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001228465552 817913356 /nfs/dbraw/zinc/91/33/56/817913356.db2.gz IXHLAVVWOMKHNV-MRVPVSSYSA-N 1 0 298.275 3.457 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc2c1ccc1cccnc12 ZINC001234086400 818775109 /nfs/dbraw/zinc/77/51/09/818775109.db2.gz FGXYAQBWFZHGDN-CYBMUJFWSA-N 1 0 296.394 3.257 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC001340607789 936409087 /nfs/dbraw/zinc/40/90/87/936409087.db2.gz LACZLAWNGCLACY-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H]1CCc2c1cc(F)cc2F ZINC001224620822 927438810 /nfs/dbraw/zinc/43/88/10/927438810.db2.gz FOXZNAPDCQSALK-OAHLLOKOSA-N 1 0 270.343 3.065 20 5 CGBDRO CCCOc1ccccc1[C@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC001459838464 937503173 /nfs/dbraw/zinc/50/31/73/937503173.db2.gz QVUQZGRXVMBHQT-HNNXBMFYSA-N 1 0 294.395 3.429 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOCC(C)C ZINC001461016516 937559468 /nfs/dbraw/zinc/55/94/68/937559468.db2.gz HQURLCIVALMPLQ-UHFFFAOYSA-N 1 0 294.395 3.364 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115076 932099091 /nfs/dbraw/zinc/09/90/91/932099091.db2.gz PJNGDAQWFQMDKF-SOGBHIHOSA-N 1 0 290.363 3.186 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229965135 932511473 /nfs/dbraw/zinc/51/14/73/932511473.db2.gz YOPCWVJLVTZOQI-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC001462286246 937629587 /nfs/dbraw/zinc/62/95/87/937629587.db2.gz WLGFYURGMNSPMR-SWLSCSKDSA-N 1 0 294.395 3.481 20 5 CGBDRO CC1(c2ccccc2)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001462453368 937642574 /nfs/dbraw/zinc/64/25/74/937642574.db2.gz CHHRPGQAMNVXIR-UHFFFAOYSA-N 1 0 296.370 3.411 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001308137503 933054529 /nfs/dbraw/zinc/05/45/29/933054529.db2.gz XKHXMAGSXOMMCC-ZDUSSCGKSA-N 1 0 266.316 3.498 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001308298798 933091725 /nfs/dbraw/zinc/09/17/25/933091725.db2.gz YKYJOBQOGHEUHW-LSDHHAIUSA-N 1 0 292.379 3.115 20 5 CGBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC001320037989 933985203 /nfs/dbraw/zinc/98/52/03/933985203.db2.gz XSUPVNNSKIXROJ-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)(C)C ZINC001324437579 934505146 /nfs/dbraw/zinc/50/51/46/934505146.db2.gz CQVQGFJPHMHTNT-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@@H]1CCCc1ccccc1 ZINC001473298917 937800966 /nfs/dbraw/zinc/80/09/66/937800966.db2.gz CJIQQACKUBXKGV-MRXNPFEDSA-N 1 0 276.380 3.141 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccn1C1CC1 ZINC001325128214 934888518 /nfs/dbraw/zinc/88/85/18/934888518.db2.gz KHSDDJAEUIEAOJ-UHFFFAOYSA-N 1 0 299.374 3.406 20 5 CGBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001332868775 935493023 /nfs/dbraw/zinc/49/30/23/935493023.db2.gz YPKRBDWWCQUGPK-CQSZACIVSA-N 1 0 284.359 3.073 20 5 CGBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC001334683915 936108283 /nfs/dbraw/zinc/10/82/83/936108283.db2.gz FNYIEPWFQDPCLC-JTQLQIEISA-N 1 0 278.739 3.421 20 5 CGBDRO C=C/C=C\CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001474250907 937846405 /nfs/dbraw/zinc/84/64/05/937846405.db2.gz FQVVNRGNQXYJNQ-ARJAWSKDSA-N 1 0 298.289 3.418 20 5 CGBDRO C[C@H]1C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC001559654182 938232231 /nfs/dbraw/zinc/23/22/31/938232231.db2.gz DCELOYQIVJZLCR-KBPBESRZSA-N 1 0 292.379 3.342 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc2nccn21)c1cccc([N+](=O)[O-])c1 ZINC001560274219 938250760 /nfs/dbraw/zinc/25/07/60/938250760.db2.gz HJIIEXPBJOTWPE-GFCCVEGCSA-N 1 0 296.330 3.093 20 5 CGBDRO COCC1(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000589742321 346810572 /nfs/dbraw/zinc/81/05/72/346810572.db2.gz FUHNGKFUVGFMSA-UHFFFAOYSA-N 1 0 292.379 3.236 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000421394232 529446835 /nfs/dbraw/zinc/44/68/35/529446835.db2.gz XMBPGMPQYANUQF-IPKOWEFYSA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347982 346916967 /nfs/dbraw/zinc/91/69/67/346916967.db2.gz OAXUMSRWRUXLPC-VCTAVGKDSA-N 1 0 260.337 3.360 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000592374417 346980325 /nfs/dbraw/zinc/98/03/25/346980325.db2.gz FVGYNLOPGRZJHV-BJHJDKERSA-N 1 0 296.342 3.170 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1 ZINC000037565686 344951545 /nfs/dbraw/zinc/95/15/45/344951545.db2.gz RXADURQUHAHSIX-CQSZACIVSA-N 1 0 268.316 3.024 20 5 CGBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000049155642 345072028 /nfs/dbraw/zinc/07/20/28/345072028.db2.gz HUVYYDLCJUTUKA-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000050988794 345086264 /nfs/dbraw/zinc/08/62/64/345086264.db2.gz VENZMWIENINTAF-UHFFFAOYSA-N 1 0 260.337 3.215 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000054174809 345130522 /nfs/dbraw/zinc/13/05/22/345130522.db2.gz JFIZNUKPCJAVAB-SNVBAGLBSA-N 1 0 254.355 3.278 20 5 CGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000055900302 345157402 /nfs/dbraw/zinc/15/74/02/345157402.db2.gz VOCXJTMAXVNUSK-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000060208949 345212100 /nfs/dbraw/zinc/21/21/00/345212100.db2.gz CZACCHCZWXLYBC-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1cc(NCC[N@@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000064916260 345266667 /nfs/dbraw/zinc/26/66/67/345266667.db2.gz PYMKZICFTPHEFC-UHFFFAOYSA-N 1 0 299.374 3.447 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000065208234 345269323 /nfs/dbraw/zinc/26/93/23/345269323.db2.gz QMHKAMBPLIQCMY-UHFFFAOYSA-N 1 0 298.342 3.032 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023029 345490925 /nfs/dbraw/zinc/49/09/25/345490925.db2.gz OSOMXKVNQGWCBL-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO CS[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295115481 199352884 /nfs/dbraw/zinc/35/28/84/199352884.db2.gz VQCVIWCFMWSNMN-DIECRNLCSA-N 1 0 278.377 3.045 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000075606787 345514769 /nfs/dbraw/zinc/51/47/69/345514769.db2.gz JIWUWZMTUPKBTR-AWEZNQCLSA-N 1 0 291.376 3.371 20 5 CGBDRO CC[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000075677160 345518279 /nfs/dbraw/zinc/51/82/79/345518279.db2.gz AMUCDCOQRWFUHG-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000080103192 345665793 /nfs/dbraw/zinc/66/57/93/345665793.db2.gz SJIDNFSRVYGFNX-UHFFFAOYSA-N 1 0 298.342 3.032 20 5 CGBDRO CC1(C)CCC(O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000087048126 345752784 /nfs/dbraw/zinc/75/27/84/345752784.db2.gz IGPOWDODHHPOAL-UHFFFAOYSA-N 1 0 292.379 3.016 20 5 CGBDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513493 345769922 /nfs/dbraw/zinc/76/99/22/345769922.db2.gz RTXQAGWJSADRBE-SECBINFHSA-N 1 0 277.349 3.211 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)c1 ZINC000111397852 345949613 /nfs/dbraw/zinc/94/96/13/345949613.db2.gz WZOILDGJTJYZTA-NVXWUHKLSA-N 1 0 282.343 3.488 20 5 CGBDRO CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000127577044 187317041 /nfs/dbraw/zinc/31/70/41/187317041.db2.gz ZIWFSDZHKORECA-UHFFFAOYSA-N 1 0 274.267 3.038 20 5 CGBDRO CCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000593612781 347094943 /nfs/dbraw/zinc/09/49/43/347094943.db2.gz LYXWXGANGLTILO-UHFFFAOYSA-N 1 0 270.332 3.447 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000311987308 346475474 /nfs/dbraw/zinc/47/54/74/346475474.db2.gz DYIFFTHNSJRGHV-KOLCDFICSA-N 1 0 270.279 3.433 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000403381153 346596787 /nfs/dbraw/zinc/59/67/87/346596787.db2.gz QFJITHZHBXTOCO-ZMLRMANQSA-N 1 0 264.300 3.012 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584724325 346710158 /nfs/dbraw/zinc/71/01/58/346710158.db2.gz BFFWCTYDGNFEAF-LNSITVRQSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718092 347107739 /nfs/dbraw/zinc/10/77/39/347107739.db2.gz KBDIAZCPEVGTML-OLZOCXBDSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccco1 ZINC000594489574 347176741 /nfs/dbraw/zinc/17/67/41/347176741.db2.gz DCXRDFNOIRTTJF-CQSZACIVSA-N 1 0 272.304 3.007 20 5 CGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494326 347177926 /nfs/dbraw/zinc/17/79/26/347177926.db2.gz YCXVTEKIBRRBCH-TYNCELHUSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725507 347214222 /nfs/dbraw/zinc/21/42/22/347214222.db2.gz LGTYHSGGIHQPFP-LBPRGKRZSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594930127 347232279 /nfs/dbraw/zinc/23/22/79/347232279.db2.gz SHKFFQQUUHKVKN-GDBMZVCRSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CO1 ZINC000594935269 347233890 /nfs/dbraw/zinc/23/38/90/347233890.db2.gz FJXSNQHSECODIP-IACUBPJLSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H](c1ccncc1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595391203 347297419 /nfs/dbraw/zinc/29/74/19/347297419.db2.gz GOELGJOZPXZQAO-NSHDSACASA-N 1 0 289.310 3.322 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000595011991 347256377 /nfs/dbraw/zinc/25/63/77/347256377.db2.gz ALQOVPOIDSTRDH-SUNKGSAMSA-N 1 0 278.352 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCF ZINC000595038695 347265501 /nfs/dbraw/zinc/26/55/01/347265501.db2.gz NXQGDEQLRBHELE-JTQLQIEISA-N 1 0 270.304 3.004 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000595044161 347267846 /nfs/dbraw/zinc/26/78/46/347267846.db2.gz LOSCXHPKNLERCR-MRVPVSSYSA-N 1 0 286.278 3.052 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000595047248 347268777 /nfs/dbraw/zinc/26/87/77/347268777.db2.gz CPTXDGZSTANWMC-LRDDRELGSA-N 1 0 297.358 3.370 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595419039 347300197 /nfs/dbraw/zinc/30/01/97/347300197.db2.gz WNQUFTBHKDPBRZ-NXEZZACHSA-N 1 0 254.305 3.258 20 5 CGBDRO CC1(C)[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1(F)F ZINC000595095795 347282496 /nfs/dbraw/zinc/28/24/96/347282496.db2.gz YCMXUIFBDSURSF-YPMHNXCESA-N 1 0 296.317 3.463 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CCC(O)CC1 ZINC000595096085 347282816 /nfs/dbraw/zinc/28/28/16/347282816.db2.gz ZTLQENAOXMDRCB-DNOWBOINSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000595747318 347349475 /nfs/dbraw/zinc/34/94/75/347349475.db2.gz LLXWRYLRDZYWDS-ZDUSSCGKSA-N 1 0 290.363 3.243 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595437378 347303783 /nfs/dbraw/zinc/30/37/83/347303783.db2.gz GMSFHAOKKDNKMH-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000595450601 347305217 /nfs/dbraw/zinc/30/52/17/347305217.db2.gz VAHSHNZDJOMXJO-MFKMUULPSA-N 1 0 264.300 3.108 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595809858 347357316 /nfs/dbraw/zinc/35/73/16/347357316.db2.gz JUDPJVHGWOWNLR-YNEHKIRRSA-N 1 0 260.337 3.306 20 5 CGBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596231527 347401540 /nfs/dbraw/zinc/40/15/40/347401540.db2.gz KMEWGRQPIQUQIT-JQWIXIFHSA-N 1 0 295.408 3.028 20 5 CGBDRO Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596238537 347402147 /nfs/dbraw/zinc/40/21/47/347402147.db2.gz NQOQQZGKXWREJD-SECBINFHSA-N 1 0 271.386 3.105 20 5 CGBDRO Cc1cc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])s1 ZINC000596261955 347406996 /nfs/dbraw/zinc/40/69/96/347406996.db2.gz ZODSORHMXQBLBG-UHFFFAOYSA-N 1 0 283.397 3.251 20 5 CGBDRO COc1ccc(C[N@H+](C)C[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000595912431 347371950 /nfs/dbraw/zinc/37/19/50/347371950.db2.gz LXHIJAHJWPBWIO-GFCCVEGCSA-N 1 0 278.352 3.081 20 5 CGBDRO Nc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000596652720 347498304 /nfs/dbraw/zinc/49/83/04/347498304.db2.gz XIJKBULRZVYDJZ-QGZVFWFLSA-N 1 0 297.358 3.344 20 5 CGBDRO O=[N+]([O-])c1sccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569983 347480930 /nfs/dbraw/zinc/48/09/30/347480930.db2.gz FDWLEMIGQUREPV-GFCCVEGCSA-N 1 0 295.408 3.190 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596571274 347481031 /nfs/dbraw/zinc/48/10/31/347481031.db2.gz RXBLAOSOSKXRQQ-CQSZACIVSA-N 1 0 289.379 3.129 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000597221555 347556858 /nfs/dbraw/zinc/55/68/58/347556858.db2.gz RCQRQPXAWRINOK-ZIEJDFEHSA-N 1 0 274.364 3.304 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CC(C)C1 ZINC000598680034 347678694 /nfs/dbraw/zinc/67/86/94/347678694.db2.gz RCUGSCKOYAPLPI-CXQJBGSLSA-N 1 0 278.352 3.300 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000598965659 347701553 /nfs/dbraw/zinc/70/15/53/347701553.db2.gz YHGZEIDMWDZLHO-BPNCWPANSA-N 1 0 290.363 3.128 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC23CC3)c1 ZINC000599017300 347706872 /nfs/dbraw/zinc/70/68/72/347706872.db2.gz OELYTGLBZCOMED-ZDUSSCGKSA-N 1 0 260.337 3.265 20 5 CGBDRO CC1(C)SC[C@H]1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599069037 347714133 /nfs/dbraw/zinc/71/41/33/347714133.db2.gz RSZMVYYNLLVANK-GFCCVEGCSA-N 1 0 289.360 3.449 20 5 CGBDRO C[C@H]1CC(F)(F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000599623346 347758761 /nfs/dbraw/zinc/75/87/61/347758761.db2.gz OLXXUPTTWHWWOR-NSHDSACASA-N 1 0 284.306 3.257 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000600186718 347791154 /nfs/dbraw/zinc/79/11/54/347791154.db2.gz SDFRYGDMFWHBIA-BETUJISGSA-N 1 0 260.337 3.170 20 5 CGBDRO CC(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])nc2)cc1 ZINC000600788010 347835730 /nfs/dbraw/zinc/83/57/30/347835730.db2.gz CVCGGPCKFWTYQQ-UHFFFAOYSA-N 1 0 271.320 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc([C@@H]3CCC[NH2+]3)c2)cn1 ZINC000600790002 347836758 /nfs/dbraw/zinc/83/67/58/347836758.db2.gz WHDVQVYEHTTXRD-AWEZNQCLSA-N 1 0 269.304 3.081 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000601138659 347873736 /nfs/dbraw/zinc/87/37/36/347873736.db2.gz WBIIDLIRTWIEIM-CQSZACIVSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000601156734 347876346 /nfs/dbraw/zinc/87/63/46/347876346.db2.gz YJTKNJQPQWRGFU-HOTGVXAUSA-N 1 0 290.363 3.032 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000601289848 347889170 /nfs/dbraw/zinc/88/91/70/347889170.db2.gz UVAZWYMMBFBPPW-GXTWGEPZSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000601289095 347889328 /nfs/dbraw/zinc/88/93/28/347889328.db2.gz IAAHJHCYJZHUPS-HIFRSBDPSA-N 1 0 294.395 3.057 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000601289609 347889446 /nfs/dbraw/zinc/88/94/46/347889446.db2.gz PXTYDVPPRHTBAM-STQMWFEESA-N 1 0 280.368 3.105 20 5 CGBDRO CC(C)(CC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602631556 347997837 /nfs/dbraw/zinc/99/78/37/347997837.db2.gz YXUHBVOLQBRSLA-UHFFFAOYSA-N 1 0 290.285 3.458 20 5 CGBDRO CC([NH2+]CCc1ccc([N+](=O)[O-])cc1)(C1CC1)C1CC1 ZINC000602716203 348016570 /nfs/dbraw/zinc/01/65/70/348016570.db2.gz AQVYGZITTQAYAO-UHFFFAOYSA-N 1 0 274.364 3.306 20 5 CGBDRO CC1(C)C[C@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602719591 348017146 /nfs/dbraw/zinc/01/71/46/348017146.db2.gz ZEBVQDKNDPRHHI-AWEZNQCLSA-N 1 0 275.308 3.014 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(CCF)CC2)c1 ZINC000602732289 348020409 /nfs/dbraw/zinc/02/04/09/348020409.db2.gz HEOGHFUGQSLNIG-UHFFFAOYSA-N 1 0 266.316 3.166 20 5 CGBDRO CC[C@]1(O)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983404 348052433 /nfs/dbraw/zinc/05/24/33/348052433.db2.gz JRVWIAQQHGRFCD-BBRMVZONSA-N 1 0 292.379 3.201 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000603859634 348099618 /nfs/dbraw/zinc/09/96/18/348099618.db2.gz LGOAZTHEZRKRDC-OKILXGFUSA-N 1 0 291.395 3.375 20 5 CGBDRO COc1cc(C[N@@H+]2CCCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000351922715 219250171 /nfs/dbraw/zinc/25/01/71/219250171.db2.gz JOTSNKAHDAYDQQ-LBPRGKRZSA-N 1 0 278.352 3.368 20 5 CGBDRO O=[N+]([O-])c1ncccc1NCCCCC[NH+]1CCCCC1 ZINC000609517133 348345994 /nfs/dbraw/zinc/34/59/94/348345994.db2.gz RQOWBMDRZOSSRD-UHFFFAOYSA-N 1 0 292.383 3.058 20 5 CGBDRO C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000339457959 215185638 /nfs/dbraw/zinc/18/56/38/215185638.db2.gz JJRGLOXHXKFZLP-FVOPLDGLSA-N 1 0 299.330 3.059 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H]1CCOC1 ZINC000610832270 348405723 /nfs/dbraw/zinc/40/57/23/348405723.db2.gz PGRUQFSYQWFDLY-MELADBBJSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610832622 348405848 /nfs/dbraw/zinc/40/58/48/348405848.db2.gz WJHHZQWKCXWAKQ-UPJWGTAASA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3cccnc3)CC2)cc1 ZINC000611258292 348431935 /nfs/dbraw/zinc/43/19/35/348431935.db2.gz DOMUFEHYMWKGCD-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000611293089 348435840 /nfs/dbraw/zinc/43/58/40/348435840.db2.gz DBPCGYMSGAYTBO-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611335504 348438703 /nfs/dbraw/zinc/43/87/03/348438703.db2.gz REUAQKUQWMTUPK-LBPRGKRZSA-N 1 0 285.347 3.457 20 5 CGBDRO CC1(C)C[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611468935 348454196 /nfs/dbraw/zinc/45/41/96/348454196.db2.gz XNPPIKNXCIPZQA-DZGCQCFKSA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501825 348456996 /nfs/dbraw/zinc/45/69/96/348456996.db2.gz ISNLZLBFDPWXEN-DOMZBBRYSA-N 1 0 296.342 3.044 20 5 CGBDRO C[C@H]([NH2+]C1CC(C(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000613559523 348618367 /nfs/dbraw/zinc/61/83/67/348618367.db2.gz SBQOGVUCWSAQGW-IDKOKCKLSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[NH+](CC)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352112883 219324071 /nfs/dbraw/zinc/32/40/71/219324071.db2.gz DNVKGPMIRAFENB-JTQLQIEISA-N 1 0 290.323 3.048 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000360492950 233473956 /nfs/dbraw/zinc/47/39/56/233473956.db2.gz VCZWKDHWTLYQSU-ZDUSSCGKSA-N 1 0 285.347 3.273 20 5 CGBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000291100524 197917491 /nfs/dbraw/zinc/91/74/91/197917491.db2.gz ZYZLSEGNKXIFOV-AWEZNQCLSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1c(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000123712972 187105571 /nfs/dbraw/zinc/10/55/71/187105571.db2.gz YIRPYCWZRKKRKK-DOMZBBRYSA-N 1 0 292.379 3.029 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000271515089 191185551 /nfs/dbraw/zinc/18/55/51/191185551.db2.gz PKBHQNYSSIWYOS-ZYHUDNBSSA-N 1 0 296.392 3.150 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292443972 198290537 /nfs/dbraw/zinc/29/05/37/198290537.db2.gz OSWRWFXJYGOAEI-CYBMUJFWSA-N 1 0 280.393 3.170 20 5 CGBDRO COC1(C)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000271706812 191283728 /nfs/dbraw/zinc/28/37/28/191283728.db2.gz IKZHSQBMWRZYFQ-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414230726 235369455 /nfs/dbraw/zinc/36/94/55/235369455.db2.gz OFHHNDKMNLDFCJ-MDZLAQPJSA-N 1 0 280.393 3.009 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414286308 235379395 /nfs/dbraw/zinc/37/93/95/235379395.db2.gz SHJOZBVOPSDUDB-ABHRYQDASA-N 1 0 292.379 3.367 20 5 CGBDRO CC1=CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000293712726 198742021 /nfs/dbraw/zinc/74/20/21/198742021.db2.gz UUUAWUDJKDVYTB-AWEZNQCLSA-N 1 0 260.337 3.226 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CC2 ZINC000417331550 235622919 /nfs/dbraw/zinc/62/29/19/235622919.db2.gz CBBOGITYTUEJHK-OCCSQVGLSA-N 1 0 274.364 3.306 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000426768853 236313064 /nfs/dbraw/zinc/31/30/64/236313064.db2.gz CSRHYVODDPZHTH-HUUCEWRRSA-N 1 0 274.364 3.259 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1ccccn1 ZINC000294757882 199168803 /nfs/dbraw/zinc/16/88/03/199168803.db2.gz IUWWVHVHDSPDEL-UHFFFAOYSA-N 1 0 291.376 3.119 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341883578 216138188 /nfs/dbraw/zinc/13/81/88/216138188.db2.gz FOKNVAGZCVGYRB-UXIGCNINSA-N 1 0 278.352 3.061 20 5 CGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301475767 201022062 /nfs/dbraw/zinc/02/20/62/201022062.db2.gz WERMVGUUUVDOPT-CYBMUJFWSA-N 1 0 295.358 3.045 20 5 CGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551240 201064405 /nfs/dbraw/zinc/06/44/05/201064405.db2.gz QRNIWNTWLGDJPP-ZWNOBZJWSA-N 1 0 297.786 3.025 20 5 CGBDRO Cc1ccc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000301584697 201080690 /nfs/dbraw/zinc/08/06/90/201080690.db2.gz ASJDNWWNHAUYDW-CQSZACIVSA-N 1 0 291.395 3.293 20 5 CGBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1cccs1 ZINC000301941331 201270242 /nfs/dbraw/zinc/27/02/42/201270242.db2.gz VRKKDYMKJTXXBY-SNVBAGLBSA-N 1 0 297.405 3.433 20 5 CGBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000302006304 201295210 /nfs/dbraw/zinc/29/52/10/201295210.db2.gz VRQHVUWGIIWJGK-MNOVXSKESA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1cncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449215113 239248477 /nfs/dbraw/zinc/24/84/77/239248477.db2.gz ZQQRTRJKUCZUOV-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCC23CCC3)c1 ZINC000449214377 239247854 /nfs/dbraw/zinc/24/78/54/239247854.db2.gz YPIOJQSRYMGLJD-HNNXBMFYSA-N 1 0 274.364 3.450 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(C)CC1 ZINC000449296272 239298074 /nfs/dbraw/zinc/29/80/74/239298074.db2.gz YJHFAKMCMAUXAS-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO COC1(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449338175 239326967 /nfs/dbraw/zinc/32/69/67/239326967.db2.gz FNJCHJZAIMPDKS-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO CCOC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000188774478 189513293 /nfs/dbraw/zinc/51/32/93/189513293.db2.gz UNIVFWNNDPHLTQ-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451523489 240317118 /nfs/dbraw/zinc/31/71/18/240317118.db2.gz JOEIFRJZTQVRLJ-MLGOLLRUSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959060 242320209 /nfs/dbraw/zinc/32/02/09/242320209.db2.gz RUKMRZRIEKVZJT-WDEREUQCSA-N 1 0 293.342 3.079 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468627522 242649247 /nfs/dbraw/zinc/64/92/47/242649247.db2.gz AVGCWDAEOFNITF-LRFDDAOPSA-N 1 0 292.379 3.139 20 5 CGBDRO CC1=C(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483338495 243277497 /nfs/dbraw/zinc/27/74/97/243277497.db2.gz PVXVKPDPBWFTHY-UHFFFAOYSA-N 1 0 260.337 3.179 20 5 CGBDRO C[C@@H]([NH2+]C/C=C/c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000486923688 243378860 /nfs/dbraw/zinc/37/88/60/243378860.db2.gz HYTDVVOKXSHTEY-ITDFMYJTSA-N 1 0 283.331 3.354 20 5 CGBDRO CCN(Cc1csc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000125343389 370935704 /nfs/dbraw/zinc/93/57/04/370935704.db2.gz ZQVOKQSSNILPME-UHFFFAOYSA-N 1 0 277.349 3.073 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000330679262 203109100 /nfs/dbraw/zinc/10/91/00/203109100.db2.gz DGTYSVFRRKDWHO-HNNXBMFYSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1c(C[N@H+](CCO)C2CCCCC2)cccc1[N+](=O)[O-] ZINC000050106542 369429384 /nfs/dbraw/zinc/42/93/84/369429384.db2.gz BWLQYLMHNLPSEX-UHFFFAOYSA-N 1 0 292.379 3.030 20 5 CGBDRO CSCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000069432615 369760708 /nfs/dbraw/zinc/76/07/08/369760708.db2.gz YNNVNDTZQRMFGL-UHFFFAOYSA-N 1 0 274.773 3.091 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000076056945 369927662 /nfs/dbraw/zinc/92/76/62/369927662.db2.gz PQASSVUVAJBONB-XJKSGUPXSA-N 1 0 291.395 3.072 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000344020676 217012439 /nfs/dbraw/zinc/01/24/39/217012439.db2.gz XPQFNFAQTONFCW-AWEZNQCLSA-N 1 0 260.337 3.217 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000135166063 371396878 /nfs/dbraw/zinc/39/68/78/371396878.db2.gz VEQZMYQQNNEUPA-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO C[NH2+]C(C)(C)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000336840462 213746383 /nfs/dbraw/zinc/74/63/83/213746383.db2.gz QENLAMRITFPESI-UHFFFAOYSA-N 1 0 291.273 3.024 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000421849752 371672205 /nfs/dbraw/zinc/67/22/05/371672205.db2.gz CFUAYCLJNRMKNJ-ZDUSSCGKSA-N 1 0 292.379 3.249 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000154442806 371846545 /nfs/dbraw/zinc/84/65/45/371846545.db2.gz GEQAAGOCPWOOCR-LLVKDONJSA-N 1 0 272.304 3.151 20 5 CGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718643 372081418 /nfs/dbraw/zinc/08/14/18/372081418.db2.gz JRWUVJVQPSIMKW-CJNGLKHVSA-N 1 0 292.379 3.110 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000159580197 372156805 /nfs/dbraw/zinc/15/68/05/372156805.db2.gz FCTDZDVTVADHDU-RYUDHWBXSA-N 1 0 280.393 3.449 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCSC1 ZINC000159658571 372165752 /nfs/dbraw/zinc/16/57/52/372165752.db2.gz ROQQXNQUEUOHTM-GXTWGEPZSA-N 1 0 294.420 3.401 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000160104400 372214180 /nfs/dbraw/zinc/21/41/80/372214180.db2.gz WVOKDLVHKYLNHU-JSGCOSHPSA-N 1 0 293.411 3.284 20 5 CGBDRO COCC1(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000292939115 372254858 /nfs/dbraw/zinc/25/48/58/372254858.db2.gz JTBKZGBGPAWOEP-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO COC1(C[C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000429420289 372364004 /nfs/dbraw/zinc/36/40/04/372364004.db2.gz VFTJTISTTGMYCY-LBPRGKRZSA-N 1 0 292.379 3.341 20 5 CGBDRO CCCC[N@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163504065 372475550 /nfs/dbraw/zinc/47/55/50/372475550.db2.gz DIJXVHXSFDNEFC-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000293711702 372457188 /nfs/dbraw/zinc/45/71/88/372457188.db2.gz PTODJFXCNYZSSQ-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccco2)cc1 ZINC000344660297 217265831 /nfs/dbraw/zinc/26/58/31/217265831.db2.gz DIWCGZHZJVEOKU-UHFFFAOYSA-N 1 0 274.320 3.300 20 5 CGBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000438368634 372944284 /nfs/dbraw/zinc/94/42/84/372944284.db2.gz URGJXLXIGWIKOE-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000441441624 373012949 /nfs/dbraw/zinc/01/29/49/373012949.db2.gz RWNIBKYCXQPRLK-SWLSCSKDSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCC(F)(F)C2)c1 ZINC000344769579 217305857 /nfs/dbraw/zinc/30/58/57/217305857.db2.gz FXOAVMBJDGIUNF-NSHDSACASA-N 1 0 270.279 3.262 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000446731630 373352580 /nfs/dbraw/zinc/35/25/80/373352580.db2.gz JXZAJLNOZXLYCT-LBPRGKRZSA-N 1 0 278.352 3.081 20 5 CGBDRO CN(CC[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000353621797 220199342 /nfs/dbraw/zinc/19/93/42/220199342.db2.gz MXQGXUUCWHKVIK-UHFFFAOYSA-N 1 0 299.374 3.163 20 5 CGBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000301072598 373648505 /nfs/dbraw/zinc/64/85/05/373648505.db2.gz HLZYMCOUBPXLKW-GFCCVEGCSA-N 1 0 283.347 3.122 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301093137 373656954 /nfs/dbraw/zinc/65/69/54/373656954.db2.gz MDKXXZBIYDDMHT-UHFFFAOYSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449484003 373774596 /nfs/dbraw/zinc/77/45/96/373774596.db2.gz KYQZDJROXHRWSO-QZWGFMDZSA-N 1 0 260.337 3.244 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000449474779 373762053 /nfs/dbraw/zinc/76/20/53/373762053.db2.gz KCVDXGPXUDCJGD-ZDUSSCGKSA-N 1 0 290.363 3.034 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178657574 373801828 /nfs/dbraw/zinc/80/18/28/373801828.db2.gz AJRAOWUNYZLQDG-OCCSQVGLSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000302524419 373887604 /nfs/dbraw/zinc/88/76/04/373887604.db2.gz ZHXGLUZUVUUZEQ-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000452085440 374230508 /nfs/dbraw/zinc/23/05/08/374230508.db2.gz NVAQDYZIEBCTBH-CQSZACIVSA-N 1 0 292.379 3.152 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311706017 374252924 /nfs/dbraw/zinc/25/29/24/374252924.db2.gz MVJNOEFLHNXFPU-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452113475 374238829 /nfs/dbraw/zinc/23/88/29/374238829.db2.gz CAGFIQBYGBKVRI-KGLIPLIRSA-N 1 0 292.379 3.059 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182244640 374244253 /nfs/dbraw/zinc/24/42/53/374244253.db2.gz CBAVYQRDOZRFAO-GXTWGEPZSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000314513375 374319546 /nfs/dbraw/zinc/31/95/46/374319546.db2.gz ZLAUUVRXPCOALK-DNOWBOINSA-N 1 0 292.379 3.105 20 5 CGBDRO COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000183281171 374395190 /nfs/dbraw/zinc/39/51/90/374395190.db2.gz STVKBXIEYHXGFP-UHFFFAOYSA-N 1 0 280.368 3.008 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1[N+](=O)[O-] ZINC000186614813 374887882 /nfs/dbraw/zinc/88/78/82/374887882.db2.gz VIHROJHSPKIOAA-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000187640737 375062526 /nfs/dbraw/zinc/06/25/26/375062526.db2.gz BMTLJUJEWGNXCA-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188020380 375142789 /nfs/dbraw/zinc/14/27/89/375142789.db2.gz YQBQBAPOMSYCET-GUTXKFCHSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000188578939 375236945 /nfs/dbraw/zinc/23/69/45/375236945.db2.gz FGCMVIVAPCTWGH-TZMCWYRMSA-N 1 0 276.336 3.247 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC23CCC3)cs1 ZINC000335717682 375373041 /nfs/dbraw/zinc/37/30/41/375373041.db2.gz SQUUKRPHFWBOQF-UHFFFAOYSA-N 1 0 252.339 3.175 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000191307577 375609729 /nfs/dbraw/zinc/60/97/29/375609729.db2.gz VYUOTGPBLFCPDE-AWEZNQCLSA-N 1 0 278.352 3.142 20 5 CGBDRO COC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000193274689 375851339 /nfs/dbraw/zinc/85/13/39/375851339.db2.gz PPHYJVVQSJZQNW-HNNXBMFYSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336792962 375942309 /nfs/dbraw/zinc/94/23/09/375942309.db2.gz UXQYJRSNFWNZFL-GXSJLCMTSA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1CCCC1)C2 ZINC000534510740 375991592 /nfs/dbraw/zinc/99/15/92/375991592.db2.gz XCJOJMDDURCLLR-UHFFFAOYSA-N 1 0 260.337 3.143 20 5 CGBDRO C[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000223845071 376264273 /nfs/dbraw/zinc/26/42/73/376264273.db2.gz VYYQFQRMUKLXKV-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)n1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000226241496 376345024 /nfs/dbraw/zinc/34/50/24/376345024.db2.gz XJVHBKXJHKBXQO-GFCCVEGCSA-N 1 0 288.351 3.223 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153872 376360693 /nfs/dbraw/zinc/36/06/93/376360693.db2.gz LCPMJRWIILEPKJ-ZFWWWQNUSA-N 1 0 262.353 3.306 20 5 CGBDRO CCCn1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000227284220 376386319 /nfs/dbraw/zinc/38/63/19/376386319.db2.gz WRSCYTFIYGBNKG-GFCCVEGCSA-N 1 0 288.351 3.052 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000540686690 376391188 /nfs/dbraw/zinc/39/11/88/376391188.db2.gz WPVZNKHRSCOTLI-BYCMXARLSA-N 1 0 292.379 3.052 20 5 CGBDRO Cc1cc(NCC[C@H](C)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000338748898 376513244 /nfs/dbraw/zinc/51/32/44/376513244.db2.gz CRAACCONPNANNF-VIFPVBQESA-N 1 0 277.299 3.033 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCCO1 ZINC000263921525 190085489 /nfs/dbraw/zinc/08/54/89/190085489.db2.gz ZEIXJGHVSAQWSB-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000231666846 376564913 /nfs/dbraw/zinc/56/49/13/376564913.db2.gz UNWLONQLFDWPJT-NILFDRSVSA-N 1 0 292.379 3.449 20 5 CGBDRO C[N@@H+](C/C=C\c1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338955829 376600952 /nfs/dbraw/zinc/60/09/52/376600952.db2.gz RLOQEIHVIUYEHV-HYXAFXHYSA-N 1 0 297.358 3.178 20 5 CGBDRO CCOC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000233779546 376602581 /nfs/dbraw/zinc/60/25/81/376602581.db2.gz SDBIHBUYXVDGFN-AWEZNQCLSA-N 1 0 280.368 3.054 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000339676476 376803959 /nfs/dbraw/zinc/80/39/59/376803959.db2.gz UKNUEXQXDXLNDG-CQSZACIVSA-N 1 0 260.337 3.217 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245498372 376832903 /nfs/dbraw/zinc/83/29/03/376832903.db2.gz VYRZDCUCPRAAMQ-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO CO[C@@H](CC(C)C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561235140 377214842 /nfs/dbraw/zinc/21/48/42/377214842.db2.gz ZGXVSAFNLINSFT-AWEZNQCLSA-N 1 0 292.379 3.014 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000248770142 377400905 /nfs/dbraw/zinc/40/09/05/377400905.db2.gz PTPKLKJIEXZCMB-BYCMXARLSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000129641450 249045483 /nfs/dbraw/zinc/04/54/83/249045483.db2.gz FDUUYDWPTOUESA-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169574 249006262 /nfs/dbraw/zinc/00/62/62/249006262.db2.gz XNYDFMLODAKDJU-LLVKDONJSA-N 1 0 289.335 3.358 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000275017177 249066320 /nfs/dbraw/zinc/06/63/20/249066320.db2.gz LSBFUEFSLKLCAZ-NEPJUHHUSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000249981301 377545348 /nfs/dbraw/zinc/54/53/48/377545348.db2.gz LJDCJOHOMAVBLP-KCQAQPDRSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cs1 ZINC000517560681 249267534 /nfs/dbraw/zinc/26/75/34/249267534.db2.gz SSOIDFVNPAPWDZ-ZDUSSCGKSA-N 1 0 289.360 3.041 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000342296012 377638877 /nfs/dbraw/zinc/63/88/77/377638877.db2.gz GQNGABDJIIWYLY-RYUDHWBXSA-N 1 0 278.352 3.366 20 5 CGBDRO CC(C)C[C@@H](C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000577986947 378028224 /nfs/dbraw/zinc/02/82/24/378028224.db2.gz VOAIJGFKQUCHDM-CYBMUJFWSA-N 1 0 264.369 3.409 20 5 CGBDRO Cc1cc(N2CCC[C@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000578586167 378083532 /nfs/dbraw/zinc/08/35/32/378083532.db2.gz NNZZDCSVFUSJJD-NSHDSACASA-N 1 0 289.310 3.390 20 5 CGBDRO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350111 378054362 /nfs/dbraw/zinc/05/43/62/378054362.db2.gz DFIYIWQGUKPOTK-ZIAGYGMSSA-N 1 0 292.379 3.403 20 5 CGBDRO CC(C)OCCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266723565 378025745 /nfs/dbraw/zinc/02/57/45/378025745.db2.gz IHPVUSYGDOMPOD-CYBMUJFWSA-N 1 0 280.368 3.403 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565218488 322067536 /nfs/dbraw/zinc/06/75/36/322067536.db2.gz RIKGKPSYXPDXBS-MFKMUULPSA-N 1 0 280.393 3.313 20 5 CGBDRO CC(C)([NH2+]CC1CC=CC1)c1ccccc1[N+](=O)[O-] ZINC000595509492 378403085 /nfs/dbraw/zinc/40/30/85/378403085.db2.gz GHRDGGNVPSBVSA-UHFFFAOYSA-N 1 0 260.337 3.386 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC1 ZINC000271167157 378469504 /nfs/dbraw/zinc/46/95/04/378469504.db2.gz SYUJQSBYJURFQD-JTQLQIEISA-N 1 0 266.366 3.218 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000271961613 378530778 /nfs/dbraw/zinc/53/07/78/378530778.db2.gz RGTLWKYMHWQNAL-HUBLWGQQSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H]([NH2+]CCOC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000272297649 378606942 /nfs/dbraw/zinc/60/69/42/378606942.db2.gz QVEDEAQGDOGGGL-OAHLLOKOSA-N 1 0 278.352 3.205 20 5 CGBDRO COC1(C[C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277156475 284732247 /nfs/dbraw/zinc/73/22/47/284732247.db2.gz QPOZVGBYZKABSC-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO [NH3+]CCN(C/C=C/c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348926984 379113844 /nfs/dbraw/zinc/11/38/44/379113844.db2.gz ZQCUOAPZDJPMMV-RMKNXTFCSA-N 1 0 297.358 3.073 20 5 CGBDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266501414 190261661 /nfs/dbraw/zinc/26/16/61/190261661.db2.gz VSRKKHNNZNJQSY-LLVKDONJSA-N 1 0 266.341 3.061 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000347585384 218281538 /nfs/dbraw/zinc/28/15/38/218281538.db2.gz UEWKONNRLGMQGT-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000374495228 379447311 /nfs/dbraw/zinc/44/73/11/379447311.db2.gz HVJNZRWXOQKXOB-PJODQICGSA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCCO1 ZINC000266680349 190274473 /nfs/dbraw/zinc/27/44/73/190274473.db2.gz AFTUPMIWWCEGOM-OLZOCXBDSA-N 1 0 278.352 3.157 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000377244914 379651455 /nfs/dbraw/zinc/65/14/55/379651455.db2.gz MUODNBQGMBXJSL-OAHLLOKOSA-N 1 0 297.358 3.054 20 5 CGBDRO CC[N@H+](C)C[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000267271036 190317006 /nfs/dbraw/zinc/31/70/06/190317006.db2.gz SHARBNMLUNLGII-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000352424851 379809972 /nfs/dbraw/zinc/80/99/72/379809972.db2.gz IOMQZYYWGQOYBW-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)CC2)ccc1[N+](=O)[O-] ZINC000352407917 379799630 /nfs/dbraw/zinc/79/96/30/379799630.db2.gz WJANHSOXISYAGN-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541616 379850669 /nfs/dbraw/zinc/85/06/69/379850669.db2.gz ZYOGEEZBDBGLRM-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388272727 379884547 /nfs/dbraw/zinc/88/45/47/379884547.db2.gz HTWPLAYNZNKZMU-UVBJJODRSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352796145 379966327 /nfs/dbraw/zinc/96/63/27/379966327.db2.gz GENKBMDQWRPMBB-LDYMZIIASA-N 1 0 286.784 3.089 20 5 CGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352803673 379970268 /nfs/dbraw/zinc/97/02/68/379970268.db2.gz ZAMUTXZHLQILRQ-KWQFWETISA-N 1 0 286.784 3.089 20 5 CGBDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000352899074 380026144 /nfs/dbraw/zinc/02/61/44/380026144.db2.gz GWVNCYALOWRFOX-XJKSGUPXSA-N 1 0 292.379 3.136 20 5 CGBDRO Cc1[nH+]ccc(NCCc2ccccc2[N+](=O)[O-])c1Cl ZINC000353163550 380147938 /nfs/dbraw/zinc/14/79/38/380147938.db2.gz NHLXYJICLABAAO-UHFFFAOYSA-N 1 0 291.738 3.028 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)C(C)C ZINC000414299138 380209792 /nfs/dbraw/zinc/20/97/92/380209792.db2.gz RAZOGPWTEJGMMO-INWMFGNUSA-N 1 0 294.395 3.349 20 5 CGBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414920696 380488907 /nfs/dbraw/zinc/48/89/07/380488907.db2.gz YNZGLTRJFBQJSV-INIZCTEOSA-N 1 0 297.358 3.344 20 5 CGBDRO C[NH2+]Cc1ccccc1NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000414857883 380459387 /nfs/dbraw/zinc/45/93/87/380459387.db2.gz GKNPLFBHLIQLMU-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC1CC1)CCCC2 ZINC000417306347 380588190 /nfs/dbraw/zinc/58/81/90/380588190.db2.gz CGRORUOSGJYHHI-HNNXBMFYSA-N 1 0 260.337 3.362 20 5 CGBDRO CC[C@H](O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311954 380589258 /nfs/dbraw/zinc/58/92/58/380589258.db2.gz MSPOBBRKOMPUJK-GOEBONIOSA-N 1 0 292.379 3.113 20 5 CGBDRO COC[C@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417341425 380598348 /nfs/dbraw/zinc/59/83/48/380598348.db2.gz NPEDQCSAPYCECH-MLGOLLRUSA-N 1 0 292.379 3.234 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](CO)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000355674069 380746291 /nfs/dbraw/zinc/74/62/91/380746291.db2.gz BKTZEBTXFMFGCJ-AWEZNQCLSA-N 1 0 294.395 3.180 20 5 CGBDRO CO[C@H](CC(C)C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000419275257 380793038 /nfs/dbraw/zinc/79/30/38/380793038.db2.gz YOYJWDWWKNINCN-MRXNPFEDSA-N 1 0 294.395 3.130 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421386094 380932160 /nfs/dbraw/zinc/93/21/60/380932160.db2.gz RBOCFYFYNUFZFW-VXGBXAGGSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000361346876 381708804 /nfs/dbraw/zinc/70/88/04/381708804.db2.gz REYVVXVZIKDNHH-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414239408 533008656 /nfs/dbraw/zinc/00/86/56/533008656.db2.gz YPIUDYHPJOPMMC-OZVIIMIRSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)cccc1[N+](=O)[O-] ZINC000281151717 195124936 /nfs/dbraw/zinc/12/49/36/195124936.db2.gz ONMXXYDZNRDLMJ-TZMCWYRMSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@@H]1F)CCC2 ZINC000340523020 285145719 /nfs/dbraw/zinc/14/57/19/285145719.db2.gz MARVAWODRBQGTO-ZNMIVQPWSA-N 1 0 278.327 3.452 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414293296 533436952 /nfs/dbraw/zinc/43/69/52/533436952.db2.gz YXMRXUNVDNOFTG-NRWUCQMLSA-N 1 0 278.352 3.059 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051881908 392074474 /nfs/dbraw/zinc/07/44/74/392074474.db2.gz JYRISGFIMWQURH-LBPRGKRZSA-N 1 0 290.363 3.237 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@@H](C)C1 ZINC000361647220 392285021 /nfs/dbraw/zinc/28/50/21/392285021.db2.gz XJMJSNXEUIIKPL-HIFRSBDPSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291101917 392456935 /nfs/dbraw/zinc/45/69/35/392456935.db2.gz DTZKGMQXVOYDNG-HZPDHXFCSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000177016211 392659579 /nfs/dbraw/zinc/65/95/79/392659579.db2.gz MPWLDSLYBRGDDW-UHFFFAOYSA-N 1 0 277.324 3.214 20 5 CGBDRO CC(C)C[C@@H](C)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332707747 392698762 /nfs/dbraw/zinc/69/87/62/392698762.db2.gz XOCJCCHASLAAMI-GFCCVEGCSA-N 1 0 277.368 3.030 20 5 CGBDRO C[C@H]1CCSCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000191811686 392833864 /nfs/dbraw/zinc/83/38/64/392833864.db2.gz ZSJWNCONWQVDLR-BPJJOFIESA-N 1 0 292.404 3.435 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](CC3CC3)CC2)c(F)c1 ZINC000194089812 392902099 /nfs/dbraw/zinc/90/20/99/392902099.db2.gz PLILCFFMGKEUKC-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000221019712 393004418 /nfs/dbraw/zinc/00/44/18/393004418.db2.gz LOKURYDMFBIIIB-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000346962526 393098040 /nfs/dbraw/zinc/09/80/40/393098040.db2.gz GPRQKZGSXYXTMP-KRWDZBQOSA-N 1 0 297.358 3.369 20 5 CGBDRO CC/C=C\CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000466831105 393062070 /nfs/dbraw/zinc/06/20/70/393062070.db2.gz KRGRAGMFIBNFSD-ARJAWSKDSA-N 1 0 289.379 3.073 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000546833243 393077706 /nfs/dbraw/zinc/07/77/06/393077706.db2.gz JFFYRKYPOHAECV-GFCCVEGCSA-N 1 0 292.379 3.471 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@H]1C ZINC000468635129 393156762 /nfs/dbraw/zinc/15/67/62/393156762.db2.gz MCEWCSYUYQDVCC-IMDQPDPASA-N 1 0 260.337 3.244 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCSC1 ZINC000470180402 393231865 /nfs/dbraw/zinc/23/18/65/393231865.db2.gz MPKUYIAAZINNQJ-PINLSGDHSA-N 1 0 292.404 3.435 20 5 CGBDRO Nc1cccc(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000420357500 393472788 /nfs/dbraw/zinc/47/27/88/393472788.db2.gz HYVFMUIHORAALK-UHFFFAOYSA-N 1 0 297.358 3.342 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555455 393476711 /nfs/dbraw/zinc/47/67/11/393476711.db2.gz FJZYIWYESCOEBT-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568798 393484846 /nfs/dbraw/zinc/48/48/46/393484846.db2.gz PNVLOTCDSGZINY-CMPLNLGQSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442333 393513962 /nfs/dbraw/zinc/51/39/62/393513962.db2.gz ULSLTPIGLOZSHD-UKRRQHHQSA-N 1 0 294.420 3.257 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193112 393536264 /nfs/dbraw/zinc/53/62/64/393536264.db2.gz FBKQIPQMDNJOJS-GFCCVEGCSA-N 1 0 280.368 3.471 20 5 CGBDRO Cc1c(C[N@@H+]2CC(C)=C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000430264472 393552229 /nfs/dbraw/zinc/55/22/29/393552229.db2.gz BHKNHLXVBDLSDR-NSHDSACASA-N 1 0 260.337 3.301 20 5 CGBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000361132201 393679644 /nfs/dbraw/zinc/67/96/44/393679644.db2.gz OFAFGGTVVNCPOE-LBPRGKRZSA-N 1 0 285.347 3.403 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490059586 393629560 /nfs/dbraw/zinc/62/95/60/393629560.db2.gz NHWDSOGQMNRYHI-LBPRGKRZSA-N 1 0 280.368 3.471 20 5 CGBDRO C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423017006 393647717 /nfs/dbraw/zinc/64/77/17/393647717.db2.gz NTPAFOGNHKOGKX-UVBJJODRSA-N 1 0 297.358 3.390 20 5 CGBDRO COC[C@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433153127 393690147 /nfs/dbraw/zinc/69/01/47/393690147.db2.gz OMJOSVMJNASLEN-ABAIWWIYSA-N 1 0 292.379 3.189 20 5 CGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000433238207 393701921 /nfs/dbraw/zinc/70/19/21/393701921.db2.gz FADWYSJJZKKMHL-CYBMUJFWSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@H]([NH2+]CCc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284050293 195969114 /nfs/dbraw/zinc/96/91/14/195969114.db2.gz KFJBWQVXIJODSB-JTQLQIEISA-N 1 0 291.376 3.132 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178659098 292066951 /nfs/dbraw/zinc/06/69/51/292066951.db2.gz IAOPQASKVRTKRE-VXGBXAGGSA-N 1 0 280.368 3.449 20 5 CGBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962056 286161175 /nfs/dbraw/zinc/16/11/75/286161175.db2.gz CBFWHDOXDNLICW-XJKSGUPXSA-N 1 0 292.379 3.465 20 5 CGBDRO CC(C)C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076904022 287036482 /nfs/dbraw/zinc/03/64/82/287036482.db2.gz ADOCPPMDFNTTME-UHFFFAOYSA-N 1 0 262.353 3.258 20 5 CGBDRO COC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000086701007 287083552 /nfs/dbraw/zinc/08/35/52/287083552.db2.gz LEMZEPXGUXJHAS-LBPRGKRZSA-N 1 0 286.759 3.009 20 5 CGBDRO COc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000066531895 165038019 /nfs/dbraw/zinc/03/80/19/165038019.db2.gz BJNGTQMCBFYNLE-VXGBXAGGSA-N 1 0 278.352 3.366 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000070357876 165059771 /nfs/dbraw/zinc/05/97/71/165059771.db2.gz QFUIHNPVNXLRJY-NOLJZWGESA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1cccnc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071339549 165069808 /nfs/dbraw/zinc/06/98/08/165069808.db2.gz LJPSKZSHRNPMAU-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000090224631 165232806 /nfs/dbraw/zinc/23/28/06/165232806.db2.gz UEJCIENOLHNBRC-AWEZNQCLSA-N 1 0 259.309 3.164 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000121405941 287198007 /nfs/dbraw/zinc/19/80/07/287198007.db2.gz XALSZJSZLPQIJH-BLLLJJGKSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]([NH2+]CCCCCF)c1ccccc1[N+](=O)[O-] ZINC000284312116 196026824 /nfs/dbraw/zinc/02/68/24/196026824.db2.gz ZXTYFILSQQDYON-NSHDSACASA-N 1 0 254.305 3.385 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020137495 171025412 /nfs/dbraw/zinc/02/54/12/171025412.db2.gz YWMQVSDTSUZFPL-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOC2CCCCC2)c1 ZINC000020191581 171057851 /nfs/dbraw/zinc/05/78/51/171057851.db2.gz UJNIRNVSZWJZCO-UHFFFAOYSA-N 1 0 292.379 3.424 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000020565972 171254553 /nfs/dbraw/zinc/25/45/53/171254553.db2.gz SZZXZSSAYBNKDP-WCQYABFASA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833632 196140617 /nfs/dbraw/zinc/14/06/17/196140617.db2.gz QPOSOVMYNHHTBN-HOTGVXAUSA-N 1 0 290.363 3.047 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833636 196141226 /nfs/dbraw/zinc/14/12/26/196141226.db2.gz QPOSOVMYNHHTBN-JKSUJKDBSA-N 1 0 290.363 3.047 20 5 CGBDRO CC(C)C[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677754 172348776 /nfs/dbraw/zinc/34/87/76/172348776.db2.gz DLMWHWGRIKKRCW-LBPRGKRZSA-N 1 0 250.342 3.162 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000035693263 172362075 /nfs/dbraw/zinc/36/20/75/172362075.db2.gz INNXWBMPCWRQSJ-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285591642 196337109 /nfs/dbraw/zinc/33/71/09/196337109.db2.gz BLVBFCXKUXZPQC-GWCFXTLKSA-N 1 0 293.323 3.171 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000037167374 173001874 /nfs/dbraw/zinc/00/18/74/173001874.db2.gz ZTXRPGIDPFBXIQ-QWRGUYRKSA-N 1 0 288.351 3.049 20 5 CGBDRO COCc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037500131 173237947 /nfs/dbraw/zinc/23/79/47/173237947.db2.gz PRMOOTWGOPPUFX-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000040506724 174302009 /nfs/dbraw/zinc/30/20/09/174302009.db2.gz XOXLXBDBKDMGDG-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO C[C@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000071376797 176141816 /nfs/dbraw/zinc/14/18/16/176141816.db2.gz JWFVADJJJQYDCV-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650991 274284872 /nfs/dbraw/zinc/28/48/72/274284872.db2.gz FFCMCUORZYGLGG-LLVKDONJSA-N 1 0 288.351 3.236 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000236043425 275033412 /nfs/dbraw/zinc/03/34/12/275033412.db2.gz HKCKYUHJYZIKNX-ZETCQYMHSA-N 1 0 290.150 3.066 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000250918374 287830990 /nfs/dbraw/zinc/83/09/90/287830990.db2.gz KQXWYSBTUDZFES-UXIGCNINSA-N 1 0 278.352 3.121 20 5 CGBDRO CCC[C@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279052197 276046430 /nfs/dbraw/zinc/04/64/30/276046430.db2.gz KFKLQMLTCLUECO-SWLSCSKDSA-N 1 0 292.379 3.068 20 5 CGBDRO CCC[C@H]([NH2+]CCC1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000395861126 288011183 /nfs/dbraw/zinc/01/11/83/288011183.db2.gz NDINEWMTUCRKGB-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000396922007 288018338 /nfs/dbraw/zinc/01/83/38/288018338.db2.gz ZZAGBQKZBDZJFI-SECBINFHSA-N 1 0 276.258 3.273 20 5 CGBDRO C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423146923 278285388 /nfs/dbraw/zinc/28/53/88/278285388.db2.gz QONVDXKQFRAWPW-JECHBYEQSA-N 1 0 297.358 3.390 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000397916629 288034676 /nfs/dbraw/zinc/03/46/76/288034676.db2.gz ISHWYXXQNPGOAU-CKYFFXLPSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000453245236 278364905 /nfs/dbraw/zinc/36/49/05/278364905.db2.gz HHMNAWYBSDLKLX-VHSXEESVSA-N 1 0 277.349 3.463 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000398030021 288037558 /nfs/dbraw/zinc/03/75/58/288037558.db2.gz JEYQWGWXOXXWJV-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000340448550 278379299 /nfs/dbraw/zinc/37/92/99/278379299.db2.gz MYRKIKPZGSVGGQ-GHMZBOCLSA-N 1 0 287.319 3.107 20 5 CGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493312798 279079834 /nfs/dbraw/zinc/07/98/34/279079834.db2.gz ZVTVZAGSCOHCFQ-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000550927476 289090896 /nfs/dbraw/zinc/09/08/96/289090896.db2.gz BSUVEKPZZIFHTI-HONMWMINSA-N 1 0 266.316 3.444 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000582145443 328301564 /nfs/dbraw/zinc/30/15/64/328301564.db2.gz HPBSTEYJJWWMOP-UHFFFAOYSA-N 1 0 282.343 3.099 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163818210 321898674 /nfs/dbraw/zinc/89/86/74/321898674.db2.gz DUVWBOXLBHCSQO-XEZPLFJOSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000167101344 321909345 /nfs/dbraw/zinc/90/93/45/321909345.db2.gz YTTRHPARPCJRHK-XJKSGUPXSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1cc[nH+]c(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000569495575 322248938 /nfs/dbraw/zinc/24/89/38/322248938.db2.gz JRSOBRAPTTUOAQ-UHFFFAOYSA-N 1 0 296.330 3.434 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C)(C)C1 ZINC000569988010 322262272 /nfs/dbraw/zinc/26/22/72/322262272.db2.gz CCVPSNZGNJMPSU-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572780284 322354563 /nfs/dbraw/zinc/35/45/63/322354563.db2.gz FMNAEXBQKNCPKY-SWLSCSKDSA-N 1 0 292.379 3.377 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCC12CC2 ZINC000574531679 322445738 /nfs/dbraw/zinc/44/57/38/322445738.db2.gz FJRRBQABAQYOAR-CQSZACIVSA-N 1 0 260.337 3.060 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000584242420 327125708 /nfs/dbraw/zinc/12/57/08/327125708.db2.gz SMLINASTUIVHDG-OAHLLOKOSA-N 1 0 286.331 3.316 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc(F)c(F)c2)c1 ZINC000190282330 328798442 /nfs/dbraw/zinc/79/84/42/328798442.db2.gz WDARSEUEZVYBGN-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOc1ccccc1 ZINC000584361120 329102388 /nfs/dbraw/zinc/10/23/88/329102388.db2.gz DCTRVQVUGSICQD-INIZCTEOSA-N 1 0 298.342 3.251 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC3CCC2CC3)c(F)c1 ZINC000383381831 336108222 /nfs/dbraw/zinc/10/82/22/336108222.db2.gz NGVKWVDWVFUPEN-QKFMDRJYSA-N 1 0 278.327 3.402 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1F ZINC000581617892 336113468 /nfs/dbraw/zinc/11/34/68/336113468.db2.gz IEAZEZOWRFWECX-HZSPNIEDSA-N 1 0 278.327 3.452 20 5 CGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000131614090 533823228 /nfs/dbraw/zinc/82/32/28/533823228.db2.gz BQTXQQIATDDJDI-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@H](Nc1sccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000302003634 534034596 /nfs/dbraw/zinc/03/45/96/534034596.db2.gz JUZLWCRHNSYXFS-VIFPVBQESA-N 1 0 271.386 3.045 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012316 520779964 /nfs/dbraw/zinc/77/99/64/520779964.db2.gz ATGWEYFIVPMZJX-HUUCEWRRSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773708 524220784 /nfs/dbraw/zinc/22/07/84/524220784.db2.gz BQUFOJIMMUOUHV-JOYOIKCWSA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773705 524337013 /nfs/dbraw/zinc/33/70/13/524337013.db2.gz BQUFOJIMMUOUHV-SKDRFNHKSA-N 1 0 252.289 3.012 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CCSC ZINC000126451758 525459126 /nfs/dbraw/zinc/45/91/26/525459126.db2.gz ZXOGJYBQLIXDRT-NSHDSACASA-N 1 0 298.408 3.177 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2CC2)c1 ZINC000088454670 527355599 /nfs/dbraw/zinc/35/55/99/527355599.db2.gz LTMLLVLHVFGWAU-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO CC[NH+](CC)CCSc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359084454 528165480 /nfs/dbraw/zinc/16/54/80/528165480.db2.gz QYBDWTOKIXMZNA-UHFFFAOYSA-N 1 0 283.397 3.041 20 5 CGBDRO CCC[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399991 528226937 /nfs/dbraw/zinc/22/69/37/528226937.db2.gz KUVLAQCISRSXML-HOTGVXAUSA-N 1 0 292.379 3.452 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293776 528823985 /nfs/dbraw/zinc/82/39/85/528823985.db2.gz ASKGTGOWHBILOB-DZGCQCFKSA-N 1 0 279.384 3.153 20 5 CGBDRO CCC[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000449378283 528955347 /nfs/dbraw/zinc/95/53/47/528955347.db2.gz QPHGVRKFPQUELR-OVHOFWQVSA-N 1 0 292.379 3.403 20 5 CGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173406241 529015229 /nfs/dbraw/zinc/01/52/29/529015229.db2.gz VIOGIHQMPFVFOD-BBRMVZONSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@@H]([NH2+]CCc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000411470258 529171204 /nfs/dbraw/zinc/17/12/04/529171204.db2.gz BSXGZIJUUODXHG-CQSZACIVSA-N 1 0 291.376 3.335 20 5 CGBDRO CC[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535817 529202144 /nfs/dbraw/zinc/20/21/44/529202144.db2.gz YMXGPJFVMISOTH-CVEARBPZSA-N 1 0 291.395 3.153 20 5 CGBDRO CC[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000449351129 529327067 /nfs/dbraw/zinc/32/70/67/529327067.db2.gz YEDYSBVQHAEGGV-ZENOOKHLSA-N 1 0 292.379 3.451 20 5 CGBDRO COCC[C@@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546331 536768173 /nfs/dbraw/zinc/76/81/73/536768173.db2.gz IVKSXCMJNNHSQM-HIFRSBDPSA-N 1 0 292.379 3.199 20 5 CGBDRO CCC[N@H+](CC)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728900473 571846781 /nfs/dbraw/zinc/84/67/81/571846781.db2.gz JQXGAADUAVGRMH-UHFFFAOYSA-N 1 0 288.351 3.148 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000742380455 572571565 /nfs/dbraw/zinc/57/15/65/572571565.db2.gz MGJZAZQAIIRGQR-HZMBPMFUSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675269 572890694 /nfs/dbraw/zinc/89/06/94/572890694.db2.gz RTKCLJLAWLMCKJ-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000747100454 572908967 /nfs/dbraw/zinc/90/89/67/572908967.db2.gz IBHPGYISHGPITP-ZDUSSCGKSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1 ZINC000252688111 617620339 /nfs/dbraw/zinc/62/03/39/617620339.db2.gz NFFVNNFDEZZTNG-TWJWRFFLSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000934235641 618556646 /nfs/dbraw/zinc/55/66/46/618556646.db2.gz VMLVYEGWBZYKJJ-LBPRGKRZSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000219158932 618717418 /nfs/dbraw/zinc/71/74/18/618717418.db2.gz OJPYQUMWVGBMOY-QMMMGPOBSA-N 1 0 294.298 3.498 20 5 CGBDRO C[C@H]1CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000783285198 618907257 /nfs/dbraw/zinc/90/72/57/618907257.db2.gz GJJCCDKYANOCSW-JOYOIKCWSA-N 1 0 268.744 3.179 20 5 CGBDRO C[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000220126891 619096378 /nfs/dbraw/zinc/09/63/78/619096378.db2.gz KMEVNIMZGMHWST-VIFPVBQESA-N 1 0 283.759 3.143 20 5 CGBDRO CCOc1cccc(NCC2([NH3+])CCCCC2)c1[N+](=O)[O-] ZINC000261802621 619437009 /nfs/dbraw/zinc/43/70/09/619437009.db2.gz YUOBKUOKRBACBU-UHFFFAOYSA-N 1 0 293.367 3.067 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000895435291 619826658 /nfs/dbraw/zinc/82/66/58/619826658.db2.gz ZHMTYVVOOMTPIM-PTEHBNRSSA-N 1 0 266.728 3.136 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895777617 619884545 /nfs/dbraw/zinc/88/45/45/619884545.db2.gz WVLHENBVWPKFFK-BETUJISGSA-N 1 0 292.404 3.006 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCF ZINC000895896109 619904426 /nfs/dbraw/zinc/90/44/26/619904426.db2.gz MQLBEAJXMBGWSA-XFXZXTDPSA-N 1 0 266.316 3.290 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000896512903 620016690 /nfs/dbraw/zinc/01/66/90/620016690.db2.gz WLFAFYBVTQOTMR-LALPHHSUSA-N 1 0 280.368 3.307 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000897450798 620338563 /nfs/dbraw/zinc/33/85/63/620338563.db2.gz HKGJPFOCXRHUDO-UHFFFAOYSA-N 1 0 292.379 3.137 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc([N+](=O)[O-])cc1 ZINC000901669043 620975403 /nfs/dbraw/zinc/97/54/03/620975403.db2.gz GFJAJJAQMPGJJD-OBCWZRDOSA-N 1 0 260.337 3.434 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCOC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903134226 621594076 /nfs/dbraw/zinc/59/40/76/621594076.db2.gz BVAIKGWEWFQYBM-NSHDSACASA-N 1 0 296.367 3.069 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903152593 621599215 /nfs/dbraw/zinc/59/92/15/621599215.db2.gz GPDPEYQGILTCAZ-NSHDSACASA-N 1 0 296.367 3.069 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000903302509 621668379 /nfs/dbraw/zinc/66/83/79/621668379.db2.gz BTAXYKVGNCDBHL-RCBQFDQVSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000903287857 621670826 /nfs/dbraw/zinc/67/08/26/621670826.db2.gz RMIZIYDZJWJWNI-NEPJUHHUSA-N 1 0 288.351 3.049 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C(C)(C)OC ZINC000903332654 621707142 /nfs/dbraw/zinc/70/71/42/621707142.db2.gz TWLODDKPOJJHCH-MNOVXSKESA-N 1 0 296.367 3.068 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903416882 621735918 /nfs/dbraw/zinc/73/59/18/621735918.db2.gz XEWCAJNDYVNDQG-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c(COc2ccc3c(c2)C[NH2+]C3)cccc1[N+](=O)[O-] ZINC000905612072 622089988 /nfs/dbraw/zinc/08/99/88/622089988.db2.gz GNJLNHRVPNLNTC-UHFFFAOYSA-N 1 0 284.315 3.085 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cncc([C@H]3CCC[NH2+]3)c2)cc1 ZINC000906170987 622166220 /nfs/dbraw/zinc/16/62/20/622166220.db2.gz AXIAKWXSDWUGCY-OAHLLOKOSA-N 1 0 269.304 3.081 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCc2ccccc21 ZINC000111390656 622527409 /nfs/dbraw/zinc/52/74/09/622527409.db2.gz VTVXYIGACGBUPH-CQSZACIVSA-N 1 0 282.343 3.414 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000111390659 622528062 /nfs/dbraw/zinc/52/80/62/622528062.db2.gz VTVXYIGACGBUPH-AWEZNQCLSA-N 1 0 282.343 3.414 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000788070497 625588258 /nfs/dbraw/zinc/58/82/58/625588258.db2.gz GQICBXUSOONJRH-SNVBAGLBSA-N 1 0 283.759 3.144 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000223957395 622867876 /nfs/dbraw/zinc/86/78/76/622867876.db2.gz OCTFKEWIQHKXID-ZDUSSCGKSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000252122993 623743977 /nfs/dbraw/zinc/74/39/77/623743977.db2.gz JPUOODSPAPTRSP-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO COCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000917100591 624240841 /nfs/dbraw/zinc/24/08/41/624240841.db2.gz SDICLSKEDHVJOC-UHFFFAOYSA-N 1 0 296.342 3.125 20 5 CGBDRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCCO1 ZINC000922816212 626050742 /nfs/dbraw/zinc/05/07/42/626050742.db2.gz HMZAUCWRBRPWPG-IOBAAEILSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000922836053 626053489 /nfs/dbraw/zinc/05/34/89/626053489.db2.gz HXGNCODFIOJKCL-KOLCDFICSA-N 1 0 284.356 3.108 20 5 CGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000156494963 626065018 /nfs/dbraw/zinc/06/50/18/626065018.db2.gz LJMBMJSSFDQYPK-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000922950800 626106667 /nfs/dbraw/zinc/10/66/67/626106667.db2.gz DOLQWNZJQIBWTG-CYBMUJFWSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000755996080 626667567 /nfs/dbraw/zinc/66/75/67/626667567.db2.gz OWUXFEDOQBAHKG-SNVBAGLBSA-N 1 0 268.744 3.480 20 5 CGBDRO CCC[NH+](CCC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764882411 627231772 /nfs/dbraw/zinc/23/17/72/627231772.db2.gz MCZQTNSCQFVJDH-UHFFFAOYSA-N 1 0 290.367 3.332 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000766270436 627308799 /nfs/dbraw/zinc/30/87/99/627308799.db2.gz BYNYXACYFIUMHL-JSGCOSHPSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@H]1CCC1CCCC1 ZINC000767755712 627434908 /nfs/dbraw/zinc/43/49/08/627434908.db2.gz VCNLEKGABSNFNG-AWEZNQCLSA-N 1 0 292.383 3.184 20 5 CGBDRO CC(C)C[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774626879 628010039 /nfs/dbraw/zinc/01/00/39/628010039.db2.gz MCUSRKCVFPPXJB-UHFFFAOYSA-N 1 0 296.758 3.143 20 5 CGBDRO CCC(CC)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581347 628221210 /nfs/dbraw/zinc/22/12/10/628221210.db2.gz HOJPRFKDVBCQGI-INIZCTEOSA-N 1 0 292.379 3.281 20 5 CGBDRO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776591679 628222233 /nfs/dbraw/zinc/22/22/33/628222233.db2.gz FOEFVDVRHPHBAF-INIZCTEOSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@@H](C1CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000782186410 628622210 /nfs/dbraw/zinc/62/22/10/628622210.db2.gz JTSMJFXXFOMABY-LBPRGKRZSA-N 1 0 290.363 3.237 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783630092 628733519 /nfs/dbraw/zinc/73/35/19/628733519.db2.gz RXEINSPTZYQXTK-JTQLQIEISA-N 1 0 268.744 3.384 20 5 CGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652731 628735789 /nfs/dbraw/zinc/73/57/89/628735789.db2.gz QAXYHVBBGHCORY-FZMZJTMJSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCCC2)cc1Cl ZINC000783675332 628738548 /nfs/dbraw/zinc/73/85/48/628738548.db2.gz ZBPVHNCFMLWHLT-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO C[C@H]([NH2+]Cc1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788528296 629062574 /nfs/dbraw/zinc/06/25/74/629062574.db2.gz QQWIKQFOOMXFLW-VIFPVBQESA-N 1 0 277.349 3.089 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788628773 629070409 /nfs/dbraw/zinc/07/04/09/629070409.db2.gz PEBKYKXUYQEWPQ-QMTHXVAHSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862517806 629390310 /nfs/dbraw/zinc/39/03/10/629390310.db2.gz USQIOLCCCQCDIX-RZGXBDKHSA-N 1 0 298.770 3.150 20 5 CGBDRO COCCC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000793330018 629444235 /nfs/dbraw/zinc/44/42/35/629444235.db2.gz TYKNMFARLSNPLW-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000793529741 629476884 /nfs/dbraw/zinc/47/68/84/629476884.db2.gz UHSYQZXWULOBDN-NWDGAFQWSA-N 1 0 288.351 3.049 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000799739029 630228819 /nfs/dbraw/zinc/22/88/19/630228819.db2.gz HLNPFPHKDYBATB-JSGCOSHPSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801524194 630340568 /nfs/dbraw/zinc/34/05/68/630340568.db2.gz FIIUZSUKDUXSBI-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802661003 630403771 /nfs/dbraw/zinc/40/37/71/630403771.db2.gz CWGVSIASKIFNLG-NSHDSACASA-N 1 0 286.784 3.232 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000865733974 630555965 /nfs/dbraw/zinc/55/59/65/630555965.db2.gz CYCWJJNGDRRTEV-HOMQSWHASA-N 1 0 286.784 3.232 20 5 CGBDRO C[N@H+](CCC(N)=O)Cc1c2ccccc2cc2ccccc21 ZINC000809713590 630788239 /nfs/dbraw/zinc/78/82/39/630788239.db2.gz JODJYKRSOUAYQY-UHFFFAOYSA-N 1 0 292.382 3.300 20 5 CGBDRO C[C@@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616963 631806781 /nfs/dbraw/zinc/80/67/81/631806781.db2.gz BNWKXXLLBSJYJO-YUMQZZPRSA-N 1 0 291.273 3.169 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000865872324 632931033 /nfs/dbraw/zinc/93/10/33/632931033.db2.gz VNJKYBORHJBFQM-TZMCWYRMSA-N 1 0 294.395 3.357 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000866058594 632987587 /nfs/dbraw/zinc/98/75/87/632987587.db2.gz BTRAPZHIIHWYNR-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO C[C@H](CCc1cccnc1)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000866274330 633058622 /nfs/dbraw/zinc/05/86/22/633058622.db2.gz INRCWCQVMFVXOI-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@H](CCc1cccnc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000866311297 633077035 /nfs/dbraw/zinc/07/70/35/633077035.db2.gz HYBZJYIJPNDBJR-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866342310 633088447 /nfs/dbraw/zinc/08/84/47/633088447.db2.gz CELPRZCOVMKESE-LLVKDONJSA-N 1 0 298.358 3.070 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866350252 633093540 /nfs/dbraw/zinc/09/35/40/633093540.db2.gz XUNDNBSWHCFHCK-JTQLQIEISA-N 1 0 298.383 3.150 20 5 CGBDRO CCOC1CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000876595506 634864584 /nfs/dbraw/zinc/86/45/84/634864584.db2.gz CARLRBKNDBWJDY-UHFFFAOYSA-N 1 0 292.379 3.213 20 5 CGBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000827252009 633475241 /nfs/dbraw/zinc/47/52/41/633475241.db2.gz TWJIDKBLVDCSGD-JQWIXIFHSA-N 1 0 298.770 3.295 20 5 CGBDRO COC[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029634 633948567 /nfs/dbraw/zinc/94/85/67/633948567.db2.gz XHBBOWJTGZKMSJ-GHMZBOCLSA-N 1 0 298.408 3.250 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872047007 633970895 /nfs/dbraw/zinc/97/08/95/633970895.db2.gz BAFIZANBWKEKDG-WDEREUQCSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061572 633983567 /nfs/dbraw/zinc/98/35/67/633983567.db2.gz ZDKOCRWXKGQQAE-NWDGAFQWSA-N 1 0 296.342 3.344 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872069659 633991069 /nfs/dbraw/zinc/99/10/69/633991069.db2.gz RSXSCAGTPHOPLS-NEPJUHHUSA-N 1 0 297.374 3.115 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872072885 633994515 /nfs/dbraw/zinc/99/45/15/633994515.db2.gz LAYFCFBJRLYQRH-DUVNUKRYSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872073395 633996126 /nfs/dbraw/zinc/99/61/26/633996126.db2.gz QJWVHLMWIIRVKN-BONVTDFDSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088312 634014580 /nfs/dbraw/zinc/01/45/80/634014580.db2.gz PTTZSYWHMDEURW-RKDXNWHRSA-N 1 0 288.269 3.430 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832565290 634072691 /nfs/dbraw/zinc/07/26/91/634072691.db2.gz RSFYOAZRBPVMSG-JTQLQIEISA-N 1 0 266.316 3.497 20 5 CGBDRO CCC(C)(C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872221175 634085339 /nfs/dbraw/zinc/08/53/39/634085339.db2.gz XKOGRXSFUKVXLW-CQSZACIVSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccco1 ZINC000873008013 634231104 /nfs/dbraw/zinc/23/11/04/634231104.db2.gz LQACVWBPEVEACC-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO Cc1occc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873020528 634232350 /nfs/dbraw/zinc/23/23/50/634232350.db2.gz VIZSLCMNMJUBAM-UHFFFAOYSA-N 1 0 274.320 3.403 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)C[C@H](C)O ZINC000873060109 634238608 /nfs/dbraw/zinc/23/86/08/634238608.db2.gz FDMKFGDTMUBCNK-LBPRGKRZSA-N 1 0 294.395 3.098 20 5 CGBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000834814988 634245755 /nfs/dbraw/zinc/24/57/55/634245755.db2.gz RMIZIYDZJWJWNI-RYUDHWBXSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1c(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873104061 634247379 /nfs/dbraw/zinc/24/73/79/634247379.db2.gz IINASRMXYSEDTR-TZMCWYRMSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1nccnc1[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000873188821 634276186 /nfs/dbraw/zinc/27/61/86/634276186.db2.gz MJLGGVPIZXNFFT-HWPRWLFBSA-N 1 0 298.346 3.057 20 5 CGBDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877812885 635219039 /nfs/dbraw/zinc/21/90/39/635219039.db2.gz CDFCIKFUMXKFDX-GFCCVEGCSA-N 1 0 288.269 3.369 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000126724949 635225003 /nfs/dbraw/zinc/22/50/03/635225003.db2.gz JSJATUJRKQIKQR-YGRLFVJLSA-N 1 0 292.360 3.041 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000877827562 635229248 /nfs/dbraw/zinc/22/92/48/635229248.db2.gz BNQOSUJYNZCRMD-TYNCELHUSA-N 1 0 280.368 3.307 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)c1 ZINC000880315378 635972472 /nfs/dbraw/zinc/97/24/72/635972472.db2.gz LNJDYBHHFUAYJT-GFCCVEGCSA-N 1 0 289.360 3.041 20 5 CGBDRO CSCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130749566 636506647 /nfs/dbraw/zinc/50/66/47/636506647.db2.gz BAZXACUCRZPROW-SECBINFHSA-N 1 0 288.800 3.479 20 5 CGBDRO CC(C)c1c[nH]c(CN[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000883131610 636549686 /nfs/dbraw/zinc/54/96/86/636549686.db2.gz KIGMLMYCZSVSBH-NSHDSACASA-N 1 0 288.351 3.292 20 5 CGBDRO CCC[N@H+](CC)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476779 636579457 /nfs/dbraw/zinc/57/94/57/636579457.db2.gz GHLCGCMQTQKQOQ-UHFFFAOYSA-N 1 0 288.351 3.148 20 5 CGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC=CC1 ZINC000848922810 636694281 /nfs/dbraw/zinc/69/42/81/636694281.db2.gz ZOBRWMXPIAMHNE-UHFFFAOYSA-N 1 0 266.728 3.447 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C1(C)CC1 ZINC000850450119 637070287 /nfs/dbraw/zinc/07/02/87/637070287.db2.gz CPTSMMDIBYXFAB-WDEREUQCSA-N 1 0 278.352 3.443 20 5 CGBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000884719032 637135832 /nfs/dbraw/zinc/13/58/32/637135832.db2.gz WVMJRWWPLILYCX-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO CC(C)CC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886042226 637382562 /nfs/dbraw/zinc/38/25/62/637382562.db2.gz XRSSUMRIJXSLNW-UHFFFAOYSA-N 1 0 277.368 3.248 20 5 CGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043886 637383895 /nfs/dbraw/zinc/38/38/95/637383895.db2.gz LYKUCZZVUYGZTC-GXTWGEPZSA-N 1 0 277.368 3.390 20 5 CGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140966 637433518 /nfs/dbraw/zinc/43/35/18/637433518.db2.gz SZCAYVATUDKECL-DGCLKSJQSA-N 1 0 263.341 3.048 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@@H](C)C1 ZINC000886239116 637467231 /nfs/dbraw/zinc/46/72/31/637467231.db2.gz PRIQBDKVECPQKP-AGIUHOORSA-N 1 0 277.368 3.294 20 5 CGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000924798355 638405894 /nfs/dbraw/zinc/40/58/94/638405894.db2.gz NAYQVSMQVGNPBT-SOURHHEESA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC23CCCCC3)cc1 ZINC000925312702 638495353 /nfs/dbraw/zinc/49/53/53/638495353.db2.gz JFMAWLVSBIHHMY-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000925491459 638511177 /nfs/dbraw/zinc/51/11/77/638511177.db2.gz FGXGYWXSJDVIFG-RYUDHWBXSA-N 1 0 286.335 3.105 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OCC ZINC000858451027 638722472 /nfs/dbraw/zinc/72/24/72/638722472.db2.gz MBPPELQUZMWHIA-WCQYABFASA-N 1 0 295.383 3.033 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858537083 638757656 /nfs/dbraw/zinc/75/76/56/638757656.db2.gz MBWMOQZYTLUMIB-YGSHXTJESA-N 1 0 289.379 3.264 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926493571 638777775 /nfs/dbraw/zinc/77/77/75/638777775.db2.gz UUMCHSVACXEOBU-UWVGGRQHSA-N 1 0 268.744 3.405 20 5 CGBDRO COC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000927096883 638841152 /nfs/dbraw/zinc/84/11/52/638841152.db2.gz JJZPFYLWHBPXBU-OCCSQVGLSA-N 1 0 280.368 3.164 20 5 CGBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000930233842 638984970 /nfs/dbraw/zinc/98/49/70/638984970.db2.gz VKMIGHFIEIYJLY-LBPRGKRZSA-N 1 0 290.285 3.269 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCCCCC1 ZINC000047540410 640018614 /nfs/dbraw/zinc/01/86/14/640018614.db2.gz ZDDRYRUUUZGSNS-UHFFFAOYSA-N 1 0 252.289 3.110 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1CC=CCC1 ZINC000088748413 640622603 /nfs/dbraw/zinc/62/26/03/640622603.db2.gz CHRXPRYMNZFSKG-GFCCVEGCSA-N 1 0 266.728 3.447 20 5 CGBDRO Cc1cnc(-n2ccc3cc([C@H](C)[NH3+])ccc32)c([N+](=O)[O-])c1 ZINC001155339158 805574039 /nfs/dbraw/zinc/57/40/39/805574039.db2.gz GQNPCEJJUYRXPR-NSHDSACASA-N 1 0 296.330 3.262 20 5 CGBDRO CC[C@H]1C[C@@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373771 806387543 /nfs/dbraw/zinc/38/75/43/806387543.db2.gz HJFXCVHDRHSIQB-LRDDRELGSA-N 1 0 290.363 3.116 20 5 CGBDRO CCC(C)(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464473 806411575 /nfs/dbraw/zinc/41/15/75/806411575.db2.gz CRZKJBXRMVSALM-UHFFFAOYSA-N 1 0 291.395 3.342 20 5 CGBDRO C[NH+](C)CCCCNc1cc([N+](=O)[O-])ccc1Cl ZINC001161730712 806438951 /nfs/dbraw/zinc/43/89/51/806438951.db2.gz AZOYOWVAXUUAHY-UHFFFAOYSA-N 1 0 271.748 3.002 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001254531675 806444838 /nfs/dbraw/zinc/44/48/38/806444838.db2.gz GPYCYCOPTPHODE-YRGRVCCFSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccccn1 ZINC001254539076 806446415 /nfs/dbraw/zinc/44/64/15/806446415.db2.gz BMVWDHLPNVAZCN-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccoc1 ZINC001254541371 806446657 /nfs/dbraw/zinc/44/66/57/806446657.db2.gz GYDVWFOTHUJFTG-NEPJUHHUSA-N 1 0 274.320 3.470 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558552 806449248 /nfs/dbraw/zinc/44/92/48/806449248.db2.gz CKMNGXPMDJEFNW-ZFWWWQNUSA-N 1 0 292.379 3.027 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553092 806449472 /nfs/dbraw/zinc/44/94/72/806449472.db2.gz SCLZJBMQGPCFKH-DZGCQCFKSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C(C)(C)C ZINC001254562583 806451442 /nfs/dbraw/zinc/45/14/42/806451442.db2.gz NMVFWNKCNGPUDO-NSHDSACASA-N 1 0 250.342 3.256 20 5 CGBDRO C=Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254576517 806454232 /nfs/dbraw/zinc/45/42/32/806454232.db2.gz WRNDIAWAXFGUFK-QGZVFWFLSA-N 1 0 294.354 3.495 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001254572465 806454339 /nfs/dbraw/zinc/45/43/39/806454339.db2.gz OGNCDAOMEDENQA-QGZVFWFLSA-N 1 0 296.370 3.469 20 5 CGBDRO CCc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254573104 806454612 /nfs/dbraw/zinc/45/46/12/806454612.db2.gz WQYGAOXUOHAVBP-QGZVFWFLSA-N 1 0 296.370 3.414 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254572808 806454755 /nfs/dbraw/zinc/45/47/55/806454755.db2.gz SISADODYTDWBCF-ZWNOBZJWSA-N 1 0 262.353 3.086 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC001254596843 806456646 /nfs/dbraw/zinc/45/66/46/806456646.db2.gz GCTGDRZGBQVFKT-ZBFHGGJFSA-N 1 0 286.375 3.374 20 5 CGBDRO C[N@H+](CC1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604971 806460010 /nfs/dbraw/zinc/46/00/10/806460010.db2.gz ZRDIUOCZKMRNJQ-INIZCTEOSA-N 1 0 274.364 3.184 20 5 CGBDRO Cc1cccc(-n2c3ccccc3nc2[C@@H](C)[NH3+])c1[N+](=O)[O-] ZINC001162767650 806662029 /nfs/dbraw/zinc/66/20/29/806662029.db2.gz ZRBFNLGCNLBLHH-LLVKDONJSA-N 1 0 296.330 3.262 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@]23CCC[C@@H]2[NH2+]CC3)c2ccccc21 ZINC001162987291 806690586 /nfs/dbraw/zinc/69/05/86/806690586.db2.gz CWXOODQCFCRXSS-DLBZAZTESA-N 1 0 297.358 3.445 20 5 CGBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000037082226 798857683 /nfs/dbraw/zinc/85/76/83/798857683.db2.gz PISQHJNXTREXOO-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@H](C3CC3)C2)c1 ZINC000400307436 799545064 /nfs/dbraw/zinc/54/50/64/799545064.db2.gz YIJQDWPMFMFFSN-NSHDSACASA-N 1 0 280.755 3.480 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000688295850 799747439 /nfs/dbraw/zinc/74/74/39/799747439.db2.gz FAFYADPLSHBPFH-LBPRGKRZSA-N 1 0 296.754 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OC[C@H]2CCCC[NH2+]C2)c1 ZINC000697080283 799843224 /nfs/dbraw/zinc/84/32/24/799843224.db2.gz BNDBVXPQHALJCO-JTQLQIEISA-N 1 0 284.743 3.017 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1C=CCC1 ZINC000698286077 799855451 /nfs/dbraw/zinc/85/54/51/799855451.db2.gz YYRUQQZFRAWYKJ-NSHDSACASA-N 1 0 252.701 3.056 20 5 CGBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000712550187 800094096 /nfs/dbraw/zinc/09/40/96/800094096.db2.gz SVLLXQHZWQWRES-SNVBAGLBSA-N 1 0 285.294 3.039 20 5 CGBDRO C[C@@H]1[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719599494 800244663 /nfs/dbraw/zinc/24/46/63/800244663.db2.gz JQUFRNKOEHHXCB-SCZZXKLOSA-N 1 0 285.294 3.037 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000720229564 800253308 /nfs/dbraw/zinc/25/33/08/800253308.db2.gz ROSQGIIYSXPMIN-SECBINFHSA-N 1 0 286.759 3.151 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000720244712 800254830 /nfs/dbraw/zinc/25/48/30/800254830.db2.gz AIGMHMSYHUDLGP-MNOVXSKESA-N 1 0 266.341 3.059 20 5 CGBDRO CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000720977134 800274383 /nfs/dbraw/zinc/27/43/83/800274383.db2.gz LOIYNFVDFAASMB-UHFFFAOYSA-N 1 0 276.308 3.181 20 5 CGBDRO CCc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000765995403 800383740 /nfs/dbraw/zinc/38/37/40/800383740.db2.gz VVHKFMMOJHITME-LLVKDONJSA-N 1 0 288.351 3.040 20 5 CGBDRO CC(C)N(CCC[NH3+])c1cc2ccccc2c([N+](=O)[O-])c1 ZINC001164128806 806898023 /nfs/dbraw/zinc/89/80/23/806898023.db2.gz JQJIRORVGARPED-UHFFFAOYSA-N 1 0 287.363 3.312 20 5 CGBDRO CC[N@H+](C)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC001164400447 806944605 /nfs/dbraw/zinc/94/46/05/806944605.db2.gz DGQLNWPXLGLUNA-NSHDSACASA-N 1 0 299.321 3.063 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCCC(F)(F)F)c1 ZINC001119952604 802713132 /nfs/dbraw/zinc/71/31/32/802713132.db2.gz AVSKOXIOPIMPNO-UHFFFAOYSA-N 1 0 276.258 3.069 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2coc3ccccc23)C1 ZINC001168977713 807544676 /nfs/dbraw/zinc/54/46/76/807544676.db2.gz LKHPEEGOUZJVBY-TZMCWYRMSA-N 1 0 288.347 3.010 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001168976315 807545028 /nfs/dbraw/zinc/54/50/28/807545028.db2.gz CPTUDKWCADMMDM-LSDHHAIUSA-N 1 0 268.401 3.382 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC001168978074 807546000 /nfs/dbraw/zinc/54/60/00/807546000.db2.gz OEFJQKYZQFBEOA-RCBQFDQVSA-N 1 0 274.364 3.173 20 5 CGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978602 807546005 /nfs/dbraw/zinc/54/60/05/807546005.db2.gz STHLOJQAYZJWLZ-INWMFGNUSA-N 1 0 274.364 3.017 20 5 CGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978601 807546212 /nfs/dbraw/zinc/54/62/12/807546212.db2.gz STHLOJQAYZJWLZ-BJJXKVORSA-N 1 0 274.364 3.017 20 5 CGBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168984619 807546910 /nfs/dbraw/zinc/54/69/10/807546910.db2.gz PCEAXCOEBFFLJE-IIAWOOMASA-N 1 0 276.380 3.399 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987273 807546933 /nfs/dbraw/zinc/54/69/33/807546933.db2.gz HXBNOFDGBLDZSH-BZPMIXESSA-N 1 0 280.343 3.230 20 5 CGBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168986999 807546969 /nfs/dbraw/zinc/54/69/69/807546969.db2.gz GYJGVLRVONPHLY-KKUMJFAQSA-N 1 0 276.380 3.399 20 5 CGBDRO CC(C)(Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999025 807548713 /nfs/dbraw/zinc/54/87/13/807548713.db2.gz RAJCALHAMCMRTH-DZGCQCFKSA-N 1 0 294.370 3.182 20 5 CGBDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006778 807550527 /nfs/dbraw/zinc/55/05/27/807550527.db2.gz YWUXKDGPDNOHFW-MNOVXSKESA-N 1 0 295.770 3.009 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCc3ccccc32)C1 ZINC001169006979 807552096 /nfs/dbraw/zinc/55/20/96/807552096.db2.gz ZZSKGRDNCSVADE-BMFZPTHFSA-N 1 0 288.391 3.142 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036407 807555469 /nfs/dbraw/zinc/55/54/69/807555469.db2.gz OBXZNSBUYPYZKQ-XHDPSFHLSA-N 1 0 294.782 3.144 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040934 807556962 /nfs/dbraw/zinc/55/69/62/807556962.db2.gz ADORUNPJPWWAHJ-WBVHZDCISA-N 1 0 288.391 3.487 20 5 CGBDRO CC1(C)C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039261 807557098 /nfs/dbraw/zinc/55/70/98/807557098.db2.gz OSEIKYGSLWJAQH-HIFRSBDPSA-N 1 0 288.391 3.225 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049149 807558415 /nfs/dbraw/zinc/55/84/15/807558415.db2.gz WAGCHPZGIIBSKD-JKSUJKDBSA-N 1 0 290.407 3.385 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050634 807560350 /nfs/dbraw/zinc/56/03/50/807560350.db2.gz CBXIBNDHAJOVBP-KGLIPLIRSA-N 1 0 266.385 3.088 20 5 CGBDRO [NH3+]Cc1ccn(-c2cc3cccnc3c3ncccc23)c1 ZINC001169726297 807698997 /nfs/dbraw/zinc/69/89/97/807698997.db2.gz QTGGBDGXNFVXSG-UHFFFAOYSA-N 1 0 274.327 3.032 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]C2(C)CCC2)c([N+](=O)[O-])c1 ZINC001170297147 807820444 /nfs/dbraw/zinc/82/04/44/807820444.db2.gz KLHGNESETDPSJN-NSHDSACASA-N 1 0 278.352 3.067 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]C[Si](C)(C)C)c([N+](=O)[O-])c1 ZINC001170315293 807824941 /nfs/dbraw/zinc/82/49/41/807824941.db2.gz WRPHEPFRBKCHCT-LLVKDONJSA-N 1 0 296.443 3.001 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001170326439 807826611 /nfs/dbraw/zinc/82/66/11/807826611.db2.gz JTSQQTJMMSVKSH-NWDGAFQWSA-N 1 0 292.379 3.313 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328681 807827077 /nfs/dbraw/zinc/82/70/77/807827077.db2.gz LJZDVPUTTOGKQS-CHWSQXEVSA-N 1 0 292.379 3.409 20 5 CGBDRO CC(C)C[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908210 808476119 /nfs/dbraw/zinc/47/61/19/808476119.db2.gz LCRMUYLVSVWVLP-HNNXBMFYSA-N 1 0 276.380 3.430 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccccn1 ZINC001173220319 808539764 /nfs/dbraw/zinc/53/97/64/808539764.db2.gz YGXSUVWLDVBDJX-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC=CCC1 ZINC001173218174 808539843 /nfs/dbraw/zinc/53/98/43/808539843.db2.gz BXKOFIVHZGWLGR-OCCSQVGLSA-N 1 0 260.337 3.224 20 5 CGBDRO CCC[N@H+](CC)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226485 808541057 /nfs/dbraw/zinc/54/10/57/808541057.db2.gz LYYJJCBKRJXVPI-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CF)C1 ZINC001173228849 808541849 /nfs/dbraw/zinc/54/18/49/808541849.db2.gz ZKEYYIKFCDWFGZ-OCCSQVGLSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cncs1 ZINC001173230217 808543078 /nfs/dbraw/zinc/54/30/78/808543078.db2.gz CVUYJOLYKRQVMX-LLVKDONJSA-N 1 0 291.376 3.114 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2ccc(O)cc2)c1 ZINC001200390087 811685250 /nfs/dbraw/zinc/68/52/50/811685250.db2.gz FUNAWRFUFMMPEL-UHFFFAOYSA-N 1 0 286.331 3.023 20 5 CGBDRO Cc1cn2cc(Nc3cccc([N+](=O)[O-])c3)ccc2n1 ZINC001204440409 812639381 /nfs/dbraw/zinc/63/93/81/812639381.db2.gz YDNRJHVZDOFIDZ-UHFFFAOYSA-N 1 0 268.276 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c2ccccc21 ZINC001217924887 816001774 /nfs/dbraw/zinc/00/17/74/816001774.db2.gz NKHDDDMMKBVJNX-RGYTYGDFSA-N 1 0 298.342 3.015 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001217954655 816015531 /nfs/dbraw/zinc/01/55/31/816015531.db2.gz HTXQVYIOAONEIL-CZIWCDLHSA-N 1 0 298.342 3.391 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001217989563 816037104 /nfs/dbraw/zinc/03/71/04/816037104.db2.gz MWLCZFKRBVMLFY-TVQRCGJNSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218048509 816074037 /nfs/dbraw/zinc/07/40/37/816074037.db2.gz ZJGGORZFAWPASV-SVRRBLITSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@H]1C[C@@H](Oc2ccc3nc4ccccc4nc3c2)CC[NH2+]1 ZINC001218056447 816078975 /nfs/dbraw/zinc/07/89/75/816078975.db2.gz ODUBSQDOUMAMGX-JSGCOSHPSA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2CCC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001218079549 816087384 /nfs/dbraw/zinc/08/73/84/816087384.db2.gz FTMVQTXZVDUYIG-CQSZACIVSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218122044 816107390 /nfs/dbraw/zinc/10/73/90/816107390.db2.gz ZGRQHCXZRAWUHM-UONOGXRCSA-N 1 0 296.754 3.078 20 5 CGBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)c12 ZINC001218147187 816114007 /nfs/dbraw/zinc/11/40/07/816114007.db2.gz KRSOIQKNIDJCMA-QWHZDKJVSA-N 1 0 290.366 3.375 20 5 CGBDRO Cc1cc(C)c(OC2CCC3(C[NH2+]C3)CC2)c([N+](=O)[O-])c1 ZINC001218263473 816145637 /nfs/dbraw/zinc/14/56/37/816145637.db2.gz GXPSMQIMZQYGJP-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=c1c2ccccc2oc2cc(O[C@H]3CCC[NH2+]C3)ccc21 ZINC001218282727 816152033 /nfs/dbraw/zinc/15/20/33/816152033.db2.gz AOXFXWJWBTXUIU-ZDUSSCGKSA-N 1 0 295.338 3.077 20 5 CGBDRO F[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218320442 816166510 /nfs/dbraw/zinc/16/65/10/816166510.db2.gz YYRVAUAPDSWJOL-ZBFHGGJFSA-N 1 0 296.345 3.467 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@@H]4C[NH2+]C[C@@H]34)cc2c1 ZINC001218327736 816167901 /nfs/dbraw/zinc/16/79/01/816167901.db2.gz UAKNCRBSWGBHLA-IIDMSEBBSA-N 1 0 290.366 3.375 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218390787 816187386 /nfs/dbraw/zinc/18/73/86/816187386.db2.gz YXZNPDRPZJWOTE-MEDUHNTESA-N 1 0 279.339 3.438 20 5 CGBDRO C[C@H]1CC[C@H](Oc2ccnc3c2ccc2cccnc23)C[NH2+]1 ZINC001218405888 816198700 /nfs/dbraw/zinc/19/87/00/816198700.db2.gz HMENUEIQSCIIPH-JSGCOSHPSA-N 1 0 293.370 3.302 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218411793 816201723 /nfs/dbraw/zinc/20/17/23/816201723.db2.gz BEQZHECQXRLMBS-BLLLJJGKSA-N 1 0 293.370 3.160 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218411811 816201850 /nfs/dbraw/zinc/20/18/50/816201850.db2.gz BTGJOARSZAYKEW-SGTLLEGYSA-N 1 0 293.370 3.160 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001218412664 816202268 /nfs/dbraw/zinc/20/22/68/816202268.db2.gz CSXXWIYJQNROOU-NHYWBVRUSA-N 1 0 286.331 3.125 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218419221 816205541 /nfs/dbraw/zinc/20/55/41/816205541.db2.gz ASZUFUILYMJYGV-FZMZJTMJSA-N 1 0 286.331 3.125 20 5 CGBDRO CC1(C)C[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218475072 816233078 /nfs/dbraw/zinc/23/30/78/816233078.db2.gz JNTPQSOIZJXADF-SNVBAGLBSA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001218486708 816242523 /nfs/dbraw/zinc/24/25/23/816242523.db2.gz FLWZICKAQIOORK-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218491330 816244708 /nfs/dbraw/zinc/24/47/08/816244708.db2.gz WMPKAEKJVUJYJC-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1cc(C)c(CO[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001222901066 816531309 /nfs/dbraw/zinc/53/13/09/816531309.db2.gz QSYNRPZOCCLXJU-OAHLLOKOSA-N 1 0 250.406 3.223 20 5 CGBDRO C[C@H](C[N+](C)(C)C)O[C@](F)(Cl)c1ccccc1 ZINC001222958844 816541536 /nfs/dbraw/zinc/54/15/36/816541536.db2.gz ZVOBANAVTWLTSU-YPMHNXCESA-N 1 0 260.760 3.117 20 5 CGBDRO CCCOc1ccc(CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001223209065 816588444 /nfs/dbraw/zinc/58/84/44/816588444.db2.gz GEFBYZLCAWVUGW-CQSZACIVSA-N 1 0 266.405 3.087 20 5 CGBDRO C[C@@H](OCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001224454775 816806955 /nfs/dbraw/zinc/80/69/55/816806955.db2.gz RPIPRAWSMMJEGR-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO C[N+](C)(C)CCO[C@@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001224772851 816877899 /nfs/dbraw/zinc/87/78/99/816877899.db2.gz CFZNFKPNOCHLEM-CQSZACIVSA-N 1 0 288.333 3.416 20 5 CGBDRO C[N+](C)(C)CCO[C@H]1CCc2cc(Cl)ccc21 ZINC001224775712 816879910 /nfs/dbraw/zinc/87/99/10/816879910.db2.gz NKXWTDIRYRFHMZ-AWEZNQCLSA-N 1 0 254.781 3.050 20 5 CGBDRO CC[NH+](CC)CCO[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001224928600 816909993 /nfs/dbraw/zinc/90/99/93/816909993.db2.gz USCDKYLJYNGOGE-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(OC(F)(F)F)c1 ZINC001225321329 817008886 /nfs/dbraw/zinc/00/88/86/817008886.db2.gz JIMRYZIBNXULCB-JTQLQIEISA-N 1 0 278.294 3.059 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)c(F)c1 ZINC001225576983 817097835 /nfs/dbraw/zinc/09/78/35/817097835.db2.gz IYUKJIYDAJAPIS-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO O=[N+]([O-])c1cccc(O[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001226764846 817457793 /nfs/dbraw/zinc/45/77/93/817457793.db2.gz MQFCZMIUNORGJX-KRWDZBQOSA-N 1 0 298.342 3.248 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC001226842334 817482159 /nfs/dbraw/zinc/48/21/59/817482159.db2.gz UXKOIYOLMUGCMS-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1Br ZINC001227371875 817634842 /nfs/dbraw/zinc/63/48/42/817634842.db2.gz NMSKIHIEJKULKH-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228755046 817999841 /nfs/dbraw/zinc/99/98/41/817999841.db2.gz GAEUMYALSZGJLZ-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2cc(Cl)ccc2c1 ZINC001231142781 818042114 /nfs/dbraw/zinc/04/21/14/818042114.db2.gz NBLFVIIWRXDHPF-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2c(Cl)cccc2c1 ZINC001231157378 818046779 /nfs/dbraw/zinc/04/67/79/818046779.db2.gz CVBQKBZSYQLZKM-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1c(O[C@@H](C)C[N+](C)(C)C)cnc2ccccc21 ZINC001233723021 818691018 /nfs/dbraw/zinc/69/10/18/818691018.db2.gz LOGAXAVAUOOMIA-LBPRGKRZSA-N 1 0 259.373 3.017 20 5 CGBDRO COc1ccc(C(F)(F)F)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234055342 818769454 /nfs/dbraw/zinc/76/94/54/818769454.db2.gz SLNHEZNUBQBXOX-SNVBAGLBSA-N 1 0 292.321 3.188 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087097 818776442 /nfs/dbraw/zinc/77/64/42/818776442.db2.gz MBZOXOJGMVNEJU-CQSZACIVSA-N 1 0 293.370 3.256 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914856 928075483 /nfs/dbraw/zinc/07/54/83/928075483.db2.gz KYDYLWAYQKXODG-NSHDSACASA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC001461639155 937590121 /nfs/dbraw/zinc/59/01/21/937590121.db2.gz ZZGBOOONXLTWIL-JSGCOSHPSA-N 1 0 292.379 3.259 20 5 CGBDRO CC(C)(C)N1CC(Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229962316 932511638 /nfs/dbraw/zinc/51/16/38/932511638.db2.gz VALSCEIVLSMYDB-UHFFFAOYSA-N 1 0 284.743 3.110 20 5 CGBDRO Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1Cl ZINC001229974734 932513614 /nfs/dbraw/zinc/51/36/14/932513614.db2.gz IFGYNXXYMWTMLC-LLVKDONJSA-N 1 0 298.770 3.418 20 5 CGBDRO CC(C)c1nc(O[C@H](C)C[N+](C)(C)C)nc2ccccc21 ZINC001230080547 932533567 /nfs/dbraw/zinc/53/35/67/932533567.db2.gz PXVSQRZPRIESKA-CYBMUJFWSA-N 1 0 288.415 3.227 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)cccc1C(C)(C)C ZINC001230373041 932566143 /nfs/dbraw/zinc/56/61/43/932566143.db2.gz OKMYYPADJFYDLE-GFCCVEGCSA-O 1 0 266.405 3.163 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001230626180 932600395 /nfs/dbraw/zinc/60/03/95/932600395.db2.gz DCQTZBHLXLZQDW-LLVKDONJSA-N 1 0 274.320 3.077 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC1CC[NH+](C(C)C)CC1 ZINC001230724755 932615026 /nfs/dbraw/zinc/61/50/26/932615026.db2.gz ZDVQFYFLBRWPCF-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1nc2cc(Cl)ccc2c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001230800935 932626148 /nfs/dbraw/zinc/62/61/48/932626148.db2.gz GWXPKTGAOKXCCJ-JTQLQIEISA-N 1 0 294.806 3.065 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415062 932949564 /nfs/dbraw/zinc/94/95/64/932949564.db2.gz LSLOVLYVCGOKHM-KBPBESRZSA-N 1 0 291.395 3.151 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001307710416 932990009 /nfs/dbraw/zinc/99/00/09/932990009.db2.gz UZIKIATUJNVOEP-DVOMOZLQSA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC001307710418 932990138 /nfs/dbraw/zinc/99/01/38/932990138.db2.gz UZIKIATUJNVOEP-WWGRRREGSA-N 1 0 292.379 3.388 20 5 CGBDRO CCC[C@H](C)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462550284 937649810 /nfs/dbraw/zinc/64/98/10/937649810.db2.gz YVEUGEFVHKGGAP-NSHDSACASA-N 1 0 296.367 3.225 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC001321093566 934148990 /nfs/dbraw/zinc/14/89/90/934148990.db2.gz CFWVAEDWYGBGMD-UHFFFAOYSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C/C=C\C2CC2)c1 ZINC001324491255 934513312 /nfs/dbraw/zinc/51/33/12/934513312.db2.gz KJDTVWFBFZCMKZ-UPHRSURJSA-N 1 0 298.289 3.252 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C/C=C/C2CC2)c1 ZINC001324491254 934513550 /nfs/dbraw/zinc/51/35/50/934513550.db2.gz KJDTVWFBFZCMKZ-OWOJBTEDSA-N 1 0 298.289 3.252 20 5 CGBDRO C=C/C=C/CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473217736 937798276 /nfs/dbraw/zinc/79/82/76/937798276.db2.gz KEPMNPDVCLSJOW-ONEGZZNKSA-N 1 0 258.321 3.085 20 5 CGBDRO C[C@@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473214344 937797791 /nfs/dbraw/zinc/79/77/91/937797791.db2.gz UOMAIQZEGLKRHB-SECBINFHSA-N 1 0 299.168 3.199 20 5 CGBDRO C[C@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001473714260 937818573 /nfs/dbraw/zinc/81/85/73/937818573.db2.gz ORTZDOLHEGRUON-WBMJQRKESA-N 1 0 294.395 3.074 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001473859279 937825163 /nfs/dbraw/zinc/82/51/63/937825163.db2.gz FXLYASQTHZAJHU-LLVKDONJSA-N 1 0 288.351 3.236 20 5 CGBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001474558038 937866607 /nfs/dbraw/zinc/86/66/07/937866607.db2.gz PFIOXMXVWGZHCT-SJCJKPOMSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001474558037 937866728 /nfs/dbraw/zinc/86/67/28/937866728.db2.gz PFIOXMXVWGZHCT-PXAZEXFGSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001474558042 937866866 /nfs/dbraw/zinc/86/68/66/937866866.db2.gz PFIOXMXVWGZHCT-SJKOYZFVSA-N 1 0 298.342 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(C3CCCC3)C2)cc1 ZINC001474569880 937867825 /nfs/dbraw/zinc/86/78/25/937867825.db2.gz NRNVZRHFFPWROM-UHFFFAOYSA-N 1 0 274.364 3.259 20 5 CGBDRO C[C@@H](C[NH2+]C[C@@]1(C)CCCCO1)c1ccccc1[N+](=O)[O-] ZINC001474727683 937877549 /nfs/dbraw/zinc/87/75/49/937877549.db2.gz KBDCNOFPBHJVOL-XJKSGUPXSA-N 1 0 292.379 3.247 20 5 CGBDRO CCC1(CC)CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560120435 938244566 /nfs/dbraw/zinc/24/45/66/938244566.db2.gz WVUXSZSZPMJIHT-OAHLLOKOSA-N 1 0 292.379 3.283 20 5 CGBDRO C[C@H]1CCCC[C@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001560809692 938277084 /nfs/dbraw/zinc/27/70/84/938277084.db2.gz VIOPBAVMOAKADL-KBPBESRZSA-N 1 0 291.395 3.186 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OC(F)(F)F)cc1F ZINC001230567246 957848183 /nfs/dbraw/zinc/84/81/83/957848183.db2.gz GTNLDQIDHUWOTH-SECBINFHSA-N 1 0 296.284 3.198 20 5 CGBDRO Cc1ccc(NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001559184142 960604914 /nfs/dbraw/zinc/60/49/14/960604914.db2.gz WOEUWZOKAOUKSS-OAHLLOKOSA-N 1 0 291.395 3.436 20 5 CGBDRO Cc1ccc(N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579723465 962666374 /nfs/dbraw/zinc/66/63/74/962666374.db2.gz BTMMLQWREXIALK-KCPJHIHWSA-N 1 0 289.379 3.092 20 5 CGBDRO [NH3+]Cc1cccc(Nc2nc3ccccc3cc2[N+](=O)[O-])c1 ZINC001580344753 962713834 /nfs/dbraw/zinc/71/38/34/962713834.db2.gz TXQBFVIZPPYYEV-UHFFFAOYSA-N 1 0 294.314 3.345 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C2CC2)C1 ZINC000589736738 346809711 /nfs/dbraw/zinc/80/97/11/346809711.db2.gz GDGBWPCDFUIQTP-GHXNOFRVSA-N 1 0 272.348 3.340 20 5 CGBDRO CC(C)([NH2+]Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000590053320 346824306 /nfs/dbraw/zinc/82/43/06/346824306.db2.gz HZYIUWKGDBUZRB-UHFFFAOYSA-N 1 0 286.331 3.325 20 5 CGBDRO Cc1cccnc1CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000294978187 199280536 /nfs/dbraw/zinc/28/05/36/199280536.db2.gz JNKHWHIRSINGOR-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO CCCCOCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000128046427 187348477 /nfs/dbraw/zinc/34/84/77/187348477.db2.gz IMZCFCYPMHLDBZ-ZDUSSCGKSA-N 1 0 280.368 3.452 20 5 CGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592188347 346970573 /nfs/dbraw/zinc/97/05/73/346970573.db2.gz MUMNOVYIZPGXCJ-CYBMUJFWSA-N 1 0 290.363 3.128 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000592373023 346979762 /nfs/dbraw/zinc/97/97/62/346979762.db2.gz PGMMMDHNYSMCEH-QMMMGPOBSA-N 1 0 276.258 3.115 20 5 CGBDRO COc1ccc(C[NH2+]CC2CCC(F)CC2)cc1[N+](=O)[O-] ZINC000592376637 346980233 /nfs/dbraw/zinc/98/02/33/346980233.db2.gz CTWIORSJFJLUJR-UHFFFAOYSA-N 1 0 296.342 3.221 20 5 CGBDRO CCCC[C@@](C)(CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592374464 346980283 /nfs/dbraw/zinc/98/02/83/346980283.db2.gz IUPXHJKLNBUTTJ-GQSKFBFOSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592380337 346980821 /nfs/dbraw/zinc/98/08/21/346980821.db2.gz RYNZQZFLRWQRPT-BJVUIWQCSA-N 1 0 272.348 3.386 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592380338 346980830 /nfs/dbraw/zinc/98/08/30/346980830.db2.gz RYNZQZFLRWQRPT-GPEQFZLPSA-N 1 0 272.348 3.386 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000592397501 346983689 /nfs/dbraw/zinc/98/36/89/346983689.db2.gz MJZYMPJOMKGJDE-YUTCNCBUSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000592398794 346983705 /nfs/dbraw/zinc/98/37/05/346983705.db2.gz UJSJQOXRZPQSCV-NOLJZWGESA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(CN2CCC23CCCC3)c(F)c1 ZINC000593037898 347029918 /nfs/dbraw/zinc/02/99/18/347029918.db2.gz DTJFWSTXWSMMNO-UHFFFAOYSA-N 1 0 282.290 3.392 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593116562 347041333 /nfs/dbraw/zinc/04/13/33/347041333.db2.gz MJDRTKPUVPBQBY-ZDUSSCGKSA-N 1 0 282.290 3.134 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046058602 345034078 /nfs/dbraw/zinc/03/40/78/345034078.db2.gz CBFBSWUCBGJHNL-GFCCVEGCSA-N 1 0 266.341 3.094 20 5 CGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCCC1 ZINC000047965380 345057059 /nfs/dbraw/zinc/05/70/59/345057059.db2.gz PHIZOVWAGHIHBS-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000051907686 345093891 /nfs/dbraw/zinc/09/38/91/345093891.db2.gz DWZQYMCNPLIVIF-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090587992 345790429 /nfs/dbraw/zinc/79/04/29/345790429.db2.gz PRMBKJUCAKBBMU-AAEUAGOBSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000096610055 345903212 /nfs/dbraw/zinc/90/32/12/345903212.db2.gz JNSWZFRBAXUBTB-NSHDSACASA-N 1 0 250.342 3.367 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000103472635 345921523 /nfs/dbraw/zinc/92/15/23/345921523.db2.gz DKSVOKMVIKVEAC-FZMZJTMJSA-N 1 0 278.327 3.498 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)C(C)(C)C ZINC000125430335 346016554 /nfs/dbraw/zinc/01/65/54/346016554.db2.gz HBPMVPJNCWBNBD-LLVKDONJSA-N 1 0 280.368 3.375 20 5 CGBDRO C[C@@H](c1cccnc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000127777635 346034458 /nfs/dbraw/zinc/03/44/58/346034458.db2.gz HIYGDWKOLOSUFG-NSHDSACASA-N 1 0 289.310 3.322 20 5 CGBDRO CCCn1nccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160097806 346170213 /nfs/dbraw/zinc/17/02/13/346170213.db2.gz KUKIRFDQTICYCH-LBPRGKRZSA-N 1 0 288.351 3.052 20 5 CGBDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000219189549 346294115 /nfs/dbraw/zinc/29/41/15/346294115.db2.gz FSXDNMMBIKTRHS-ZIAGYGMSSA-N 1 0 280.393 3.359 20 5 CGBDRO CCOc1cc(N[C@@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000315035567 346482636 /nfs/dbraw/zinc/48/26/36/346482636.db2.gz WXTHCFMRHUPHND-LBPRGKRZSA-N 1 0 295.383 3.134 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000593620967 347096874 /nfs/dbraw/zinc/09/68/74/347096874.db2.gz GOUSXPJKWYAJIG-CQSZACIVSA-N 1 0 294.395 3.444 20 5 CGBDRO Cc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000593676895 347102944 /nfs/dbraw/zinc/10/29/44/347102944.db2.gz OXNARYBNRQONAL-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000584572033 346684030 /nfs/dbraw/zinc/68/40/30/346684030.db2.gz WAAULHPUEZYXDE-GFCCVEGCSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000593718415 347107582 /nfs/dbraw/zinc/10/75/82/347107582.db2.gz GYMBMMBKIKLTCX-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO COc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000594029083 347140353 /nfs/dbraw/zinc/14/03/53/347140353.db2.gz PBPDUVMSVLTJIC-UHFFFAOYSA-N 1 0 298.342 3.162 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594042202 347143030 /nfs/dbraw/zinc/14/30/30/347143030.db2.gz ICEJATMGXOFKPJ-HOTGVXAUSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594519835 347188183 /nfs/dbraw/zinc/18/81/83/347188183.db2.gz LTBIGSZGISMMEQ-HZPDHXFCSA-N 1 0 292.379 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]23C[C@@H]2CCC3)c(Cl)c1 ZINC000594953330 347239544 /nfs/dbraw/zinc/23/95/44/347239544.db2.gz RYEKFJHOOGTNLL-GWCFXTLKSA-N 1 0 266.728 3.280 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccoc1 ZINC000594983980 347248322 /nfs/dbraw/zinc/24/83/22/347248322.db2.gz YYQBQDOHYSYJPU-LCYFTJDESA-N 1 0 286.331 3.423 20 5 CGBDRO CC1(C)CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307929 347290181 /nfs/dbraw/zinc/29/01/81/347290181.db2.gz NJXXUYDEVXDLIO-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC3(CCCCC3)C2)c1[N+](=O)[O-] ZINC000595311118 347290285 /nfs/dbraw/zinc/29/02/85/347290285.db2.gz AMEJSYWBLVDARE-UHFFFAOYSA-N 1 0 293.367 3.438 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005306 347254489 /nfs/dbraw/zinc/25/44/89/347254489.db2.gz BVOJSLFAPJQNIH-GHMZBOCLSA-N 1 0 266.341 3.443 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595039679 347266158 /nfs/dbraw/zinc/26/61/58/347266158.db2.gz AFJGMJXAKMVSHO-ABAIWWIYSA-N 1 0 296.367 3.069 20 5 CGBDRO CCSCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040800 347266500 /nfs/dbraw/zinc/26/65/00/347266500.db2.gz XVZAWYNWBRICAI-NSHDSACASA-N 1 0 298.408 3.397 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000595052090 347269805 /nfs/dbraw/zinc/26/98/05/347269805.db2.gz QMTOQZQMYVNQQX-OUAUKWLOSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595413659 347300310 /nfs/dbraw/zinc/30/03/10/347300310.db2.gz FFHPFPAUCPGSNN-VTPLQMEGSA-N 1 0 260.337 3.292 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000595065401 347275209 /nfs/dbraw/zinc/27/52/09/347275209.db2.gz DQAMVXBIBRFTKA-QEJZJMRPSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000595092885 347280972 /nfs/dbraw/zinc/28/09/72/347280972.db2.gz ZWTPNPNTHWEONT-HNNXBMFYSA-N 1 0 274.320 3.471 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000595092886 347281307 /nfs/dbraw/zinc/28/13/07/347281307.db2.gz ZWTPNPNTHWEONT-OAHLLOKOSA-N 1 0 274.320 3.471 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000339289537 215070392 /nfs/dbraw/zinc/07/03/92/215070392.db2.gz KWXWBZFARXLGAM-MRXNPFEDSA-N 1 0 285.347 3.303 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595429167 347302369 /nfs/dbraw/zinc/30/23/69/347302369.db2.gz MJEWKAQVNVWREC-SNVBAGLBSA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595523562 347316005 /nfs/dbraw/zinc/31/60/05/347316005.db2.gz SUPZKZVIFVDJPT-JTQLQIEISA-N 1 0 266.316 3.497 20 5 CGBDRO CC(C)CC1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000595832519 347362575 /nfs/dbraw/zinc/36/25/75/347362575.db2.gz WOTFKZZCQPTZDP-UHFFFAOYSA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1cc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596076751 347379439 /nfs/dbraw/zinc/37/94/39/347379439.db2.gz ORMHXEVVGSVIIS-UHFFFAOYSA-N 1 0 271.386 3.107 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596476293 347463683 /nfs/dbraw/zinc/46/36/83/347463683.db2.gz BUGPBLJCLOLEKW-LLVKDONJSA-N 1 0 295.408 3.475 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(CC2CC2)C1 ZINC000598678464 347677790 /nfs/dbraw/zinc/67/77/90/347677790.db2.gz PMVAXWGNIHBNLW-UHFFFAOYSA-N 1 0 260.337 3.135 20 5 CGBDRO Cc1ccc(C[NH+]2CC(CC3CC3)C2)cc1[N+](=O)[O-] ZINC000598678500 347678096 /nfs/dbraw/zinc/67/80/96/347678096.db2.gz QPIAWFNFJVDQIJ-UHFFFAOYSA-N 1 0 260.337 3.135 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598680522 347678812 /nfs/dbraw/zinc/67/88/12/347678812.db2.gz ZLVBFUAKJGCHSA-MWLCHTKSSA-N 1 0 270.279 3.291 20 5 CGBDRO CCC[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OCC ZINC000598989629 347704101 /nfs/dbraw/zinc/70/41/01/347704101.db2.gz OOTAHHAQUAGFLB-XMELGKRDSA-N 1 0 292.379 3.403 20 5 CGBDRO CC[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056069 347711441 /nfs/dbraw/zinc/71/14/41/347711441.db2.gz JGVMGUPGGMPGBZ-CJNGLKHVSA-N 1 0 292.379 3.452 20 5 CGBDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599068307 347713717 /nfs/dbraw/zinc/71/37/17/347713717.db2.gz MJMIIMFLEYYHFW-OCCSQVGLSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000599075043 347715055 /nfs/dbraw/zinc/71/50/55/347715055.db2.gz REGGXCLUQJMUEA-VSBZFQJLSA-N 1 0 278.352 3.057 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599165236 347722555 /nfs/dbraw/zinc/72/25/55/347722555.db2.gz OJROKGFBRSSZLB-CYBMUJFWSA-N 1 0 293.342 3.163 20 5 CGBDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000599354504 347738957 /nfs/dbraw/zinc/73/89/57/347738957.db2.gz PPIZYMSYQIAQIY-BLLLJJGKSA-N 1 0 292.379 3.369 20 5 CGBDRO CCO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000599354506 347739019 /nfs/dbraw/zinc/73/90/19/347739019.db2.gz PPIZYMSYQIAQIY-MLGOLLRUSA-N 1 0 292.379 3.369 20 5 CGBDRO COCCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000599506513 347748565 /nfs/dbraw/zinc/74/85/65/347748565.db2.gz FCJATHFTUMPXGM-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599624979 347758833 /nfs/dbraw/zinc/75/88/33/347758833.db2.gz KPYKBPNKCLGETO-LFNDISMMSA-N 1 0 298.770 3.150 20 5 CGBDRO C[C@H]1CC(F)(F)CCN1Cc1ccc([N+](=O)[O-])cc1F ZINC000599621602 347758972 /nfs/dbraw/zinc/75/89/72/347758972.db2.gz BPFXAXXHFBYBKT-VIFPVBQESA-N 1 0 288.269 3.354 20 5 CGBDRO C[C@@]1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000600142977 347784016 /nfs/dbraw/zinc/78/40/16/347784016.db2.gz UWBTYXDQGHNQGH-AWEZNQCLSA-N 1 0 280.393 3.013 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1conc1C ZINC000601141485 347874626 /nfs/dbraw/zinc/87/46/26/347874626.db2.gz DVYQPIFFUVMCJK-WDZFZDKYSA-N 1 0 287.319 3.084 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601306849 347890505 /nfs/dbraw/zinc/89/05/05/347890505.db2.gz SRRWMNHJWUMVFD-AVPPRXQKSA-N 1 0 274.242 3.196 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@@H]3CC=CCC3)nc2c1 ZINC000602525920 347976095 /nfs/dbraw/zinc/97/60/95/347976095.db2.gz UAXUXMWDMNUZJW-LLVKDONJSA-N 1 0 287.319 3.182 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]1CCC(C)C ZINC000602786086 348028158 /nfs/dbraw/zinc/02/81/58/348028158.db2.gz VTFVCIARUKJMFT-CQSZACIVSA-N 1 0 294.399 3.000 20 5 CGBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000602685463 348009125 /nfs/dbraw/zinc/00/91/25/348009125.db2.gz PPSQTYUMTSEIDD-UHFFFAOYSA-N 1 0 289.335 3.404 20 5 CGBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000602701377 348012651 /nfs/dbraw/zinc/01/26/51/348012651.db2.gz QDORHLZSQCTIKN-SNVBAGLBSA-N 1 0 272.295 3.018 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000603859696 348099223 /nfs/dbraw/zinc/09/92/23/348099223.db2.gz SRZVZQJTSXBUFQ-ZIAGYGMSSA-N 1 0 291.395 3.375 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1cccnc1[N+](=O)[O-] ZINC000608788510 348326925 /nfs/dbraw/zinc/32/69/25/348326925.db2.gz DDGKZJUBCDXORX-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO Cc1occc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000608836601 348332250 /nfs/dbraw/zinc/33/22/50/348332250.db2.gz XGMNCNMPJSPTGF-XQRVVYSFSA-N 1 0 272.304 3.299 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2cccnc2c1 ZINC000608982516 348334805 /nfs/dbraw/zinc/33/48/05/348334805.db2.gz PJCLFLWSABKDRF-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609354024 348342719 /nfs/dbraw/zinc/34/27/19/348342719.db2.gz GZKXODKDRMXGAL-PHIMTYICSA-N 1 0 283.397 3.331 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000609384305 348343207 /nfs/dbraw/zinc/34/32/07/348343207.db2.gz HRTYDMXJBVRBNW-LLVKDONJSA-N 1 0 295.770 3.144 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582308 348391149 /nfs/dbraw/zinc/39/11/49/348391149.db2.gz GJYDGSOMJMVVHE-WDEREUQCSA-N 1 0 289.335 3.356 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000611268560 348433095 /nfs/dbraw/zinc/43/30/95/348433095.db2.gz PDFLRHPOXYDSHY-OMVNSRBRSA-N 1 0 272.348 3.482 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611300440 348436515 /nfs/dbraw/zinc/43/65/15/348436515.db2.gz MODZRGBJDJZGLA-CYBMUJFWSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179620 348426614 /nfs/dbraw/zinc/42/66/14/348426614.db2.gz GIEWCXPAIDEEOP-GXSJLCMTSA-N 1 0 270.279 3.243 20 5 CGBDRO COc1cc(C[N@H+](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000611515353 348458089 /nfs/dbraw/zinc/45/80/89/348458089.db2.gz OOTOAHIBEIREDX-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000611515993 348458333 /nfs/dbraw/zinc/45/83/33/348458333.db2.gz YMIRYBWVSFDBIQ-KBPBESRZSA-N 1 0 292.379 3.059 20 5 CGBDRO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])s2)CCCC1 ZINC000612666838 348538264 /nfs/dbraw/zinc/53/82/64/348538264.db2.gz YFOITHMBFYMBRZ-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO CC[C@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000616487683 348825099 /nfs/dbraw/zinc/82/50/99/348825099.db2.gz AKFFCMCLAPAUEB-INIZCTEOSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000359148105 233268502 /nfs/dbraw/zinc/26/85/02/233268502.db2.gz TVCKHSWXDWHGCN-SSDOTTSWSA-N 1 0 280.221 3.022 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000271474771 191159403 /nfs/dbraw/zinc/15/94/03/191159403.db2.gz ZXRLALVXFXFHBS-UPJWGTAASA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000132457872 187628705 /nfs/dbraw/zinc/62/87/05/187628705.db2.gz PJABANPTTCBYHS-AWEZNQCLSA-N 1 0 292.379 3.339 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000271548805 191205141 /nfs/dbraw/zinc/20/51/41/191205141.db2.gz ZRCGSWXZUFLPFP-GFCCVEGCSA-N 1 0 298.342 3.476 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152471595 188021465 /nfs/dbraw/zinc/02/14/65/188021465.db2.gz DIYRAZWFYQWGCR-ZIAGYGMSSA-N 1 0 294.395 3.353 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(c3ccccn3)CCC2)c1 ZINC000368608677 234324171 /nfs/dbraw/zinc/32/41/71/234324171.db2.gz QWOACWYOOZWOIW-UHFFFAOYSA-N 1 0 297.358 3.201 20 5 CGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154682059 188156709 /nfs/dbraw/zinc/15/67/09/188156709.db2.gz GBRRGFBUVKBHSN-UONOGXRCSA-N 1 0 294.395 3.290 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1NC1CC[NH+](C2CC2)CC1 ZINC000292448780 198292956 /nfs/dbraw/zinc/29/29/56/198292956.db2.gz ILRKNXIYKXEVBK-UHFFFAOYSA-N 1 0 295.770 3.287 20 5 CGBDRO CCN(CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000155854502 188231862 /nfs/dbraw/zinc/23/18/62/188231862.db2.gz OVJLKXGFKWATMR-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726176 191293401 /nfs/dbraw/zinc/29/34/01/191293401.db2.gz YTIHPTXLKGINAG-ZFWWWQNUSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC1(C)C ZINC000414226374 235368984 /nfs/dbraw/zinc/36/89/84/235368984.db2.gz VGXKOVICLGTDQT-RISCZKNCSA-N 1 0 262.353 3.304 20 5 CGBDRO CC[C@H](NC[C@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127591791 138389527 /nfs/dbraw/zinc/38/95/27/138389527.db2.gz XUBBXWORLHUSKL-BBRMVZONSA-N 1 0 293.411 3.366 20 5 CGBDRO C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000426368943 236290700 /nfs/dbraw/zinc/29/07/00/236290700.db2.gz CKJCXPIZGTUHMZ-AGLBCWCQSA-N 1 0 292.404 3.435 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341968292 216171057 /nfs/dbraw/zinc/17/10/57/216171057.db2.gz ARZPQRFBFCIZCK-XJKSGUPXSA-N 1 0 290.363 3.158 20 5 CGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178654340 189134463 /nfs/dbraw/zinc/13/44/63/189134463.db2.gz DQAFYPVSUOYBSP-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCSC(C)C ZINC000342072150 216208766 /nfs/dbraw/zinc/20/87/66/216208766.db2.gz MKUKGYBPPWWDJK-UHFFFAOYSA-N 1 0 268.382 3.134 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)CCCO ZINC000537937564 288553219 /nfs/dbraw/zinc/55/32/19/288553219.db2.gz RBUDFKDILBSHJC-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO CC(C)[N@H+](Cc1cccn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000179320654 189185414 /nfs/dbraw/zinc/18/54/14/189185414.db2.gz ZDGLSMIGUXCGNJ-UHFFFAOYSA-N 1 0 287.363 3.344 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1(F)CCC1 ZINC000342213475 216263491 /nfs/dbraw/zinc/26/34/91/216263491.db2.gz ODVCTYIETINTNC-UTCJRWHESA-N 1 0 278.327 3.480 20 5 CGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000342292007 216294388 /nfs/dbraw/zinc/29/43/88/216294388.db2.gz HFTPTSDJTIQJCK-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO Cc1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301432795 201006968 /nfs/dbraw/zinc/00/69/68/201006968.db2.gz HRROPJZTBBQYHV-ZDUSSCGKSA-N 1 0 289.379 3.332 20 5 CGBDRO Cc1ccc(NCC[N@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC000301430218 201005407 /nfs/dbraw/zinc/00/54/07/201005407.db2.gz GAJVHJDZWMCCFU-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301507563 201038270 /nfs/dbraw/zinc/03/82/70/201038270.db2.gz DFUQXJJPYJRFLF-MNOVXSKESA-N 1 0 281.331 3.019 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000183039534 189344215 /nfs/dbraw/zinc/34/42/15/189344215.db2.gz PZVHORCWJBFYMD-NXEZZACHSA-N 1 0 277.324 3.260 20 5 CGBDRO Cc1ncsc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449126952 239194813 /nfs/dbraw/zinc/19/48/13/239194813.db2.gz NYWCHNMQTYKYQK-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC1(C)C ZINC000449148010 239203759 /nfs/dbraw/zinc/20/37/59/239203759.db2.gz SDVMVPLTVGOFAK-YPMHNXCESA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC1(C)C ZINC000449315067 239308109 /nfs/dbraw/zinc/30/81/09/239308109.db2.gz SYSHMEFTPWQZPX-MFKMUULPSA-N 1 0 280.393 3.009 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000191929965 189608470 /nfs/dbraw/zinc/60/84/70/189608470.db2.gz SRLCENLRZZSADZ-WBVHZDCISA-N 1 0 298.342 3.215 20 5 CGBDRO C[C@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000178362424 299351176 /nfs/dbraw/zinc/35/11/76/299351176.db2.gz QZKMARPVKNNHIS-NHYWBVRUSA-N 1 0 274.364 3.304 20 5 CGBDRO C[NH+](C)CCc1ccccc1NCc1cccc([N+](=O)[O-])c1 ZINC000275590419 193081550 /nfs/dbraw/zinc/08/15/50/193081550.db2.gz JKSYESMWSOKZRH-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000459748098 242208221 /nfs/dbraw/zinc/20/82/21/242208221.db2.gz GJMBEUKWIDBHDP-HZSPNIEDSA-N 1 0 260.337 3.181 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000483142191 243261946 /nfs/dbraw/zinc/26/19/46/243261946.db2.gz URETXJFGZAVLRZ-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092601 368800643 /nfs/dbraw/zinc/80/06/43/368800643.db2.gz PARFKGMRGPWJRV-LSDHHAIUSA-N 1 0 278.352 3.205 20 5 CGBDRO CCC[C@H]([NH2+]CCCOCC)c1cccc([N+](=O)[O-])c1 ZINC000020092323 368800792 /nfs/dbraw/zinc/80/07/92/368800792.db2.gz OOIUCADPSNYOLU-HNNXBMFYSA-N 1 0 280.368 3.452 20 5 CGBDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020097015 368802246 /nfs/dbraw/zinc/80/22/46/368802246.db2.gz XXVBKUVZTKHFFC-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020007119 368793808 /nfs/dbraw/zinc/79/38/08/368793808.db2.gz YHTWLQINBQXTIW-NSHDSACASA-N 1 0 283.759 3.144 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC(C)CC1 ZINC000036722105 369025770 /nfs/dbraw/zinc/02/57/70/369025770.db2.gz YVAWPKBSJXVJRC-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2Cc3ccccc32)cs1 ZINC000037566250 369089375 /nfs/dbraw/zinc/08/93/75/369089375.db2.gz QFNWMYNCTDLMRX-LBPRGKRZSA-N 1 0 274.345 3.086 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037010535 369049908 /nfs/dbraw/zinc/04/99/08/369049908.db2.gz BIZBZUSJRRGLQZ-HNNXBMFYSA-N 1 0 271.320 3.231 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493237815 244123982 /nfs/dbraw/zinc/12/39/82/244123982.db2.gz NQWPGWXIRFSHOX-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051686157 369452054 /nfs/dbraw/zinc/45/20/54/369452054.db2.gz ZSZFORORODYOGW-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000449064133 296148220 /nfs/dbraw/zinc/14/82/20/296148220.db2.gz OOMASLXUXPGIQH-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CCCC2)o1 ZINC000102420439 370303792 /nfs/dbraw/zinc/30/37/92/370303792.db2.gz UJCDJZDXBMYDRF-UHFFFAOYSA-N 1 0 272.304 3.451 20 5 CGBDRO COc1ccc(-c2ccc(C[NH2+]C3CC3)o2)c([N+](=O)[O-])c1 ZINC000102419045 370304252 /nfs/dbraw/zinc/30/42/52/370304252.db2.gz ANBSQNZGGKLITG-UHFFFAOYSA-N 1 0 288.303 3.115 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000131307662 371096733 /nfs/dbraw/zinc/09/67/33/371096733.db2.gz STMYCEQETUXBIQ-GJZGRUSLSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCc2cccnc2)cccc1[N+](=O)[O-] ZINC000133500050 371256673 /nfs/dbraw/zinc/25/66/73/371256673.db2.gz PUNCIFWEHRTBAA-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@@H]([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000135463957 371429519 /nfs/dbraw/zinc/42/95/19/371429519.db2.gz SMFQIBJENRXFQS-LLVKDONJSA-N 1 0 280.393 3.389 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000149727271 371529362 /nfs/dbraw/zinc/52/93/62/371529362.db2.gz YIZAWWREBDLPMZ-GWCFXTLKSA-N 1 0 266.366 3.141 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000151038082 371560111 /nfs/dbraw/zinc/56/01/11/371560111.db2.gz LJPXNMSQQKQAGN-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[C@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000151707567 371627581 /nfs/dbraw/zinc/62/75/81/371627581.db2.gz NHNRPLDJPAMHEM-UKRRQHHQSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000152941342 371737268 /nfs/dbraw/zinc/73/72/68/371737268.db2.gz ZRCMNNJFOIJKSS-INIZCTEOSA-N 1 0 292.379 3.377 20 5 CGBDRO COc1cccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000153096676 371750220 /nfs/dbraw/zinc/75/02/20/371750220.db2.gz IQWWONRXDYQXIF-UHFFFAOYSA-N 1 0 298.342 3.162 20 5 CGBDRO C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000153767646 371786502 /nfs/dbraw/zinc/78/65/02/371786502.db2.gz SVOLYUXCKUQDBV-UHFFFAOYSA-N 1 0 272.304 3.449 20 5 CGBDRO CS[C@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159135123 372108308 /nfs/dbraw/zinc/10/83/08/372108308.db2.gz VPINAGVSLPUACT-MRVPVSSYSA-N 1 0 274.773 3.089 20 5 CGBDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000291101828 372115881 /nfs/dbraw/zinc/11/58/81/372115881.db2.gz DSPNWDLPUYZGBV-BLLLJJGKSA-N 1 0 292.379 3.369 20 5 CGBDRO CCOC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159336099 372132005 /nfs/dbraw/zinc/13/20/05/372132005.db2.gz WUJHNIZEGGECEL-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CC(C)[N@@H+]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000344276857 217130700 /nfs/dbraw/zinc/13/07/00/217130700.db2.gz MSZKKNASYZQJRB-AWEZNQCLSA-N 1 0 291.395 3.072 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163287134 372460058 /nfs/dbraw/zinc/46/00/58/372460058.db2.gz UEHKLRQONREITL-SECBINFHSA-N 1 0 268.744 3.479 20 5 CGBDRO CCOCCCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000165123762 372544276 /nfs/dbraw/zinc/54/42/76/372544276.db2.gz PQIKIZSEATZAQJ-HNNXBMFYSA-N 1 0 280.368 3.452 20 5 CGBDRO CC1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000434672577 372699641 /nfs/dbraw/zinc/69/96/41/372699641.db2.gz NMKFFFWMGVUBAU-UHFFFAOYSA-N 1 0 294.420 3.355 20 5 CGBDRO CC1(C)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000434669236 372700108 /nfs/dbraw/zinc/70/01/08/372700108.db2.gz HFWKSBFWBKAXRI-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO Cc1csc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000344649028 217263065 /nfs/dbraw/zinc/26/30/65/217263065.db2.gz YNKFFUZRQIMGCB-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CC[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295839154 372928807 /nfs/dbraw/zinc/92/88/07/372928807.db2.gz FMVFRUUUSYSMKZ-RISCZKNCSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000353570422 220164450 /nfs/dbraw/zinc/16/44/50/220164450.db2.gz MISWNZXPAQXAGX-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449425928 373699423 /nfs/dbraw/zinc/69/94/23/373699423.db2.gz NOLFGNCPTLZWHT-PKXJPQMGSA-N 1 0 258.321 3.092 20 5 CGBDRO C[C@@]12C[N@H+](Cc3csc([N+](=O)[O-])c3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000449453004 373737114 /nfs/dbraw/zinc/73/71/14/373737114.db2.gz VTWFVBLBPIXTLZ-COMQUAJESA-N 1 0 290.388 3.300 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000449503109 373800705 /nfs/dbraw/zinc/80/07/05/373800705.db2.gz STRNKXSNBSQPJH-HNNXBMFYSA-N 1 0 297.358 3.369 20 5 CGBDRO Cc1cccc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302510963 373885924 /nfs/dbraw/zinc/88/59/24/373885924.db2.gz SOMVKXGZTZDDGS-CHWSQXEVSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1cc(N(Cc2ccccc2[N+](=O)[O-])C2CC2)cc[nH+]1 ZINC000302426739 373865637 /nfs/dbraw/zinc/86/56/37/373865637.db2.gz KGRZDTHLAAMEHI-UHFFFAOYSA-N 1 0 283.331 3.467 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308363335 374164031 /nfs/dbraw/zinc/16/40/31/374164031.db2.gz IPBWFHCJTIUUKR-NILFDRSVSA-N 1 0 290.363 3.203 20 5 CGBDRO CCOCC[N@H+](CC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182770320 374324372 /nfs/dbraw/zinc/32/43/72/374324372.db2.gz DBEQFKBDNCGIJR-CYBMUJFWSA-N 1 0 280.368 3.323 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000331107653 374504975 /nfs/dbraw/zinc/50/49/75/374504975.db2.gz HILBHFIBKSUPGI-UHFFFAOYSA-N 1 0 276.336 3.146 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2CC)ccc1[N+](=O)[O-] ZINC000331185658 374512190 /nfs/dbraw/zinc/51/21/90/374512190.db2.gz SXTCXPHUYXDXSG-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO COCC1=CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185887163 374760809 /nfs/dbraw/zinc/76/08/09/374760809.db2.gz SVRARMYXUVKXIZ-ZDUSSCGKSA-N 1 0 290.363 3.243 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000187280714 374995667 /nfs/dbraw/zinc/99/56/67/374995667.db2.gz YQCTVBXCKFWVOC-QKPAOTATSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189339151 375370097 /nfs/dbraw/zinc/37/00/97/375370097.db2.gz CXVQYTUTPOMRHS-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191208760 375596688 /nfs/dbraw/zinc/59/66/88/375596688.db2.gz QFAYUHDOGHWHEG-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000191307589 375609759 /nfs/dbraw/zinc/60/97/59/375609759.db2.gz VYUOTGPBLFCPDE-CQSZACIVSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000193014294 375814698 /nfs/dbraw/zinc/81/46/98/375814698.db2.gz XEJZGPCJJRLMGN-RYUDHWBXSA-N 1 0 288.351 3.049 20 5 CGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000194941092 376062715 /nfs/dbraw/zinc/06/27/15/376062715.db2.gz CMNHDPRQPADJIM-INIZCTEOSA-N 1 0 292.379 3.376 20 5 CGBDRO Cc1cccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000218844995 376189341 /nfs/dbraw/zinc/18/93/41/376189341.db2.gz DNJUTUCKRGDBEX-ZDUSSCGKSA-N 1 0 277.368 3.045 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CCC(C)(C)O1 ZINC000338360385 376348909 /nfs/dbraw/zinc/34/89/09/376348909.db2.gz NOTCRHBUJBLTOT-OAHLLOKOSA-N 1 0 292.379 3.027 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539293731 376302218 /nfs/dbraw/zinc/30/22/18/376302218.db2.gz WUZAKTOHYFKRAC-XNRPHZJLSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541073100 376419176 /nfs/dbraw/zinc/41/91/76/376419176.db2.gz YQNIYONJFSPZQJ-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO COc1ccc(C[NH2+]C2(c3ccccc3)CC2)cc1[N+](=O)[O-] ZINC000264000491 190088585 /nfs/dbraw/zinc/08/85/85/190088585.db2.gz NOQCFPPMBCFEBR-UHFFFAOYSA-N 1 0 298.342 3.382 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000230418903 376518959 /nfs/dbraw/zinc/51/89/59/376518959.db2.gz HIJHSZGVZYKTEC-NWDGAFQWSA-N 1 0 278.352 3.129 20 5 CGBDRO CC[NH+](CC)CCCNc1cccc(C)c1[N+](=O)[O-] ZINC000233463170 376597523 /nfs/dbraw/zinc/59/75/23/376597523.db2.gz IWLAFVXLTOOUJK-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccc2cc[nH]c21 ZINC000237932776 376765983 /nfs/dbraw/zinc/76/59/83/376765983.db2.gz HDIHJRPNWLIQME-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](CC3CC3)C2)cs1 ZINC000339672267 376797948 /nfs/dbraw/zinc/79/79/48/376797948.db2.gz CCJODHQPKMJTAU-NSHDSACASA-N 1 0 266.366 3.278 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339680895 376805464 /nfs/dbraw/zinc/80/54/64/376805464.db2.gz YSCJTVRJSHPPRK-CYBMUJFWSA-N 1 0 290.363 3.225 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247165736 377169576 /nfs/dbraw/zinc/16/95/76/377169576.db2.gz ZVAHHBFQLDTEIP-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000085971098 249015506 /nfs/dbraw/zinc/01/55/06/249015506.db2.gz FCIJAQPSVAGNIX-XPKDYRNWSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000090794943 249029808 /nfs/dbraw/zinc/02/98/08/249029808.db2.gz ZGLODDDZDZXXCE-UWVGGRQHSA-N 1 0 283.759 3.143 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313087851 249086511 /nfs/dbraw/zinc/08/65/11/249086511.db2.gz MEURUVMXNXLGGO-LNSITVRQSA-N 1 0 280.368 3.103 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000517891667 249272576 /nfs/dbraw/zinc/27/25/76/249272576.db2.gz GSJCQGSMUPTOFL-CVEARBPZSA-N 1 0 290.363 3.142 20 5 CGBDRO CC(C)CO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000252664212 377647147 /nfs/dbraw/zinc/64/71/47/377647147.db2.gz VZKBJWMQWAGXTC-CZUORRHYSA-N 1 0 292.379 3.403 20 5 CGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000255144358 377737439 /nfs/dbraw/zinc/73/74/39/377737439.db2.gz JGIYKVRDQFAIPB-GTBONMDNSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268828165 378124561 /nfs/dbraw/zinc/12/45/61/378124561.db2.gz VEVFIQIIICLYQO-KCPJHIHWSA-N 1 0 274.364 3.162 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000268905259 378148570 /nfs/dbraw/zinc/14/85/70/378148570.db2.gz GOLDNONCHPXYST-WFASDCNBSA-N 1 0 280.368 3.225 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000578747783 378096646 /nfs/dbraw/zinc/09/66/46/378096646.db2.gz PWWNIGPNWNKONQ-NTZNESFSSA-N 1 0 278.352 3.443 20 5 CGBDRO Cc1cnc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000579469132 378162877 /nfs/dbraw/zinc/16/28/77/378162877.db2.gz UPFLSVLPDKNMGG-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000270707579 378391942 /nfs/dbraw/zinc/39/19/42/378391942.db2.gz ZNBMRRZEJXOICZ-VXGBXAGGSA-N 1 0 298.408 3.340 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@@H](C)O)CC1 ZINC000272198467 378583529 /nfs/dbraw/zinc/58/35/29/378583529.db2.gz ADQJZSXTYJKSDG-CHWSQXEVSA-N 1 0 292.379 3.057 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000346495193 217923208 /nfs/dbraw/zinc/92/32/08/217923208.db2.gz KYJHYXIYNDPNKV-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000346798753 218017046 /nfs/dbraw/zinc/01/70/46/218017046.db2.gz NKYJPOCDPKZEIY-GZBFAFLISA-N 1 0 291.395 3.037 20 5 CGBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278692098 194106704 /nfs/dbraw/zinc/10/67/04/194106704.db2.gz MWFVOUOKFFRBTP-WDEREUQCSA-N 1 0 288.351 3.139 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000266534608 190264571 /nfs/dbraw/zinc/26/45/71/190264571.db2.gz GZPMPZJJFOIFET-ZDUSSCGKSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCCO1 ZINC000266680346 190274804 /nfs/dbraw/zinc/27/48/04/190274804.db2.gz AFTUPMIWWCEGOM-CHWSQXEVSA-N 1 0 278.352 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c(F)c1 ZINC000352692073 379910196 /nfs/dbraw/zinc/91/01/96/379910196.db2.gz OECTXXXHEBKIRQ-OAHLLOKOSA-N 1 0 278.327 3.498 20 5 CGBDRO COc1cc(C[NH2+]C2(c3ccccc3)CC2)ccc1[N+](=O)[O-] ZINC000352785044 379958296 /nfs/dbraw/zinc/95/82/96/379958296.db2.gz SYSZVMGZYHPXTD-UHFFFAOYSA-N 1 0 298.342 3.382 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000402092245 379961483 /nfs/dbraw/zinc/96/14/83/379961483.db2.gz JMQMBIRABQDLAN-CHWSQXEVSA-N 1 0 278.352 3.062 20 5 CGBDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000352899073 380025362 /nfs/dbraw/zinc/02/53/62/380025362.db2.gz GWVNCYALOWRFOX-CZUORRHYSA-N 1 0 292.379 3.136 20 5 CGBDRO CC[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000353154908 380143127 /nfs/dbraw/zinc/14/31/27/380143127.db2.gz PZPMBTXNZPOISI-LDCOFTPGSA-N 1 0 278.352 3.013 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000414562804 380320870 /nfs/dbraw/zinc/32/08/70/380320870.db2.gz VMTQPGCPTOFPAH-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)O1 ZINC000414519865 380293922 /nfs/dbraw/zinc/29/39/22/380293922.db2.gz UVPWYCJRKMXTCI-FOGDFJRCSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1ccc(CCC[NH2+]CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000354590069 380497327 /nfs/dbraw/zinc/49/73/27/380497327.db2.gz ZIIMGCASBIMNJL-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311679 380589876 /nfs/dbraw/zinc/58/98/76/380589876.db2.gz MHZUVNZZQRYWBX-GDBMZVCRSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[C@@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295796 380795971 /nfs/dbraw/zinc/79/59/71/380795971.db2.gz XAXIBOJZLCFHJX-ZBFHGGJFSA-N 1 0 292.379 3.199 20 5 CGBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000356917891 380936593 /nfs/dbraw/zinc/93/65/93/380936593.db2.gz MEUPBZURDRHQHO-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC1CC[NH+](C2CC2)CC1 ZINC000357686316 381249945 /nfs/dbraw/zinc/24/99/45/381249945.db2.gz PCNPHMZWEJNPJO-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCC1CC1)C1CC1 ZINC000360150704 381459350 /nfs/dbraw/zinc/45/93/50/381459350.db2.gz SBWWXGBJNGTFDP-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO CC(C)N(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361416950 381738944 /nfs/dbraw/zinc/73/89/44/381738944.db2.gz UUARZGXGCWEFGK-LLVKDONJSA-N 1 0 298.770 3.248 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000361629515 381846938 /nfs/dbraw/zinc/84/69/38/381846938.db2.gz KTPGENLZZZFUPP-ZFWWWQNUSA-N 1 0 292.379 3.232 20 5 CGBDRO COC1CCC(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000361924109 533041671 /nfs/dbraw/zinc/04/16/71/533041671.db2.gz GCZOXPVUADAFQQ-FUJMWEONSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000075768526 285112656 /nfs/dbraw/zinc/11/26/56/285112656.db2.gz NIBZRIXZXZSROZ-HIFRSBDPSA-N 1 0 260.337 3.359 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CC2CCC2)cccc1[N+](=O)[O-] ZINC000281151705 195125691 /nfs/dbraw/zinc/12/56/91/195125691.db2.gz ONMXXYDZNRDLMJ-JSGCOSHPSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@H]([NH2+][C@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281255674 195170334 /nfs/dbraw/zinc/17/03/34/195170334.db2.gz WHDONONIQTVSHL-HOCLYGCPSA-N 1 0 292.379 3.187 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)cc1[N+](=O)[O-] ZINC000282355863 195585426 /nfs/dbraw/zinc/58/54/26/195585426.db2.gz VYXDWIDZEDENSX-WQVCFCJDSA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]1C ZINC000414132753 533449659 /nfs/dbraw/zinc/44/96/59/533449659.db2.gz MTHOSGBBSBSLHU-KBVBSXBZSA-N 1 0 268.744 3.382 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000356768498 533506382 /nfs/dbraw/zinc/50/63/82/533506382.db2.gz HNWGFCFCBLPDTR-SCRDCRAPSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772503 392320106 /nfs/dbraw/zinc/32/01/06/392320106.db2.gz NFQOKFXLVJVZPG-XBFCOCLRSA-N 1 0 291.395 3.037 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361810983 392330033 /nfs/dbraw/zinc/33/00/33/392330033.db2.gz IHGOINNHDPLVFY-XNRPHZJLSA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC(F)(F)C2)c(Cl)c1 ZINC000291790871 392481821 /nfs/dbraw/zinc/48/18/21/392481821.db2.gz WECINIGZWSDIGD-UHFFFAOYSA-N 1 0 290.697 3.383 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)O ZINC000295071823 392542704 /nfs/dbraw/zinc/54/27/04/392542704.db2.gz SDJOYOUHVWFHNK-BXUZGUMPSA-N 1 0 280.368 3.103 20 5 CGBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000158167767 392558710 /nfs/dbraw/zinc/55/87/10/392558710.db2.gz LQMGGTAFCBBXJM-AWEZNQCLSA-N 1 0 294.399 3.082 20 5 CGBDRO COC[C@@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000372103768 392583720 /nfs/dbraw/zinc/58/37/20/392583720.db2.gz UMGRQCVCXKTDNU-CQSZACIVSA-N 1 0 292.379 3.152 20 5 CGBDRO Cc1cc(N2CCCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302177030 392611881 /nfs/dbraw/zinc/61/18/81/392611881.db2.gz NAXGDESKAGDYBL-UHFFFAOYSA-N 1 0 271.320 3.442 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650437 392685128 /nfs/dbraw/zinc/68/51/28/392685128.db2.gz XSVHDLGAUJFFOJ-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO CC(C)C[C@H](C)C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332707759 392699062 /nfs/dbraw/zinc/69/90/62/392699062.db2.gz XOCJCCHASLAAMI-LBPRGKRZSA-N 1 0 277.368 3.030 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000180930957 392715826 /nfs/dbraw/zinc/71/58/26/392715826.db2.gz UPNCOQUPPXHJJQ-QWRGUYRKSA-N 1 0 288.351 3.347 20 5 CGBDRO CC(C)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511071404 392826778 /nfs/dbraw/zinc/82/67/78/392826778.db2.gz DSWHIGUEQXFUKP-UHFFFAOYSA-N 1 0 250.342 3.115 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000519706741 392885465 /nfs/dbraw/zinc/88/54/65/392885465.db2.gz PZXOQPNCSFBVIA-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000519666068 392879121 /nfs/dbraw/zinc/87/91/21/392879121.db2.gz AOSZVSNEAPGRNF-GFCCVEGCSA-N 1 0 280.368 3.375 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H]1c1ccccc1 ZINC000471186765 393276109 /nfs/dbraw/zinc/27/61/09/393276109.db2.gz MHEMLSAOEWODRT-HNNXBMFYSA-N 1 0 298.342 3.421 20 5 CGBDRO Nc1cccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000420359441 393473433 /nfs/dbraw/zinc/47/34/33/393473433.db2.gz KOCUMCGNSKOICU-UHFFFAOYSA-N 1 0 297.358 3.342 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577283 393485676 /nfs/dbraw/zinc/48/56/76/393485676.db2.gz FFAKXPSDSPQHCP-GXSJLCMTSA-N 1 0 254.355 3.277 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578708 393486798 /nfs/dbraw/zinc/48/67/98/393486798.db2.gz JMUSTVUPNCAFHJ-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1C[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356810 393496396 /nfs/dbraw/zinc/49/63/96/393496396.db2.gz OAALVAWDCQVURM-YPMHNXCESA-N 1 0 260.337 3.215 20 5 CGBDRO C[C@@H]([NH2+]CCOCC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000360510551 393568977 /nfs/dbraw/zinc/56/89/77/393568977.db2.gz WQCMVDJHZHKZDF-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000432797294 393640795 /nfs/dbraw/zinc/64/07/95/393640795.db2.gz DJHWUMMJJYBFCI-JTQLQIEISA-N 1 0 266.366 3.421 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000361052494 393657143 /nfs/dbraw/zinc/65/71/43/393657143.db2.gz NJMZRHQSRNQAHK-ZDUSSCGKSA-N 1 0 292.379 3.465 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCOC(C)(C)C1 ZINC000361052493 393657837 /nfs/dbraw/zinc/65/78/37/393657837.db2.gz NJMZRHQSRNQAHK-CYBMUJFWSA-N 1 0 292.379 3.465 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000441682094 393737523 /nfs/dbraw/zinc/73/75/23/393737523.db2.gz RKBSTJFNRDTMRN-RDBSUJKOSA-N 1 0 290.363 3.014 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000425369085 393693662 /nfs/dbraw/zinc/69/36/62/393693662.db2.gz LCKXEUSFKVAIFF-ZWKOPEQDSA-N 1 0 266.366 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000449538109 393888741 /nfs/dbraw/zinc/88/87/41/393888741.db2.gz KEKHNAQRYXWPJI-GDBMZVCRSA-N 1 0 272.348 3.215 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453623598 394260728 /nfs/dbraw/zinc/26/07/28/394260728.db2.gz BTTLESBATKOBNK-ARRLWOLASA-N 1 0 290.363 3.155 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCSC1)C1CC1 ZINC000271921771 296514225 /nfs/dbraw/zinc/51/42/25/296514225.db2.gz DYMYNNQAVXLWRR-ZIAGYGMSSA-N 1 0 292.404 3.011 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266782132 285648974 /nfs/dbraw/zinc/64/89/74/285648974.db2.gz NIHWEZZDTUNPLG-UXIGCNINSA-N 1 0 278.352 3.203 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178659081 292076489 /nfs/dbraw/zinc/07/64/89/292076489.db2.gz IAOPQASKVRTKRE-NWDGAFQWSA-N 1 0 280.368 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000512203350 292297005 /nfs/dbraw/zinc/29/70/05/292297005.db2.gz OCSXCOHQOPTFJA-COPLHBTASA-N 1 0 280.393 3.305 20 5 CGBDRO CC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054470152 286942980 /nfs/dbraw/zinc/94/29/80/286942980.db2.gz CHLULELHAJZPDC-SECBINFHSA-N 1 0 256.733 3.384 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000070357874 165058014 /nfs/dbraw/zinc/05/80/14/165058014.db2.gz QFUIHNPVNXLRJY-BJJXKVORSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000076149974 165111122 /nfs/dbraw/zinc/11/11/22/165111122.db2.gz FXIBYLQJMWYRRZ-NXEZZACHSA-N 1 0 254.355 3.277 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090587475 287102970 /nfs/dbraw/zinc/10/29/70/287102970.db2.gz WKKBMIPUSDBZCO-GXTWGEPZSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359641 165232632 /nfs/dbraw/zinc/23/26/32/165232632.db2.gz RSAXMFDXXADXAL-GXFFZTMASA-N 1 0 293.323 3.171 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094797548 165392422 /nfs/dbraw/zinc/39/24/22/165392422.db2.gz AFHIDBJDAVAWCF-IUODEOHRSA-N 1 0 278.352 3.123 20 5 CGBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174872513 165581491 /nfs/dbraw/zinc/58/14/91/165581491.db2.gz UNRLJHFDXQMSOB-AWEZNQCLSA-N 1 0 294.399 3.082 20 5 CGBDRO CC[C@H](C)N(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119417740 287169295 /nfs/dbraw/zinc/16/92/95/287169295.db2.gz UBSSGKYRISAEJJ-VIFPVBQESA-N 1 0 256.733 3.479 20 5 CGBDRO CC(C)[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000123292474 287218090 /nfs/dbraw/zinc/21/80/90/287218090.db2.gz JTZKARKPPBGWIU-OAHLLOKOSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020137479 171024423 /nfs/dbraw/zinc/02/44/23/171024423.db2.gz RGDQYTFUUFHZSS-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO CC(C)[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000034993932 171921816 /nfs/dbraw/zinc/92/18/16/171921816.db2.gz MURVVYYBJWQADB-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285070785 196190772 /nfs/dbraw/zinc/19/07/72/196190772.db2.gz JGKLYLGOOVMUQF-ZJUUUORDSA-N 1 0 299.321 3.263 20 5 CGBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035254145 172083884 /nfs/dbraw/zinc/08/38/84/172083884.db2.gz JUHGBEYDYFZTDV-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000285325872 196251748 /nfs/dbraw/zinc/25/17/48/196251748.db2.gz UAHNXINRZSRZEM-JTQLQIEISA-N 1 0 295.408 3.113 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677616 172348403 /nfs/dbraw/zinc/34/84/03/172348403.db2.gz HYTLXXLSKUHVAL-WFASDCNBSA-N 1 0 262.353 3.306 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCCCC2)cc1 ZINC000035677750 172348420 /nfs/dbraw/zinc/34/84/20/172348420.db2.gz LFIQOVOIPJKJQJ-UHFFFAOYSA-N 1 0 262.353 3.307 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000035694734 172364048 /nfs/dbraw/zinc/36/40/48/172364048.db2.gz QBIOHGSUPUINIY-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040506675 174302178 /nfs/dbraw/zinc/30/21/78/174302178.db2.gz KOAOERZQMPNEMH-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040718143 174384806 /nfs/dbraw/zinc/38/48/06/174384806.db2.gz HECCVSBDPULBKR-VIFPVBQESA-N 1 0 254.717 3.090 20 5 CGBDRO Cc1cccc(OCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000044290058 175159679 /nfs/dbraw/zinc/15/96/79/175159679.db2.gz BGGYDFHTKGNVDQ-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000044537706 175199749 /nfs/dbraw/zinc/19/97/49/175199749.db2.gz ATAMKNKANYOULY-JTQLQIEISA-N 1 0 283.759 3.002 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000318455649 261202972 /nfs/dbraw/zinc/20/29/72/261202972.db2.gz HVIJHJFWMRSQCL-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CCC[C@@H]([NH2+]CC1(CC)COC1)c1cccc([N+](=O)[O-])c1 ZINC000393963603 262380916 /nfs/dbraw/zinc/38/09/16/262380916.db2.gz JJKFZISCRVWYQO-OAHLLOKOSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103466595 270046141 /nfs/dbraw/zinc/04/61/41/270046141.db2.gz KEWWHTZJLUWTHI-JTQLQIEISA-N 1 0 278.327 3.497 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000187652011 270069057 /nfs/dbraw/zinc/06/90/57/270069057.db2.gz CNCFNTXYSLZXJK-BXUZGUMPSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000222798175 270086152 /nfs/dbraw/zinc/08/61/52/270086152.db2.gz SYOZWGMITIFIMD-LNSITVRQSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000532504153 270216409 /nfs/dbraw/zinc/21/64/09/270216409.db2.gz ZUTXECYLQQSNLU-GXTWGEPZSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H](CCCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279075067 274475850 /nfs/dbraw/zinc/47/58/50/274475850.db2.gz MBVYWPXYQIVANF-ABAIWWIYSA-N 1 0 292.379 3.068 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829622 275033505 /nfs/dbraw/zinc/03/35/05/275033505.db2.gz BRSYKBPJMGZITI-NWDGAFQWSA-N 1 0 295.770 3.287 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000348271345 275827987 /nfs/dbraw/zinc/82/79/87/275827987.db2.gz IKNHKISLNDBHJM-UPJWGTAASA-N 1 0 292.383 3.053 20 5 CGBDRO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000106866797 276002791 /nfs/dbraw/zinc/00/27/91/276002791.db2.gz MMQIJGBBUARGBJ-OAHLLOKOSA-N 1 0 292.379 3.376 20 5 CGBDRO CC[C@@H](CCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310760 276422311 /nfs/dbraw/zinc/42/23/11/276422311.db2.gz KTYBDNNQMJXLRW-BBRMVZONSA-N 1 0 292.379 3.113 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123188873 277737312 /nfs/dbraw/zinc/73/73/12/277737312.db2.gz OQFWCZYPLVMOMK-UGFHNGPFSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000159966110 278373403 /nfs/dbraw/zinc/37/34/03/278373403.db2.gz UQMCRBHATINLQT-DGCLKSJQSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191825069 288090934 /nfs/dbraw/zinc/09/09/34/288090934.db2.gz QHOPXOUCYGIIMD-CQDKDKBSSA-N 1 0 278.352 3.061 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@H]1C ZINC000487961166 288115961 /nfs/dbraw/zinc/11/59/61/288115961.db2.gz GOSCLJXUIPDJDU-HIFRSBDPSA-N 1 0 292.379 3.232 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000094659535 281015200 /nfs/dbraw/zinc/01/52/00/281015200.db2.gz PXVMTBCFNBKTLO-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000539083157 288603345 /nfs/dbraw/zinc/60/33/45/288603345.db2.gz XBVROTLPAPSISN-CHWSQXEVSA-N 1 0 294.395 3.351 20 5 CGBDRO CC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000565905491 322096559 /nfs/dbraw/zinc/09/65/59/322096559.db2.gz SAEZSMALIOGFBR-ZDUSSCGKSA-N 1 0 260.337 3.362 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567795328 322178127 /nfs/dbraw/zinc/17/81/27/322178127.db2.gz NLWUZTKKYWLGKD-ZENOOKHLSA-N 1 0 290.363 3.075 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000568436734 322208925 /nfs/dbraw/zinc/20/89/25/322208925.db2.gz AUNHVXVDSRHQFD-AKXMXHFNSA-N 1 0 278.327 3.478 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572974901 322363936 /nfs/dbraw/zinc/36/39/36/322363936.db2.gz CVICOSOPRSYSBX-DDTOSNHZSA-N 1 0 260.337 3.360 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC(C(F)(F)F)C1 ZINC000574551676 322446567 /nfs/dbraw/zinc/44/65/67/322446567.db2.gz OHBYWYLABCTUDV-UHFFFAOYSA-N 1 0 288.269 3.334 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000393874180 329091116 /nfs/dbraw/zinc/09/11/16/329091116.db2.gz CRDKZRBTEWQVCN-MFKMUULPSA-N 1 0 280.393 3.448 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(C2CC2)CC1 ZINC000576715424 335238983 /nfs/dbraw/zinc/23/89/83/335238983.db2.gz IZIAKRBVWFLPIS-AWEZNQCLSA-N 1 0 272.348 3.362 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670114 336058164 /nfs/dbraw/zinc/05/81/64/336058164.db2.gz YPSLIALVKOZYAK-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1ccc([N+](=O)[O-])cc1F)CCCC2 ZINC000385677828 336154083 /nfs/dbraw/zinc/15/40/83/336154083.db2.gz KXBQAJUCQIBGNB-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO Cc1cc(N)cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000423472545 533886474 /nfs/dbraw/zinc/88/64/74/533886474.db2.gz GABKUZVAEATMPE-GFCCVEGCSA-N 1 0 285.347 3.336 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1 ZINC000449063659 534254357 /nfs/dbraw/zinc/25/43/57/534254357.db2.gz NMFRUWYWBQTADS-ZDUSSCGKSA-N 1 0 270.332 3.316 20 5 CGBDRO C[C@@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000437517279 534285247 /nfs/dbraw/zinc/28/52/47/534285247.db2.gz QJXJRGDQCJVDRB-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249743 523809607 /nfs/dbraw/zinc/80/96/07/523809607.db2.gz HAJUOXPINIGOKJ-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC34CC4)o2)cc1 ZINC000424188251 534881087 /nfs/dbraw/zinc/88/10/87/534881087.db2.gz XUICYRMXRWLDLI-HNNXBMFYSA-N 1 0 284.315 3.497 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCCS2)cs1 ZINC000158016142 527328677 /nfs/dbraw/zinc/32/86/77/527328677.db2.gz LAVHJOXYPBWOEV-JTQLQIEISA-N 1 0 272.395 3.032 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)c1 ZINC000094371918 527386452 /nfs/dbraw/zinc/38/64/52/527386452.db2.gz IHTPJGUPGNBULD-CQSZACIVSA-N 1 0 290.363 3.176 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)CC ZINC000177669778 528611794 /nfs/dbraw/zinc/61/17/94/528611794.db2.gz WAXZCSWFUBIWFO-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO CCCCOCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192775862 528612218 /nfs/dbraw/zinc/61/22/18/528612218.db2.gz UBEOFIXVGONEBV-INIZCTEOSA-N 1 0 292.379 3.379 20 5 CGBDRO CC(C)[NH+](CCNc1sccc1[N+](=O)[O-])C(C)C ZINC000302005406 528907134 /nfs/dbraw/zinc/90/71/34/528907134.db2.gz UOXKHLHSTBSKJE-UHFFFAOYSA-N 1 0 271.386 3.187 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154584524 529010417 /nfs/dbraw/zinc/01/04/17/529010417.db2.gz PIEKYCKDVJAROB-JKSUJKDBSA-N 1 0 291.395 3.120 20 5 CGBDRO CCC[C@@H](N[C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262010 529018484 /nfs/dbraw/zinc/01/84/84/529018484.db2.gz LJUHZCXHGKPUSB-GDBMZVCRSA-N 1 0 293.411 3.399 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000188819010 535940356 /nfs/dbraw/zinc/94/03/56/535940356.db2.gz KQTSBQGIKOCLKR-SNPRPXQTSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478496332 536813951 /nfs/dbraw/zinc/81/39/51/536813951.db2.gz WXTWKDGXPHIAPV-BYCMXARLSA-N 1 0 292.379 3.052 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222381 572919556 /nfs/dbraw/zinc/91/95/56/572919556.db2.gz AUQFLBMDQFBFFP-MNOVXSKESA-N 1 0 297.786 3.451 20 5 CGBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000749391915 572996549 /nfs/dbraw/zinc/99/65/49/572996549.db2.gz IXCZUIYYHCKDRV-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311125347 619113811 /nfs/dbraw/zinc/11/38/11/619113811.db2.gz ARJAWQWUAKRBBX-KWQFWETISA-N 1 0 286.784 3.232 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774261 619262814 /nfs/dbraw/zinc/26/28/14/619262814.db2.gz GEHGWYLHZBKOLQ-JTQLQIEISA-N 1 0 254.305 3.354 20 5 CGBDRO CCC[C@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[NH2+]1 ZINC000895058507 619704069 /nfs/dbraw/zinc/70/40/69/619704069.db2.gz MBYMASGOHUYULI-JTQLQIEISA-N 1 0 299.321 3.111 20 5 CGBDRO CC(C)c1nccn1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000895988887 619922062 /nfs/dbraw/zinc/92/20/62/619922062.db2.gz WKOULEIVWGNUEV-UHFFFAOYSA-N 1 0 292.314 3.166 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461070 620339840 /nfs/dbraw/zinc/33/98/40/620339840.db2.gz YJIQBMIYPKVLIU-OLZOCXBDSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000897469852 620342140 /nfs/dbraw/zinc/34/21/40/620342140.db2.gz SGGUYRUIOOBVIB-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO CC1(C)CC[C@@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)OC1 ZINC000897478444 620345883 /nfs/dbraw/zinc/34/58/83/620345883.db2.gz UNYBVBIFGWDLOT-LBPRGKRZSA-N 1 0 298.408 3.341 20 5 CGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925313408 620398267 /nfs/dbraw/zinc/39/82/67/620398267.db2.gz MUHZEWFKWFZUMG-DZGCQCFKSA-N 1 0 280.368 3.014 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000897952928 620453812 /nfs/dbraw/zinc/45/38/12/620453812.db2.gz LNQCIIMSCKZARU-HZSPNIEDSA-N 1 0 260.337 3.181 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000927027857 620564192 /nfs/dbraw/zinc/56/41/92/620564192.db2.gz OISQHQFXQKRVMI-OCCSQVGLSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000901663818 620972282 /nfs/dbraw/zinc/97/22/82/620972282.db2.gz OWGMQXLPLPOASC-SOURHHEESA-N 1 0 290.363 3.203 20 5 CGBDRO CNc1ccccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000902461788 621336995 /nfs/dbraw/zinc/33/69/95/621336995.db2.gz RVPFXIBWWHFMCJ-GFCCVEGCSA-N 1 0 285.347 3.487 20 5 CGBDRO CCO[C@@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000902889738 621487175 /nfs/dbraw/zinc/48/71/75/621487175.db2.gz QBUBEUZHBZFPBG-GOEBONIOSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@H](C)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903055990 621545477 /nfs/dbraw/zinc/54/54/77/621545477.db2.gz OJJLIPDZBVHGJE-VHSXEESVSA-N 1 0 252.314 3.053 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)C(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903223929 621635412 /nfs/dbraw/zinc/63/54/12/621635412.db2.gz MVVOLGHTTUWFRI-MNOVXSKESA-N 1 0 296.367 3.068 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406235 621729608 /nfs/dbraw/zinc/72/96/08/621729608.db2.gz TWWCFJKTUGEUOB-HOTGVXAUSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C/C=C\Cl)cccc1[N+](=O)[O-] ZINC000903443215 621754202 /nfs/dbraw/zinc/75/42/02/621754202.db2.gz DGFXOPNGWTZJBL-ISGFRBBESA-N 1 0 254.717 3.306 20 5 CGBDRO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774534 623467271 /nfs/dbraw/zinc/46/72/71/623467271.db2.gz YPZLRQFFOHYDKR-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929773827 623626627 /nfs/dbraw/zinc/62/66/27/623626627.db2.gz IYWUNPDKQKTIHQ-QWRGUYRKSA-N 1 0 270.760 3.041 20 5 CGBDRO CCN(CCC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1F ZINC000788077965 625666167 /nfs/dbraw/zinc/66/61/67/625666167.db2.gz QYALNWZBOGQYIU-UHFFFAOYSA-N 1 0 295.358 3.046 20 5 CGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000154140900 624208070 /nfs/dbraw/zinc/20/80/70/624208070.db2.gz CGRYDWKCSYITJC-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@@H](NCc1cccc(Cl)n1)c1cccc([N+](=O)[O-])c1 ZINC000180416934 624750306 /nfs/dbraw/zinc/75/03/06/624750306.db2.gz WGRBCIQWMWCJGD-SNVBAGLBSA-N 1 0 291.738 3.494 20 5 CGBDRO CCC[C@H](O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922819740 626051698 /nfs/dbraw/zinc/05/16/98/626051698.db2.gz CSJHJIFBBCVUBF-ISBHARSQSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840823502 626761370 /nfs/dbraw/zinc/76/13/70/626761370.db2.gz ZVNCNAXOWAGUOH-WSXWTOPLSA-N 1 0 275.352 3.016 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000758453939 626844432 /nfs/dbraw/zinc/84/44/32/626844432.db2.gz RLFPUTXLVDKZCZ-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000765262542 627244224 /nfs/dbraw/zinc/24/42/24/627244224.db2.gz QXDAHZNQYZZSDP-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346543 627786352 /nfs/dbraw/zinc/78/63/52/627786352.db2.gz OMDAYYZEHAFASP-GXFFZTMASA-N 1 0 266.316 3.497 20 5 CGBDRO CCC[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774625198 628009455 /nfs/dbraw/zinc/00/94/55/628009455.db2.gz COBHYYZBBMRHOE-UHFFFAOYSA-N 1 0 296.758 3.287 20 5 CGBDRO CCC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587549 628221790 /nfs/dbraw/zinc/22/17/90/628221790.db2.gz WIOCZDQEGZYBSJ-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801533276 630341584 /nfs/dbraw/zinc/34/15/84/630341584.db2.gz KHAVCCCTSVKGAN-AWEZNQCLSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1nn(C[N@H+]2CCC[C@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120707036 630399100 /nfs/dbraw/zinc/39/91/00/630399100.db2.gz DFQBABYXXSCONI-CQSZACIVSA-N 1 0 294.399 3.124 20 5 CGBDRO C[C@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808728477 630671672 /nfs/dbraw/zinc/67/16/72/630671672.db2.gz PGQCDJOVHBWNGI-HZMBPMFUSA-N 1 0 273.336 3.007 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000811867057 631128346 /nfs/dbraw/zinc/12/83/46/631128346.db2.gz LJBHBYNXFRNSHD-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597472 631803550 /nfs/dbraw/zinc/80/35/50/631803550.db2.gz WPYLKFWXSOFEGO-MWLCHTKSSA-N 1 0 299.321 3.406 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600587 631804610 /nfs/dbraw/zinc/80/46/10/631804610.db2.gz YBQSHOSZDCKYDS-JQWIXIFHSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599481 631804700 /nfs/dbraw/zinc/80/47/00/631804700.db2.gz UJGAOOIXGPMRFR-SECBINFHSA-N 1 0 299.321 3.406 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000816646220 632031597 /nfs/dbraw/zinc/03/15/97/632031597.db2.gz AEEICMSNFGJFFA-LVRHIEOCSA-N 1 0 260.337 3.338 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817414214 632143826 /nfs/dbraw/zinc/14/38/26/632143826.db2.gz CKBKNBKEIIVHMR-QWHCGFSZSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000879405633 635778031 /nfs/dbraw/zinc/77/80/31/635778031.db2.gz BGMPSIOVDBWKOZ-CQSZACIVSA-N 1 0 296.342 3.171 20 5 CGBDRO CC[C@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819329556 632431117 /nfs/dbraw/zinc/43/11/17/632431117.db2.gz IJLWERDSTVSZSX-NOLJZWGESA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819334763 632432315 /nfs/dbraw/zinc/43/23/15/632432315.db2.gz KHLMCJKERPANTC-ZFWWWQNUSA-N 1 0 292.379 3.044 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H](C)C1 ZINC000823510182 633115512 /nfs/dbraw/zinc/11/55/12/633115512.db2.gz XAOQCEPPXBRRHZ-GHMZBOCLSA-N 1 0 293.323 3.123 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)F ZINC000866389819 633117238 /nfs/dbraw/zinc/11/72/38/633117238.db2.gz OYSJERFCQSXIAT-JTQLQIEISA-N 1 0 286.322 3.393 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000866541091 633183446 /nfs/dbraw/zinc/18/34/46/633183446.db2.gz WDHGENVBDMJCSL-HNNXBMFYSA-N 1 0 297.358 3.465 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866583984 633202573 /nfs/dbraw/zinc/20/25/73/633202573.db2.gz WGJWKRYMUYVZJS-AGIUHOORSA-N 1 0 292.404 3.341 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000866632811 633221473 /nfs/dbraw/zinc/22/14/73/633221473.db2.gz BXFPADMGPYAQPG-NORZTCDRSA-N 1 0 292.379 3.111 20 5 CGBDRO Cc1cc(OCCCCCCC[NH3+])ccc1[N+](=O)[O-] ZINC000830291211 633847631 /nfs/dbraw/zinc/84/76/31/633847631.db2.gz MSFNQUINSWPFES-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000871931757 633919394 /nfs/dbraw/zinc/91/93/94/633919394.db2.gz KDIUDZFQANVKAF-RUAUBTSSSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872018816 633939646 /nfs/dbraw/zinc/93/96/46/633939646.db2.gz QDKQVEKJEHWGOU-BDAKNGLRSA-N 1 0 252.289 3.183 20 5 CGBDRO CC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872037347 633956890 /nfs/dbraw/zinc/95/68/90/633956890.db2.gz DOBBUBQONJDUJQ-MNOVXSKESA-N 1 0 298.408 3.128 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000872047639 633970854 /nfs/dbraw/zinc/97/08/54/633970854.db2.gz FYKPZYQYBUGLEE-ZJUUUORDSA-N 1 0 298.433 3.473 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064762 633987313 /nfs/dbraw/zinc/98/73/13/633987313.db2.gz LRMOUDHMKMWMQB-LLVKDONJSA-N 1 0 298.358 3.326 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073409 633995960 /nfs/dbraw/zinc/99/59/60/633995960.db2.gz QPTSVPSLBZJYDZ-NEPJUHHUSA-N 1 0 297.374 3.113 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872079654 634002753 /nfs/dbraw/zinc/00/27/53/634002753.db2.gz ZHKZDEWKBUOSGL-WMFXKJRFSA-N 1 0 296.342 3.198 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081734 634006522 /nfs/dbraw/zinc/00/65/22/634006522.db2.gz JVVRKGJYZNNZOS-GVXVVHGQSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872109078 634033441 /nfs/dbraw/zinc/03/34/41/634033441.db2.gz GTUDUNSWSLNDNR-DLKVLKDVSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000872129496 634049537 /nfs/dbraw/zinc/04/95/37/634049537.db2.gz DKNWDOJFBPSGLL-XUJVJEKNSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873101030 634245815 /nfs/dbraw/zinc/24/58/15/634245815.db2.gz MAQHSRANRRHFAN-BBRMVZONSA-N 1 0 292.379 3.116 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000873098789 634246254 /nfs/dbraw/zinc/24/62/54/634246254.db2.gz ATQOIBDDSHODAT-DABQJJPHSA-N 1 0 292.379 3.257 20 5 CGBDRO Cc1cccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873118539 634250275 /nfs/dbraw/zinc/25/02/75/634250275.db2.gz LVBXYYWYSGYXCG-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCOC1(C)C ZINC000873138531 634257173 /nfs/dbraw/zinc/25/71/73/634257173.db2.gz IEESXQWPDVHJSK-ZDUSSCGKSA-N 1 0 292.379 3.116 20 5 CGBDRO C[C@@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000873296917 634323593 /nfs/dbraw/zinc/32/35/93/634323593.db2.gz NTPAFOGNHKOGKX-HFBAOOFYSA-N 1 0 297.358 3.390 20 5 CGBDRO COc1ccc(C[NH2+]CCC(C)(C)SC)cc1[N+](=O)[O-] ZINC000876984297 634943587 /nfs/dbraw/zinc/94/35/87/634943587.db2.gz FGADHONIRVYOOS-UHFFFAOYSA-N 1 0 298.408 3.225 20 5 CGBDRO CC[C@H]1CC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877548035 635083974 /nfs/dbraw/zinc/08/39/74/635083974.db2.gz DJIKIYMXMHUNMK-HXZBBRIXSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1 ZINC000840957787 635093481 /nfs/dbraw/zinc/09/34/81/635093481.db2.gz FCTJWGAYGFNYRQ-SCZZXKLOSA-N 1 0 286.784 3.232 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000840966608 635095362 /nfs/dbraw/zinc/09/53/62/635095362.db2.gz RHQYPIDHLAMXEO-ONGXEEELSA-N 1 0 270.279 3.037 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000877617191 635114420 /nfs/dbraw/zinc/11/44/20/635114420.db2.gz SLERUMKBCOJCHQ-CQSZACIVSA-N 1 0 296.317 3.443 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)c1 ZINC000844433822 635898804 /nfs/dbraw/zinc/89/88/04/635898804.db2.gz HXCSZFYEPCMLTR-CYBMUJFWSA-N 1 0 282.290 3.216 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880235648 635946981 /nfs/dbraw/zinc/94/69/81/635946981.db2.gz RBNDAEGRQTZXOU-NWDGAFQWSA-N 1 0 266.316 3.337 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880466762 636006404 /nfs/dbraw/zinc/00/64/04/636006404.db2.gz RCEAAKFMNCJNGO-RISCZKNCSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848518028 636584264 /nfs/dbraw/zinc/58/42/64/636584264.db2.gz GOURNCILBVRHKR-IAQYHMDHSA-N 1 0 286.331 3.396 20 5 CGBDRO C=C/C=C/CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883268341 636639948 /nfs/dbraw/zinc/63/99/48/636639948.db2.gz IZBJSTMLUWXCLQ-XGACYXMMSA-N 1 0 258.321 3.304 20 5 CGBDRO Cc1cccc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])c1 ZINC000849088795 636743154 /nfs/dbraw/zinc/74/31/54/636743154.db2.gz ZYOALTAODWMIIY-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2C=CCC2)c1 ZINC000850358172 637025969 /nfs/dbraw/zinc/02/59/69/637025969.db2.gz JABZQRCMHLCZLR-JTQLQIEISA-N 1 0 284.262 3.004 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1CCC1 ZINC000850445154 637067197 /nfs/dbraw/zinc/06/71/97/637067197.db2.gz PBZLKFDGGNGQCR-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000850530311 637107695 /nfs/dbraw/zinc/10/76/95/637107695.db2.gz XBIBQCROLVMGEA-GOPGUHFVSA-N 1 0 298.342 3.424 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956317 637330717 /nfs/dbraw/zinc/33/07/17/637330717.db2.gz NDIPHEYIHKWLTL-DGCLKSJQSA-N 1 0 263.341 3.000 20 5 CGBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989028 637344537 /nfs/dbraw/zinc/34/45/37/637344537.db2.gz UWBTVPWYJAHGPT-NEPJUHHUSA-N 1 0 277.368 3.389 20 5 CGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016792 637366185 /nfs/dbraw/zinc/36/61/85/637366185.db2.gz LXAYGYGKXSASQK-GXTWGEPZSA-N 1 0 277.368 3.390 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(c2ccccc2)CCC1 ZINC000886046693 637385204 /nfs/dbraw/zinc/38/52/04/637385204.db2.gz MSUUUWICKSGNLF-UHFFFAOYSA-N 1 0 283.331 3.159 20 5 CGBDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886114171 637420656 /nfs/dbraw/zinc/42/06/56/637420656.db2.gz IRZLKHXWTJKZLL-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000886114464 637421489 /nfs/dbraw/zinc/42/14/89/637421489.db2.gz PNSRSMORRCJOLQ-HNNXBMFYSA-N 1 0 283.331 3.231 20 5 CGBDRO CCCC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886124933 637425990 /nfs/dbraw/zinc/42/59/90/637425990.db2.gz DTKCEGDMBPTVGT-CQSZACIVSA-N 1 0 277.368 3.438 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886236263 637467243 /nfs/dbraw/zinc/46/72/43/637467243.db2.gz CTSWCMXXKCCTTQ-NWDGAFQWSA-N 1 0 263.341 3.000 20 5 CGBDRO CC1(C)CO[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000886307326 637492596 /nfs/dbraw/zinc/49/25/96/637492596.db2.gz PEZVWYPSJVJMNP-ZDUSSCGKSA-N 1 0 296.342 3.029 20 5 CGBDRO C[N@H+](CCCF)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000887139102 637757867 /nfs/dbraw/zinc/75/78/67/637757867.db2.gz ZWORSMPRDDFJJN-UHFFFAOYSA-N 1 0 260.696 3.040 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000927017407 638831849 /nfs/dbraw/zinc/83/18/49/638831849.db2.gz KZOFMJBUTICEKX-DZGCQCFKSA-N 1 0 294.395 3.057 20 5 CGBDRO COC/C(C)=C\CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061891 638972053 /nfs/dbraw/zinc/97/20/53/638972053.db2.gz VDXCVFMQDHBTDN-LCYFTJDESA-N 1 0 290.363 3.152 20 5 CGBDRO Cc1cccc(OCC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000048436986 640052452 /nfs/dbraw/zinc/05/24/52/640052452.db2.gz WCLASIRLMKEPTE-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773454 640802015 /nfs/dbraw/zinc/80/20/15/640802015.db2.gz VKKYGIBTSUQHPQ-NXEZZACHSA-N 1 0 254.305 3.258 20 5 CGBDRO c1ccc2nc3c(cccc3NC3=CC[NH2+]CC3)nc2c1 ZINC001159728055 806162079 /nfs/dbraw/zinc/16/20/79/806162079.db2.gz IFUIHQDHTIYNRI-UHFFFAOYSA-N 1 0 276.343 3.072 20 5 CGBDRO C[NH+](C)CCNc1nc2ccccc2c2ccccc21 ZINC001161672683 806413447 /nfs/dbraw/zinc/41/34/47/806413447.db2.gz AMWHPTDGYYWHTO-UHFFFAOYSA-N 1 0 265.360 3.362 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCCCC[NH+](C)C ZINC001161730933 806439306 /nfs/dbraw/zinc/43/93/06/806439306.db2.gz KCZPSHIDISMGLF-UHFFFAOYSA-N 1 0 279.384 3.274 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001254531674 806444684 /nfs/dbraw/zinc/44/46/84/806444684.db2.gz GPYCYCOPTPHODE-OUCADQQQSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001254538011 806446425 /nfs/dbraw/zinc/44/64/25/806446425.db2.gz MGSHUJVSAIUKEY-QVHKTLOISA-N 1 0 274.364 3.304 20 5 CGBDRO CC[N@H+](C(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550687 806448280 /nfs/dbraw/zinc/44/82/80/806448280.db2.gz OSURHGRRGAXPSZ-LBPRGKRZSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254583829 806455877 /nfs/dbraw/zinc/45/58/77/806455877.db2.gz OEVCINIDCVDUHR-XHDPSFHLSA-N 1 0 298.342 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC13CCCC3)C2 ZINC001254593201 806457268 /nfs/dbraw/zinc/45/72/68/806457268.db2.gz JUXUPJVRGJITEU-OAHLLOKOSA-N 1 0 272.348 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3CCC(CC3)C1)C2 ZINC001254605478 806459838 /nfs/dbraw/zinc/45/98/38/806459838.db2.gz AHTVNHHVCVPLBX-QWQCLYJRSA-N 1 0 286.375 3.184 20 5 CGBDRO CC(C)[PH+](CCNc1cc(N)c([N+](=O)[O-])cn1)C(C)C ZINC001162361643 806565721 /nfs/dbraw/zinc/56/57/21/806565721.db2.gz ARYFPWJFYWVODK-UHFFFAOYSA-N 1 0 298.327 3.283 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CCCC2)cs1 ZINC000037739802 798873131 /nfs/dbraw/zinc/87/31/31/798873131.db2.gz LPNLVJJSRUSJGC-UHFFFAOYSA-N 1 0 254.355 3.326 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000403449629 799566785 /nfs/dbraw/zinc/56/67/85/799566785.db2.gz FQVQSUGRMIYGGW-MRVWCRGKSA-N 1 0 260.337 3.181 20 5 CGBDRO CCC(C)(C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000686312587 799734865 /nfs/dbraw/zinc/73/48/65/799734865.db2.gz DOJPRXXDQDPNEB-CQSZACIVSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000695637700 799831313 /nfs/dbraw/zinc/83/13/13/799831313.db2.gz LADCXCUGXBHKAQ-UWVGGRQHSA-N 1 0 268.744 3.405 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(C2CCC2)CC1 ZINC000697377318 799845915 /nfs/dbraw/zinc/84/59/15/799845915.db2.gz YHWTWVHFTQZDQU-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO Cc1c(C[NH2+]CC2CC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000701953451 799901404 /nfs/dbraw/zinc/90/14/04/799901404.db2.gz XDECEVORTVTPAD-UHFFFAOYSA-N 1 0 262.353 3.429 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000701964825 799901442 /nfs/dbraw/zinc/90/14/42/799901442.db2.gz GOJIDKDVEVNXEO-SECBINFHSA-N 1 0 290.697 3.383 20 5 CGBDRO C[NH+](C)C1(C)CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000715532234 800138951 /nfs/dbraw/zinc/13/89/51/800138951.db2.gz KQRYAMSKSHUZCT-UHFFFAOYSA-N 1 0 277.368 3.270 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000720224123 800253482 /nfs/dbraw/zinc/25/34/82/800253482.db2.gz KFKRZQXCKHCIKG-VIFPVBQESA-N 1 0 286.759 3.151 20 5 CGBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001164378791 806943133 /nfs/dbraw/zinc/94/31/33/806943133.db2.gz BFRCUBARBMLJQG-ZMLRMANQSA-N 1 0 295.770 3.000 20 5 CGBDRO O[C@@]1(CNc2cccc3cc4ccccc4cc32)CC[NH2+]C1 ZINC001245965577 804089857 /nfs/dbraw/zinc/08/98/57/804089857.db2.gz KTDJLELGHJYHCI-IBGZPJMESA-N 1 0 292.382 3.129 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC001168202436 807348683 /nfs/dbraw/zinc/34/86/83/807348683.db2.gz USCWYSWAZXYDDZ-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001168956848 807541365 /nfs/dbraw/zinc/54/13/65/807541365.db2.gz GBTXPTFAQXLZOM-XJKSGUPXSA-N 1 0 284.359 3.375 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001168966191 807542933 /nfs/dbraw/zinc/54/29/33/807542933.db2.gz GYQJIMSVWCLMHZ-QWRGUYRKSA-N 1 0 286.734 3.014 20 5 CGBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984713 807547251 /nfs/dbraw/zinc/54/72/51/807547251.db2.gz QFDNZUWJKWPAAE-UXIGCNINSA-N 1 0 296.798 3.306 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001168988312 807547948 /nfs/dbraw/zinc/54/79/48/807547948.db2.gz QTMKHAVHOMEQDF-HZPDHXFCSA-N 1 0 276.380 3.044 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC001168988308 807548016 /nfs/dbraw/zinc/54/80/16/807548016.db2.gz QTLZZDKTXSUUBA-KNXALSJPSA-N 1 0 292.354 3.312 20 5 CGBDRO Cc1ccccc1CC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168991999 807548223 /nfs/dbraw/zinc/54/82/23/807548223.db2.gz IVNNHYPKVLWTEV-HOCLYGCPSA-N 1 0 290.407 3.351 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001169001693 807548691 /nfs/dbraw/zinc/54/86/91/807548691.db2.gz HNLXMEMBNZMCTJ-PQEBFOHHSA-N 1 0 288.391 3.358 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168992847 807549086 /nfs/dbraw/zinc/54/90/86/807549086.db2.gz LDNGNFUGAFJAHE-VXGBXAGGSA-N 1 0 280.343 3.096 20 5 CGBDRO CC1(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998542 807549467 /nfs/dbraw/zinc/54/94/67/807549467.db2.gz OKBOPUHIAHWGMB-VXGBXAGGSA-N 1 0 290.354 3.237 20 5 CGBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011948 807553589 /nfs/dbraw/zinc/55/35/89/807553589.db2.gz NWCILOGBMVJJHI-GZBFAFLISA-N 1 0 274.364 3.051 20 5 CGBDRO CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169021865 807554143 /nfs/dbraw/zinc/55/41/43/807554143.db2.gz APBSEVUOLXUZJL-HZPDHXFCSA-N 1 0 276.380 3.344 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037252 807556347 /nfs/dbraw/zinc/55/63/47/807556347.db2.gz RLPMAMDYRJDYPX-TZMCWYRMSA-N 1 0 282.771 3.217 20 5 CGBDRO CC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040149 807556809 /nfs/dbraw/zinc/55/68/09/807556809.db2.gz YGQHAJYCZUMDRU-ZFWWWQNUSA-N 1 0 280.343 3.093 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)C1 ZINC001169039516 807556820 /nfs/dbraw/zinc/55/68/20/807556820.db2.gz QNGNBRBVNOAWPP-MCIONIFRSA-N 1 0 284.375 3.036 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001169039660 807557691 /nfs/dbraw/zinc/55/76/91/807557691.db2.gz RXTOGRFAZGHTBS-KBMXLJTQSA-N 1 0 280.412 3.477 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169046899 807558219 /nfs/dbraw/zinc/55/82/19/807558219.db2.gz OGFWINLEZPWAGT-APHBMKBZSA-N 1 0 292.354 3.408 20 5 CGBDRO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050186 807560339 /nfs/dbraw/zinc/56/03/39/807560339.db2.gz ZGDBFQPDMVWOGU-JKSUJKDBSA-N 1 0 276.380 3.262 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170298105 807820474 /nfs/dbraw/zinc/82/04/74/807820474.db2.gz FMHYSBKHUMNIDK-YWPYICTPSA-N 1 0 292.379 3.313 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334761 807826851 /nfs/dbraw/zinc/82/68/51/807826851.db2.gz IFCCQOFJNFSNEI-NEPJUHHUSA-N 1 0 280.368 3.265 20 5 CGBDRO c1cnc2c(c1)cc(NC[C@H]1CCCC[NH2+]1)c1cccnc12 ZINC001171333774 808029171 /nfs/dbraw/zinc/02/91/71/808029171.db2.gz FHRUIBRILPFRET-CQSZACIVSA-N 1 0 292.386 3.337 20 5 CGBDRO O=[N+]([O-])c1cc(NC[C@@H]2CCCC[NH2+]2)cc2ccccc21 ZINC001171340469 808031859 /nfs/dbraw/zinc/03/18/59/808031859.db2.gz QXQCYPLKFIOLSU-ZDUSSCGKSA-N 1 0 285.347 3.302 20 5 CGBDRO CC1CC(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172896256 808474828 /nfs/dbraw/zinc/47/48/28/808474828.db2.gz NNRXJPKKDUDBRW-ZUEPYMLJSA-N 1 0 288.391 3.478 20 5 CGBDRO CC(C)(C)C(=[NH2+])N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896695 808474949 /nfs/dbraw/zinc/47/49/49/808474949.db2.gz RFEKVUPQCVEGLZ-ZDUSSCGKSA-N 1 0 289.379 3.455 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C(C)(C)C)c1F ZINC001173188154 808533892 /nfs/dbraw/zinc/53/38/92/808533892.db2.gz CUCTVPIGFHBSOG-SNVBAGLBSA-N 1 0 298.358 3.404 20 5 CGBDRO CCC(CC)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217358 808538490 /nfs/dbraw/zinc/53/84/90/808538490.db2.gz UMUCEBQICIIOKW-NSHDSACASA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccs1 ZINC001173216991 808538908 /nfs/dbraw/zinc/53/89/08/808538908.db2.gz OPEWLIKESOXAOP-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO C[NH2+]Cc1ccc(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC001173228193 808541332 /nfs/dbraw/zinc/54/13/32/808541332.db2.gz UGBAJKWWACGTSE-ZDUSSCGKSA-N 1 0 299.374 3.357 20 5 CGBDRO CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H]1CCCO1 ZINC001180158638 809980162 /nfs/dbraw/zinc/98/01/62/809980162.db2.gz ZAMGUJJBTLYGEJ-AWEZNQCLSA-N 1 0 292.379 3.213 20 5 CGBDRO [NH3+]CCN(CCC1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001181554922 810059212 /nfs/dbraw/zinc/05/92/12/810059212.db2.gz HMBYAGIUZSAWFA-UHFFFAOYSA-N 1 0 291.395 3.330 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001186872728 810368512 /nfs/dbraw/zinc/36/85/12/810368512.db2.gz PMHLBQYIGYWIPO-ZBFHGGJFSA-N 1 0 289.379 3.332 20 5 CGBDRO CCC[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001192910830 810826649 /nfs/dbraw/zinc/82/66/49/810826649.db2.gz XGHRZODPIXAUJW-GFCCVEGCSA-N 1 0 290.285 3.413 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3ncccc23)c1 ZINC001203582711 812399223 /nfs/dbraw/zinc/39/92/23/812399223.db2.gz JRZSRBJRNKQLCS-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(c3ccccc3)C2)cc1 ZINC001207111615 813487479 /nfs/dbraw/zinc/48/74/79/813487479.db2.gz ZIZIWVUDXWYVFR-UHFFFAOYSA-N 1 0 282.343 3.237 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CCC[NH2+]C3)cc2)cc1 ZINC001217960888 816018810 /nfs/dbraw/zinc/01/88/10/816018810.db2.gz WXQNIKGYYYSNLO-QGZVFWFLSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001217965623 816020462 /nfs/dbraw/zinc/02/04/62/816020462.db2.gz RAKIUFQAOBPTCA-PXAZEXFGSA-N 1 0 278.355 3.375 20 5 CGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC001217987970 816034907 /nfs/dbraw/zinc/03/49/07/816034907.db2.gz JCIWWKWMHARTNI-GWCFXTLKSA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@H](Oc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC001218002346 816044220 /nfs/dbraw/zinc/04/42/20/816044220.db2.gz FGQLMHHOVZSJOJ-VIFPVBQESA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001218026264 816061621 /nfs/dbraw/zinc/06/16/21/816061621.db2.gz HTOCLPRHXFCRJR-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001218028882 816064023 /nfs/dbraw/zinc/06/40/23/816064023.db2.gz YBAKGUKYJSEEKO-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001218034472 816066191 /nfs/dbraw/zinc/06/61/91/816066191.db2.gz PFDMILLKRDABEM-YGRLFVJLSA-N 1 0 292.379 3.287 20 5 CGBDRO Oc1c2ccccc2c(OC2C[NH2+]C2)c2ccccc12 ZINC001218048919 816074560 /nfs/dbraw/zinc/07/45/60/816074560.db2.gz AKTFALFSJWDGCK-UHFFFAOYSA-N 1 0 265.312 3.049 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1Cl ZINC001218062762 816081958 /nfs/dbraw/zinc/08/19/58/816081958.db2.gz WFNVRWBZKQWZIT-UWVGGRQHSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc(O[C@@H]2CCC23CC[NH2+]CC3)cc(C)c1[N+](=O)[O-] ZINC001218084761 816089002 /nfs/dbraw/zinc/08/90/02/816089002.db2.gz JQKCEJYDFNQXSK-CQSZACIVSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218092240 816094254 /nfs/dbraw/zinc/09/42/54/816094254.db2.gz QMGUPFXQJTZVEX-KGLIPLIRSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc1Cl ZINC001218095375 816095933 /nfs/dbraw/zinc/09/59/33/816095933.db2.gz PKFSJZOKKSEZSF-KGLIPLIRSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[C@@]23CC[NH2+]C3)ccc2ccccc21 ZINC001218116045 816103780 /nfs/dbraw/zinc/10/37/80/816103780.db2.gz IWDXFRXDOQWGTP-WBVHZDCISA-N 1 0 298.342 3.269 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218255902 816143881 /nfs/dbraw/zinc/14/38/81/816143881.db2.gz OWUFKLJJBMPYEA-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@H](Oc1ccc2c(c1)CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218343274 816172862 /nfs/dbraw/zinc/17/28/62/816172862.db2.gz DWVOMANNALNUFL-LBPRGKRZSA-N 1 0 298.342 3.381 20 5 CGBDRO Cc1cccc(COC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001223661508 816664296 /nfs/dbraw/zinc/66/42/96/816664296.db2.gz RJXHFJIGTQIIHJ-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001224019078 816720847 /nfs/dbraw/zinc/72/08/47/816720847.db2.gz CDJAYDBZTFXTRO-OLZOCXBDSA-N 1 0 280.368 3.403 20 5 CGBDRO Cc1ccc(Cl)cc1[C@@H](C)OCC[N+](C)(C)C ZINC001224775063 816878277 /nfs/dbraw/zinc/87/82/77/816878277.db2.gz IDCGJOONJMERMM-GFCCVEGCSA-N 1 0 256.797 3.432 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1ncc(C(F)(F)F)cc1F ZINC001224776449 816879431 /nfs/dbraw/zinc/87/94/31/816879431.db2.gz VUTHOOVLFMKOAP-SECBINFHSA-N 1 0 295.300 3.023 20 5 CGBDRO Cc1ccc2cccc(O[C@@H](C)C[N+](C)(C)C)c2n1 ZINC001225476262 817065145 /nfs/dbraw/zinc/06/51/45/817065145.db2.gz QYGLLPIBLURQCV-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225790147 817179497 /nfs/dbraw/zinc/17/94/97/817179497.db2.gz ZUOBPRITKJPJOQ-SNVBAGLBSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1cc(Cl)c(O[C@H](C)C[N+](C)(C)C)cc1C ZINC001227121308 817564950 /nfs/dbraw/zinc/56/49/50/817564950.db2.gz BIMPQTATPXZCLL-GFCCVEGCSA-N 1 0 256.797 3.430 20 5 CGBDRO CC[C@@H](C)OC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227414186 817644146 /nfs/dbraw/zinc/64/41/46/817644146.db2.gz OPACITZCWKGFSB-ZIAGYGMSSA-N 1 0 294.415 3.115 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228173177 817831221 /nfs/dbraw/zinc/83/12/21/817831221.db2.gz IKOJCTUDYXWWMU-HNNXBMFYSA-N 1 0 278.355 3.471 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228742078 817995820 /nfs/dbraw/zinc/99/58/20/817995820.db2.gz VMEGMUBLWXKFHK-AWEZNQCLSA-N 1 0 293.370 3.256 20 5 CGBDRO Cc1c(C[NH2+]Cc2cccn2C2CC2)cccc1[N+](=O)[O-] ZINC001344070879 936524727 /nfs/dbraw/zinc/52/47/27/936524727.db2.gz XHVCPKXSUOLTNJ-UHFFFAOYSA-N 1 0 285.347 3.329 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC001350441389 936991246 /nfs/dbraw/zinc/99/12/46/936991246.db2.gz RYTKUTJODMXKDT-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC001308135614 928813359 /nfs/dbraw/zinc/81/33/59/928813359.db2.gz RBBVBUWOYMIIPY-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1C[NH+]2CCC1CC2 ZINC001458701235 937472325 /nfs/dbraw/zinc/47/23/25/937472325.db2.gz IPDUTYDLBWNCJK-NSHDSACASA-N 1 0 295.770 3.002 20 5 CGBDRO COc1cccc2c(O[C@H](C)C[N+](C)(C)C)cccc12 ZINC001229810500 932487283 /nfs/dbraw/zinc/48/72/83/932487283.db2.gz HJMVYOINHXADDR-CYBMUJFWSA-N 1 0 274.384 3.322 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC1CCC([NH+](C)C)CC1 ZINC001230723333 932614668 /nfs/dbraw/zinc/61/46/68/932614668.db2.gz ISUFAIILHGJRSQ-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1C(F)(F)F ZINC001230754480 932619491 /nfs/dbraw/zinc/61/94/91/932619491.db2.gz PGAQDGXZULMUJZ-MRVPVSSYSA-N 1 0 297.728 3.227 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230942020 932645116 /nfs/dbraw/zinc/64/51/16/932645116.db2.gz ZWZCMFZEYYJIQQ-QGZVFWFLSA-N 1 0 298.342 3.345 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001231061806 932669878 /nfs/dbraw/zinc/66/98/78/932669878.db2.gz UHSILYBOCRMDDF-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1c(Cl)cnc(O[C@H](C)C[N+](C)(C)C)c1Cl ZINC001231066774 932671689 /nfs/dbraw/zinc/67/16/89/932671689.db2.gz GVCTVPIBBXILCB-MRVPVSSYSA-N 1 0 278.203 3.170 20 5 CGBDRO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001306932370 932896596 /nfs/dbraw/zinc/89/65/96/932896596.db2.gz UHQRFTRVXJECJM-NEPJUHHUSA-N 1 0 295.358 3.409 20 5 CGBDRO Cc1ncc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC001308339355 933097550 /nfs/dbraw/zinc/09/75/50/933097550.db2.gz BNIPQQZIUGHIIG-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001308958738 933213383 /nfs/dbraw/zinc/21/33/83/933213383.db2.gz MAAVGVPSWHFPEW-BZPMIXESSA-N 1 0 262.353 3.477 20 5 CGBDRO CCCC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CC1 ZINC001336674221 936204747 /nfs/dbraw/zinc/20/47/47/936204747.db2.gz WCKVZCOHOUSHOT-UHFFFAOYSA-N 1 0 294.351 3.074 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001522827618 938037951 /nfs/dbraw/zinc/03/79/51/938037951.db2.gz VKVAXYCMSUFQIV-LLVKDONJSA-N 1 0 293.367 3.008 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001560803832 938276789 /nfs/dbraw/zinc/27/67/89/938276789.db2.gz GZZDRNQIYIVORO-MRXNPFEDSA-N 1 0 292.379 3.213 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1CSC1 ZINC001561052678 938291745 /nfs/dbraw/zinc/29/17/45/938291745.db2.gz IMFZXMCCDAIOFB-UHFFFAOYSA-N 1 0 280.393 3.054 20 5 CGBDRO C[C@@H](NC[C@H]([NH3+])CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001579414537 962627960 /nfs/dbraw/zinc/62/79/60/962627960.db2.gz IQEXVOSLKGATQS-TZMCWYRMSA-N 1 0 293.411 3.399 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000273083032 192038040 /nfs/dbraw/zinc/03/80/40/192038040.db2.gz QYTJMEYNRPZLPN-UONOGXRCSA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)c1 ZINC000590599137 346854318 /nfs/dbraw/zinc/85/43/18/346854318.db2.gz AHFRLJCNYAUMLF-OAHLLOKOSA-N 1 0 297.358 3.369 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000449214740 529607810 /nfs/dbraw/zinc/60/78/10/529607810.db2.gz ZBCFZAKDAHCGRZ-HNNXBMFYSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414293382 529652463 /nfs/dbraw/zinc/65/24/63/529652463.db2.gz MLXMFUFQTCDZAN-CQDKDKBSSA-N 1 0 280.368 3.041 20 5 CGBDRO CN(CCC[NH+]1CCCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000358670277 529886607 /nfs/dbraw/zinc/88/66/07/529886607.db2.gz WFTWJYZLJGQISF-UHFFFAOYSA-N 1 0 297.786 3.170 20 5 CGBDRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000593103377 347039069 /nfs/dbraw/zinc/03/90/69/347039069.db2.gz PIMCANPFUOJFAY-SNVBAGLBSA-N 1 0 266.341 3.128 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000128246390 187359350 /nfs/dbraw/zinc/35/93/50/187359350.db2.gz LXVVGYCSOKLPKK-CQSZACIVSA-N 1 0 291.395 3.040 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672591 344964693 /nfs/dbraw/zinc/96/46/93/344964693.db2.gz PGPOFPIAVZVFAK-HOCLYGCPSA-N 1 0 291.395 3.120 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000034376527 344939273 /nfs/dbraw/zinc/93/92/73/344939273.db2.gz XIIHBXIXEGQLAN-UHFFFAOYSA-N 1 0 296.370 3.237 20 5 CGBDRO CC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051532851 345090871 /nfs/dbraw/zinc/09/08/71/345090871.db2.gz HSPMUIOAVLSDCD-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051686799 345092032 /nfs/dbraw/zinc/09/20/32/345092032.db2.gz DTXYRDCRNNDBCM-LBPRGKRZSA-N 1 0 266.341 3.094 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994726 345095217 /nfs/dbraw/zinc/09/52/17/345095217.db2.gz PNTKOSFABCHBKY-OAGGEKHMSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC[NH+](CCC)CCOc1cccc([N+](=O)[O-])c1 ZINC000058591449 345197788 /nfs/dbraw/zinc/19/77/88/345197788.db2.gz SJKWFNMETVMMJQ-UHFFFAOYSA-N 1 0 266.341 3.096 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccncc1[N+](=O)[O-] ZINC000066809061 345306721 /nfs/dbraw/zinc/30/67/21/345306721.db2.gz CHDIRRAZQJLHRZ-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO CN1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc21 ZINC000069087977 345372480 /nfs/dbraw/zinc/37/24/80/345372480.db2.gz QQPPLITUAOKGIA-UHFFFAOYSA-N 1 0 297.358 3.047 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000070939204 345398722 /nfs/dbraw/zinc/39/87/22/345398722.db2.gz DDGZIOJUQLCINA-UHFFFAOYSA-N 1 0 281.315 3.366 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121399108 346002245 /nfs/dbraw/zinc/00/22/45/346002245.db2.gz AYBRAUDXOQQOAW-MCIONIFRSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159688145 346168542 /nfs/dbraw/zinc/16/85/42/346168542.db2.gz YWQSXRHTHOPIBZ-ZFWWWQNUSA-N 1 0 260.337 3.359 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1OCC[NH+]1CCCCC1 ZINC000177990366 232378963 /nfs/dbraw/zinc/37/89/63/232378963.db2.gz BTVXUPMWIWZSAU-UHFFFAOYSA-N 1 0 284.743 3.113 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000593591376 347093308 /nfs/dbraw/zinc/09/33/08/347093308.db2.gz VKAWZGBCKBWKNW-CYBMUJFWSA-N 1 0 280.368 3.136 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593681424 347103907 /nfs/dbraw/zinc/10/39/07/347103907.db2.gz GRUVEZNEZYIWSV-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)C[C@@H](C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000589170007 346785764 /nfs/dbraw/zinc/78/57/64/346785764.db2.gz BHYMDDLZURLLHS-CYBMUJFWSA-N 1 0 264.369 3.409 20 5 CGBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594045270 347144253 /nfs/dbraw/zinc/14/42/53/347144253.db2.gz UWLSHXHRIKPPGB-RYUDHWBXSA-N 1 0 284.381 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000594510036 347183067 /nfs/dbraw/zinc/18/30/67/347183067.db2.gz NLEHSESZGGWFCY-CVEARBPZSA-N 1 0 290.363 3.032 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000594518238 347187149 /nfs/dbraw/zinc/18/71/49/347187149.db2.gz NKHOUXMWNXIUCU-MQMHXKEQSA-N 1 0 278.352 3.031 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000594996291 347252186 /nfs/dbraw/zinc/25/21/86/347252186.db2.gz AAOVIMZFXISDED-MRXNPFEDSA-N 1 0 292.379 3.280 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000594973325 347246342 /nfs/dbraw/zinc/24/63/42/347246342.db2.gz QQAIHTQWSGQPCE-KOMQPUFPSA-N 1 0 298.342 3.294 20 5 CGBDRO CCSC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000594986766 347249540 /nfs/dbraw/zinc/24/95/40/347249540.db2.gz JCYASSNQNDAXRU-FNORWQNLSA-N 1 0 292.404 3.483 20 5 CGBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595297246 347288270 /nfs/dbraw/zinc/28/82/70/347288270.db2.gz KZJRHPJKQUFNKI-CYZMBNFOSA-N 1 0 293.367 3.292 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000595325741 347291870 /nfs/dbraw/zinc/29/18/70/347291870.db2.gz VPGOKFCRYWJQDT-HNNXBMFYSA-N 1 0 291.351 3.214 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC2(CC2)CC1 ZINC000595402373 347299201 /nfs/dbraw/zinc/29/92/01/347299201.db2.gz XVIYJGTXUYCXFK-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C ZINC000595009679 347255901 /nfs/dbraw/zinc/25/59/01/347255901.db2.gz UWCLKPJIMFTPAC-JTQLQIEISA-N 1 0 266.341 3.300 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000595035942 347265475 /nfs/dbraw/zinc/26/54/75/347265475.db2.gz NSWOLYWZZOTLHS-QWRGUYRKSA-N 1 0 278.352 3.443 20 5 CGBDRO CC/C=C\C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039743 347266185 /nfs/dbraw/zinc/26/61/85/347266185.db2.gz BUOIXFUORSZNJF-ISALQUGTSA-N 1 0 264.325 3.220 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595087829 347280455 /nfs/dbraw/zinc/28/04/55/347280455.db2.gz FEUYISDBSYZJJT-XJKSGUPXSA-N 1 0 292.379 3.044 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094909 347281876 /nfs/dbraw/zinc/28/18/76/347281876.db2.gz OGKWVOKVKFENEF-WBMJQRKESA-N 1 0 292.379 3.451 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1[N+](=O)[O-] ZINC000595754742 347350665 /nfs/dbraw/zinc/35/06/65/347350665.db2.gz BPCJKKNJJGDEQN-LBPRGKRZSA-N 1 0 296.342 3.175 20 5 CGBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595510672 347313523 /nfs/dbraw/zinc/31/35/23/347313523.db2.gz MPVQGDUJGZNHHB-HNNXBMFYSA-N 1 0 292.379 3.235 20 5 CGBDRO CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595560165 347319749 /nfs/dbraw/zinc/31/97/49/347319749.db2.gz IVUXHCDGLJKFLA-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO CC(C)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000595832995 347362775 /nfs/dbraw/zinc/36/27/75/347362775.db2.gz YXVANLINTDDNDA-UHFFFAOYSA-N 1 0 289.335 3.404 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305914 347414064 /nfs/dbraw/zinc/41/40/64/347414064.db2.gz CWXQVQGXTUQPKS-CYBMUJFWSA-N 1 0 277.368 3.188 20 5 CGBDRO CCCCC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595870859 347369060 /nfs/dbraw/zinc/36/90/60/347369060.db2.gz KKXYSAGALRCLAA-CQSZACIVSA-N 1 0 294.399 3.226 20 5 CGBDRO COCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000595912299 347371789 /nfs/dbraw/zinc/37/17/89/347371789.db2.gz ZSRVFMVNOPWVLL-UHFFFAOYSA-N 1 0 284.381 3.095 20 5 CGBDRO Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596055097 347377506 /nfs/dbraw/zinc/37/75/06/347377506.db2.gz SAUFEJHNIYBOLX-LLVKDONJSA-N 1 0 295.364 3.273 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC1 ZINC000598977830 347703304 /nfs/dbraw/zinc/70/33/04/347703304.db2.gz OAWNTGWVSXRWPF-RLCCDNCMSA-N 1 0 274.364 3.162 20 5 CGBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2cccc([N+](=O)[O-])c2)nc1 ZINC000598991320 347704314 /nfs/dbraw/zinc/70/43/14/347704314.db2.gz NRWAZYQPWJGJLF-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H]2C[C@H]2C1 ZINC000599005758 347706022 /nfs/dbraw/zinc/70/60/22/347706022.db2.gz RGAMLGRGBQGURA-NHAGDIPZSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC23CC3)cs1 ZINC000599016078 347706093 /nfs/dbraw/zinc/70/60/93/347706093.db2.gz JLZKNCJZGYAVOK-LLVKDONJSA-N 1 0 266.366 3.326 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(Cc2cccs2)C1 ZINC000600216238 347794758 /nfs/dbraw/zinc/79/47/58/347794758.db2.gz WVAFYMYVAXUTAD-UHFFFAOYSA-N 1 0 288.372 3.331 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000601149757 347875585 /nfs/dbraw/zinc/87/55/85/347875585.db2.gz RNBJRLAPZFWBLH-HLXKVEEXSA-N 1 0 290.363 3.154 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cs1 ZINC000601155802 347876083 /nfs/dbraw/zinc/87/60/83/347876083.db2.gz GLQLPJJHLFPHOF-JSGCOSHPSA-N 1 0 296.392 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000601156140 347876192 /nfs/dbraw/zinc/87/61/92/347876192.db2.gz LNFFJSVYBPCMKG-JKSUJKDBSA-N 1 0 290.363 3.032 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000601289145 347889354 /nfs/dbraw/zinc/88/93/54/347889354.db2.gz IWZWZFPGAYXXTO-CHWSQXEVSA-N 1 0 280.368 3.105 20 5 CGBDRO CC1(CC(F)F)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000602698718 348011989 /nfs/dbraw/zinc/01/19/89/348011989.db2.gz FVBWFQIDKUJISL-UHFFFAOYSA-N 1 0 284.306 3.114 20 5 CGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777611 348027408 /nfs/dbraw/zinc/02/74/08/348027408.db2.gz HLVGSNWSYQCOCN-OCCSQVGLSA-N 1 0 294.399 3.000 20 5 CGBDRO Cc1c(C[N@@H+](C)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000608886424 348333536 /nfs/dbraw/zinc/33/35/36/348333536.db2.gz QQQNLVHLCSZUIE-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609040589 348335777 /nfs/dbraw/zinc/33/57/77/348335777.db2.gz ADZOMULKFOKKET-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO C[C@@H]([N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000610619610 348392724 /nfs/dbraw/zinc/39/27/24/348392724.db2.gz ZGGLMCDAPPXLQZ-CYBMUJFWSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000610715986 348399021 /nfs/dbraw/zinc/39/90/21/348399021.db2.gz WRKLHCIHJFPRKD-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1cc(Nc2cnn(-c3cc[nH+]cc3)c2)ccc1[N+](=O)[O-] ZINC000611297150 348436000 /nfs/dbraw/zinc/43/60/00/348436000.db2.gz QJRPZRIKRIGYAC-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000611413753 348449436 /nfs/dbraw/zinc/44/94/36/348449436.db2.gz RGBPCIDXSNTOJO-GFCCVEGCSA-N 1 0 297.424 3.436 20 5 CGBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000614992385 348706221 /nfs/dbraw/zinc/70/62/21/348706221.db2.gz NTWGYLOYQJDXFC-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000615942286 348777136 /nfs/dbraw/zinc/77/71/36/348777136.db2.gz WCOOEZYOMJYEQN-GFCCVEGCSA-N 1 0 295.770 3.144 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000358194958 233077573 /nfs/dbraw/zinc/07/75/73/233077573.db2.gz UEZVPURUIUCGFJ-WDEREUQCSA-N 1 0 266.366 3.059 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618988408 349191831 /nfs/dbraw/zinc/19/18/31/349191831.db2.gz IQSOMPIURPQEOH-IINYFYTJSA-N 1 0 292.379 3.066 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCOCC1 ZINC000537357330 288526011 /nfs/dbraw/zinc/52/60/11/288526011.db2.gz MPAHKRKKSDSONU-STQMWFEESA-N 1 0 278.352 3.123 20 5 CGBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000117394318 186749597 /nfs/dbraw/zinc/74/95/97/186749597.db2.gz KMHDEDYUBSUPQJ-TZMCWYRMSA-N 1 0 280.393 3.359 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@@H]1C1CC1 ZINC000291582093 198042810 /nfs/dbraw/zinc/04/28/10/198042810.db2.gz OZVMBXJDEHCLJM-HNNXBMFYSA-N 1 0 272.348 3.359 20 5 CGBDRO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291737307 198075176 /nfs/dbraw/zinc/07/51/76/198075176.db2.gz JVUKZVITFRZWRL-CYBMUJFWSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124282847 187129990 /nfs/dbraw/zinc/12/99/90/187129990.db2.gz MTNPHAMJNONDKC-DZGCQCFKSA-N 1 0 292.379 3.110 20 5 CGBDRO CC(C)[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000132481180 187630227 /nfs/dbraw/zinc/63/02/27/187630227.db2.gz GTEUYFYGJHXLSL-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000271478281 191162299 /nfs/dbraw/zinc/16/22/99/191162299.db2.gz JHIVEJPVMBVWIT-DRZSPHRISA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)([NH2+]CCCCF)c1ccccc1[N+](=O)[O-] ZINC000292128088 198173534 /nfs/dbraw/zinc/17/35/34/198173534.db2.gz KXUWYLTZWOMRRG-UHFFFAOYSA-N 1 0 254.305 3.169 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292359873 198258883 /nfs/dbraw/zinc/25/88/83/198258883.db2.gz IBFNENURLXMOJL-LBPRGKRZSA-N 1 0 298.383 3.309 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CS[C@H](C)C1 ZINC000414222774 235368233 /nfs/dbraw/zinc/36/82/33/235368233.db2.gz FQOVRIRYSGTJNL-YRGRVCCFSA-N 1 0 294.420 3.400 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000414342469 235392327 /nfs/dbraw/zinc/39/23/27/235392327.db2.gz PRYYDFUKRPXUIB-ZLKJLUDKSA-N 1 0 272.304 3.395 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000426828803 236317307 /nfs/dbraw/zinc/31/73/07/236317307.db2.gz WSVYXKBWYTXNAH-ZIAGYGMSSA-N 1 0 290.363 3.096 20 5 CGBDRO COc1ccc(CNc2ccc3c([nH+]2)CCC3)cc1[N+](=O)[O-] ZINC000294864463 199220293 /nfs/dbraw/zinc/22/02/93/199220293.db2.gz ORZIXOAWDBMARO-UHFFFAOYSA-N 1 0 299.330 3.099 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000297293590 200137610 /nfs/dbraw/zinc/13/76/10/200137610.db2.gz LYTHLNCPCPILOM-OLZOCXBDSA-N 1 0 280.368 3.369 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000178660978 189135574 /nfs/dbraw/zinc/13/55/74/189135574.db2.gz LYMZCPVOFYIZFN-RISCZKNCSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178721947 189140469 /nfs/dbraw/zinc/14/04/69/189140469.db2.gz QSOVESRFRLSDKS-WDEREUQCSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1ncsc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454590 189256663 /nfs/dbraw/zinc/25/66/63/189256663.db2.gz YLYDNHSGRPNCGX-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C2CCSCC2)cccc1[N+](=O)[O-] ZINC000180508771 189259734 /nfs/dbraw/zinc/25/97/34/189259734.db2.gz KMEPPXVSXVFZPO-LLVKDONJSA-N 1 0 280.393 3.449 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000342275164 216286939 /nfs/dbraw/zinc/28/69/39/216286939.db2.gz AGPGUDCHGWNLOS-VHSXEESVSA-N 1 0 272.707 3.228 20 5 CGBDRO Cc1ccnc(NCCC[NH2+]C2CCCCC2)c1[N+](=O)[O-] ZINC000301306494 200971623 /nfs/dbraw/zinc/97/16/23/200971623.db2.gz UZDSHOFLOUCRRU-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO Cc1ccc(NCCC[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000301453484 201014022 /nfs/dbraw/zinc/01/40/22/201014022.db2.gz VEVPBPOVFDDKNL-UHFFFAOYSA-N 1 0 277.368 3.191 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000301626317 201103711 /nfs/dbraw/zinc/10/37/11/201103711.db2.gz ZXGPRTPTSIFPDS-AWEZNQCLSA-N 1 0 291.395 3.293 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccccc21 ZINC000449137597 239199043 /nfs/dbraw/zinc/19/90/43/239199043.db2.gz YNWKHCHWYDHGCP-DOMZBBRYSA-N 1 0 298.342 3.249 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](C2CCC2)CC1 ZINC000450876586 240130575 /nfs/dbraw/zinc/13/05/75/240130575.db2.gz JFYKZUQJRCPMQS-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CCOCC1 ZINC000120709057 370793743 /nfs/dbraw/zinc/79/37/43/370793743.db2.gz ZDSQUBBBONGOMJ-CYBMUJFWSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)nc1C ZINC000459662601 242169817 /nfs/dbraw/zinc/16/98/17/242169817.db2.gz HEOJXJOBXORSDH-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459781872 242230553 /nfs/dbraw/zinc/23/05/53/242230553.db2.gz YPLQTNHDJWIHIZ-UXOAXIEHSA-N 1 0 274.364 3.304 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000468635128 242649414 /nfs/dbraw/zinc/64/94/14/242649414.db2.gz MCEWCSYUYQDVCC-HPJOQNQSSA-N 1 0 260.337 3.244 20 5 CGBDRO CC(C)CC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCC1 ZINC000478426375 243075632 /nfs/dbraw/zinc/07/56/32/243075632.db2.gz KBKZMXDFEGDSJC-UHFFFAOYSA-N 1 0 294.399 3.082 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000481190439 243182783 /nfs/dbraw/zinc/18/27/83/243182783.db2.gz OQLJJLVJXNRRJW-RDBSUJKOSA-N 1 0 292.379 3.388 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CCC(C)C)cc1[N+](=O)[O-] ZINC000482816767 243245060 /nfs/dbraw/zinc/24/50/60/243245060.db2.gz CPQFZVBYMXKNEO-ZFWWWQNUSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615486 203040700 /nfs/dbraw/zinc/04/07/00/203040700.db2.gz UETZZPKMWQNBCW-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020097013 368801889 /nfs/dbraw/zinc/80/18/89/368801889.db2.gz XXVBKUVZTKHFFC-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000020089287 368799568 /nfs/dbraw/zinc/79/95/68/368799568.db2.gz IQBSGAQMOKFCRC-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000035014092 368989512 /nfs/dbraw/zinc/98/95/12/368989512.db2.gz NHFIGDHGPUSSKC-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO CC[C@@H](NCCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010446 369049591 /nfs/dbraw/zinc/04/95/91/369049591.db2.gz DKDGEZVNJSRDGZ-MRXNPFEDSA-N 1 0 293.411 3.367 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000037010371 369050473 /nfs/dbraw/zinc/05/04/73/369050473.db2.gz KBUIAAATLDPUQL-CQSZACIVSA-N 1 0 260.293 3.429 20 5 CGBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492777716 244023998 /nfs/dbraw/zinc/02/39/98/244023998.db2.gz ZACJVPVWJMQURZ-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000330734048 203167649 /nfs/dbraw/zinc/16/76/49/203167649.db2.gz UJNNCZOBFMMNJL-ZFWWWQNUSA-N 1 0 292.379 3.465 20 5 CGBDRO CC(C)c1ccc(C[N@@H+](C[C@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144627 370112825 /nfs/dbraw/zinc/11/28/25/370112825.db2.gz QXELMLWGRLKQER-ZDUSSCGKSA-N 1 0 294.395 3.309 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000097150694 370231674 /nfs/dbraw/zinc/23/16/74/370231674.db2.gz OSMGUXVJCCIASS-UHFFFAOYSA-N 1 0 297.358 3.065 20 5 CGBDRO Cc1cnc(NCC[NH2+]C2CCCCCC2)c([N+](=O)[O-])c1 ZINC000133550025 371261104 /nfs/dbraw/zinc/26/11/04/371261104.db2.gz PDTBGCHNIMJNME-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO CC[C@@]1(C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000135678914 371443088 /nfs/dbraw/zinc/44/30/88/371443088.db2.gz XTAIBBUFLSGCCR-AWEZNQCLSA-N 1 0 298.770 3.249 20 5 CGBDRO CCC(CC)[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000344029955 217017177 /nfs/dbraw/zinc/01/71/77/217017177.db2.gz BFDQNSBBOWSOBW-UHFFFAOYSA-N 1 0 290.367 3.482 20 5 CGBDRO Cc1c([C@H](C)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000152037805 371667977 /nfs/dbraw/zinc/66/79/77/371667977.db2.gz JCZOHDOSTXDPGN-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)COC(C)C)cc1[N+](=O)[O-] ZINC000337348905 214023529 /nfs/dbraw/zinc/02/35/29/214023529.db2.gz ZPJXDRJWVALLCX-OLZOCXBDSA-N 1 0 280.368 3.367 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCC2(CC2)CC1 ZINC000344087260 217044172 /nfs/dbraw/zinc/04/41/72/217044172.db2.gz HYIRBQUUIICCQL-UHFFFAOYSA-N 1 0 274.364 3.450 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000160104273 372214765 /nfs/dbraw/zinc/21/47/65/372214765.db2.gz WVOKDLVHKYLNHU-OCCSQVGLSA-N 1 0 293.411 3.284 20 5 CGBDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000293231490 372332017 /nfs/dbraw/zinc/33/20/17/372332017.db2.gz AVYDQZSJQIBFMV-VIFPVBQESA-N 1 0 270.279 3.291 20 5 CGBDRO CC(C)[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361058 372364139 /nfs/dbraw/zinc/36/41/39/372364139.db2.gz ZYLMLZFPSNERAX-BBRMVZONSA-N 1 0 292.379 3.403 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344449912 217194984 /nfs/dbraw/zinc/19/49/84/217194984.db2.gz QAAMBMPEQVPJHH-IYNGYCSASA-N 1 0 260.337 3.244 20 5 CGBDRO COc1ccc(C[NH2+]Cc2csc(C)c2)cc1[N+](=O)[O-] ZINC000294271164 372634127 /nfs/dbraw/zinc/63/41/27/372634127.db2.gz RTIAZONXSBYLLA-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CSC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168130435 372606226 /nfs/dbraw/zinc/60/62/26/372606226.db2.gz VGPULVIBOZWINT-QMMMGPOBSA-N 1 0 274.773 3.089 20 5 CGBDRO CC[C@@H](CSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168138838 372606320 /nfs/dbraw/zinc/60/63/20/372606320.db2.gz BUZFVDMFPWWLPE-JTQLQIEISA-N 1 0 288.800 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000237980180 189896069 /nfs/dbraw/zinc/89/60/69/189896069.db2.gz BDPGSUZWJJODOV-KRWDZBQOSA-N 1 0 296.370 3.284 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295623396 372852151 /nfs/dbraw/zinc/85/21/51/372852151.db2.gz ZKCDLTBLEVMZRY-WFASDCNBSA-N 1 0 292.379 3.139 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000438329523 372925680 /nfs/dbraw/zinc/92/56/80/372925680.db2.gz WFQWPMAWEJHKKJ-AWEZNQCLSA-N 1 0 292.379 3.471 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000441441149 373013724 /nfs/dbraw/zinc/01/37/24/373013724.db2.gz AUYCOONTPSTTSQ-CZUORRHYSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296520235 373160834 /nfs/dbraw/zinc/16/08/34/373160834.db2.gz PWVBKFAAVLHOHN-VXGBXAGGSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296636530 373201910 /nfs/dbraw/zinc/20/19/10/373201910.db2.gz XSMMRKNYDDAFIE-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000446894565 373378882 /nfs/dbraw/zinc/37/88/82/373378882.db2.gz NZZGIXYFFRPWBP-INIZCTEOSA-N 1 0 292.379 3.030 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000447073231 373401715 /nfs/dbraw/zinc/40/17/15/373401715.db2.gz SNBYMYDLCHPCSN-KGLIPLIRSA-N 1 0 291.395 3.212 20 5 CGBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+](C)C ZINC000301072600 373648314 /nfs/dbraw/zinc/64/83/14/373648314.db2.gz HLZYMCOUBPXLKW-LBPRGKRZSA-N 1 0 283.347 3.122 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000301102134 373660515 /nfs/dbraw/zinc/66/05/15/373660515.db2.gz OITQFHONBSGQTM-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301133212 373672643 /nfs/dbraw/zinc/67/26/43/373672643.db2.gz VDTWADIREFRPJQ-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO CN(CC1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301217200 373693943 /nfs/dbraw/zinc/69/39/43/373693943.db2.gz ZSCIDGCDELAJQV-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301373885 373763788 /nfs/dbraw/zinc/76/37/88/373763788.db2.gz UXBBKXCYOCSIBK-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cc1 ZINC000449478863 373767378 /nfs/dbraw/zinc/76/73/78/373767378.db2.gz SPRCESDPMANTGJ-AWEZNQCLSA-N 1 0 290.363 3.034 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000305150182 374078098 /nfs/dbraw/zinc/07/80/98/374078098.db2.gz OKRCYBPQBSVDND-IHRRRGAJSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000304818285 374058801 /nfs/dbraw/zinc/05/88/01/374058801.db2.gz AVMMDVGIFFZLQC-UHFFFAOYSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181355944 374112522 /nfs/dbraw/zinc/11/25/22/374112522.db2.gz GUIRBQDEPJFTPF-ZDUSSCGKSA-N 1 0 286.331 3.324 20 5 CGBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310197207 374209869 /nfs/dbraw/zinc/20/98/69/374209869.db2.gz RIKAKMDWEBWGSJ-QPUJVOFHSA-N 1 0 254.717 3.136 20 5 CGBDRO CC(C)C[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311275327 374236746 /nfs/dbraw/zinc/23/67/46/374236746.db2.gz FQNGVDWIAHXODK-ZDUSSCGKSA-N 1 0 264.369 3.409 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCSCC1 ZINC000182659074 374305269 /nfs/dbraw/zinc/30/52/69/374305269.db2.gz NIKMXFAIVWYLBF-LLVKDONJSA-N 1 0 266.366 3.013 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+](C(C)C)C(C)C ZINC000183067294 374368378 /nfs/dbraw/zinc/36/83/78/374368378.db2.gz RIMCXNWFKGGNRM-UHFFFAOYSA-N 1 0 266.341 3.222 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000331179501 374512458 /nfs/dbraw/zinc/51/24/58/374512458.db2.gz QOQYFMYVRNMVHV-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H](F)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331308185 374520680 /nfs/dbraw/zinc/52/06/80/374520680.db2.gz SSAWTDODVFENGA-LBPRGKRZSA-N 1 0 296.342 3.186 20 5 CGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCCC1 ZINC000332222023 374560174 /nfs/dbraw/zinc/56/01/74/374560174.db2.gz YCJVMCCPIZUTFK-UHFFFAOYSA-N 1 0 288.351 3.236 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185190733 374605540 /nfs/dbraw/zinc/60/55/40/374605540.db2.gz ACVYJGNWYLQZPP-QWHCGFSZSA-N 1 0 298.408 3.340 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185584830 374693079 /nfs/dbraw/zinc/69/30/79/374693079.db2.gz PWSMZBBJQQOREB-WFASDCNBSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000187651977 375063642 /nfs/dbraw/zinc/06/36/42/375063642.db2.gz CNCFNTXYSLZXJK-FZMZJTMJSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000187988795 375133937 /nfs/dbraw/zinc/13/39/37/375133937.db2.gz LJDCJOHOMAVBLP-GZBFAFLISA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000188572480 375234530 /nfs/dbraw/zinc/23/45/30/375234530.db2.gz QNGKSCYJMDVYTL-GJZGRUSLSA-N 1 0 276.336 3.328 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492112323 375422103 /nfs/dbraw/zinc/42/21/03/375422103.db2.gz WOMPXIRYPMAVOC-OLZOCXBDSA-N 1 0 292.379 3.235 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191651824 375647724 /nfs/dbraw/zinc/64/77/24/375647724.db2.gz CGWQKJBGFDMTDB-WDMOLILDSA-N 1 0 266.341 3.059 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000519084883 375832700 /nfs/dbraw/zinc/83/27/00/375832700.db2.gz QBQGMWCZYNIIMC-NEPJUHHUSA-N 1 0 280.368 3.103 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000193255088 375847065 /nfs/dbraw/zinc/84/70/65/375847065.db2.gz KVMXCMDRTDSFJH-MRXNPFEDSA-N 1 0 298.342 3.381 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810827 375963278 /nfs/dbraw/zinc/96/32/78/375963278.db2.gz JPTVQCSEHZTFCF-CMPLNLGQSA-N 1 0 266.316 3.497 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cccc3[nH]ccc32)c1 ZINC000337278737 376186891 /nfs/dbraw/zinc/18/68/91/376186891.db2.gz GHYBYXNOSGEEOE-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000222516173 376236869 /nfs/dbraw/zinc/23/68/69/376236869.db2.gz CYBZGEAWLQQQCH-YGRLFVJLSA-N 1 0 274.324 3.120 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000540219237 376368287 /nfs/dbraw/zinc/36/82/87/376368287.db2.gz AULAVKJWUHUBKP-YUELXQCFSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000227272143 376385358 /nfs/dbraw/zinc/38/53/58/376385358.db2.gz LZTGCOQWBPHUAB-STQMWFEESA-N 1 0 278.352 3.205 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142924 376485785 /nfs/dbraw/zinc/48/57/85/376485785.db2.gz WMHLIHWWJHKCRR-SNVBAGLBSA-N 1 0 268.744 3.384 20 5 CGBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230666411 376528070 /nfs/dbraw/zinc/52/80/70/376528070.db2.gz KQXDMGKOMXOEGA-MWLCHTKSSA-N 1 0 254.355 3.182 20 5 CGBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC000230693150 376536472 /nfs/dbraw/zinc/53/64/72/376536472.db2.gz GJNQXCYBOMJEIW-MRVPVSSYSA-N 1 0 283.378 3.006 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2cncs2)cccc1[N+](=O)[O-] ZINC000231884361 376574793 /nfs/dbraw/zinc/57/47/93/376574793.db2.gz HJFDMZHVJPRQAY-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000231884303 376574885 /nfs/dbraw/zinc/57/48/85/376574885.db2.gz NEGOCLUIIJHTEG-CABCVRRESA-N 1 0 292.379 3.196 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000234842565 376622544 /nfs/dbraw/zinc/62/25/44/376622544.db2.gz LJDOAAHNNWSCDE-CHWSQXEVSA-N 1 0 298.770 3.151 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1C[C@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000562603571 377336933 /nfs/dbraw/zinc/33/69/33/377336933.db2.gz RPSYFWPPNXCQMS-RRFJBIMHSA-N 1 0 278.352 3.203 20 5 CGBDRO CCCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000248137315 377272571 /nfs/dbraw/zinc/27/25/71/377272571.db2.gz NQBQEOHCAMFVRN-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO C[NH+](C)CCc1ccccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000562933301 377375433 /nfs/dbraw/zinc/37/54/33/377375433.db2.gz FKMBFPGYTHWILX-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000563157447 377410223 /nfs/dbraw/zinc/41/02/23/377410223.db2.gz FSBNOOSIAPEOLB-INIZCTEOSA-N 1 0 297.358 3.288 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000249122759 377468229 /nfs/dbraw/zinc/46/82/29/377468229.db2.gz SYUUNENWWGVSQT-MBNYWOFBSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C(C)C ZINC000357660817 249108572 /nfs/dbraw/zinc/10/85/72/249108572.db2.gz USFAXUZGRZGFKV-AWEZNQCLSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CC(C)(C)O ZINC000519084886 249292394 /nfs/dbraw/zinc/29/23/94/249292394.db2.gz QBQGMWCZYNIIMC-VXGBXAGGSA-N 1 0 280.368 3.103 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCC12CC2 ZINC000574531678 377678156 /nfs/dbraw/zinc/67/81/56/377678156.db2.gz FJRRBQABAQYOAR-AWEZNQCLSA-N 1 0 260.337 3.060 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000255048330 377727540 /nfs/dbraw/zinc/72/75/40/377727540.db2.gz LKIPNHBSYHKLCC-VURMDHGXSA-N 1 0 260.337 3.482 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000255368181 377753982 /nfs/dbraw/zinc/75/39/82/377753982.db2.gz TWVOKILZQBRPRT-DAXSKMNVSA-N 1 0 272.304 3.333 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cs1 ZINC000579021710 378123404 /nfs/dbraw/zinc/12/34/04/378123404.db2.gz GRBSJGFZJJDGTO-CYBMUJFWSA-N 1 0 289.360 3.041 20 5 CGBDRO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270768949 378397503 /nfs/dbraw/zinc/39/75/03/378397503.db2.gz LCJGRHOXHLUBMZ-QWHCGFSZSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000272590919 378671405 /nfs/dbraw/zinc/67/14/05/378671405.db2.gz HUSWXBXPPVFYQT-VIFPVBQESA-N 1 0 268.744 3.179 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000348274464 378878729 /nfs/dbraw/zinc/87/87/29/378878729.db2.gz BQKYEHKTLHVVQS-KGLIPLIRSA-N 1 0 260.337 3.181 20 5 CGBDRO COC1CC[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000347363496 218206978 /nfs/dbraw/zinc/20/69/78/218206978.db2.gz QXJYJPFVNMLNEF-JLHYYAGUSA-N 1 0 290.363 3.109 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000277223768 379104005 /nfs/dbraw/zinc/10/40/05/379104005.db2.gz LPBZVFCVXRXLKX-HIFRSBDPSA-N 1 0 294.420 3.257 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000266433903 190257314 /nfs/dbraw/zinc/25/73/14/190257314.db2.gz DVEGMGMEKZOQJE-OBCWZRDOSA-N 1 0 290.363 3.059 20 5 CGBDRO CO[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000377242780 379653050 /nfs/dbraw/zinc/65/30/50/379653050.db2.gz SNKXXGOQYVLBLY-LBPRGKRZSA-N 1 0 298.770 3.249 20 5 CGBDRO CCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000267382058 190325496 /nfs/dbraw/zinc/32/54/96/190325496.db2.gz AWPVLAHACIAVDI-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO COc1cc(C[NH+](CC2CC2)CC2CC2)ccc1[N+](=O)[O-] ZINC000352525416 379844825 /nfs/dbraw/zinc/84/48/25/379844825.db2.gz GKBKEMGQDMEBJO-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352611027 379876943 /nfs/dbraw/zinc/87/69/43/379876943.db2.gz BFXJTGMBTXWMHR-AWEZNQCLSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@H](c1ccccn1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282486917 379930384 /nfs/dbraw/zinc/93/03/84/379930384.db2.gz PKNTWPFXHPMUGO-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000282702911 379973292 /nfs/dbraw/zinc/97/32/92/379973292.db2.gz KYSOTEZFGCTHON-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000352771028 379950629 /nfs/dbraw/zinc/95/06/29/379950629.db2.gz VTNZHPNAUPVOPI-UHFFFAOYSA-N 1 0 254.305 3.353 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(C(F)(F)F)CCC1 ZINC000353065755 380100898 /nfs/dbraw/zinc/10/08/98/380100898.db2.gz SVYYFKGVVNBRAO-UHFFFAOYSA-N 1 0 288.269 3.417 20 5 CGBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353118376 380124294 /nfs/dbraw/zinc/12/42/94/380124294.db2.gz LMWYJOBRWUIQMW-KWQFWETISA-N 1 0 286.278 3.084 20 5 CGBDRO COCC[C@@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000414477920 380254981 /nfs/dbraw/zinc/25/49/81/380254981.db2.gz DWXDCBZNJIMFOG-CKXDQPNJSA-N 1 0 292.379 3.260 20 5 CGBDRO COCC[C@@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000414477923 380255070 /nfs/dbraw/zinc/25/50/70/380255070.db2.gz DWXDCBZNJIMFOG-OZYJXZHSSA-N 1 0 292.379 3.260 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000414506281 380281203 /nfs/dbraw/zinc/28/12/03/380281203.db2.gz WJVKNRHBHNDZAX-MLGOLLRUSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccncc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000354390329 380422000 /nfs/dbraw/zinc/42/20/00/380422000.db2.gz BLIXVFBSMWKWCK-UHFFFAOYSA-N 1 0 299.374 3.411 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(C)CC1 ZINC000355123247 380585598 /nfs/dbraw/zinc/58/55/98/380585598.db2.gz NCJRDCSUPWLVAS-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000355132227 380591677 /nfs/dbraw/zinc/59/16/77/380591677.db2.gz JDVFKLLUDRKSOM-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417327584 380593136 /nfs/dbraw/zinc/59/31/36/380593136.db2.gz BRQAASXSZSRUFH-DOMZBBRYSA-N 1 0 280.368 3.307 20 5 CGBDRO CC(C)OCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417346024 380601153 /nfs/dbraw/zinc/60/11/53/380601153.db2.gz SYHMCCDSIHFAEZ-INIZCTEOSA-N 1 0 292.379 3.377 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](CO)CC2CCCCC2)cc1 ZINC000418129110 380707089 /nfs/dbraw/zinc/70/70/89/380707089.db2.gz RPFPUGIDWDLASP-HNNXBMFYSA-N 1 0 292.379 3.016 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000348274463 218542202 /nfs/dbraw/zinc/54/22/02/218542202.db2.gz BQKYEHKTLHVVQS-KBPBESRZSA-N 1 0 260.337 3.181 20 5 CGBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1F ZINC000360246619 381495732 /nfs/dbraw/zinc/49/57/32/381495732.db2.gz WGSIJCIPHMEAKZ-UHFFFAOYSA-N 1 0 272.345 3.168 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000360597265 381587679 /nfs/dbraw/zinc/58/76/79/381587679.db2.gz LJWTWCHGCPLDPX-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1cc(C)cc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348896345 218771397 /nfs/dbraw/zinc/77/13/97/218771397.db2.gz TZZBXWARMIJCMQ-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cs1 ZINC000335196538 207897212 /nfs/dbraw/zinc/89/72/12/207897212.db2.gz SBWVZNMEMUURPQ-WDEREUQCSA-N 1 0 252.339 3.031 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000366266337 533026169 /nfs/dbraw/zinc/02/61/69/533026169.db2.gz HUEILHAGFJMRAR-ZDUSSCGKSA-N 1 0 284.381 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCCN3)cc1 ZINC000414975474 285114964 /nfs/dbraw/zinc/11/49/64/285114964.db2.gz LTIUAJMGCWQWBT-UHFFFAOYSA-N 1 0 297.358 3.243 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(F)(F)CC2)c(F)c1 ZINC000350289007 219005245 /nfs/dbraw/zinc/00/52/45/219005245.db2.gz QBKXLVVAXHNIMZ-UHFFFAOYSA-N 1 0 288.269 3.401 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000492299210 285154237 /nfs/dbraw/zinc/15/42/37/285154237.db2.gz ZCMIJRVOUGCOJB-LLVKDONJSA-N 1 0 280.755 3.480 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000366272589 533370031 /nfs/dbraw/zinc/37/00/31/533370031.db2.gz QTTHHWGFWYYCBB-MRXNPFEDSA-N 1 0 292.379 3.294 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000054081036 392088508 /nfs/dbraw/zinc/08/85/08/392088508.db2.gz LOMAELSSZOYAPJ-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@@H]1CCCOC1 ZINC000107064452 392314841 /nfs/dbraw/zinc/31/48/41/392314841.db2.gz DANANHDJTIDHRJ-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000367079547 392469031 /nfs/dbraw/zinc/46/90/31/392469031.db2.gz GZYYETYDPIPQRD-WFASDCNBSA-N 1 0 290.363 3.205 20 5 CGBDRO CO[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154039 392554377 /nfs/dbraw/zinc/55/43/77/392554377.db2.gz UEFUVBQHKVDWAZ-DOMZBBRYSA-N 1 0 292.379 3.403 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCCCCC1 ZINC000505461584 392667339 /nfs/dbraw/zinc/66/73/39/392667339.db2.gz LURZMHINCYCGLN-UHFFFAOYSA-N 1 0 278.352 3.370 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505595529 392676820 /nfs/dbraw/zinc/67/68/20/392676820.db2.gz DVFLXWMDTBCJCJ-NSHDSACASA-N 1 0 266.316 3.498 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467497 392694472 /nfs/dbraw/zinc/69/44/72/392694472.db2.gz KBKILMDFQBTVHA-QWRGUYRKSA-N 1 0 288.351 3.234 20 5 CGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374665289 392688009 /nfs/dbraw/zinc/68/80/09/392688009.db2.gz UVMZVMHKGQXACQ-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H]2C)cc1[N+](=O)[O-] ZINC000504899435 392640483 /nfs/dbraw/zinc/64/04/83/392640483.db2.gz GORRLXADJKGZRS-NTZNESFSSA-N 1 0 278.352 3.300 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000511520680 392838036 /nfs/dbraw/zinc/83/80/36/392838036.db2.gz FYXTYUFQQDTCRK-PODYEWJSSA-N 1 0 260.337 3.482 20 5 CGBDRO C[C@H]1CCC[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000195667310 392973285 /nfs/dbraw/zinc/97/32/85/392973285.db2.gz YVQKWMLEBKBUJM-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923474 393073440 /nfs/dbraw/zinc/07/34/40/393073440.db2.gz KNOSFDRECNQPJH-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC1 ZINC000468627336 393154916 /nfs/dbraw/zinc/15/49/16/393154916.db2.gz DZIIBQBHLYTNLG-XYOKQWHBSA-N 1 0 260.337 3.388 20 5 CGBDRO COC(C)(C)CN(C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000547969498 393162587 /nfs/dbraw/zinc/16/25/87/393162587.db2.gz JECCSMBXUNAXQA-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000470174741 393228759 /nfs/dbraw/zinc/22/87/59/393228759.db2.gz NAQYANWMNPWERK-XXYUJHKVSA-N 1 0 290.363 3.109 20 5 CGBDRO CCOC[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000267104116 393186977 /nfs/dbraw/zinc/18/69/77/393186977.db2.gz VCEKVKCCEQCJAM-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975110 393330240 /nfs/dbraw/zinc/33/02/40/393330240.db2.gz CLKWIOOXHNXAQA-RWSFTLGLSA-N 1 0 292.379 3.330 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206723 393539986 /nfs/dbraw/zinc/53/99/86/393539986.db2.gz PCSSYLLESLKREE-GHMZBOCLSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577287 393486823 /nfs/dbraw/zinc/48/68/23/393486823.db2.gz FFAKXPSDSPQHCP-ONGXEEELSA-N 1 0 254.355 3.277 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000429581159 393488178 /nfs/dbraw/zinc/48/81/78/393488178.db2.gz YEBPVZYTFHPFOJ-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000430224863 393543271 /nfs/dbraw/zinc/54/32/71/393543271.db2.gz WROSSDZHBSXCEY-OAHLLOKOSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1ccc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000420630237 393510584 /nfs/dbraw/zinc/51/05/84/393510584.db2.gz SOLJMEAXYBACOB-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447584766 393865924 /nfs/dbraw/zinc/86/59/24/393865924.db2.gz HGJRJHOIDPKZNP-OLZOCXBDSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000449576069 393910466 /nfs/dbraw/zinc/91/04/66/393910466.db2.gz ZOENGGXRMPMSPC-LJXYTEIVSA-N 1 0 298.346 3.100 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453169494 394195306 /nfs/dbraw/zinc/19/53/06/394195306.db2.gz UGAXMBZKKAFGQN-KCPJHIHWSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781544 397676904 /nfs/dbraw/zinc/67/69/04/397676904.db2.gz RXEZGYVWBFNWAK-PWSUYJOCSA-N 1 0 297.786 3.025 20 5 CGBDRO C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423404220 287039409 /nfs/dbraw/zinc/03/94/09/287039409.db2.gz ZNDVGQDQRPULPD-IUODEOHRSA-N 1 0 291.395 3.024 20 5 CGBDRO CCC[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000081776635 287076231 /nfs/dbraw/zinc/07/62/31/287076231.db2.gz SWIFWOWGFFSXEI-LLVKDONJSA-N 1 0 268.382 3.465 20 5 CGBDRO CC(C)[C@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000070447982 165062376 /nfs/dbraw/zinc/06/23/76/165062376.db2.gz XHIXIYQMEKQGNA-SNVBAGLBSA-N 1 0 291.273 3.009 20 5 CGBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000077358653 165122126 /nfs/dbraw/zinc/12/21/26/165122126.db2.gz IYEXOIUEKJAMRE-UHFFFAOYSA-N 1 0 278.352 3.237 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000091098048 165257868 /nfs/dbraw/zinc/25/78/68/165257868.db2.gz BAASYNQGCHVKSB-GFCCVEGCSA-N 1 0 268.382 3.168 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000091097632 165257928 /nfs/dbraw/zinc/25/79/28/165257928.db2.gz SLEJKYWEEFRHGA-CYBMUJFWSA-N 1 0 282.409 3.477 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174150236 287144514 /nfs/dbraw/zinc/14/45/14/287144514.db2.gz VYRZDCUCPRAAMQ-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000121982099 287205197 /nfs/dbraw/zinc/20/51/97/287205197.db2.gz KKCBAKPODFSQPQ-GWCFXTLKSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000020089862 170989739 /nfs/dbraw/zinc/98/97/39/170989739.db2.gz NYVOBYUIUXEHEC-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020123939 171005901 /nfs/dbraw/zinc/00/59/01/171005901.db2.gz IYRYVFLHNBWFTO-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(CCO)CCCC2)c1 ZINC000285495164 196304135 /nfs/dbraw/zinc/30/41/35/196304135.db2.gz MHCJUIDIVUNAPU-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO CO[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000418096581 228041103 /nfs/dbraw/zinc/04/11/03/228041103.db2.gz KFJLINXGWWAXRJ-DDJMYBDESA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000189225992 287566522 /nfs/dbraw/zinc/56/65/22/287566522.db2.gz AKYWPWLFBMGHTF-SECBINFHSA-N 1 0 292.257 3.090 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CCC1CC1 ZINC000186319761 262314419 /nfs/dbraw/zinc/31/44/19/262314419.db2.gz YTUGLKQUCHBXBZ-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000041677523 270031135 /nfs/dbraw/zinc/03/11/35/270031135.db2.gz HGJPXUBAKDXBCK-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103466596 270046053 /nfs/dbraw/zinc/04/60/53/270046053.db2.gz KEWWHTZJLUWTHI-SNVBAGLBSA-N 1 0 278.327 3.497 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000187651988 270068994 /nfs/dbraw/zinc/06/89/94/270068994.db2.gz CNCFNTXYSLZXJK-RISCZKNCSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000230655863 270089090 /nfs/dbraw/zinc/08/90/90/270089090.db2.gz ZGKRDIYZALEAMF-SMDDNHRTSA-N 1 0 262.353 3.429 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@H]1C ZINC000322056503 270093374 /nfs/dbraw/zinc/09/33/74/270093374.db2.gz QHLSZPBWBAUERR-UGFHNGPFSA-N 1 0 262.353 3.162 20 5 CGBDRO COC(C)(C)C[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000527054843 270124754 /nfs/dbraw/zinc/12/47/54/270124754.db2.gz JAPNOWBASPMLLJ-LCYFTJDESA-N 1 0 292.379 3.355 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000530662447 270201648 /nfs/dbraw/zinc/20/16/48/270201648.db2.gz HDNXHDHRUOGMDL-LBPRGKRZSA-N 1 0 250.342 3.463 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc(N)cc1[N+](=O)[O-] ZINC000287119637 273635984 /nfs/dbraw/zinc/63/59/84/273635984.db2.gz WIQPRALEFALVMC-GFCCVEGCSA-N 1 0 294.399 3.099 20 5 CGBDRO COCC[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174572 274038863 /nfs/dbraw/zinc/03/88/63/274038863.db2.gz NIWMUSSZCGUIOK-ABAIWWIYSA-N 1 0 292.379 3.332 20 5 CGBDRO C[C@@H](C[C@H]1CCCO1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156814418 274229734 /nfs/dbraw/zinc/22/97/34/274229734.db2.gz AKDYKWFEVCDWPF-SLEUVZQESA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311404832 274284607 /nfs/dbraw/zinc/28/46/07/274284607.db2.gz GWGVYADZKMHDLN-LLVKDONJSA-N 1 0 266.316 3.498 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccc(O)c1)CCC2 ZINC000192799770 275038461 /nfs/dbraw/zinc/03/84/61/275038461.db2.gz FOGBESQZBOSAFL-QGZVFWFLSA-N 1 0 298.342 3.468 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)cc1[N+](=O)[O-] ZINC000361052046 276053283 /nfs/dbraw/zinc/05/32/83/276053283.db2.gz MXCLHWFVLAYMQC-HNNXBMFYSA-N 1 0 292.379 3.063 20 5 CGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775811 276364513 /nfs/dbraw/zinc/36/45/13/276364513.db2.gz PDFRGWMLHXYCFD-GJZGRUSLSA-N 1 0 292.379 3.230 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000513661974 277898155 /nfs/dbraw/zinc/89/81/55/277898155.db2.gz RRFUORBNVZUZFC-CHWSQXEVSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268925241 278385442 /nfs/dbraw/zinc/38/54/42/278385442.db2.gz ALCZEMFNJGBYAY-OCCSQVGLSA-N 1 0 290.363 3.347 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205264 288072837 /nfs/dbraw/zinc/07/28/37/288072837.db2.gz NTUGZXYYKARPTR-DGCLKSJQSA-N 1 0 282.409 3.257 20 5 CGBDRO CN(Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC(C)(C)C1 ZINC000459745405 288100743 /nfs/dbraw/zinc/10/07/43/288100743.db2.gz FIXZDPUHBYHDAM-UHFFFAOYSA-N 1 0 284.306 3.493 20 5 CGBDRO C[C@H]([NH2+]CCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000294171063 279465562 /nfs/dbraw/zinc/46/55/62/279465562.db2.gz JHHYHUWIWBCGTF-VIFPVBQESA-N 1 0 258.268 3.291 20 5 CGBDRO Cc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000020134394 281218508 /nfs/dbraw/zinc/21/85/08/281218508.db2.gz VWXBFSOTWJPXMP-UHFFFAOYSA-N 1 0 256.305 3.193 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000551304686 289109738 /nfs/dbraw/zinc/10/97/38/289109738.db2.gz MTCYNTQJDPRQNR-QLFBSQMISA-N 1 0 292.354 3.396 20 5 CGBDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000552062176 289157559 /nfs/dbraw/zinc/15/75/59/289157559.db2.gz OVFUQPHWDKKYRX-HUUCEWRRSA-N 1 0 262.353 3.162 20 5 CGBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000552062174 289157560 /nfs/dbraw/zinc/15/75/60/289157560.db2.gz OVFUQPHWDKKYRX-CABCVRRESA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1sccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000555547888 289349214 /nfs/dbraw/zinc/34/92/14/289349214.db2.gz SEPLWAKKIAJQEO-UHFFFAOYSA-N 1 0 292.360 3.133 20 5 CGBDRO Cc1ccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])o1 ZINC000558940314 289528004 /nfs/dbraw/zinc/52/80/04/289528004.db2.gz HURZELFTEDCFAT-GQCTYLIASA-N 1 0 286.331 3.342 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(OC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000564926610 322050045 /nfs/dbraw/zinc/05/00/45/322050045.db2.gz LCNGZTLXAMWXFP-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO COC1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000566789440 322137971 /nfs/dbraw/zinc/13/79/71/322137971.db2.gz FSQAFJWSZUYUAB-UHFFFAOYSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000568840751 322224515 /nfs/dbraw/zinc/22/45/15/322224515.db2.gz LSUOAQIJAUYYPV-FATJJJSSSA-N 1 0 260.337 3.434 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3ccncc3)C2)cc1 ZINC000569668804 322253440 /nfs/dbraw/zinc/25/34/40/322253440.db2.gz CLUZTIPTZXCKRK-INIZCTEOSA-N 1 0 297.358 3.022 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000570163215 322266579 /nfs/dbraw/zinc/26/65/79/322266579.db2.gz DHVWIXHSZSZEDI-TZMCWYRMSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1cccnc1C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000572471149 322338765 /nfs/dbraw/zinc/33/87/65/322338765.db2.gz HFOZEHAPWXPHAV-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000573908518 322412977 /nfs/dbraw/zinc/41/29/77/322412977.db2.gz UZRXQUNVUNNYPZ-ZLKJLUDKSA-N 1 0 260.337 3.434 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000579582030 335811893 /nfs/dbraw/zinc/81/18/93/335811893.db2.gz HIFDUQTZXKJRGT-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000581558821 336102795 /nfs/dbraw/zinc/10/27/95/336102795.db2.gz BSQYKFJNRQGIBB-MRXNPFEDSA-N 1 0 297.358 3.263 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261848 336123103 /nfs/dbraw/zinc/12/31/03/336123103.db2.gz LNVMFJQSPINPQT-YGRLFVJLSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC=CCC1 ZINC000449160674 534254257 /nfs/dbraw/zinc/25/42/57/534254257.db2.gz MKGOHLCKEFGMJP-GXTWGEPZSA-N 1 0 260.337 3.224 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000087710891 520370118 /nfs/dbraw/zinc/37/01/18/520370118.db2.gz DXOAYXIKLGKLJA-HUUCEWRRSA-N 1 0 290.363 3.032 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087014740 521657032 /nfs/dbraw/zinc/65/70/32/521657032.db2.gz VGHOQTZUPFJUCB-GFCCVEGCSA-N 1 0 280.368 3.105 20 5 CGBDRO CC[C@@H]([NH2+][C@H](COC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000086695630 522945246 /nfs/dbraw/zinc/94/52/46/522945246.db2.gz UHDRVTYLXISVOY-HUUCEWRRSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@H](CC[NH+](C)C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050352211 524170951 /nfs/dbraw/zinc/17/09/51/524170951.db2.gz UOFPDVLQAXKTAG-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2C[C@H]2C1 ZINC000424210956 527501816 /nfs/dbraw/zinc/50/18/16/527501816.db2.gz WOWOZPRIHICFAY-GLXJMAINSA-N 1 0 272.348 3.386 20 5 CGBDRO CC1(CC[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000359007522 527926878 /nfs/dbraw/zinc/92/68/78/527926878.db2.gz ULJUYTCPWNDOPX-CHWSQXEVSA-N 1 0 292.383 3.055 20 5 CGBDRO CCC(CC)(CC)[NH2+]CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000174801643 528636516 /nfs/dbraw/zinc/63/65/16/528636516.db2.gz RIQHNWCNIOPDFL-UHFFFAOYSA-N 1 0 293.367 3.092 20 5 CGBDRO CC(C)[N@H+](CC[C@@H]1CCOC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000437583437 528913735 /nfs/dbraw/zinc/91/37/35/528913735.db2.gz WVNRRBFCPNSBRV-OAHLLOKOSA-N 1 0 292.379 3.232 20 5 CGBDRO CCC[C@@H](NC[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423264154 529010742 /nfs/dbraw/zinc/01/07/42/529010742.db2.gz BOVRCPBLDUCLOJ-LSDHHAIUSA-N 1 0 279.384 3.009 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178118530 529012147 /nfs/dbraw/zinc/01/21/47/529012147.db2.gz SERMIMYTMJNKQC-CVEARBPZSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[C@@H](N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423567091 529019649 /nfs/dbraw/zinc/01/96/49/529019649.db2.gz URLKRPTVRJMQGC-GDBMZVCRSA-N 1 0 291.395 3.168 20 5 CGBDRO CC(C)OC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000730570561 572364153 /nfs/dbraw/zinc/36/41/53/572364153.db2.gz MXFLKBLHUMGKBE-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000742427920 572581686 /nfs/dbraw/zinc/58/16/86/572581686.db2.gz UFUVWPBHDGDOFE-JTQLQIEISA-N 1 0 283.759 3.144 20 5 CGBDRO COc1cc(C[NH2+]C[C@@H](C)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000734509844 572661594 /nfs/dbraw/zinc/66/15/94/572661594.db2.gz MNILCDQCNOZWCJ-SNVBAGLBSA-N 1 0 296.367 3.081 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000750074374 573079310 /nfs/dbraw/zinc/07/93/10/573079310.db2.gz XKUYCUWSOZMDFX-SJORKVTESA-N 1 0 298.342 3.075 20 5 CGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCC[NH2+]C1 ZINC000050163631 618060983 /nfs/dbraw/zinc/06/09/83/618060983.db2.gz WZAUNQWBHXPYPU-UWVGGRQHSA-N 1 0 283.759 3.048 20 5 CGBDRO COc1c(O)ccc(C[N@H+](C)[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000891670719 618245008 /nfs/dbraw/zinc/24/50/08/618245008.db2.gz IPXHKEPHPSSJGU-JTQLQIEISA-N 1 0 296.367 3.175 20 5 CGBDRO CCC(C)(C)OCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000308687300 618342229 /nfs/dbraw/zinc/34/22/29/618342229.db2.gz BBPOTQQODCFSFS-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO Cc1cccc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000051669453 618624594 /nfs/dbraw/zinc/62/45/94/618624594.db2.gz IEGOURSRHXHILX-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000176924609 618760130 /nfs/dbraw/zinc/76/01/30/618760130.db2.gz UBRQWLZRNIYJAS-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCC2)c(C(F)F)c1 ZINC000111290950 618936146 /nfs/dbraw/zinc/93/61/46/618936146.db2.gz OQTWGMNNNBWQON-UHFFFAOYSA-N 1 0 285.294 3.040 20 5 CGBDRO C[C@H]1COC[C@@H](C)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000925514988 619008447 /nfs/dbraw/zinc/00/84/47/619008447.db2.gz RFLZGDLMYIXYBD-MSRIBSCDSA-N 1 0 298.770 3.009 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000925689977 619137730 /nfs/dbraw/zinc/13/77/30/619137730.db2.gz CILMOUABBYONOA-GHMZBOCLSA-N 1 0 287.319 3.107 20 5 CGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000178855032 619408731 /nfs/dbraw/zinc/40/87/31/619408731.db2.gz YFLYJSIUYYLGAP-MRXNPFEDSA-N 1 0 292.379 3.140 20 5 CGBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000896255828 619979096 /nfs/dbraw/zinc/97/90/96/619979096.db2.gz ABPMIQBZJWDXIZ-UHFFFAOYSA-N 1 0 295.408 3.475 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000897464341 620340005 /nfs/dbraw/zinc/34/00/05/620340005.db2.gz LMYDXIIZUWDCMY-DDHJSBNISA-N 1 0 274.364 3.477 20 5 CGBDRO CCSCC[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463929 620340445 /nfs/dbraw/zinc/34/04/45/620340445.db2.gz CRWPSBMHOABRSE-LLVKDONJSA-N 1 0 268.382 3.041 20 5 CGBDRO CC(C)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463989 620340574 /nfs/dbraw/zinc/34/05/74/620340574.db2.gz DTYURDXPGOLWOA-VXGBXAGGSA-N 1 0 250.342 3.332 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)c(F)c1 ZINC000897954615 620455025 /nfs/dbraw/zinc/45/50/25/620455025.db2.gz IDDKNTKZRSSOHJ-GAJTVXKRSA-N 1 0 264.300 3.012 20 5 CGBDRO CC[C@@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000322909346 620525720 /nfs/dbraw/zinc/52/57/20/620525720.db2.gz IJTYYNDPXQNWJE-ZDUSSCGKSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000927118197 620579372 /nfs/dbraw/zinc/57/93/72/620579372.db2.gz DUIIYFUJCRGEME-KYOSRNDESA-N 1 0 260.337 3.436 20 5 CGBDRO CC(C)[NH+](Cc1cc(-c2ccc([N+](=O)[O-])o2)no1)C(C)C ZINC000899258028 620631990 /nfs/dbraw/zinc/63/19/90/620631990.db2.gz AAKDOFBZVLUOPP-UHFFFAOYSA-N 1 0 293.323 3.462 20 5 CGBDRO C[C@@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372334 621277300 /nfs/dbraw/zinc/27/73/00/621277300.db2.gz XDNVEPRZUVJVIX-OLZOCXBDSA-N 1 0 291.395 3.024 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903186022 621612569 /nfs/dbraw/zinc/61/25/69/621612569.db2.gz NCDADHPWNRQQFN-JBLDHEPKSA-N 1 0 296.392 3.148 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903217165 621631749 /nfs/dbraw/zinc/63/17/49/621631749.db2.gz QRGBFECXTMAZJT-NWDGAFQWSA-N 1 0 276.336 3.220 20 5 CGBDRO Cc1cc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000903245217 621637287 /nfs/dbraw/zinc/63/72/87/621637287.db2.gz KKRMTKNQZKZUJJ-PWSUYJOCSA-N 1 0 289.335 3.346 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000903302507 621668355 /nfs/dbraw/zinc/66/83/55/621668355.db2.gz BTAXYKVGNCDBHL-KCXAZCMYSA-N 1 0 291.395 3.118 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000903288263 621672043 /nfs/dbraw/zinc/67/20/43/621672043.db2.gz VIJDPWSDFMBRSJ-UGFHNGPFSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccnc2C)cc1[N+](=O)[O-] ZINC000903416886 621735632 /nfs/dbraw/zinc/73/56/32/621735632.db2.gz XFJOYESHZGMRIM-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000111390843 622527828 /nfs/dbraw/zinc/52/78/28/622527828.db2.gz GVLGQWZWYGAWSU-HNNXBMFYSA-N 1 0 282.343 3.414 20 5 CGBDRO CSCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000069443234 624851233 /nfs/dbraw/zinc/85/12/33/624851233.db2.gz WVKYUIBUFAVUNI-UHFFFAOYSA-N 1 0 274.773 3.091 20 5 CGBDRO C[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000070306931 624997509 /nfs/dbraw/zinc/99/75/09/624997509.db2.gz ACGAZWRHMFXKEY-JTQLQIEISA-N 1 0 266.316 3.402 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CCC1 ZINC000756135768 625825545 /nfs/dbraw/zinc/82/55/45/625825545.db2.gz KJJRLHUSFHRUMZ-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537860 626011496 /nfs/dbraw/zinc/01/14/96/626011496.db2.gz LMLVPUOWUSVZNV-VXGBXAGGSA-N 1 0 266.341 3.059 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000922538991 626011514 /nfs/dbraw/zinc/01/15/14/626011514.db2.gz ZXRLALVXFXFHBS-XQQFMLRXSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1ccc(C[NH2+]C(C)(C)/C=C/Cl)cc1[N+](=O)[O-] ZINC000922649844 626026282 /nfs/dbraw/zinc/02/62/82/626026282.db2.gz ZMJBYHUMCBUUQE-VOTSOKGWSA-N 1 0 284.743 3.224 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cc1 ZINC000922805383 626046908 /nfs/dbraw/zinc/04/69/08/626046908.db2.gz MBINSPYPFBGGTP-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(F)F ZINC000842890695 626267968 /nfs/dbraw/zinc/26/79/68/626267968.db2.gz RQIGNCNELFPGMB-IUCAKERBSA-N 1 0 287.310 3.119 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(C2CC2)CC1 ZINC000754358571 626569326 /nfs/dbraw/zinc/56/93/26/626569326.db2.gz NHWRPMHFYWYKRV-UHFFFAOYSA-N 1 0 266.728 3.280 20 5 CGBDRO CCCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774113267 627946400 /nfs/dbraw/zinc/94/64/00/627946400.db2.gz VBFBLPJULMRWSC-UONOGXRCSA-N 1 0 294.399 3.445 20 5 CGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774833315 628036184 /nfs/dbraw/zinc/03/61/84/628036184.db2.gz RNLMHIVEDBJKOY-HZMBPMFUSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]([NH2+]CCCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000775575583 628110341 /nfs/dbraw/zinc/11/03/41/628110341.db2.gz DEXARVACGOCQIP-CYBMUJFWSA-N 1 0 280.368 3.188 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589700 628221895 /nfs/dbraw/zinc/22/18/95/628221895.db2.gz VMDPOHNCUUOFFG-CVEARBPZSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000783664824 628736510 /nfs/dbraw/zinc/73/65/10/628736510.db2.gz LKGMLNIIYFGGOU-JQWIXIFHSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788582676 629065916 /nfs/dbraw/zinc/06/59/16/629065916.db2.gz IEGNQUDRKDEZLQ-CYBMUJFWSA-N 1 0 299.374 3.379 20 5 CGBDRO CC(C)[C@@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788605529 629068668 /nfs/dbraw/zinc/06/86/68/629068668.db2.gz XTSYJZSNYAKWDX-WDEREUQCSA-N 1 0 265.357 3.120 20 5 CGBDRO CCCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788667147 629071458 /nfs/dbraw/zinc/07/14/58/629071458.db2.gz FYRWUPWTURIVCD-NSHDSACASA-N 1 0 277.368 3.408 20 5 CGBDRO Cc1c(F)nccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000862272621 629335320 /nfs/dbraw/zinc/33/53/20/629335320.db2.gz QMLYLKLPAGOTNA-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC(C)(C)C1 ZINC000796530618 629796421 /nfs/dbraw/zinc/79/64/21/629796421.db2.gz IGAYJXHCJGIXLN-LSDHHAIUSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000801570840 630344286 /nfs/dbraw/zinc/34/42/86/630344286.db2.gz PQDBZXGYLZGMTP-YGRLFVJLSA-N 1 0 292.360 3.041 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000801570839 630344411 /nfs/dbraw/zinc/34/44/11/630344411.db2.gz PQDBZXGYLZGMTP-QMTHXVAHSA-N 1 0 292.360 3.041 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811516424 631081984 /nfs/dbraw/zinc/08/19/84/631081984.db2.gz UCWHJPLDHDHGRA-LLVKDONJSA-N 1 0 299.802 3.067 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576719 631797610 /nfs/dbraw/zinc/79/76/10/631797610.db2.gz WYRGUUKGYZJAIQ-SMDDNHRTSA-N 1 0 297.358 3.168 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000817414003 632143788 /nfs/dbraw/zinc/14/37/88/632143788.db2.gz BJKUKGFGSAKBPT-NWDGAFQWSA-N 1 0 298.770 3.295 20 5 CGBDRO CC1(C)CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819253804 632411522 /nfs/dbraw/zinc/41/15/22/632411522.db2.gz JAGYQFZTCCMMEB-ZFWWWQNUSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000819345907 632435915 /nfs/dbraw/zinc/43/59/15/632435915.db2.gz PWUMZLLSXRDOTI-HNNXBMFYSA-N 1 0 292.379 3.044 20 5 CGBDRO CCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866211066 633029329 /nfs/dbraw/zinc/02/93/29/633029329.db2.gz AKGNUCOYZUPEIW-SNVBAGLBSA-N 1 0 254.305 3.055 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCC1 ZINC000866243618 633042457 /nfs/dbraw/zinc/04/24/57/633042457.db2.gz RXRJOYWKTPEDFC-SNVBAGLBSA-N 1 0 266.316 3.055 20 5 CGBDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000866290066 633067372 /nfs/dbraw/zinc/06/73/72/633067372.db2.gz NQXPVAVKSXMOFE-CYBMUJFWSA-N 1 0 285.347 3.101 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCCS1 ZINC000866481107 633153132 /nfs/dbraw/zinc/15/31/32/633153132.db2.gz OVQAXDXFWXRFFN-RISCZKNCSA-N 1 0 292.404 3.457 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000866636246 633224605 /nfs/dbraw/zinc/22/46/05/633224605.db2.gz XWFYHPZUCPSTLJ-CYZMBNFOSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766521 633285395 /nfs/dbraw/zinc/28/53/95/633285395.db2.gz VIYJXJWXVVHTCK-NSHDSACASA-N 1 0 289.162 3.268 20 5 CGBDRO Cc1nn(C[N@H+]2CCCC[C@@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000122118118 633314472 /nfs/dbraw/zinc/31/44/72/633314472.db2.gz LZMRZCAASPFTFR-CQSZACIVSA-N 1 0 294.399 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000829029716 633683205 /nfs/dbraw/zinc/68/32/05/633683205.db2.gz YODXJDCOLATYJI-FZMZJTMJSA-N 1 0 278.327 3.498 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035776 633954689 /nfs/dbraw/zinc/95/46/89/633954689.db2.gz QOARBWOWRMQVCP-QWRGUYRKSA-N 1 0 298.358 3.182 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872038929 633958882 /nfs/dbraw/zinc/95/88/82/633958882.db2.gz BMSSVLBSBGXTCC-GXFFZTMASA-N 1 0 284.331 3.056 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039226 633959543 /nfs/dbraw/zinc/95/95/43/633959543.db2.gz DUFJNFBULHRMHM-GRYCIOLGSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872040174 633960406 /nfs/dbraw/zinc/96/04/06/633960406.db2.gz XFSSMYFYMVUIHH-LLVKDONJSA-N 1 0 298.358 3.183 20 5 CGBDRO CC[C@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040234 633962041 /nfs/dbraw/zinc/96/20/41/633962041.db2.gz YRAWPXZEADASRL-GHMZBOCLSA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043783 633966685 /nfs/dbraw/zinc/96/66/85/633966685.db2.gz MABRJEPYCQTBBY-IJLUTSLNSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H]([NH2+]C1CC=CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045348 633968255 /nfs/dbraw/zinc/96/82/55/633968255.db2.gz ZSFYZIWAHFAZIY-VIFPVBQESA-N 1 0 250.273 3.103 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052347 633975616 /nfs/dbraw/zinc/97/56/16/633975616.db2.gz CKZMMGLXLOMCQT-USZNOCQGSA-N 1 0 296.342 3.341 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064834 633987582 /nfs/dbraw/zinc/98/75/82/633987582.db2.gz MSUZDSCHLGNYDT-QWRGUYRKSA-N 1 0 298.408 3.392 20 5 CGBDRO CCOC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872066183 633988827 /nfs/dbraw/zinc/98/88/27/633988827.db2.gz JVTIODRXTLTJGV-YPMHNXCESA-N 1 0 298.358 3.446 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCCO ZINC000872067755 633989726 /nfs/dbraw/zinc/98/97/26/633989726.db2.gz SNCXHNXPBJBSHV-NSHDSACASA-N 1 0 298.408 3.130 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080444 634003709 /nfs/dbraw/zinc/00/37/09/634003709.db2.gz XMAFLHXJNDDLMZ-WRWGMCAJSA-N 1 0 296.342 3.198 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872109079 634032809 /nfs/dbraw/zinc/03/28/09/634032809.db2.gz GTUDUNSWSLNDNR-MZGVZZPPSA-N 1 0 290.363 3.203 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000873066217 634240458 /nfs/dbraw/zinc/24/04/58/634240458.db2.gz QBUUVMDUWRVPGX-AWEZNQCLSA-N 1 0 280.368 3.054 20 5 CGBDRO CS[C@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873096587 634244633 /nfs/dbraw/zinc/24/46/33/634244633.db2.gz RYXJLVAKIRDPGI-SNVBAGLBSA-N 1 0 268.382 3.053 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CS[C@H](C)C1 ZINC000873130739 634252644 /nfs/dbraw/zinc/25/26/44/634252644.db2.gz JFEZIWYKJOEINU-ZYHUDNBSSA-N 1 0 280.393 3.195 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cccc1[N+](=O)[O-] ZINC000873138706 634257493 /nfs/dbraw/zinc/25/74/93/634257493.db2.gz LVJGOQFNSKVQDZ-GFCCVEGCSA-N 1 0 284.306 3.284 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@@H]2F)cccc1[N+](=O)[O-] ZINC000873150288 634258715 /nfs/dbraw/zinc/25/87/15/634258715.db2.gz JOOBSAQAKSYPTO-QWHCGFSZSA-N 1 0 266.316 3.274 20 5 CGBDRO CCC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000834875942 634262470 /nfs/dbraw/zinc/26/24/70/634262470.db2.gz VUFPBXZFZUBUDT-UHFFFAOYSA-N 1 0 289.379 3.096 20 5 CGBDRO CCCCCC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876905033 634926261 /nfs/dbraw/zinc/92/62/61/634926261.db2.gz NZUCNICQRJYZRJ-IYXRBSQSSA-N 1 0 294.399 3.443 20 5 CGBDRO Cc1ccc(CNc2[nH+]ccn2C2CC2)cc1[N+](=O)[O-] ZINC000840887645 635075241 /nfs/dbraw/zinc/07/52/41/635075241.db2.gz RSYJDXJYTGNIRH-UHFFFAOYSA-N 1 0 272.308 3.047 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879959758 635888717 /nfs/dbraw/zinc/88/87/17/635888717.db2.gz RQXDYGASOFNCOX-JSGCOSHPSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000844405244 635891532 /nfs/dbraw/zinc/89/15/32/635891532.db2.gz UVNJHFBXQSHNLI-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(F)CC1 ZINC000880241815 635950677 /nfs/dbraw/zinc/95/06/77/635950677.db2.gz JZRYOWBXPKOXIR-JTQLQIEISA-N 1 0 252.289 3.090 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000880315507 635972352 /nfs/dbraw/zinc/97/23/52/635972352.db2.gz NNMMTNAZSMBJMM-GFCCVEGCSA-N 1 0 289.360 3.041 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846215102 636160304 /nfs/dbraw/zinc/16/03/04/636160304.db2.gz XMNPNFNJBBLHHA-SNVBAGLBSA-N 1 0 275.352 3.160 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000847077537 636330188 /nfs/dbraw/zinc/33/01/88/636330188.db2.gz GXOHUHYTXUCSQK-DZGCQCFKSA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1nn(C[N@@H+]2CCC[C@@H]2CC2CCCC2)cc1[N+](=O)[O-] ZINC000848506966 636581817 /nfs/dbraw/zinc/58/18/17/636581817.db2.gz QVBLJZTYHLDKHO-CQSZACIVSA-N 1 0 292.383 3.102 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848784245 636657020 /nfs/dbraw/zinc/65/70/20/636657020.db2.gz VVWDESJEOPDSCV-OCCSQVGLSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1(O)CCCCC1 ZINC000087029308 636787333 /nfs/dbraw/zinc/78/73/33/636787333.db2.gz OBRBDTSBKHLGFS-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)SC ZINC000850439480 637064345 /nfs/dbraw/zinc/06/43/45/637064345.db2.gz OXLQJTCEDXLCTC-JTQLQIEISA-N 1 0 298.408 3.396 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850526189 637105324 /nfs/dbraw/zinc/10/53/24/637105324.db2.gz TYHSWGSEMPSRNS-CHWSQXEVSA-N 1 0 290.363 3.265 20 5 CGBDRO CCSC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850553190 637118598 /nfs/dbraw/zinc/11/85/98/637118598.db2.gz TWAZMAVFDBJPCH-JTQLQIEISA-N 1 0 295.408 3.113 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC2SCCS2)cccc1[N+](=O)[O-] ZINC000850559473 637123094 /nfs/dbraw/zinc/12/30/94/637123094.db2.gz BSBAZPLLJBUIIQ-SNVBAGLBSA-N 1 0 298.433 3.360 20 5 CGBDRO CC(C)CC1([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850565579 637126679 /nfs/dbraw/zinc/12/66/79/637126679.db2.gz DJLMGCJOLNBMKF-NSHDSACASA-N 1 0 277.368 3.406 20 5 CGBDRO CC(C)(CCc1ccccc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000885983660 637343092 /nfs/dbraw/zinc/34/30/92/637343092.db2.gz LVDWZXRZOVPGGL-UHFFFAOYSA-N 1 0 299.374 3.491 20 5 CGBDRO C[C@@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012618 637361636 /nfs/dbraw/zinc/36/16/36/637361636.db2.gz LHVUNJKERTWODJ-CJNGLKHVSA-N 1 0 297.358 3.368 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886114365 637421530 /nfs/dbraw/zinc/42/15/30/637421530.db2.gz NRNKCAYCWRARLN-RBOXIYTFSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000886158093 637441300 /nfs/dbraw/zinc/44/13/00/637441300.db2.gz RFSKDAAKIXVIDI-GXTWGEPZSA-N 1 0 277.368 3.390 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852291755 637628718 /nfs/dbraw/zinc/62/87/18/637628718.db2.gz YSDHUPLGTVWOBV-JTQLQIEISA-N 1 0 281.312 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(C4CC4)CCC3)nc2c1 ZINC000887146449 637762570 /nfs/dbraw/zinc/76/25/70/637762570.db2.gz XDBKOGGEWSDZIK-UHFFFAOYSA-N 1 0 287.319 3.158 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000300580878 637845955 /nfs/dbraw/zinc/84/59/55/637845955.db2.gz ULIPLTUFGMBSCW-XPKDYRNWSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1c(CN[C@@H](c2ccccc2)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000925659542 638559105 /nfs/dbraw/zinc/55/91/05/638559105.db2.gz WCYYGKCWNUHNLY-SUMWQHHRSA-N 1 0 299.374 3.081 20 5 CGBDRO CCO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000932178517 639287561 /nfs/dbraw/zinc/28/75/61/639287561.db2.gz OJXMQGUQAXQGDH-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(F)(C2CC2)CC1 ZINC000932625426 639368201 /nfs/dbraw/zinc/36/82/01/639368201.db2.gz ZTLCCYIYFGJPCC-UHFFFAOYSA-N 1 0 278.327 3.309 20 5 CGBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000092332253 640735288 /nfs/dbraw/zinc/73/52/88/640735288.db2.gz CLLKWFAQJGUQAA-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001252823217 806125806 /nfs/dbraw/zinc/12/58/06/806125806.db2.gz XCKODXXHYHBSQV-TZMCWYRMSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001159603158 806129543 /nfs/dbraw/zinc/12/95/43/806129543.db2.gz BDSWTSUUPQECTP-UHFFFAOYSA-N 1 0 283.331 3.293 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC001159616307 806134198 /nfs/dbraw/zinc/13/41/98/806134198.db2.gz VQXVXPMSRQBTLC-CSKARUKUSA-N 1 0 295.342 3.323 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)cc1 ZINC001160165180 806231095 /nfs/dbraw/zinc/23/10/95/806231095.db2.gz WXFSUTGYRFMQBS-CQSZACIVSA-N 1 0 299.330 3.079 20 5 CGBDRO Cc1ncccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532575 806444695 /nfs/dbraw/zinc/44/46/95/806444695.db2.gz PABSVZAPMSHGKE-GFCCVEGCSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC001254534650 806444883 /nfs/dbraw/zinc/44/48/83/806444883.db2.gz ZZDQGJRVXOAGBK-LLVKDONJSA-N 1 0 274.320 3.217 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1cccnc1 ZINC001254532216 806445409 /nfs/dbraw/zinc/44/54/09/806445409.db2.gz KXGSBCLXCVXRMQ-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(C)(C)C ZINC001254544371 806446114 /nfs/dbraw/zinc/44/61/14/806446114.db2.gz JFUQTNVQLNRMLM-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO Cc1occc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539510 806446151 /nfs/dbraw/zinc/44/61/51/806446151.db2.gz IHNPLDXGXPCRIZ-NSHDSACASA-N 1 0 274.320 3.217 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ncccc21 ZINC001254542422 806446594 /nfs/dbraw/zinc/44/65/94/806446594.db2.gz NBYXTJHLPBCGNZ-BLLLJJGKSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1Cc3ccccc3C1)C2 ZINC001254599247 806458266 /nfs/dbraw/zinc/45/82/66/806458266.db2.gz MPYKPDJGGMSIPD-KRWDZBQOSA-N 1 0 280.327 3.078 20 5 CGBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001162216172 806529345 /nfs/dbraw/zinc/52/93/45/806529345.db2.gz JRDCBMIPIKDXKP-LLVKDONJSA-N 1 0 297.424 3.499 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1-n1c2ccccc2nc1[C@H](C)[NH3+] ZINC001162764996 806661143 /nfs/dbraw/zinc/66/11/43/806661143.db2.gz CIOJGUHCVNNONC-NSHDSACASA-N 1 0 296.330 3.262 20 5 CGBDRO C[N@@H+]1CCN(c2ccsc2[N+](=O)[O-])CC12CCCCC2 ZINC001163340753 806741759 /nfs/dbraw/zinc/74/17/59/806741759.db2.gz HLIXMGZSHOAIJH-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000686506989 799735226 /nfs/dbraw/zinc/73/52/26/799735226.db2.gz GYRKQHIPGBUMHO-JFGNBEQYSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000688903205 799758530 /nfs/dbraw/zinc/75/85/30/799758530.db2.gz VPTQGYKEIWDYAQ-GXFFZTMASA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1(F)F ZINC000689260515 799763646 /nfs/dbraw/zinc/76/36/46/799763646.db2.gz INSXGWFGFVIVIW-LLVKDONJSA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@H]([NH2+]CCC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000693777040 799815204 /nfs/dbraw/zinc/81/52/04/799815204.db2.gz NBYARQFWWAQRCO-JTQLQIEISA-N 1 0 298.433 3.442 20 5 CGBDRO C[N@@H+]1CCCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000700771445 799878383 /nfs/dbraw/zinc/87/83/83/799878383.db2.gz RJFARUFOVVWWFS-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000716662686 800179338 /nfs/dbraw/zinc/17/93/38/800179338.db2.gz CGGKPTKAEOYFLV-KAOXEZKKSA-N 1 0 274.364 3.285 20 5 CGBDRO CCc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)[nH]n1 ZINC000765995406 800383253 /nfs/dbraw/zinc/38/32/53/800383253.db2.gz VVHKFMMOJHITME-NSHDSACASA-N 1 0 288.351 3.040 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCCO1 ZINC000847081598 800509033 /nfs/dbraw/zinc/50/90/33/800509033.db2.gz RNUMYRHPULLJOV-ZFWWWQNUSA-N 1 0 296.342 3.171 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc([N+](=O)[O-])c1 ZINC000903128952 800594404 /nfs/dbraw/zinc/59/44/04/800594404.db2.gz CFQFYBSXKZQKDZ-MNOVXSKESA-N 1 0 289.335 3.343 20 5 CGBDRO CC1([NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC001116476612 802360243 /nfs/dbraw/zinc/36/02/43/802360243.db2.gz RLOLMKMPGBKETE-UHFFFAOYSA-N 1 0 272.304 3.497 20 5 CGBDRO CCCC[NH+](CCCC)CCNc1ncccc1[N+](=O)[O-] ZINC001167732768 807235880 /nfs/dbraw/zinc/23/58/80/807235880.db2.gz FSSIVGPGCAUWJX-UHFFFAOYSA-N 1 0 294.399 3.304 20 5 CGBDRO C[NH+](C)CC(C)(C)CNc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001168768430 807507541 /nfs/dbraw/zinc/50/75/41/807507541.db2.gz VYZYPRGIILOHJH-UHFFFAOYSA-N 1 0 290.367 3.076 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168956213 807541485 /nfs/dbraw/zinc/54/14/85/807541485.db2.gz AHMLDAOKADBEEE-YDHLFZDLSA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC001168958544 807541926 /nfs/dbraw/zinc/54/19/26/807541926.db2.gz OEFJQKYZQFBEOA-DAXOMENPSA-N 1 0 274.364 3.173 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001168967368 807542885 /nfs/dbraw/zinc/54/28/85/807542885.db2.gz PBOPYGYTTKFBQD-CABZTGNLSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001168976254 807545335 /nfs/dbraw/zinc/54/53/35/807545335.db2.gz CADRXPWMDBRGAX-KJEVXHAQSA-N 1 0 294.782 3.231 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001168978055 807546045 /nfs/dbraw/zinc/54/60/45/807546045.db2.gz NWXJVEJBZQZPRZ-IMJJTQAJSA-N 1 0 276.380 3.481 20 5 CGBDRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168983378 807547326 /nfs/dbraw/zinc/54/73/26/807547326.db2.gz JTTHZIFDGODDEF-NFAWXSAZSA-N 1 0 292.379 3.181 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168994068 807548751 /nfs/dbraw/zinc/54/87/51/807548751.db2.gz OLKBODZADRSXOA-BXUZGUMPSA-N 1 0 280.343 3.096 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2cccc(F)c2)C2CC2)C1 ZINC001168999048 807548892 /nfs/dbraw/zinc/54/88/92/807548892.db2.gz RFPHGDTYZYJRKT-XFBWCDHKSA-N 1 0 292.354 3.312 20 5 CGBDRO Cc1cccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168998287 807549067 /nfs/dbraw/zinc/54/90/67/807549067.db2.gz KYHUCQWWLALASX-GDBMZVCRSA-N 1 0 288.391 3.409 20 5 CGBDRO CCCCCC[C@@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005416 807550036 /nfs/dbraw/zinc/55/00/36/807550036.db2.gz UDLMGARAMHJRTP-MCIONIFRSA-N 1 0 256.390 3.380 20 5 CGBDRO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006634 807550140 /nfs/dbraw/zinc/55/01/40/807550140.db2.gz IRORUWUFPFJPRY-JKSUJKDBSA-N 1 0 276.380 3.342 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169011979 807553578 /nfs/dbraw/zinc/55/35/78/807553578.db2.gz OGFWINLEZPWAGT-DAXOMENPSA-N 1 0 292.354 3.408 20 5 CGBDRO C[N@H+](CCc1ccc(Cl)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034544 807555512 /nfs/dbraw/zinc/55/55/12/807555512.db2.gz HNSBKBXSDFVRIH-ZFWWWQNUSA-N 1 0 296.798 3.260 20 5 CGBDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036867 807556146 /nfs/dbraw/zinc/55/61/46/807556146.db2.gz HSWMJVDSRJYGMV-FRFSOERESA-N 1 0 288.391 3.441 20 5 CGBDRO CCCC[NH+](CCCC)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038102 807556760 /nfs/dbraw/zinc/55/67/60/807556760.db2.gz VIIVNYKRXVZYLY-ZIAGYGMSSA-N 1 0 256.390 3.334 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039927 807556951 /nfs/dbraw/zinc/55/69/51/807556951.db2.gz VXJYWEMIROZTON-RHSMWYFYSA-N 1 0 286.375 3.221 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001169039659 807557571 /nfs/dbraw/zinc/55/75/71/807557571.db2.gz RXTOGRFAZGHTBS-FVQBIDKESA-N 1 0 280.412 3.477 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H](F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261481935 807749032 /nfs/dbraw/zinc/74/90/32/807749032.db2.gz VHQJDEABWQMCJA-ZMLRMANQSA-N 1 0 281.331 3.108 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC001261852864 807795228 /nfs/dbraw/zinc/79/52/28/807795228.db2.gz QNAKIBKKVMMVNF-MRXNPFEDSA-N 1 0 297.358 3.465 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001170326441 807827069 /nfs/dbraw/zinc/82/70/69/807827069.db2.gz JTSQQTJMMSVKSH-VXGBXAGGSA-N 1 0 292.379 3.313 20 5 CGBDRO CC[N@H+](C(C)C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326634 807827188 /nfs/dbraw/zinc/82/71/88/807827188.db2.gz AWQYZTVAMMUAGZ-GFCCVEGCSA-N 1 0 280.368 3.265 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCOC[C@@H]1C ZINC001170817729 807914651 /nfs/dbraw/zinc/91/46/51/807914651.db2.gz JQJGFMQMZVOJBC-HOCLYGCPSA-N 1 0 277.432 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1C[C@H](F)C1)CC2 ZINC001172901983 808476180 /nfs/dbraw/zinc/47/61/80/808476180.db2.gz RYDDWTCGNIVVPT-CQDKDKBSSA-N 1 0 292.354 3.180 20 5 CGBDRO CC(C)(C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899483 808476260 /nfs/dbraw/zinc/47/62/60/808476260.db2.gz ZPVWOLRBLDUQTO-CQSZACIVSA-N 1 0 276.380 3.478 20 5 CGBDRO CCC[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182741 808533741 /nfs/dbraw/zinc/53/37/41/808533741.db2.gz TYWXXDCSPWFPLW-WDEREUQCSA-N 1 0 298.358 3.452 20 5 CGBDRO Cc1cncc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173209755 808537644 /nfs/dbraw/zinc/53/76/44/808537644.db2.gz FMHGVWRXBXDRDL-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173209750 808537963 /nfs/dbraw/zinc/53/79/63/808537963.db2.gz FHHVZTDRZADWJB-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCCC1 ZINC001173212231 808538018 /nfs/dbraw/zinc/53/80/18/808538018.db2.gz XYHFLFGIECUSOK-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213123 808538660 /nfs/dbraw/zinc/53/86/60/808538660.db2.gz DTHUZGDVMAHTTC-NEPJUHHUSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(CC[NH3+])cc1 ZINC001173213594 808538858 /nfs/dbraw/zinc/53/88/58/808538858.db2.gz JBPSJAQLSGPLCQ-CYBMUJFWSA-N 1 0 299.374 3.139 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccnc2)CC1 ZINC001173217920 808539132 /nfs/dbraw/zinc/53/91/32/808539132.db2.gz HKDAYSQYWHWOGC-CYBMUJFWSA-N 1 0 297.358 3.200 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222965 808539754 /nfs/dbraw/zinc/53/97/54/808539754.db2.gz VVJMSKBDMNBINZ-CZUORRHYSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCCC2 ZINC001173221596 808539847 /nfs/dbraw/zinc/53/98/47/808539847.db2.gz KLGWPZFZEKUHMH-ZDUSSCGKSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001173218648 808540016 /nfs/dbraw/zinc/54/00/16/808540016.db2.gz RHVBDOCPJUFBET-OCCSQVGLSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CCCC2 ZINC001173221884 808540533 /nfs/dbraw/zinc/54/05/33/808540533.db2.gz QQCVQJCHGRKKEZ-IUODEOHRSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CCC1 ZINC001173228292 808541249 /nfs/dbraw/zinc/54/12/49/808541249.db2.gz IUNZCFJCPRDBRL-NEPJUHHUSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001173227107 808541828 /nfs/dbraw/zinc/54/18/28/808541828.db2.gz OCVXFYMDCWBZDQ-RISCZKNCSA-N 1 0 296.317 3.257 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCC2)C1 ZINC001173233989 808543022 /nfs/dbraw/zinc/54/30/22/808543022.db2.gz NOPMPEXLNZHFFG-ZDUSSCGKSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(c2cccnc2)C1 ZINC001173231809 808543708 /nfs/dbraw/zinc/54/37/08/808543708.db2.gz DEWRSAVYATXDOD-CYBMUJFWSA-N 1 0 297.358 3.020 20 5 CGBDRO CC(C)O[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234818 808544225 /nfs/dbraw/zinc/54/42/25/808544225.db2.gz UFHCMCATYQQXLA-CJNGLKHVSA-N 1 0 292.379 3.025 20 5 CGBDRO c1c[nH+]c(Nc2cc3cccnc3c3ncccc23)[nH]1 ZINC001176085719 809619108 /nfs/dbraw/zinc/61/91/08/809619108.db2.gz VRYDSBSLCPHLOD-UHFFFAOYSA-N 1 0 261.288 3.250 20 5 CGBDRO Cc1c(C[NH2+][C@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC001202157471 812025376 /nfs/dbraw/zinc/02/53/76/812025376.db2.gz CRVLREXNKQJIOS-AWEZNQCLSA-N 1 0 294.395 3.180 20 5 CGBDRO O=[N+]([O-])c1ccccc1Nc1c[nH+]ccc1N1CCCC1 ZINC001206158305 813218232 /nfs/dbraw/zinc/21/82/32/813218232.db2.gz VSTCRYXWXRAIRU-UHFFFAOYSA-N 1 0 284.319 3.334 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2ccnn2-c2cc[nH+]cc2)c1F ZINC001210382511 814435523 /nfs/dbraw/zinc/43/55/23/814435523.db2.gz YTKOFGAIQRBVQI-UHFFFAOYSA-N 1 0 299.265 3.058 20 5 CGBDRO C[C@@H](OCCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001217888243 815990684 /nfs/dbraw/zinc/99/06/84/815990684.db2.gz PFLBUJRYHFFXLS-ZIAGYGMSSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001217983418 816032798 /nfs/dbraw/zinc/03/27/98/816032798.db2.gz CBIHDDUDPKWURV-CMPLNLGQSA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001218021648 816058381 /nfs/dbraw/zinc/05/83/81/816058381.db2.gz CBAKEGAGTPPXGZ-RNCFNFMXSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218034790 816067040 /nfs/dbraw/zinc/06/70/40/816067040.db2.gz CYXSEXBEBJCZLV-MLGOLLRUSA-N 1 0 278.355 3.375 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[NH2+]1 ZINC001218047732 816073385 /nfs/dbraw/zinc/07/33/85/816073385.db2.gz AOJBLVKJPZVTML-DOMZBBRYSA-N 1 0 298.342 3.391 20 5 CGBDRO Cc1cc(O[C@H]2CCC23CC[NH2+]CC3)cc(C)c1[N+](=O)[O-] ZINC001218084759 816088974 /nfs/dbraw/zinc/08/89/74/816088974.db2.gz JQKCEJYDFNQXSK-AWEZNQCLSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC23CC[NH2+]CC3)cc1Cl ZINC001218083516 816089108 /nfs/dbraw/zinc/08/91/08/816089108.db2.gz QQWCNTSYBAOGDQ-CYBMUJFWSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001218089047 816091154 /nfs/dbraw/zinc/09/11/54/816091154.db2.gz CWPKHDIKYTUXQN-JKSUJKDBSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1Cl ZINC001218089826 816091261 /nfs/dbraw/zinc/09/12/61/816091261.db2.gz BASGBILFMXUGRN-JSGCOSHPSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218097154 816097407 /nfs/dbraw/zinc/09/74/07/816097407.db2.gz TUFKSVKNLXIPEM-HZPDHXFCSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CC2(C1)CC[NH2+]CC2 ZINC001218105949 816101261 /nfs/dbraw/zinc/10/12/61/816101261.db2.gz HLVYPJROUJWJMJ-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218113701 816101921 /nfs/dbraw/zinc/10/19/21/816101921.db2.gz CWLOTZZQQFVSJR-BXUZGUMPSA-N 1 0 296.754 3.078 20 5 CGBDRO O=[N+]([O-])c1c(O[C@H]2CC[C@@]23CC[NH2+]C3)ccc2ccccc21 ZINC001218116042 816103973 /nfs/dbraw/zinc/10/39/73/816103973.db2.gz IWDXFRXDOQWGTP-RDJZCZTQSA-N 1 0 298.342 3.269 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001218145148 816113599 /nfs/dbraw/zinc/11/35/99/816113599.db2.gz ZGHMORFROPIVNS-SUZMYJTESA-N 1 0 296.754 3.015 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218310765 816161463 /nfs/dbraw/zinc/16/14/63/816161463.db2.gz ZLWKRSIXNBKNLO-CYBMUJFWSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+]CC1(C)C ZINC001218311237 816161480 /nfs/dbraw/zinc/16/14/80/816161480.db2.gz HIGMEXBAPOBLQT-LLVKDONJSA-N 1 0 298.770 3.324 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1C=CC[NH2+]C1 ZINC001218333255 816171024 /nfs/dbraw/zinc/17/10/24/816171024.db2.gz HNPLXEBYJMBNPC-CQSZACIVSA-N 1 0 276.339 3.295 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001218386033 816185477 /nfs/dbraw/zinc/18/54/77/816185477.db2.gz JPRACZDTKKEAMZ-BONVTDFDSA-N 1 0 295.338 3.143 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Cl ZINC001218402746 816195857 /nfs/dbraw/zinc/19/58/57/816195857.db2.gz VDOXMAKDYDUFNK-VHSXEESVSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc(O[C@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])cc1Cl ZINC001218403016 816196854 /nfs/dbraw/zinc/19/68/54/816196854.db2.gz HJCRFRNOXWSDTI-ZDUSSCGKSA-N 1 0 296.754 3.078 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218476620 816233407 /nfs/dbraw/zinc/23/34/07/816233407.db2.gz IZXZWDOHERRHPZ-LBPRGKRZSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(O[C@H]2C[NH2+]Cc3ccccc32)cc1 ZINC001218487476 816242297 /nfs/dbraw/zinc/24/22/97/816242297.db2.gz IYJHZMQTOJRKNJ-FVNWOWOISA-N 1 0 296.326 3.157 20 5 CGBDRO Cc1cc(O[C@@H]2C[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1C ZINC001218488674 816243899 /nfs/dbraw/zinc/24/38/99/816243899.db2.gz KZGVBIRICYGYTI-QGZVFWFLSA-N 1 0 298.342 3.435 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1csc(-c2ccccc2)n1 ZINC001222886542 816528494 /nfs/dbraw/zinc/52/84/94/816528494.db2.gz IZBVWUSDSGGIHA-ZDUSSCGKSA-N 1 0 291.440 3.421 20 5 CGBDRO Cc1ccc(COC2CC[NH+](C3CC3)CC2)cc1[N+](=O)[O-] ZINC001223226925 816592246 /nfs/dbraw/zinc/59/22/46/816592246.db2.gz YPNAWCRWPNJXNI-UHFFFAOYSA-N 1 0 290.363 3.047 20 5 CGBDRO CC(C)[NH+]1CCC(OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224331678 816778598 /nfs/dbraw/zinc/77/85/98/816778598.db2.gz RLHVAUTWRNMJHN-UHFFFAOYSA-N 1 0 292.379 3.027 20 5 CGBDRO Cc1ccc(Cl)cc1[C@H](C)OCC[N+](C)(C)C ZINC001224775068 816878298 /nfs/dbraw/zinc/87/82/98/816878298.db2.gz IDCGJOONJMERMM-LBPRGKRZSA-N 1 0 256.797 3.432 20 5 CGBDRO C[N+](C)(C)CCO[C@H]1CCc2cc(C(F)(F)F)ccc21 ZINC001224772850 816878576 /nfs/dbraw/zinc/87/85/76/816878576.db2.gz CFZNFKPNOCHLEM-AWEZNQCLSA-N 1 0 288.333 3.416 20 5 CGBDRO C[N+](C)(C)CCOC1CC(c2ccccc2Cl)C1 ZINC001224776260 816879080 /nfs/dbraw/zinc/87/90/80/816879080.db2.gz UBQNJDZVKGAJHG-UHFFFAOYSA-N 1 0 268.808 3.309 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1Cl ZINC001225203937 816958896 /nfs/dbraw/zinc/95/88/96/816958896.db2.gz IHJFYXOPKFCOAF-SECBINFHSA-N 1 0 263.188 3.467 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2c(F)cccc2[N+](=O)[O-])CC1 ZINC001226007033 817246679 /nfs/dbraw/zinc/24/66/79/817246679.db2.gz DIWKOHFUAUMXQM-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001226509761 817378983 /nfs/dbraw/zinc/37/89/83/817378983.db2.gz SWOIQTBZYAWUSS-NSHDSACASA-N 1 0 274.320 3.077 20 5 CGBDRO Cc1nc2ccc(Cl)cc2c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001226682584 817432446 /nfs/dbraw/zinc/43/24/46/817432446.db2.gz JVTILXQUZGPSME-SNVBAGLBSA-N 1 0 294.806 3.065 20 5 CGBDRO C[NH+]1C(C)(C)CC(Oc2ccc([N+](=O)[O-])nc2)CC1(C)C ZINC001226712651 817443714 /nfs/dbraw/zinc/44/37/14/817443714.db2.gz PPNGTLSGWFMOIK-UHFFFAOYSA-N 1 0 293.367 3.020 20 5 CGBDRO Cc1cccc(O[C@@H](C)C[N+](C)(C)C)c1Br ZINC001227127985 817566517 /nfs/dbraw/zinc/56/65/17/817566517.db2.gz BEQBTSPYSFNZLG-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1Cl ZINC001227512339 817662207 /nfs/dbraw/zinc/66/22/07/817662207.db2.gz XCFPLFCSGAHPIU-SECBINFHSA-N 1 0 263.188 3.467 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC001228255288 817852189 /nfs/dbraw/zinc/85/21/89/817852189.db2.gz HFXJIVNKNBYSGJ-GNXNZQSNSA-N 1 0 296.754 3.252 20 5 CGBDRO CSc1nc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2s1 ZINC001231376289 818087077 /nfs/dbraw/zinc/08/70/77/818087077.db2.gz LVIPZAYVKQUUSW-JTQLQIEISA-N 1 0 297.469 3.492 20 5 CGBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)[C@@H]1CCOC1 ZINC001232223992 818284207 /nfs/dbraw/zinc/28/42/07/818284207.db2.gz YFKCBYKGNUVTFM-MRXNPFEDSA-N 1 0 293.370 3.004 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2cccc(Cl)c2s1 ZINC001233748437 818696933 /nfs/dbraw/zinc/69/69/33/818696933.db2.gz WDIQUNABGYILOZ-VIFPVBQESA-N 1 0 285.820 3.423 20 5 CGBDRO COc1ccc(C(F)(F)F)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234055341 818769155 /nfs/dbraw/zinc/76/91/55/818769155.db2.gz SLNHEZNUBQBXOX-JTQLQIEISA-N 1 0 292.321 3.188 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1ccnc2c1ccc1cccnc12 ZINC001234086459 818775263 /nfs/dbraw/zinc/77/52/63/818775263.db2.gz GFHHYOOCMRTIDT-GFCCVEGCSA-N 1 0 281.359 3.112 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001459993835 928732699 /nfs/dbraw/zinc/73/26/99/928732699.db2.gz VSFIEXADKISIPH-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1ccc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125612 937452057 /nfs/dbraw/zinc/45/20/57/937452057.db2.gz FDIUELLTGNHPHH-ZIAGYGMSSA-N 1 0 291.395 3.436 20 5 CGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC001460266996 937523294 /nfs/dbraw/zinc/52/32/94/937523294.db2.gz XKESUXWHFHCXRP-CABCVRRESA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001460886485 937550597 /nfs/dbraw/zinc/55/05/97/937550597.db2.gz AEEILFLBLBNMDA-SECBINFHSA-N 1 0 252.289 3.012 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229378136 932142621 /nfs/dbraw/zinc/14/26/21/932142621.db2.gz SBFYLDONLCPYBM-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C/C=C\c2ccccc2)c1 ZINC001461406926 937579497 /nfs/dbraw/zinc/57/94/97/937579497.db2.gz YLUGVPSFBDWHOW-UITAMQMPSA-N 1 0 282.343 3.440 20 5 CGBDRO Cc1ccc(F)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001461410560 937579887 /nfs/dbraw/zinc/57/98/87/937579887.db2.gz MZYWPRLYZZQWSZ-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461588498 937586954 /nfs/dbraw/zinc/58/69/54/937586954.db2.gz IUQWKDNODNEJLJ-SMDDNHRTSA-N 1 0 294.395 3.098 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001229880651 932497580 /nfs/dbraw/zinc/49/75/80/932497580.db2.gz HTQKXJQKCHQEQA-HDJSIYSDSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001229881911 932497633 /nfs/dbraw/zinc/49/76/33/932497633.db2.gz IGGVMOIVZKWHQA-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229961953 932511281 /nfs/dbraw/zinc/51/12/81/932511281.db2.gz LPVONUCRVVHPML-SNVBAGLBSA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001230515645 932582915 /nfs/dbraw/zinc/58/29/15/932582915.db2.gz KYQWHBQWFYAIDT-SECBINFHSA-N 1 0 298.302 3.193 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622153 932600141 /nfs/dbraw/zinc/60/01/41/932600141.db2.gz HULCLMBWAGSRFI-ZDUSSCGKSA-N 1 0 286.331 3.221 20 5 CGBDRO C[C@@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C ZINC001308808733 933180789 /nfs/dbraw/zinc/18/07/89/933180789.db2.gz CJGJZHDSHHSXCJ-LBPRGKRZSA-N 1 0 292.379 3.340 20 5 CGBDRO CC1([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001320990207 934132434 /nfs/dbraw/zinc/13/24/34/934132434.db2.gz XQUHJZFFLKZJOH-CYBMUJFWSA-N 1 0 260.337 3.459 20 5 CGBDRO Cc1cc(NCC[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])s1 ZINC001472803666 937784690 /nfs/dbraw/zinc/78/46/90/937784690.db2.gz GUUZTTLOHGOJAR-UHFFFAOYSA-N 1 0 283.397 3.251 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1cc(C)sc1[N+](=O)[O-] ZINC001472905207 937788586 /nfs/dbraw/zinc/78/85/86/937788586.db2.gz NJBQPEKQKHEFNL-JTQLQIEISA-N 1 0 285.413 3.497 20 5 CGBDRO CC(C)SCCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001327124641 935033483 /nfs/dbraw/zinc/03/34/83/935033483.db2.gz RTZJHPVADKIPTJ-UHFFFAOYSA-N 1 0 266.366 3.052 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C/C=C\C1CC1 ZINC001327869673 935092484 /nfs/dbraw/zinc/09/24/84/935092484.db2.gz ZWQLPPGTCNERRC-XDYPTIOJSA-N 1 0 258.321 3.164 20 5 CGBDRO C[C@@H]([NH2+]CCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001330066697 935265226 /nfs/dbraw/zinc/26/52/26/935265226.db2.gz GLYSNEUOOIEFNS-LLVKDONJSA-N 1 0 296.342 3.201 20 5 CGBDRO CN(Cc1cccn1C1CC1)Cc1ccccc1[N+](=O)[O-] ZINC001330517092 935291796 /nfs/dbraw/zinc/29/17/96/935291796.db2.gz IVHFECPSPOLKQJ-UHFFFAOYSA-N 1 0 285.347 3.363 20 5 CGBDRO CC1(C)CN(Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC001331236334 935360619 /nfs/dbraw/zinc/36/06/19/935360619.db2.gz LOQITSPIRGVTOZ-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001473859280 937825034 /nfs/dbraw/zinc/82/50/34/937825034.db2.gz FXLYASQTHZAJHU-NSHDSACASA-N 1 0 288.351 3.236 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3c2CCC3)cc1 ZINC001560319845 938252682 /nfs/dbraw/zinc/25/26/82/938252682.db2.gz AXCLDXVPQYAIEV-UHFFFAOYSA-N 1 0 296.370 3.416 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCCO)CC1 ZINC000273057957 192033114 /nfs/dbraw/zinc/03/31/14/192033114.db2.gz ZNYQDEGHTRKNCS-ZDUSSCGKSA-N 1 0 292.379 3.140 20 5 CGBDRO C[N@@H+]1CCC[C@H]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337759642 214249418 /nfs/dbraw/zinc/24/94/18/214249418.db2.gz ODQOSDTVUUVENO-NSHDSACASA-N 1 0 266.366 3.171 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000167417427 529409535 /nfs/dbraw/zinc/40/95/35/529409535.db2.gz WEGONPKNKWCIKQ-LLVKDONJSA-N 1 0 286.372 3.307 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](O)C(C)C ZINC000591255982 346912394 /nfs/dbraw/zinc/91/23/94/346912394.db2.gz YAIXQCCECIJIKU-VBNZEHGJSA-N 1 0 294.395 3.349 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2=CCCCC2)cs1 ZINC000295028803 199308178 /nfs/dbraw/zinc/30/81/78/199308178.db2.gz CXYGTOQZEKMHGJ-UHFFFAOYSA-N 1 0 252.339 3.246 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592397513 346984001 /nfs/dbraw/zinc/98/40/01/346984001.db2.gz MRGWUUMFIICFII-NJZAAPMLSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000593075235 347036078 /nfs/dbraw/zinc/03/60/78/347036078.db2.gz BOUAYCGNLODJHO-UHFFFAOYSA-N 1 0 296.317 3.259 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(C2CCC2)CC1 ZINC000593078792 347036623 /nfs/dbraw/zinc/03/66/23/347036623.db2.gz AZRDVBTWEHQTNZ-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593321531 347063053 /nfs/dbraw/zinc/06/30/53/347063053.db2.gz YOPIRMXDIIZIOA-WFASDCNBSA-N 1 0 297.358 3.282 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccccc2)cc1 ZINC000037719576 344952651 /nfs/dbraw/zinc/95/26/51/344952651.db2.gz ITNRZAQKXQZHSY-UHFFFAOYSA-N 1 0 284.359 3.360 20 5 CGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000058789693 345201486 /nfs/dbraw/zinc/20/14/86/345201486.db2.gz OTLMSJAOTNNJLU-HNNXBMFYSA-N 1 0 295.358 3.266 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000059403317 345207582 /nfs/dbraw/zinc/20/75/82/345207582.db2.gz HSYIWOXZPFJGCQ-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO Cc1ccc(C[NH2+]CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000131719507 232194208 /nfs/dbraw/zinc/19/42/08/232194208.db2.gz WXDYMIWOQGYFIB-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccoc2)cc1[N+](=O)[O-] ZINC000135776301 232200015 /nfs/dbraw/zinc/20/00/15/232200015.db2.gz CBFJVRFAWBOKLV-LLVKDONJSA-N 1 0 260.293 3.347 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)C)C1CC1 ZINC000075610821 345514983 /nfs/dbraw/zinc/51/49/83/345514983.db2.gz OOPSSGFYZHWDBO-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO COC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000086699980 345750356 /nfs/dbraw/zinc/75/03/56/345750356.db2.gz MYQJYZOPKRQTEX-LBPRGKRZSA-N 1 0 286.759 3.009 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083216327 345724878 /nfs/dbraw/zinc/72/48/78/345724878.db2.gz BKQVAJNEUBEWFC-GHMZBOCLSA-N 1 0 289.335 3.356 20 5 CGBDRO COc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512633 345770289 /nfs/dbraw/zinc/77/02/89/345770289.db2.gz GIIIOIUPUDSVQT-HNNXBMFYSA-N 1 0 298.342 3.381 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910037 345796917 /nfs/dbraw/zinc/79/69/17/345796917.db2.gz XJONSFFTWCONSF-NWDGAFQWSA-N 1 0 250.342 3.162 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000091097633 345804088 /nfs/dbraw/zinc/80/40/88/345804088.db2.gz WFVKMWFVBVMGAB-LBPRGKRZSA-N 1 0 298.408 3.177 20 5 CGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccoc1 ZINC000102407667 345915698 /nfs/dbraw/zinc/91/56/98/345915698.db2.gz JZRBEGFOGZKKLK-UHFFFAOYSA-N 1 0 290.319 3.089 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccn2C)cc1[N+](=O)[O-] ZINC000175062077 232311657 /nfs/dbraw/zinc/31/16/57/232311657.db2.gz NIVNBNRGZPXBMZ-GFCCVEGCSA-N 1 0 273.336 3.093 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000124293106 346012019 /nfs/dbraw/zinc/01/20/19/346012019.db2.gz AULAVKJWUHUBKP-CFVMTHIKSA-N 1 0 292.379 3.369 20 5 CGBDRO CCCn1nccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000160097945 346170145 /nfs/dbraw/zinc/17/01/45/346170145.db2.gz KUKIRFDQTICYCH-GFCCVEGCSA-N 1 0 288.351 3.052 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000220598678 346295790 /nfs/dbraw/zinc/29/57/90/346295790.db2.gz KHMBFPNWPTXIOW-CWSCBRNRSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000314127572 346481350 /nfs/dbraw/zinc/48/13/50/346481350.db2.gz JWDMUFIIIAGNEH-GFCCVEGCSA-N 1 0 295.358 3.185 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747077 346482746 /nfs/dbraw/zinc/48/27/46/346482746.db2.gz QNACKZAXFVCWJC-JSGCOSHPSA-N 1 0 293.342 3.081 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000403407430 346596817 /nfs/dbraw/zinc/59/68/17/346596817.db2.gz UBIRXIJXBOJHIY-IGHBBLSQSA-N 1 0 260.337 3.434 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000593715055 347106450 /nfs/dbraw/zinc/10/64/50/347106450.db2.gz JWYPSGAMWQZFHV-LNSITVRQSA-N 1 0 294.395 3.351 20 5 CGBDRO C[N@H+](CCNc1ccsc1[N+](=O)[O-])C1CCCCC1 ZINC000589563011 346800386 /nfs/dbraw/zinc/80/03/86/346800386.db2.gz PMEWULKVRZXCBT-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000589608947 346802320 /nfs/dbraw/zinc/80/23/20/346802320.db2.gz VQLFCKJSALNPBP-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)(C)CC1 ZINC000339256210 215045339 /nfs/dbraw/zinc/04/53/39/215045339.db2.gz SPOUCYQAKRSXNR-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC(F)(F)C1 ZINC000594498699 347179431 /nfs/dbraw/zinc/17/94/31/347179431.db2.gz TVUYZQVJAZPGGD-BXKDBHETSA-N 1 0 282.290 3.360 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000594502081 347180680 /nfs/dbraw/zinc/18/06/80/347180680.db2.gz CTUZWAIPQMOJKX-QMTHXVAHSA-N 1 0 260.337 3.218 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000594515846 347185482 /nfs/dbraw/zinc/18/54/82/347185482.db2.gz SXUQLUHXYUKMQB-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594522629 347188904 /nfs/dbraw/zinc/18/89/04/347188904.db2.gz LYUAPNIDPADKTM-GXTWGEPZSA-N 1 0 260.337 3.360 20 5 CGBDRO CC1(C)C[C@@]1(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594995229 347250826 /nfs/dbraw/zinc/25/08/26/347250826.db2.gz HBRHBDAXHFKHLG-PMGBHYCQSA-N 1 0 260.337 3.386 20 5 CGBDRO CC1(C)[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(F)F ZINC000594992677 347251072 /nfs/dbraw/zinc/25/10/72/347251072.db2.gz VODAECXAVLGFLL-VUDGCMKMSA-N 1 0 296.317 3.489 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N)c1 ZINC000594735208 347215053 /nfs/dbraw/zinc/21/50/53/347215053.db2.gz HTKRAYVYECELFS-ZDUSSCGKSA-N 1 0 299.374 3.288 20 5 CGBDRO CC1(C)CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000595000021 347252921 /nfs/dbraw/zinc/25/29/21/347252921.db2.gz ZPBMROSAKVEWNC-FNORWQNLSA-N 1 0 260.337 3.386 20 5 CGBDRO CSCC1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000594963525 347243033 /nfs/dbraw/zinc/24/30/33/347243033.db2.gz PXYOYDRNVSYQTD-UHFFFAOYSA-N 1 0 286.422 3.279 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)c1 ZINC000594973316 347246445 /nfs/dbraw/zinc/24/64/45/347246445.db2.gz QBMUGYGRQSDWBB-CZIWCDLHSA-N 1 0 298.342 3.294 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594977978 347247179 /nfs/dbraw/zinc/24/71/79/347247179.db2.gz OZFNVHLJCYFINQ-GFCCVEGCSA-N 1 0 270.279 3.120 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000595012724 347257147 /nfs/dbraw/zinc/25/71/47/347257147.db2.gz FDUPSKXLOCFXTD-SNVBAGLBSA-N 1 0 296.392 3.150 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032744 347264113 /nfs/dbraw/zinc/26/41/13/347264113.db2.gz MDMLATQYVAJWNS-LLVKDONJSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595425375 347301647 /nfs/dbraw/zinc/30/16/47/347301647.db2.gz QVVIWRAOGHAEAA-KGYLQXTDSA-N 1 0 295.383 3.442 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCc2ccoc2)cccc1[N+](=O)[O-] ZINC000595083427 347279346 /nfs/dbraw/zinc/27/93/46/347279346.db2.gz DOGSWVAPUWAZNX-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000595421853 347300904 /nfs/dbraw/zinc/30/09/04/347300904.db2.gz WGGWELYQIHRZKV-YRGRVCCFSA-N 1 0 278.352 3.121 20 5 CGBDRO CC1(C)C[C@@]1(C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595098654 347283416 /nfs/dbraw/zinc/28/34/16/347283416.db2.gz DKECEYXWPQMVEQ-IUODEOHRSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@@H]1CCCC[C@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425933 347301822 /nfs/dbraw/zinc/30/18/22/347301822.db2.gz VKRQNFQUROYHBB-OLZOCXBDSA-N 1 0 289.379 3.174 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483055 347309871 /nfs/dbraw/zinc/30/98/71/347309871.db2.gz FDWRHYCYOQDXPS-GXTWGEPZSA-N 1 0 298.383 3.498 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2CC2CCC2)c1[N+](=O)[O-] ZINC000595870856 347368996 /nfs/dbraw/zinc/36/89/96/347368996.db2.gz KKVIENWLQHUMSD-CYBMUJFWSA-N 1 0 293.367 3.436 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000596076872 347379640 /nfs/dbraw/zinc/37/96/40/347379640.db2.gz QYYUTVKQBOPALX-JQWIXIFHSA-N 1 0 281.381 3.003 20 5 CGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000596069372 347379881 /nfs/dbraw/zinc/37/98/81/347379881.db2.gz FJRKBZMWSACWOO-LLVKDONJSA-N 1 0 283.397 3.189 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000596308779 347414790 /nfs/dbraw/zinc/41/47/90/347414790.db2.gz URUBNTWSELDAKM-LBPRGKRZSA-N 1 0 277.368 3.127 20 5 CGBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093646 347382358 /nfs/dbraw/zinc/38/23/58/347382358.db2.gz CSZVEPNULDHNNC-GFCCVEGCSA-N 1 0 297.424 3.497 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597059110 347532316 /nfs/dbraw/zinc/53/23/16/347532316.db2.gz FHAZTWJDFBLETM-KBMXLJTQSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC23CC3)c(F)c1 ZINC000599018546 347706737 /nfs/dbraw/zinc/70/67/37/347706737.db2.gz YFVZPKFYETTZIQ-LBPRGKRZSA-N 1 0 278.327 3.404 20 5 CGBDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599068308 347713842 /nfs/dbraw/zinc/71/38/42/347713842.db2.gz MJMIIMFLEYYHFW-TZMCWYRMSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@]12C[C@H]1CCCC2 ZINC000601148594 347874942 /nfs/dbraw/zinc/87/49/42/347874942.db2.gz DQUBPXAEVXUYPK-UKRRQHHQSA-N 1 0 260.337 3.326 20 5 CGBDRO Cc1ccc(CN[C@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000601304864 347890535 /nfs/dbraw/zinc/89/05/35/347890535.db2.gz SLRCKMJVAHIJNQ-AWEZNQCLSA-N 1 0 272.304 3.273 20 5 CGBDRO CC[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012200 348106533 /nfs/dbraw/zinc/10/65/33/348106533.db2.gz KLSUMQUSIQMYTH-AWEZNQCLSA-N 1 0 292.379 3.486 20 5 CGBDRO CC[N@H+](CCC(F)(F)F)Cc1ccc([N+](=O)[O-])cc1 ZINC000604525317 348123491 /nfs/dbraw/zinc/12/34/91/348123491.db2.gz NILYGXWEVSIBNG-UHFFFAOYSA-N 1 0 276.258 3.369 20 5 CGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000608886415 348333525 /nfs/dbraw/zinc/33/35/25/348333525.db2.gz OHNBKFYDQRNTNM-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC000609560572 348346668 /nfs/dbraw/zinc/34/66/68/348346668.db2.gz PHWOLHPMAYHEFY-GRYCIOLGSA-N 1 0 297.424 3.435 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOC(C)(C)C ZINC000610859746 348406980 /nfs/dbraw/zinc/40/69/80/348406980.db2.gz KVGWYZRJFRZKMT-LBPRGKRZSA-N 1 0 280.368 3.403 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000611271356 348434323 /nfs/dbraw/zinc/43/43/23/348434323.db2.gz VOTMQFVMRIJYJC-AWEZNQCLSA-N 1 0 286.331 3.486 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOC2)CC1 ZINC000611178263 348426407 /nfs/dbraw/zinc/42/64/07/348426407.db2.gz SOMNHYYUBSAJQS-ZDUSSCGKSA-N 1 0 290.363 3.158 20 5 CGBDRO C[NH+](C)CC1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000611413554 348449383 /nfs/dbraw/zinc/44/93/83/348449383.db2.gz CIKBPRNGLOKXHC-UHFFFAOYSA-N 1 0 283.397 3.189 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC1(C)C ZINC000611468931 348453816 /nfs/dbraw/zinc/45/38/16/348453816.db2.gz VGXKOVICLGTDQT-SMDDNHRTSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCCC1 ZINC000611681514 348467105 /nfs/dbraw/zinc/46/71/05/348467105.db2.gz IZGVMSRMLWZKQO-AWEZNQCLSA-N 1 0 291.395 3.074 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2c1cccc2O ZINC000612610325 348534399 /nfs/dbraw/zinc/53/43/99/348534399.db2.gz XPBAUMXQCRAQHZ-INIZCTEOSA-N 1 0 298.342 3.386 20 5 CGBDRO CC(C)(CNc1ccsc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000616404012 348817508 /nfs/dbraw/zinc/81/75/08/348817508.db2.gz PEYKFLBCDIFKPL-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000122687846 187045891 /nfs/dbraw/zinc/04/58/91/187045891.db2.gz VYKNWHDVBHZAOU-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000122936656 187060838 /nfs/dbraw/zinc/06/08/38/187060838.db2.gz MNNPCJMAQJIYBT-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1c(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000123712729 187105396 /nfs/dbraw/zinc/10/53/96/187105396.db2.gz YIRPYCWZRKKRKK-IUODEOHRSA-N 1 0 292.379 3.029 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000271474751 191159082 /nfs/dbraw/zinc/15/90/82/191159082.db2.gz ZXRLALVXFXFHBS-FRRDWIJNSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000157466991 188318673 /nfs/dbraw/zinc/31/86/73/188318673.db2.gz UZAMWZVMNIRFGH-NSHDSACASA-N 1 0 284.356 3.061 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000293798812 198776798 /nfs/dbraw/zinc/77/67/98/198776798.db2.gz UWOAJISMXFNJTN-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1nc(CN(C)CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000130062063 138399283 /nfs/dbraw/zinc/39/92/83/138399283.db2.gz GXEMYPAMSZTZHE-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO Cc1c([C@@H](C)N[C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499751 236086941 /nfs/dbraw/zinc/08/69/41/236086941.db2.gz JORXGUZBENBQCW-IUODEOHRSA-N 1 0 291.395 3.071 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248852782 138554032 /nfs/dbraw/zinc/55/40/32/138554032.db2.gz OYBCMMGIGZDIHJ-SGIREYDYSA-N 1 0 290.363 3.203 20 5 CGBDRO CCSCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000283545259 138577258 /nfs/dbraw/zinc/57/72/58/138577258.db2.gz OSUNCOAZSUWGTQ-LLVKDONJSA-N 1 0 268.382 3.389 20 5 CGBDRO CN(CC1([NH+](C)C)CCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432180374 236687892 /nfs/dbraw/zinc/68/78/92/236687892.db2.gz VWQAPYSUTKSHOO-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO CC1(C)CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000341185116 215865766 /nfs/dbraw/zinc/86/57/66/215865766.db2.gz JBACKLNYCQMCOE-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccc(N)c2)cc1[N+](=O)[O-] ZINC000436489224 237112661 /nfs/dbraw/zinc/11/26/61/237112661.db2.gz UNJRJAMJPRRBCB-GFCCVEGCSA-N 1 0 285.347 3.336 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1(F)CCC1 ZINC000342196538 216255677 /nfs/dbraw/zinc/25/56/77/216255677.db2.gz GSIWXWMYQPNESH-UHFFFAOYSA-N 1 0 296.342 3.365 20 5 CGBDRO CC(C)[NH+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000180456224 189256747 /nfs/dbraw/zinc/25/67/47/189256747.db2.gz SBTMUAYOOKMBKA-UHFFFAOYSA-N 1 0 294.351 3.080 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1c(C)cccc1[N+](=O)[O-] ZINC000301529618 201050605 /nfs/dbraw/zinc/05/06/05/201050605.db2.gz OTIRKPYDFFAPBL-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000301559199 201068701 /nfs/dbraw/zinc/06/87/01/201068701.db2.gz JOTUOCUALFEUDN-OLZOCXBDSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000301559196 201069703 /nfs/dbraw/zinc/06/97/03/201069703.db2.gz JOTUOCUALFEUDN-CHWSQXEVSA-N 1 0 277.368 3.188 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000183039569 189344201 /nfs/dbraw/zinc/34/42/01/189344201.db2.gz PZVHORCWJBFYMD-ZJUUUORDSA-N 1 0 277.324 3.260 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301811108 201211777 /nfs/dbraw/zinc/21/17/77/201211777.db2.gz XSQISEFSCBMREX-ZJUUUORDSA-N 1 0 299.321 3.158 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184584022 189390334 /nfs/dbraw/zinc/39/03/34/189390334.db2.gz UQLNGJFPRNIDAY-STQMWFEESA-N 1 0 278.352 3.142 20 5 CGBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1 ZINC000301998006 201292403 /nfs/dbraw/zinc/29/24/03/201292403.db2.gz QLOJARRBYNVWCR-DLBZAZTESA-N 1 0 297.358 3.452 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C(CF)CF ZINC000449382986 239371062 /nfs/dbraw/zinc/37/10/62/239371062.db2.gz ZNOYSRMNHDUJQS-BXUZGUMPSA-N 1 0 298.333 3.203 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000120205260 370747201 /nfs/dbraw/zinc/74/72/01/370747201.db2.gz ZLAUUVRXPCOALK-YDHLFZDLSA-N 1 0 292.379 3.105 20 5 CGBDRO COc1cc(C[NH2+][C@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000451946088 240383457 /nfs/dbraw/zinc/38/34/57/240383457.db2.gz KNPFBHLSEASONP-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000459642996 242160639 /nfs/dbraw/zinc/16/06/39/242160639.db2.gz HQBMKTICQDRSLR-OKILXGFUSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461966130 242320295 /nfs/dbraw/zinc/32/02/95/242320295.db2.gz ODPLAIVVYIXNAW-NEPJUHHUSA-N 1 0 295.358 3.327 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CC1 ZINC000468637303 242649653 /nfs/dbraw/zinc/64/96/53/242649653.db2.gz HVRHBHQFFXPXIU-FMIVXFBMSA-N 1 0 260.337 3.388 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478481392 243077807 /nfs/dbraw/zinc/07/78/07/243077807.db2.gz POVVTBKPLPEYGU-GDBMZVCRSA-N 1 0 292.379 3.196 20 5 CGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000343476673 216789519 /nfs/dbraw/zinc/78/95/19/216789519.db2.gz VLCJEULYUXDCEL-IJVDHGTGSA-N 1 0 290.363 3.109 20 5 CGBDRO CC(C)[NH+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000020086727 368797415 /nfs/dbraw/zinc/79/74/15/368797415.db2.gz ZCPWHBTUPKCZGS-AWEZNQCLSA-N 1 0 293.411 3.364 20 5 CGBDRO CC(C)[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037117811 369063299 /nfs/dbraw/zinc/06/32/99/369063299.db2.gz IOTIHHADYUXQGS-CYBMUJFWSA-N 1 0 291.395 3.118 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCCCCC1 ZINC000037388566 369082880 /nfs/dbraw/zinc/08/28/80/369082880.db2.gz QGPRMQPTGFJUST-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO COc1ccc(C[NH2+]Cc2cccc(C)c2)cc1[N+](=O)[O-] ZINC000037871858 369121460 /nfs/dbraw/zinc/12/14/60/369121460.db2.gz ODDQHXXNVNPQEV-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CCOc1cc(C[N@H+](C)C[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000492721071 244013877 /nfs/dbraw/zinc/01/38/77/244013877.db2.gz JQCOKEJXCBBIPG-LBPRGKRZSA-N 1 0 280.368 3.471 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719859 244014484 /nfs/dbraw/zinc/01/44/84/244014484.db2.gz GCYTWPGKBFKVLB-QWHCGFSZSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775507 369108941 /nfs/dbraw/zinc/10/89/41/369108941.db2.gz FDIKOKXJJXYMMW-LLVKDONJSA-N 1 0 272.304 3.151 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775098 369164132 /nfs/dbraw/zinc/16/41/32/369164132.db2.gz VUHZRTILMHFSHS-ZBFHGGJFSA-N 1 0 294.395 3.433 20 5 CGBDRO CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2F)CC(C)(C)[NH2+]1 ZINC000042097488 369200406 /nfs/dbraw/zinc/20/04/06/369200406.db2.gz IPJSNKMSBLDULY-UHFFFAOYSA-N 1 0 295.358 3.455 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C2(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000538553522 288577166 /nfs/dbraw/zinc/57/71/66/288577166.db2.gz HNDYGHIXTTUCHS-LLVKDONJSA-N 1 0 260.337 3.496 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC=CCC2)cs1 ZINC000045629252 369282538 /nfs/dbraw/zinc/28/25/38/369282538.db2.gz VQGIPMRQWOWWKX-JTQLQIEISA-N 1 0 252.339 3.102 20 5 CGBDRO CC[NH2+]Cc1nc(-c2ccc(C)c([N+](=O)[O-])c2)cs1 ZINC000053294302 369481787 /nfs/dbraw/zinc/48/17/87/369481787.db2.gz IEPWYLOCAPAUAE-UHFFFAOYSA-N 1 0 277.349 3.136 20 5 CGBDRO CC(C)COC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000054321969 369500521 /nfs/dbraw/zinc/50/05/21/369500521.db2.gz TTWXFHBGSDJRKI-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO CC(C)COC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000054321979 369501115 /nfs/dbraw/zinc/50/11/15/369501115.db2.gz BFQVAYKMFJVFGF-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000054128204 369495620 /nfs/dbraw/zinc/49/56/20/369495620.db2.gz QFMCBZLCMPYGRA-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276293614 193274826 /nfs/dbraw/zinc/27/48/26/193274826.db2.gz ILQZJFMQHDXXBG-NSHDSACASA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000061588487 369602386 /nfs/dbraw/zinc/60/23/86/369602386.db2.gz YDYMGYPNSIITON-CMPLNLGQSA-N 1 0 266.366 3.141 20 5 CGBDRO CCOC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000072976190 369846688 /nfs/dbraw/zinc/84/66/88/369846688.db2.gz IJDCBAGQJAOXEB-AWEZNQCLSA-N 1 0 292.379 3.152 20 5 CGBDRO CC[C@H](COC)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000079737442 369976776 /nfs/dbraw/zinc/97/67/76/369976776.db2.gz VAVHLZPHBJQOIZ-OCCSQVGLSA-N 1 0 266.341 3.061 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000134558532 371350115 /nfs/dbraw/zinc/35/01/15/371350115.db2.gz LDVJYYUUHZVGQA-NSHDSACASA-N 1 0 286.422 3.374 20 5 CGBDRO CCSCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000135292391 371410822 /nfs/dbraw/zinc/41/08/22/371410822.db2.gz FGRBPXNEWSPBRJ-LLVKDONJSA-N 1 0 268.382 3.216 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135452497 371427912 /nfs/dbraw/zinc/42/79/12/371427912.db2.gz SANFRPAFWJMWOQ-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000149616619 371529498 /nfs/dbraw/zinc/52/94/98/371529498.db2.gz ADPMXGHSJMWGRF-AAEUAGOBSA-N 1 0 280.393 3.449 20 5 CGBDRO CC(C)OCCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344190110 217089987 /nfs/dbraw/zinc/08/99/87/217089987.db2.gz RAAXKGSSDPVLRP-ZDUSSCGKSA-N 1 0 280.368 3.403 20 5 CGBDRO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291101914 372116236 /nfs/dbraw/zinc/11/62/36/372116236.db2.gz DTZKGMQXVOYDNG-HOTGVXAUSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc(NC2CC[NH+](C3CC3)CC2)c(F)cc1[N+](=O)[O-] ZINC000290880530 372068611 /nfs/dbraw/zinc/06/86/11/372068611.db2.gz BVKXKTIYLDKFOX-UHFFFAOYSA-N 1 0 293.342 3.081 20 5 CGBDRO CO[C@@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000291048987 372104000 /nfs/dbraw/zinc/10/40/00/372104000.db2.gz MROXRHLSDFHDGP-AWEZNQCLSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000159581138 372157431 /nfs/dbraw/zinc/15/74/31/372157431.db2.gz YCXNBCWANFUOMZ-VXGBXAGGSA-N 1 0 280.393 3.449 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000428471559 372216787 /nfs/dbraw/zinc/21/67/87/372216787.db2.gz XZSIUGKFUOXNPY-CQSZACIVSA-N 1 0 292.379 3.065 20 5 CGBDRO CC(C)CCOCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261976 372331809 /nfs/dbraw/zinc/33/18/09/372331809.db2.gz DDNRVCYRQFLGJY-UHFFFAOYSA-N 1 0 294.395 3.482 20 5 CGBDRO CCOCC(C)(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000293344618 372361200 /nfs/dbraw/zinc/36/12/00/372361200.db2.gz SMPGLOUEWGAMGR-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293279198 372344556 /nfs/dbraw/zinc/34/45/56/372344556.db2.gz CUFAJQVAQYYVRT-SECBINFHSA-N 1 0 275.352 3.016 20 5 CGBDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000429462045 372370170 /nfs/dbraw/zinc/37/01/70/372370170.db2.gz OTFHCBMFSGPPLX-MRVPVSSYSA-N 1 0 256.252 3.043 20 5 CGBDRO CCCC[N@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163509363 372475835 /nfs/dbraw/zinc/47/58/35/372475835.db2.gz SOYQEIWLQJJSNI-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO COC1(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000293699870 372453471 /nfs/dbraw/zinc/45/34/71/372453471.db2.gz CQMRIUZXPMCJDU-GFCCVEGCSA-N 1 0 278.352 3.205 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000433810003 372636083 /nfs/dbraw/zinc/63/60/83/372636083.db2.gz CHBGNADKXRUQQT-ZDUSSCGKSA-N 1 0 293.342 3.163 20 5 CGBDRO Cc1nocc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000295276957 372724640 /nfs/dbraw/zinc/72/46/40/372724640.db2.gz IDKNCXFUWULFPP-UHFFFAOYSA-N 1 0 289.335 3.302 20 5 CGBDRO COc1ccc(C[N@H+](C)C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353448738 220088713 /nfs/dbraw/zinc/08/87/13/220088713.db2.gz ORXDEPQXNAFWPT-ZDUSSCGKSA-N 1 0 290.363 3.392 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296444747 373136783 /nfs/dbraw/zinc/13/67/83/373136783.db2.gz MNIVYFYEYVLZIK-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000174872526 373375809 /nfs/dbraw/zinc/37/58/09/373375809.db2.gz UNRLJHFDXQMSOB-CQSZACIVSA-N 1 0 294.399 3.082 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531437 373445899 /nfs/dbraw/zinc/44/58/99/373445899.db2.gz RCYJSVFZVOKIJA-HZPDHXFCSA-N 1 0 292.379 3.113 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(CCC2)C1 ZINC000176937850 373643837 /nfs/dbraw/zinc/64/38/37/373643837.db2.gz RAYRTLBLSAAULK-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000301100867 373661446 /nfs/dbraw/zinc/66/14/46/373661446.db2.gz ONFAEXYHCBTDMF-NEPJUHHUSA-N 1 0 295.358 3.266 20 5 CGBDRO CC(C)C[C@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000301113916 373665055 /nfs/dbraw/zinc/66/50/55/373665055.db2.gz UKVWJHJPHLVZQT-LLVKDONJSA-N 1 0 283.347 3.122 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449172814 373668612 /nfs/dbraw/zinc/66/86/12/373668612.db2.gz MMABYCQELKCSAR-KGLIPLIRSA-N 1 0 299.374 3.142 20 5 CGBDRO C[N@H+](CCNc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000301128484 373671427 /nfs/dbraw/zinc/67/14/27/373671427.db2.gz RYKBOZOGEPMAIV-UHFFFAOYSA-N 1 0 277.368 3.271 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449484002 373774171 /nfs/dbraw/zinc/77/41/71/373774171.db2.gz KYQZDJROXHRWSO-FROLJDDGSA-N 1 0 260.337 3.244 20 5 CGBDRO CC[C@@](C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000449471344 373755112 /nfs/dbraw/zinc/75/51/12/373755112.db2.gz CDQRSKNEYYUVDP-VIHMKRCTSA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310197203 374211034 /nfs/dbraw/zinc/21/10/34/374211034.db2.gz RIKAKMDWEBWGSJ-PELKAZGASA-N 1 0 254.717 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC000182227603 374240341 /nfs/dbraw/zinc/24/03/41/374240341.db2.gz HQBQPJMKFWJFJK-PHIMTYICSA-N 1 0 280.755 3.480 20 5 CGBDRO COCC1(C)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000330662923 374488238 /nfs/dbraw/zinc/48/82/38/374488238.db2.gz WQMGMAAUDXLCNV-CYBMUJFWSA-N 1 0 292.379 3.404 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000472638477 375030042 /nfs/dbraw/zinc/03/00/42/375030042.db2.gz PMPYQXPYPBEOCZ-AWEZNQCLSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000187992682 375135353 /nfs/dbraw/zinc/13/53/53/375135353.db2.gz IHQQTYSDYHTRSQ-DAXOMENPSA-N 1 0 292.379 3.187 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000487977025 375290497 /nfs/dbraw/zinc/29/04/97/375290497.db2.gz FMFLQOKXPCRBSX-CZUORRHYSA-N 1 0 292.379 3.232 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000519521465 375842193 /nfs/dbraw/zinc/84/21/93/375842193.db2.gz AFXVXEWMLACBSI-PEGIJTEDSA-N 1 0 298.770 3.294 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H](F)C1 ZINC000520428120 375854811 /nfs/dbraw/zinc/85/48/11/375854811.db2.gz LEYXXPDDVLDQPD-CWSCBRNRSA-N 1 0 264.300 3.062 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193347780 375864925 /nfs/dbraw/zinc/86/49/25/375864925.db2.gz LTCLOWFTGCFWIA-XNRPHZJLSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420409848 296240961 /nfs/dbraw/zinc/24/09/61/296240961.db2.gz WILHXBZKDRPVTE-GXTWGEPZSA-N 1 0 297.358 3.046 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCSC2)c1 ZINC000226384484 376356198 /nfs/dbraw/zinc/35/61/98/376356198.db2.gz RSCRJWXCRFDGAA-SECBINFHSA-N 1 0 286.784 3.091 20 5 CGBDRO CC[N@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000227347424 376391353 /nfs/dbraw/zinc/39/13/53/376391353.db2.gz YKNPZRLPWQCLFU-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC(C)(C)C ZINC000540724908 376392469 /nfs/dbraw/zinc/39/24/69/376392469.db2.gz KOEVHCFSVJIBJQ-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO Cc1cnccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228659141 376444213 /nfs/dbraw/zinc/44/42/13/376444213.db2.gz HKGINSLDWDHIRT-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(c3ccccc3)CC2)c1 ZINC000263969527 190086936 /nfs/dbraw/zinc/08/69/36/190086936.db2.gz AWJPZNBXLDMOGU-UHFFFAOYSA-N 1 0 268.316 3.374 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1ccco1 ZINC000338713889 376496655 /nfs/dbraw/zinc/49/66/55/376496655.db2.gz PTVRFDJVLUMZRX-ZZXKWVIFSA-N 1 0 272.304 3.033 20 5 CGBDRO C[N@@H+](C/C=C/c1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338955827 376601006 /nfs/dbraw/zinc/60/10/06/376601006.db2.gz RLOQEIHVIUYEHV-HWKANZROSA-N 1 0 297.358 3.178 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000543856893 376685150 /nfs/dbraw/zinc/68/51/50/376685150.db2.gz OOVZCSPXIZXNAM-AOOOYVTPSA-N 1 0 268.744 3.336 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)Cc1cccc(O)c1 ZINC000544605569 376750537 /nfs/dbraw/zinc/75/05/37/376750537.db2.gz BERBQWWAIYKUNE-UHFFFAOYSA-N 1 0 286.331 3.241 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000313087853 249086654 /nfs/dbraw/zinc/08/66/54/249086654.db2.gz MEURUVMXNXLGGO-ZLDLUXBVSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000184658631 249055758 /nfs/dbraw/zinc/05/57/58/249055758.db2.gz YLMPHGPRJUDYKY-JTQLQIEISA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000275017184 249066384 /nfs/dbraw/zinc/06/63/84/249066384.db2.gz LSBFUEFSLKLCAZ-RYUDHWBXSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000515340782 249209257 /nfs/dbraw/zinc/20/92/57/249209257.db2.gz DSNZYOJSQCQTRW-VXGBXAGGSA-N 1 0 280.393 3.307 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000342609580 377689506 /nfs/dbraw/zinc/68/95/06/377689506.db2.gz VBNRUJXIAIXJQJ-UKRRQHHQSA-N 1 0 292.379 3.465 20 5 CGBDRO CN(C/C=C\c1ccccc1[N+](=O)[O-])Cc1cscn1 ZINC000255865449 377782669 /nfs/dbraw/zinc/78/26/69/377782669.db2.gz AEWREXHBTYRLKE-XQRVVYSFSA-N 1 0 289.360 3.197 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]Cc2ccccc21 ZINC000261925214 377869746 /nfs/dbraw/zinc/86/97/46/377869746.db2.gz IOHBZMIYQUFGIV-ZDUSSCGKSA-N 1 0 297.358 3.266 20 5 CGBDRO CSCCC[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000343661433 378058663 /nfs/dbraw/zinc/05/86/63/378058663.db2.gz QLNZZSZJWUYVPO-UHFFFAOYSA-N 1 0 268.382 3.088 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000343940189 378138527 /nfs/dbraw/zinc/13/85/27/378138527.db2.gz DKACSBOASVCVJN-SNVBAGLBSA-N 1 0 299.321 3.159 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000269024410 378175282 /nfs/dbraw/zinc/17/52/82/378175282.db2.gz CGWQKJBGFDMTDB-GYSYKLTISA-N 1 0 266.341 3.059 20 5 CGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000580797974 378259324 /nfs/dbraw/zinc/25/93/24/378259324.db2.gz RUTBNMKZRSYQIG-NSHDSACASA-N 1 0 287.363 3.397 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@]2(C)CCCO)cccc1[N+](=O)[O-] ZINC000271184983 378474905 /nfs/dbraw/zinc/47/49/05/378474905.db2.gz IWKXMGPYMCKJQR-MRXNPFEDSA-N 1 0 292.379 3.030 20 5 CGBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235126 378854493 /nfs/dbraw/zinc/85/44/93/378854493.db2.gz BPQNRIWRUDSKNU-SKDRFNHKSA-N 1 0 288.269 3.368 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000276881215 379012631 /nfs/dbraw/zinc/01/26/31/379012631.db2.gz LAGKGSNUTWULCG-GJZGRUSLSA-N 1 0 294.395 3.431 20 5 CGBDRO COC1(C[C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000277006332 379044057 /nfs/dbraw/zinc/04/40/57/379044057.db2.gz BFWREWGYNWKUAB-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CO[C@@H](C)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000348835767 379073538 /nfs/dbraw/zinc/07/35/38/379073538.db2.gz UMOITURFLBBBQE-LBPRGKRZSA-N 1 0 280.368 3.185 20 5 CGBDRO CC1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000278718771 194120126 /nfs/dbraw/zinc/12/01/26/194120126.db2.gz PHZFYQHLNCSOEP-UHFFFAOYSA-N 1 0 288.351 3.139 20 5 CGBDRO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000266552429 190266743 /nfs/dbraw/zinc/26/67/43/190266743.db2.gz USNFUKBTZKZCQM-YNEHKIRRSA-N 1 0 278.352 3.155 20 5 CGBDRO CCC[C@H](O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279052201 379411471 /nfs/dbraw/zinc/41/14/71/379411471.db2.gz KFKLQMLTCLUECO-WFASDCNBSA-N 1 0 292.379 3.068 20 5 CGBDRO Cc1cc(N[C@@H]2CC[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000380341334 379863470 /nfs/dbraw/zinc/86/34/70/379863470.db2.gz YMDKRSYVMVVIME-TVQRCGJNSA-N 1 0 271.320 3.084 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CCC[NH+]1CCCC1 ZINC000281217647 379823479 /nfs/dbraw/zinc/82/34/79/379823479.db2.gz DQAANMSCDXQALV-AWEZNQCLSA-N 1 0 291.395 3.074 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000282411797 379914468 /nfs/dbraw/zinc/91/44/68/379914468.db2.gz FYUJJZFCHCPUNX-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352797187 379965827 /nfs/dbraw/zinc/96/58/27/379965827.db2.gz ICOZGDBOJIBQQP-PELKAZGASA-N 1 0 286.784 3.089 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352797188 379965906 /nfs/dbraw/zinc/96/59/06/379965906.db2.gz ICOZGDBOJIBQQP-PRHODGIISA-N 1 0 286.784 3.089 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000353110381 380119637 /nfs/dbraw/zinc/11/96/37/380119637.db2.gz LRWVIBFVSJLZOS-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000354739468 380546278 /nfs/dbraw/zinc/54/62/78/380546278.db2.gz YRCCWZZOBAEVTM-AWEZNQCLSA-N 1 0 292.379 3.065 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348164184 218483368 /nfs/dbraw/zinc/48/33/68/218483368.db2.gz BGVVIRXQTWMYSZ-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO C[C@H](O)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417330365 380594789 /nfs/dbraw/zinc/59/47/89/380594789.db2.gz KUQCTXDBVDRHHH-BLLLJJGKSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417364300 380609442 /nfs/dbraw/zinc/60/94/42/380609442.db2.gz MPVWMKIPOMDTGG-JSGCOSHPSA-N 1 0 260.337 3.436 20 5 CGBDRO COCCCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000418142805 380712239 /nfs/dbraw/zinc/71/22/39/380712239.db2.gz HWSILWYYXJYWSK-KAMYIIQDSA-N 1 0 292.379 3.357 20 5 CGBDRO CC(C)([NH2+]CCOCC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000419297331 380797527 /nfs/dbraw/zinc/79/75/27/380797527.db2.gz YXXZGFHTGQOCNB-UHFFFAOYSA-N 1 0 292.379 3.236 20 5 CGBDRO CC[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421386092 380931837 /nfs/dbraw/zinc/93/18/37/380931837.db2.gz RBOCFYFYNUFZFW-NWDGAFQWSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000357725815 381265496 /nfs/dbraw/zinc/26/54/96/381265496.db2.gz DJUNHYMPEUUDCQ-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO CCC(CC)[C@@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000360287302 381506322 /nfs/dbraw/zinc/50/63/22/381506322.db2.gz SXVAJWBKTAHDPY-CYBMUJFWSA-N 1 0 294.399 3.077 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361315420 381689068 /nfs/dbraw/zinc/68/90/68/381689068.db2.gz KKKDTVWXCQXNPS-CVEARBPZSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@@H]1CCSCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000361647676 381857901 /nfs/dbraw/zinc/85/79/01/381857901.db2.gz ZSJWNCONWQVDLR-RYWCDNDXSA-N 1 0 292.404 3.435 20 5 CGBDRO CC[NH+](CC)CCSCc1ccc([N+](=O)[O-])cc1OC ZINC000362338243 381947447 /nfs/dbraw/zinc/94/74/47/381947447.db2.gz CMIGRHPWXRJNLZ-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000362435584 381990952 /nfs/dbraw/zinc/99/09/52/381990952.db2.gz DLYQAAQXYAQMFO-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1cc(N2CCC(c3c[nH]cn3)CC2)ccc1[N+](=O)[O-] ZINC000364906419 382278456 /nfs/dbraw/zinc/27/84/56/382278456.db2.gz RYRUXQNOIJVYCV-UHFFFAOYSA-N 1 0 286.335 3.010 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280969453 195051098 /nfs/dbraw/zinc/05/10/98/195051098.db2.gz LFHZTJWZRDYXHN-SWLSCSKDSA-N 1 0 292.379 3.105 20 5 CGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775810 220321260 /nfs/dbraw/zinc/32/12/60/220321260.db2.gz PDFRGWMLHXYCFD-CABCVRRESA-N 1 0 292.379 3.230 20 5 CGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775812 220322872 /nfs/dbraw/zinc/32/28/72/220322872.db2.gz PDFRGWMLHXYCFD-HUUCEWRRSA-N 1 0 292.379 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCCC1)CC2 ZINC000342945625 285142011 /nfs/dbraw/zinc/14/20/11/285142011.db2.gz YROPLIHCCJWDCS-UHFFFAOYSA-N 1 0 260.337 3.143 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344069309 285155723 /nfs/dbraw/zinc/15/57/23/285155723.db2.gz QZTVDCUWWAXVOL-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000287421324 196853408 /nfs/dbraw/zinc/85/34/08/196853408.db2.gz KBIOUXFKCZNWDD-YDHLFZDLSA-N 1 0 292.379 3.226 20 5 CGBDRO COC[C@@]1(C)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567334 285321994 /nfs/dbraw/zinc/32/19/94/285321994.db2.gz CXNCCMIWCCBSDQ-DOMZBBRYSA-N 1 0 278.352 3.014 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000281645517 195319869 /nfs/dbraw/zinc/31/98/69/195319869.db2.gz MPOZMLYGILPLDF-SNVBAGLBSA-N 1 0 270.279 3.120 20 5 CGBDRO Cc1ccc(C[NH2+]CCCCOC(C)C)cc1[N+](=O)[O-] ZINC000228565741 130869591 /nfs/dbraw/zinc/86/95/91/130869591.db2.gz DIIVFTGSTOQGAL-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000105447664 392289543 /nfs/dbraw/zinc/28/95/43/392289543.db2.gz YOUDOEQTHYFXOF-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO Cc1ccnc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000285983264 392360452 /nfs/dbraw/zinc/36/04/52/392360452.db2.gz GRIWUSGTRKMRJK-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000361938618 392369153 /nfs/dbraw/zinc/36/91/53/392369153.db2.gz NCFRTFYFSGUXQF-SCDSUCTJSA-N 1 0 280.393 3.448 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000361938615 392370131 /nfs/dbraw/zinc/37/01/31/392370131.db2.gz NCFRTFYFSGUXQF-MPKXVKKWSA-N 1 0 280.393 3.448 20 5 CGBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000158131094 392556566 /nfs/dbraw/zinc/55/65/66/392556566.db2.gz DCENVCCJHPKOGD-AWEZNQCLSA-N 1 0 294.399 3.082 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000505595528 392676582 /nfs/dbraw/zinc/67/65/82/392676582.db2.gz DVFLXWMDTBCJCJ-LLVKDONJSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000505577681 392676755 /nfs/dbraw/zinc/67/67/55/392676755.db2.gz ZZKNJZWZJPBHSC-VXGBXAGGSA-N 1 0 295.358 3.266 20 5 CGBDRO C[C@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178658319 392683776 /nfs/dbraw/zinc/68/37/76/392683776.db2.gz DQPYROKXIPDSFJ-HJPIBITLSA-N 1 0 290.363 3.059 20 5 CGBDRO C[C@H]1C[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671985 392766543 /nfs/dbraw/zinc/76/65/43/392766543.db2.gz SDJBZPVMYYRLLA-IUCAKERBSA-N 1 0 270.279 3.103 20 5 CGBDRO CC[C@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000181133284 392721296 /nfs/dbraw/zinc/72/12/96/392721296.db2.gz MMHZYNNDAJWFOW-LBPRGKRZSA-N 1 0 278.352 3.237 20 5 CGBDRO CCC[N@H+](CCOc1ccc(OC)cc1[N+](=O)[O-])C(C)C ZINC000519760214 392892490 /nfs/dbraw/zinc/89/24/90/392892490.db2.gz QMKNAYVKXVMOQC-UHFFFAOYSA-N 1 0 296.367 3.103 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000195667308 392973156 /nfs/dbraw/zinc/97/31/56/392973156.db2.gz YVQKWMLEBKBUJM-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000546936077 393083976 /nfs/dbraw/zinc/08/39/76/393083976.db2.gz PHHYNRHJNQFFQB-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923473 393072503 /nfs/dbraw/zinc/07/25/03/393072503.db2.gz KNOSFDRECNQPJH-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1C[C@@H]1C ZINC000468635130 393156475 /nfs/dbraw/zinc/15/64/75/393156475.db2.gz MCEWCSYUYQDVCC-LIKCUEIDSA-N 1 0 260.337 3.244 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1C ZINC000468656428 393156545 /nfs/dbraw/zinc/15/65/45/393156545.db2.gz VWSMBQPDDOEPNF-LCYFTJDESA-N 1 0 297.358 3.491 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000471798825 393307411 /nfs/dbraw/zinc/30/74/11/393307411.db2.gz NYGNCYWGSDKBIV-MVGYBYKRSA-N 1 0 290.363 3.155 20 5 CGBDRO COCCCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000419391910 393369117 /nfs/dbraw/zinc/36/91/17/393369117.db2.gz XNSWUBPDZMAUMS-UHFFFAOYSA-N 1 0 286.759 3.107 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555456 393478148 /nfs/dbraw/zinc/47/81/48/393478148.db2.gz FJZYIWYESCOEBT-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000430234726 393546642 /nfs/dbraw/zinc/54/66/42/393546642.db2.gz BDAWKLUPYGNNKI-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000430213341 393541096 /nfs/dbraw/zinc/54/10/96/393541096.db2.gz BKEGAMRHZZTVHT-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1CSCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000488405914 393499944 /nfs/dbraw/zinc/49/99/44/393499944.db2.gz JWDKPDDNPJFDLQ-AGLBCWCQSA-N 1 0 292.404 3.293 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@@H](C)c1ccco1 ZINC000430229993 393544552 /nfs/dbraw/zinc/54/45/52/393544552.db2.gz XFCGVQXJGFIWSV-NSHDSACASA-N 1 0 290.319 3.389 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000357718554 393514966 /nfs/dbraw/zinc/51/49/66/393514966.db2.gz WOKAQQDXSPJMAZ-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[C@@H]1CC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430185100 393532990 /nfs/dbraw/zinc/53/29/90/393532990.db2.gz CGXIQMYXQQBTFZ-BRADTZPFSA-N 1 0 260.337 3.482 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1C ZINC000430192389 393535032 /nfs/dbraw/zinc/53/50/32/393535032.db2.gz BSNSROTXGQFWJI-LBPRGKRZSA-N 1 0 278.352 3.368 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000430199161 393538112 /nfs/dbraw/zinc/53/81/12/393538112.db2.gz BBAMHPHKTJLJHV-CYBMUJFWSA-N 1 0 290.363 3.392 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199452 393538336 /nfs/dbraw/zinc/53/83/36/393538336.db2.gz BTILUBZOXGPUKI-SMDDNHRTSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199482 393538393 /nfs/dbraw/zinc/53/83/93/393538393.db2.gz BVIULWIKKAHHHP-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO COc1ccc(C[N@@H+]2CC3(CCC3)C[C@H]2C)cc1[N+](=O)[O-] ZINC000432797316 393641625 /nfs/dbraw/zinc/64/16/25/393641625.db2.gz DOMJMWPDNBODSU-GFCCVEGCSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493237814 393769928 /nfs/dbraw/zinc/76/99/28/393769928.db2.gz NQWPGWXIRFSHOX-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000449576071 393910602 /nfs/dbraw/zinc/91/06/02/393910602.db2.gz ZOENGGXRMPMSPC-UDGJJRABSA-N 1 0 298.346 3.100 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449531646 393885148 /nfs/dbraw/zinc/88/51/48/393885148.db2.gz BYIYLSHUHCZUEW-GOEBONIOSA-N 1 0 290.338 3.354 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000449538111 393888204 /nfs/dbraw/zinc/88/82/04/393888204.db2.gz KEKHNAQRYXWPJI-HOCLYGCPSA-N 1 0 272.348 3.215 20 5 CGBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000501775648 393860518 /nfs/dbraw/zinc/86/05/18/393860518.db2.gz MCKOAVPCNCYPAO-OLZOCXBDSA-N 1 0 262.353 3.115 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451548538 394045677 /nfs/dbraw/zinc/04/56/77/394045677.db2.gz RXFVISOBKYTHLW-LALPHHSUSA-N 1 0 278.352 3.013 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C2CC(C)(F)C2)cccc1[N+](=O)[O-] ZINC000453241853 394217048 /nfs/dbraw/zinc/21/70/48/394217048.db2.gz UUVRZUGDYNZRSY-CDWSIMAYSA-N 1 0 266.316 3.444 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453247669 394218945 /nfs/dbraw/zinc/21/89/45/394218945.db2.gz KNFWBZSUJIJQGU-GOEBONIOSA-N 1 0 292.379 3.377 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000453622927 394260575 /nfs/dbraw/zinc/26/05/75/394260575.db2.gz AZLYSXWUQITFQO-JSGCOSHPSA-N 1 0 292.379 3.375 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H](C)CF)cc1[N+](=O)[O-] ZINC000342207920 397684516 /nfs/dbraw/zinc/68/45/16/397684516.db2.gz UUCFKUWCCAPQJG-SNVBAGLBSA-N 1 0 254.305 3.166 20 5 CGBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000552062177 289157571 /nfs/dbraw/zinc/15/75/71/289157571.db2.gz OVFUQPHWDKKYRX-LSDHHAIUSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000182842941 292296493 /nfs/dbraw/zinc/29/64/93/292296493.db2.gz PLCOJWHFAJPHQK-BBRMVZONSA-N 1 0 290.363 3.077 20 5 CGBDRO COCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000078543901 165131730 /nfs/dbraw/zinc/13/17/30/165131730.db2.gz SJIBEAKHZDVXFY-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000090587894 287103102 /nfs/dbraw/zinc/10/31/02/287103102.db2.gz DCLURZKPPLPVFP-OLZOCXBDSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089890898 165221000 /nfs/dbraw/zinc/22/10/00/165221000.db2.gz GSYRKJMQFGNPPQ-UHFFFAOYSA-N 1 0 275.308 3.092 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094797549 165392347 /nfs/dbraw/zinc/39/23/47/165392347.db2.gz AFHIDBJDAVAWCF-SWLSCSKDSA-N 1 0 278.352 3.123 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119118380 287165292 /nfs/dbraw/zinc/16/52/92/287165292.db2.gz ACWAINNEYZNDSR-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO CCC(CC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284293454 196023897 /nfs/dbraw/zinc/02/38/97/196023897.db2.gz YDNPEBMONZGKOZ-SECBINFHSA-N 1 0 251.330 3.016 20 5 CGBDRO CCC[C@@H]([NH2+]CC(C)(C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126027 171009984 /nfs/dbraw/zinc/00/99/84/171009984.db2.gz IJQXQOJGCAJCIS-OAHLLOKOSA-N 1 0 293.411 3.366 20 5 CGBDRO CC(C)COCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020147384 171033713 /nfs/dbraw/zinc/03/37/13/171033713.db2.gz PLAISXHWJSWVPB-ZDUSSCGKSA-N 1 0 280.368 3.308 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000034995073 171923805 /nfs/dbraw/zinc/92/38/05/171923805.db2.gz YAMLZIKVJZVUEL-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000035677745 172348554 /nfs/dbraw/zinc/34/85/54/172348554.db2.gz ZPPZKNRVRPQITJ-TZMCWYRMSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCCCF)cc1[N+](=O)[O-] ZINC000285479395 196297066 /nfs/dbraw/zinc/29/70/66/196297066.db2.gz CPWKJBOFSXTNFA-LLVKDONJSA-N 1 0 254.305 3.304 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCCCF)cc1[N+](=O)[O-] ZINC000285481102 196298681 /nfs/dbraw/zinc/29/86/81/196298681.db2.gz CPWKJBOFSXTNFA-NSHDSACASA-N 1 0 254.305 3.304 20 5 CGBDRO CCCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCO ZINC000126870047 287275535 /nfs/dbraw/zinc/27/55/35/287275535.db2.gz JTVRZQHTBKQTDE-VQHVLOKHSA-N 1 0 292.379 3.093 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000037319173 173119282 /nfs/dbraw/zinc/11/92/82/173119282.db2.gz VDBMKRJZNZNJEO-GFCCVEGCSA-N 1 0 286.331 3.460 20 5 CGBDRO CCOC1CC(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000285780487 196396646 /nfs/dbraw/zinc/39/66/46/196396646.db2.gz XGLOXTACETZXKF-MOQPWLNLSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000038095915 174109329 /nfs/dbraw/zinc/10/93/29/174109329.db2.gz METQJIUVAUXPCE-JSGCOSHPSA-N 1 0 278.352 3.123 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000044690665 175233537 /nfs/dbraw/zinc/23/35/37/175233537.db2.gz BLHIGQOYXFWIFL-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2csc(C3CC[NH2+]CC3)n2)cc1 ZINC000053252399 175546284 /nfs/dbraw/zinc/54/62/84/175546284.db2.gz HHIJMLHLCLSXPF-UHFFFAOYSA-N 1 0 289.360 3.185 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000071954210 176304387 /nfs/dbraw/zinc/30/43/87/176304387.db2.gz ANHYXAXCQSCWBR-STQMWFEESA-N 1 0 277.368 3.127 20 5 CGBDRO COC1CCC(C)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000355127090 227426110 /nfs/dbraw/zinc/42/61/10/227426110.db2.gz GCELYSHJZDGGSQ-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC23CC3)c(Cl)c1 ZINC000418097381 228034758 /nfs/dbraw/zinc/03/47/58/228034758.db2.gz NNDCSVJNWQAORX-JTQLQIEISA-N 1 0 266.728 3.138 20 5 CGBDRO CC[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295839150 287623685 /nfs/dbraw/zinc/62/36/85/287623685.db2.gz FMVFRUUUSYSMKZ-FZMZJTMJSA-N 1 0 262.353 3.304 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000041677496 270031515 /nfs/dbraw/zinc/03/15/15/270031515.db2.gz RROGHGSBVSJVDL-SNVBAGLBSA-N 1 0 285.775 3.390 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691547 270038954 /nfs/dbraw/zinc/03/89/54/270038954.db2.gz VZVOBGQBHCLZFB-KGLIPLIRSA-N 1 0 293.411 3.284 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000085385681 270043538 /nfs/dbraw/zinc/04/35/38/270043538.db2.gz YBMLZOVWEAXPFF-NILFDRSVSA-N 1 0 292.379 3.449 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(Cc3ccccc3)CC2)c1 ZINC000187491510 270068914 /nfs/dbraw/zinc/06/89/14/270068914.db2.gz QHWXPQOFLQFTFI-UHFFFAOYSA-N 1 0 282.343 3.460 20 5 CGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])CC1(O)CCCCCC1 ZINC000192707127 270077485 /nfs/dbraw/zinc/07/74/85/270077485.db2.gz JTIFMXRSMYGARM-UHFFFAOYSA-N 1 0 292.379 3.112 20 5 CGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303028928 270091798 /nfs/dbraw/zinc/09/17/98/270091798.db2.gz SXXAXAREXCJPST-MGPQQGTHSA-N 1 0 291.395 3.373 20 5 CGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1C ZINC000519811010 270098349 /nfs/dbraw/zinc/09/83/49/270098349.db2.gz ARUKGPTUVMYFLF-UHIISALHSA-N 1 0 287.363 3.253 20 5 CGBDRO CC(C)OC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000530687016 270202252 /nfs/dbraw/zinc/20/22/52/270202252.db2.gz UAAKNAUETMBYSV-UHFFFAOYSA-N 1 0 292.379 3.027 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC(C)C ZINC000531948039 270211265 /nfs/dbraw/zinc/21/12/65/270211265.db2.gz NNCIKDOPLXVUMG-ZDUSSCGKSA-N 1 0 280.368 3.369 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000532780096 270219547 /nfs/dbraw/zinc/21/95/47/270219547.db2.gz SMNJJIFITOPBMQ-OLZOCXBDSA-N 1 0 292.379 3.471 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414202472 274038615 /nfs/dbraw/zinc/03/86/15/274038615.db2.gz MVLLSBLUGHCOQM-MLGOLLRUSA-N 1 0 292.379 3.234 20 5 CGBDRO CO[C@@H](C)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433159527 274055320 /nfs/dbraw/zinc/05/53/20/274055320.db2.gz MFKNYPUANJVKGW-XHDPSFHLSA-N 1 0 292.379 3.332 20 5 CGBDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781545 274335457 /nfs/dbraw/zinc/33/54/57/274335457.db2.gz RXEZGYVWBFNWAK-ZYHUDNBSSA-N 1 0 297.786 3.025 20 5 CGBDRO CC(C)[NH2+]C1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000280971346 275656663 /nfs/dbraw/zinc/65/66/63/275656663.db2.gz MBXDFLIKYCSIPS-UHFFFAOYSA-N 1 0 297.786 3.215 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1[N+](=O)[O-] ZINC000513532071 276053811 /nfs/dbraw/zinc/05/38/11/276053811.db2.gz KRXHJBJOTAYNCR-HDJSIYSDSA-N 1 0 292.379 3.111 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268900867 277284964 /nfs/dbraw/zinc/28/49/64/277284964.db2.gz OQFWCZYPLVMOMK-NILFDRSVSA-N 1 0 278.352 3.203 20 5 CGBDRO COCC(C)(C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293661104 277480839 /nfs/dbraw/zinc/48/08/39/277480839.db2.gz LZDTYIRUADQEKY-ZDUSSCGKSA-N 1 0 294.395 3.178 20 5 CGBDRO CS[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052473 278162491 /nfs/dbraw/zinc/16/24/91/278162491.db2.gz AYZNAKCRDUBWFG-AAEUAGOBSA-N 1 0 280.393 3.402 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000132474077 278370133 /nfs/dbraw/zinc/37/01/33/278370133.db2.gz DLBHAUPNAMPIDU-ZYHUDNBSSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000339125594 278394711 /nfs/dbraw/zinc/39/47/11/278394711.db2.gz CYOKNKPXRHQHCW-CYBMUJFWSA-N 1 0 292.379 3.110 20 5 CGBDRO CC(C)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449061579 280223496 /nfs/dbraw/zinc/22/34/96/280223496.db2.gz GRNBHIMVSUNGKC-NEPJUHHUSA-N 1 0 250.342 3.160 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCSC1 ZINC000530365978 288301831 /nfs/dbraw/zinc/30/18/31/288301831.db2.gz JVXLTWDFORZSML-GHMZBOCLSA-N 1 0 266.366 3.059 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000531725674 288343457 /nfs/dbraw/zinc/34/34/57/288343457.db2.gz MLRJLNHKUQSGNN-HZSPNIEDSA-N 1 0 291.395 3.037 20 5 CGBDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532203398 288355543 /nfs/dbraw/zinc/35/55/43/288355543.db2.gz RWIGLZIHKDWHAL-HIFRSBDPSA-N 1 0 291.395 3.038 20 5 CGBDRO CCC(CC)[C@@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000536530863 288483458 /nfs/dbraw/zinc/48/34/58/288483458.db2.gz MTLBJQYNWDPQNE-CQSZACIVSA-N 1 0 294.399 3.077 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153869 288647221 /nfs/dbraw/zinc/64/72/21/288647221.db2.gz LCPMJRWIILEPKJ-HIFRSBDPSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000552246585 289175065 /nfs/dbraw/zinc/17/50/65/289175065.db2.gz YWEHAIIFHPQKTD-KGLIPLIRSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]1C(F)F ZINC000558256674 289483370 /nfs/dbraw/zinc/48/33/70/289483370.db2.gz VAUMCJOJKARJRO-USWWRNFRSA-N 1 0 284.306 3.159 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000459764314 290010764 /nfs/dbraw/zinc/01/07/64/290010764.db2.gz CRDYDXWJHFAZJN-UZGDPCLZSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420401059 290251577 /nfs/dbraw/zinc/25/15/77/290251577.db2.gz KLWBWBWNCIHYBE-DOMZBBRYSA-N 1 0 297.358 3.046 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000168686064 321911072 /nfs/dbraw/zinc/91/10/72/321911072.db2.gz WMEIALCFEMSMBB-DGCLKSJQSA-N 1 0 280.393 3.449 20 5 CGBDRO CCC[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566996824 322146372 /nfs/dbraw/zinc/14/63/72/322146372.db2.gz NIPMTGVNGWSINJ-NSHDSACASA-N 1 0 275.352 3.397 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](Cn2ccc3c2cccc3[N+](=O)[O-])CC1 ZINC000568750765 322220740 /nfs/dbraw/zinc/22/07/40/322220740.db2.gz IJUDCRARXKDWNS-JOCQHMNTSA-N 1 0 287.363 3.315 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1COc1cc(C)[nH+]c(C)c1 ZINC000569536033 322249523 /nfs/dbraw/zinc/24/95/23/322249523.db2.gz HHJWZJSGIURXNZ-UHFFFAOYSA-N 1 0 288.303 3.194 20 5 CGBDRO CCCCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000572305628 322330677 /nfs/dbraw/zinc/33/06/77/322330677.db2.gz VWBQTEOMXBBNQB-UHFFFAOYSA-N 1 0 250.342 3.259 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccsc1 ZINC000572377539 322334504 /nfs/dbraw/zinc/33/45/04/322334504.db2.gz HSZOZLIZCBYZKF-AWEZNQCLSA-N 1 0 288.372 3.476 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000572463454 322338480 /nfs/dbraw/zinc/33/84/80/322338480.db2.gz UGNTXIXDFDGDEW-XUXIUFHCSA-N 1 0 292.379 3.367 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900129 322360719 /nfs/dbraw/zinc/36/07/19/322360719.db2.gz WNNMUHJKGRULNI-BXUZGUMPSA-N 1 0 292.379 3.375 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(C2CC2)CC1 ZINC000576715425 335239027 /nfs/dbraw/zinc/23/90/27/335239027.db2.gz IZIAKRBVWFLPIS-CQSZACIVSA-N 1 0 272.348 3.362 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581064553 336002534 /nfs/dbraw/zinc/00/25/34/336002534.db2.gz OCNZUOZIFKJMDF-CHWSQXEVSA-N 1 0 290.363 3.094 20 5 CGBDRO Cc1cc(OCCC2CC[NH2+]CC2)c(Cl)cc1[N+](=O)[O-] ZINC000383723426 336116959 /nfs/dbraw/zinc/11/69/59/336116959.db2.gz DVRZJGCXGPJKJD-UHFFFAOYSA-N 1 0 298.770 3.325 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000387183823 336187341 /nfs/dbraw/zinc/18/73/41/336187341.db2.gz VPOAVOUQNWZQDR-AWEZNQCLSA-N 1 0 260.337 3.326 20 5 CGBDRO C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423384028 533886555 /nfs/dbraw/zinc/88/65/55/533886555.db2.gz JRGBJPGBWSHZMK-WFASDCNBSA-N 1 0 291.395 3.024 20 5 CGBDRO Cc1cc(N)cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000423480276 533886834 /nfs/dbraw/zinc/88/68/34/533886834.db2.gz PBUGJAXJZJYBIV-ZDUSSCGKSA-N 1 0 299.374 3.206 20 5 CGBDRO CS[C@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090725243 534059874 /nfs/dbraw/zinc/05/98/74/534059874.db2.gz QCUWPXBODIRQMI-RISCZKNCSA-N 1 0 294.420 3.257 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000126175812 534348948 /nfs/dbraw/zinc/34/89/48/534348948.db2.gz ODPNUXRZXNDBLC-STQMWFEESA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163846871 522410867 /nfs/dbraw/zinc/41/08/67/522410867.db2.gz DTVCTBBZILDPNL-UHOFOFEASA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@H]([NH2+][C@@H](COC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000086695622 522709136 /nfs/dbraw/zinc/70/91/36/522709136.db2.gz UHDRVTYLXISVOY-GJZGRUSLSA-N 1 0 280.368 3.307 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000411867504 534887253 /nfs/dbraw/zinc/88/72/53/534887253.db2.gz IZVXJYHRIQXGCU-UHFFFAOYSA-N 1 0 292.404 3.456 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCc2ccco2)cccc1[N+](=O)[O-] ZINC000155970562 525917161 /nfs/dbraw/zinc/91/71/61/525917161.db2.gz TUHQUDAFJJQCAG-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO CC(C)(CNc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000357952906 527182392 /nfs/dbraw/zinc/18/23/92/527182392.db2.gz BSEONONQCNCHIN-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1(O)CCCCC1 ZINC000084440010 527355558 /nfs/dbraw/zinc/35/55/58/527355558.db2.gz RDVBTBWQOKTEHB-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CC=CCC1 ZINC000084440181 527355975 /nfs/dbraw/zinc/35/59/75/527355975.db2.gz HCYPZTNPMHVZMV-LBPRGKRZSA-N 1 0 266.728 3.447 20 5 CGBDRO CCC[N@H+](C)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000425403567 527854334 /nfs/dbraw/zinc/85/43/34/527854334.db2.gz UHFOOYBGUYKTRS-UHFFFAOYSA-N 1 0 287.157 3.199 20 5 CGBDRO CCC[NH+](CCC)CCCNc1ncc([N+](=O)[O-])cc1F ZINC000413117568 528060099 /nfs/dbraw/zinc/06/00/99/528060099.db2.gz JKTFHOQOTOIOEZ-UHFFFAOYSA-N 1 0 298.362 3.053 20 5 CGBDRO CC1=CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000437351292 528101085 /nfs/dbraw/zinc/10/10/85/528101085.db2.gz XZSPLNPHOUYMTN-YVMONPNESA-N 1 0 258.321 3.260 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424181288 528102618 /nfs/dbraw/zinc/10/26/18/528102618.db2.gz BTPUVJCTBFYSQW-AWEZNQCLSA-N 1 0 260.337 3.360 20 5 CGBDRO CC[C@@H]([NH2+]CCN(CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000155868969 529164450 /nfs/dbraw/zinc/16/44/50/529164450.db2.gz XEZNBJJPXFCDOU-MRXNPFEDSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000451819807 535566028 /nfs/dbraw/zinc/56/60/28/535566028.db2.gz BMXHISSYWAVGDQ-ZIAGYGMSSA-N 1 0 291.395 3.072 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451539069 536693145 /nfs/dbraw/zinc/69/31/45/536693145.db2.gz DZTBLBDUYRDECM-LALPHHSUSA-N 1 0 278.352 3.013 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459750668 536955551 /nfs/dbraw/zinc/95/55/51/536955551.db2.gz JLUQLNPXMRMCDA-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000742427921 572581658 /nfs/dbraw/zinc/58/16/58/572581658.db2.gz UFUVWPBHDGDOFE-SNVBAGLBSA-N 1 0 283.759 3.144 20 5 CGBDRO Cc1c(C[NH2+]CC2(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000235962848 618834369 /nfs/dbraw/zinc/83/43/69/618834369.db2.gz MCXXIKCVTZMQEX-UHFFFAOYSA-N 1 0 260.337 3.183 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000236250268 618850616 /nfs/dbraw/zinc/85/06/16/618850616.db2.gz XEYSWNNGVSUYFU-QMMMGPOBSA-N 1 0 299.733 3.036 20 5 CGBDRO CCCSC[C@@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892607741 618872461 /nfs/dbraw/zinc/87/24/61/618872461.db2.gz LVQOHGUSQHSISR-LLVKDONJSA-N 1 0 268.382 3.216 20 5 CGBDRO C[C@@H]([NH2+]CCCCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000180446380 618878736 /nfs/dbraw/zinc/87/87/36/618878736.db2.gz PORDQEJFRXZSJG-CYBMUJFWSA-N 1 0 280.368 3.188 20 5 CGBDRO C[NH+](C)C1(C)CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000894847330 619650806 /nfs/dbraw/zinc/65/08/06/619650806.db2.gz CPQJOKPBRYZHIU-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO COCC[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894892874 619671764 /nfs/dbraw/zinc/67/17/64/619671764.db2.gz AKXXHUOHJGLZHD-SNVBAGLBSA-N 1 0 286.759 3.010 20 5 CGBDRO Cc1cc(F)ncc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896509207 620015790 /nfs/dbraw/zinc/01/57/90/620015790.db2.gz AVTJXAQNHXYACC-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897458934 620339636 /nfs/dbraw/zinc/33/96/36/620339636.db2.gz GHPWXTJOBLGHDS-RISCZKNCSA-N 1 0 262.353 3.477 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461128 620339967 /nfs/dbraw/zinc/33/99/67/620339967.db2.gz LMYDXIIZUWDCMY-RJZRQDKASA-N 1 0 274.364 3.477 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000897463060 620339993 /nfs/dbraw/zinc/33/99/93/620339993.db2.gz ARRXYLMUDVSFOR-NEPJUHHUSA-N 1 0 262.353 3.477 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897460735 620340050 /nfs/dbraw/zinc/34/00/50/620340050.db2.gz VPWOFKATLCMYEG-LLVKDONJSA-N 1 0 290.319 3.090 20 5 CGBDRO CC(C)OC1CC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465580 620340408 /nfs/dbraw/zinc/34/04/08/620340408.db2.gz XQBWXNAZYCLCGC-IYXRBSQSSA-N 1 0 292.379 3.244 20 5 CGBDRO CC(C)OC1CC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465579 620340552 /nfs/dbraw/zinc/34/05/52/620340552.db2.gz XQBWXNAZYCLCGC-HSBZDZAISA-N 1 0 292.379 3.244 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463957 620340563 /nfs/dbraw/zinc/34/05/63/620340563.db2.gz DGLWWTOQTZCIBU-BFHYXJOUSA-N 1 0 292.379 3.103 20 5 CGBDRO COC1CCC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897464004 620340619 /nfs/dbraw/zinc/34/06/19/620340619.db2.gz FEYGMNLWVZYZNH-HSBZDZAISA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463958 620340632 /nfs/dbraw/zinc/34/06/32/620340632.db2.gz DGLWWTOQTZCIBU-MCIONIFRSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@@H](C[NH2+]C1CC(C(F)F)C1)c1ccccc1[N+](=O)[O-] ZINC000897466544 620340981 /nfs/dbraw/zinc/34/09/81/620340981.db2.gz WUHMOWNEBGUALB-WHXUTIOJSA-N 1 0 284.306 3.332 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cc1[N+](=O)[O-] ZINC000897952929 620454420 /nfs/dbraw/zinc/45/44/20/620454420.db2.gz LNQCIIMSCKZARU-MELADBBJSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000927160188 620613833 /nfs/dbraw/zinc/61/38/33/620613833.db2.gz AIDJXZRXJCFSBM-WFASDCNBSA-N 1 0 290.363 3.347 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000042555310 621177406 /nfs/dbraw/zinc/17/74/06/621177406.db2.gz MDDWBFVJPPNZKK-VHSXEESVSA-N 1 0 254.305 3.258 20 5 CGBDRO C[C@@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372333 621277486 /nfs/dbraw/zinc/27/74/86/621277486.db2.gz XDNVEPRZUVJVIX-CHWSQXEVSA-N 1 0 291.395 3.024 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244909 621637252 /nfs/dbraw/zinc/63/72/52/621637252.db2.gz GFQSSUQNWHUQKK-ZIAGYGMSSA-N 1 0 299.374 3.314 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000903245722 621638088 /nfs/dbraw/zinc/63/80/88/621638088.db2.gz ONUNGWATZJWLAX-NFAWXSAZSA-N 1 0 292.379 3.103 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000903288291 621671250 /nfs/dbraw/zinc/67/12/50/621671250.db2.gz WJTAUSJKGITFPF-IVMMDQJWSA-N 1 0 292.379 3.449 20 5 CGBDRO CCCC[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000906532093 622246310 /nfs/dbraw/zinc/24/63/10/622246310.db2.gz ZQACCVAIRKPJDT-UHFFFAOYSA-N 1 0 261.325 3.008 20 5 CGBDRO C[NH+](C)C[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000788067298 625576808 /nfs/dbraw/zinc/57/68/08/625576808.db2.gz LYXLECULNMPRFM-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO CSCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000229251562 623114098 /nfs/dbraw/zinc/11/40/98/623114098.db2.gz WAWHQNYMZWHZJO-UHFFFAOYSA-N 1 0 268.382 3.136 20 5 CGBDRO C[NH+](C)C1(CNc2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000068664605 624745207 /nfs/dbraw/zinc/74/52/07/624745207.db2.gz LNSIUYUKHLQGKB-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO COCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000073651171 625864364 /nfs/dbraw/zinc/86/43/64/625864364.db2.gz DQFJXLDGEGPSBG-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922580164 626014945 /nfs/dbraw/zinc/01/49/45/626014945.db2.gz ABNOSMZFUFAJHX-UPZNUWHASA-N 1 0 278.352 3.011 20 5 CGBDRO CCC[C@@H](O)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000922819745 626051526 /nfs/dbraw/zinc/05/15/26/626051526.db2.gz CSJHJIFBBCVUBF-QSOAKEGCSA-N 1 0 292.379 3.139 20 5 CGBDRO CS[C@@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162674771 626077396 /nfs/dbraw/zinc/07/73/96/626077396.db2.gz BRKOBRDOPOXRCM-QMMMGPOBSA-N 1 0 274.773 3.089 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000754516788 626573916 /nfs/dbraw/zinc/57/39/16/626573916.db2.gz RHEMBWJTPLGMPC-OCCSQVGLSA-N 1 0 298.770 3.295 20 5 CGBDRO CCC[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244199 626609578 /nfs/dbraw/zinc/60/95/78/626609578.db2.gz DTYBWWGMBQNFRJ-GOEBONIOSA-N 1 0 292.379 3.283 20 5 CGBDRO C[NH+](C)CCSCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000756921247 626741562 /nfs/dbraw/zinc/74/15/62/626741562.db2.gz HOGHSHOXFPJJRD-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000839639049 626773573 /nfs/dbraw/zinc/77/35/73/626773573.db2.gz LITJIMBWSFDTSI-BONVTDFDSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC=CO1)CCC2 ZINC000774366654 627982158 /nfs/dbraw/zinc/98/21/58/627982158.db2.gz GSMAWOOSUQJPMI-GOEBONIOSA-N 1 0 288.347 3.255 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccoc1 ZINC000778114895 628326567 /nfs/dbraw/zinc/32/65/67/628326567.db2.gz HGEKBZYNBCWLJP-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO C[C@H]1CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000783285195 628698955 /nfs/dbraw/zinc/69/89/55/628698955.db2.gz GJJCCDKYANOCSW-CABZTGNLSA-N 1 0 268.744 3.179 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC=CC2)cc1Cl ZINC000783640891 628734752 /nfs/dbraw/zinc/73/47/52/628734752.db2.gz KQOLZAGMONMEPY-UHFFFAOYSA-N 1 0 252.701 3.056 20 5 CGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000796530611 629796658 /nfs/dbraw/zinc/79/66/58/629796658.db2.gz IGAYJXHCJGIXLN-CABCVRRESA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718418 630789785 /nfs/dbraw/zinc/78/97/85/630789785.db2.gz JTYHAXYTETWZJR-KCJUWKMLSA-N 1 0 254.717 3.136 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576718 631798206 /nfs/dbraw/zinc/79/82/06/631798206.db2.gz WYRGUUKGYZJAIQ-RISCZKNCSA-N 1 0 297.358 3.168 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000865873671 632933646 /nfs/dbraw/zinc/93/36/46/632933646.db2.gz GEUPGYGRCMSOTB-OSEPDQNXSA-N 1 0 292.379 3.137 20 5 CGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865883365 632940354 /nfs/dbraw/zinc/94/03/54/632940354.db2.gz CWGDGBIYIDHLCM-LLVKDONJSA-N 1 0 299.321 3.063 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C1CC1 ZINC000866218693 633033589 /nfs/dbraw/zinc/03/35/89/633033589.db2.gz WGWNRIHBJFMNSH-NXEZZACHSA-N 1 0 266.316 3.053 20 5 CGBDRO Cc1occc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866246526 633043591 /nfs/dbraw/zinc/04/35/91/633043591.db2.gz LNPUDMRXXMHSJX-JTQLQIEISA-N 1 0 292.310 3.356 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1(C2CC2)CC1 ZINC000866321985 633081159 /nfs/dbraw/zinc/08/11/59/633081159.db2.gz UZZSXRGXHIFATI-SNVBAGLBSA-N 1 0 278.327 3.197 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000866346942 633092204 /nfs/dbraw/zinc/09/22/04/633092204.db2.gz DXVWDPLQOKPLDA-MRVPVSSYSA-N 1 0 288.269 3.052 20 5 CGBDRO CC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824702380 633276977 /nfs/dbraw/zinc/27/69/77/633276977.db2.gz MDKFNRPJLXAIJA-ONEGZZNKSA-N 1 0 254.717 3.304 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](CF)C1 ZINC000880299786 635969284 /nfs/dbraw/zinc/96/92/84/635969284.db2.gz XSYPUCAFHBIJDC-VXGBXAGGSA-N 1 0 266.316 3.256 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)cc1Cl ZINC000827507145 633495383 /nfs/dbraw/zinc/49/53/83/633495383.db2.gz VOYUJYUBDDKQNC-GHMZBOCLSA-N 1 0 266.728 3.090 20 5 CGBDRO Cc1ccc(OCCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000830290988 633847564 /nfs/dbraw/zinc/84/75/64/633847564.db2.gz HFXZXWWZVZILCN-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000831170034 633921990 /nfs/dbraw/zinc/92/19/90/633921990.db2.gz MYSUIQCRXQUXMT-LSDHHAIUSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018818 633939525 /nfs/dbraw/zinc/93/95/25/633939525.db2.gz QDKQVEKJEHWGOU-IUCAKERBSA-N 1 0 252.289 3.183 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031457 633950242 /nfs/dbraw/zinc/95/02/42/633950242.db2.gz KKUNZXDTBXAFRL-VXGBXAGGSA-N 1 0 297.374 3.115 20 5 CGBDRO C[C@@H]([NH2+]C1CCC(C)(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040795 633961814 /nfs/dbraw/zinc/96/18/14/633961814.db2.gz NHOINXOYZDJORT-RWWNRMGGSA-N 1 0 296.342 3.078 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872048100 633970302 /nfs/dbraw/zinc/97/03/02/633970302.db2.gz XLSXYCCRDXUJLZ-NSHDSACASA-N 1 0 298.358 3.183 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050636 633973501 /nfs/dbraw/zinc/97/35/01/633973501.db2.gz ALGJZGRGGDFFKU-IUCAKERBSA-N 1 0 272.345 3.136 20 5 CGBDRO CO[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064131 633985968 /nfs/dbraw/zinc/98/59/68/633985968.db2.gz CGOHXWRXDYZFFQ-VHSXEESVSA-N 1 0 284.381 3.002 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872074704 633997362 /nfs/dbraw/zinc/99/73/62/633997362.db2.gz GOIRFYDLJXPJFT-HZMBPMFUSA-N 1 0 284.331 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@H](C)C1 ZINC000872082002 634006675 /nfs/dbraw/zinc/00/66/75/634006675.db2.gz NDYQFOBTXBVEJE-VWYCJHECSA-N 1 0 296.392 3.145 20 5 CGBDRO COC1CC(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872084226 634009464 /nfs/dbraw/zinc/00/94/64/634009464.db2.gz GXWDTRLKLOWMDJ-VOMCLLRMSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@@H]([NH2+]CC1CC=CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088825 634014352 /nfs/dbraw/zinc/01/43/52/634014352.db2.gz VLUJMGAAWICATB-SNVBAGLBSA-N 1 0 264.300 3.351 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128779 634050412 /nfs/dbraw/zinc/05/04/12/634050412.db2.gz WLMYNPDFBZUHJQ-AGIUHOORSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc(C)n1 ZINC000873132373 634253736 /nfs/dbraw/zinc/25/37/36/634253736.db2.gz QOXYNASRHQARGH-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCCC[C@H]2F)cccc1[N+](=O)[O-] ZINC000873132154 634254060 /nfs/dbraw/zinc/25/40/60/634254060.db2.gz JOOBSAQAKSYPTO-CHWSQXEVSA-N 1 0 266.316 3.274 20 5 CGBDRO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877054708 634964468 /nfs/dbraw/zinc/96/44/68/634964468.db2.gz KIRFOXBCOFQHML-IWMBGFJWSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840823500 635059215 /nfs/dbraw/zinc/05/92/15/635059215.db2.gz ZVNCNAXOWAGUOH-SGESHTKJSA-N 1 0 275.352 3.016 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877557236 635088922 /nfs/dbraw/zinc/08/89/22/635088922.db2.gz ISHWYXXQNPGOAU-NHCYSSNCSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(F)F ZINC000877557808 635089507 /nfs/dbraw/zinc/08/95/07/635089507.db2.gz QASVLAQXWRTTIC-SBMIAAHKSA-N 1 0 270.279 3.289 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000840966607 635094932 /nfs/dbraw/zinc/09/49/32/635094932.db2.gz RHQYPIDHLAMXEO-MWLCHTKSSA-N 1 0 270.279 3.037 20 5 CGBDRO CC1(C)CCCC[C@@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126729929 635229233 /nfs/dbraw/zinc/22/92/33/635229233.db2.gz KAEVJGIRMAGKBL-GJZGRUSLSA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127133506 635520530 /nfs/dbraw/zinc/52/05/30/635520530.db2.gz VAKUFBQDXUSVBS-DZGCQCFKSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(=O)C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000846947555 636291729 /nfs/dbraw/zinc/29/17/29/636291729.db2.gz UIXBVEVMNHEEMS-GFCCVEGCSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1cc(N2CC[C@@H](CF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000882841306 636436065 /nfs/dbraw/zinc/43/60/65/636436065.db2.gz RIPICGUKFGEURX-NSHDSACASA-N 1 0 289.310 3.247 20 5 CGBDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000883263617 636633438 /nfs/dbraw/zinc/63/34/38/636633438.db2.gz ARGLKZYCSXJHLC-HDJSIYSDSA-N 1 0 292.379 3.233 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850507238 637094211 /nfs/dbraw/zinc/09/42/11/637094211.db2.gz DTXBBADXDUCIIJ-AAEUAGOBSA-N 1 0 276.336 3.363 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2COC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000850523829 637101869 /nfs/dbraw/zinc/10/18/69/637101869.db2.gz DCVOKWUZNDXAQP-CHWSQXEVSA-N 1 0 290.363 3.265 20 5 CGBDRO CCC(CC)C[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136934664 637411166 /nfs/dbraw/zinc/41/11/66/637411166.db2.gz YFDDWDXFJRSADJ-INIZCTEOSA-N 1 0 294.395 3.386 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886109563 637418059 /nfs/dbraw/zinc/41/80/59/637418059.db2.gz NWKWFWYMIOPAKO-IUIKQTSFSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)c1ccccc1 ZINC000886109278 637418355 /nfs/dbraw/zinc/41/83/55/637418355.db2.gz GNOUVKQFHHRDPW-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000886114169 637420991 /nfs/dbraw/zinc/42/09/91/637420991.db2.gz IRZLKHXWTJKZLL-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](c1ccccc1)C1CC1 ZINC000886114465 637422102 /nfs/dbraw/zinc/42/21/02/637422102.db2.gz PNSRSMORRCJOLQ-OAHLLOKOSA-N 1 0 283.331 3.231 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134087 637429849 /nfs/dbraw/zinc/42/98/49/637429849.db2.gz JVLNUTAEBZREGL-CYBMUJFWSA-N 1 0 263.341 3.144 20 5 CGBDRO CC1(C)CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140406 637431853 /nfs/dbraw/zinc/43/18/53/637431853.db2.gz HBEDCUDBJUZTJQ-GFCCVEGCSA-N 1 0 263.341 3.048 20 5 CGBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886145289 637434586 /nfs/dbraw/zinc/43/45/86/637434586.db2.gz UFJMJAUKKUBNQV-STQMWFEESA-N 1 0 295.408 3.144 20 5 CGBDRO Cc1cc(F)ccc1CN(C)Cc1cccnc1[N+](=O)[O-] ZINC000886169686 637446445 /nfs/dbraw/zinc/44/64/45/637446445.db2.gz FRYYCSCWVXWDHL-UHFFFAOYSA-N 1 0 289.310 3.069 20 5 CGBDRO Cc1ccc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CCC2)cc1 ZINC000886265656 637471999 /nfs/dbraw/zinc/47/19/99/637471999.db2.gz NYFOSGGARCYTTC-UHFFFAOYSA-N 1 0 297.358 3.467 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@@H]1CC1(C)C ZINC000852773066 637709917 /nfs/dbraw/zinc/70/99/17/637709917.db2.gz VNORKDRTVUGYFZ-NSHDSACASA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927027138 638833724 /nfs/dbraw/zinc/83/37/24/638833724.db2.gz HKTXCBFCKPJUFK-SCVCMEIPSA-N 1 0 295.408 3.112 20 5 CGBDRO COC[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000927096889 638841147 /nfs/dbraw/zinc/84/11/47/638841147.db2.gz JPZVSTXZXMNPLH-STQMWFEESA-N 1 0 280.368 3.164 20 5 CGBDRO COC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000927097223 638841594 /nfs/dbraw/zinc/84/15/94/638841594.db2.gz NMWYQMYAZCVAKR-GXTWGEPZSA-N 1 0 280.368 3.164 20 5 CGBDRO COC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000927097227 638841616 /nfs/dbraw/zinc/84/16/16/638841616.db2.gz NMWYQMYAZCVAKR-TZMCWYRMSA-N 1 0 280.368 3.164 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858593673 638998814 /nfs/dbraw/zinc/99/88/14/638998814.db2.gz GXGWKCHDSNAEOO-WCQYABFASA-N 1 0 289.379 3.408 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932346192 639317689 /nfs/dbraw/zinc/31/76/89/639317689.db2.gz HEWCUZGDGRVOKK-QWHCGFSZSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1noc(CN[C@@H](C)c2ccc(F)cc2C)c1[N+](=O)[O-] ZINC000932562111 639354856 /nfs/dbraw/zinc/35/48/56/639354856.db2.gz XBMANHYNBUGPDI-VIFPVBQESA-N 1 0 293.298 3.190 20 5 CGBDRO CCCCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000934205612 639558653 /nfs/dbraw/zinc/55/86/53/639558653.db2.gz PRGIJPOYHZFSCS-UHFFFAOYSA-N 1 0 288.351 3.284 20 5 CGBDRO Cc1ccc(C[N@H+]2CCCSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000934296534 639573650 /nfs/dbraw/zinc/57/36/50/639573650.db2.gz JPIRZVBMNQBIPQ-LBPRGKRZSA-N 1 0 280.393 3.231 20 5 CGBDRO CCOc1cc(C[NH2+]C(C)(C)CSC)ccc1[N+](=O)[O-] ZINC000934668423 639652063 /nfs/dbraw/zinc/65/20/63/639652063.db2.gz VRTLKCOYQBBHSK-UHFFFAOYSA-N 1 0 298.408 3.225 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000934670820 639654366 /nfs/dbraw/zinc/65/43/66/639654366.db2.gz SFRUCOKYJNBWKJ-UHFFFAOYSA-N 1 0 290.335 3.104 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)o1 ZINC000114504656 641000527 /nfs/dbraw/zinc/00/05/27/641000527.db2.gz SZRKVADTTVAKLT-UHFFFAOYSA-N 1 0 274.320 3.403 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cccc2c1C[NH2+]C2 ZINC001159766618 806168334 /nfs/dbraw/zinc/16/83/34/806168334.db2.gz CPIJUGDTORNNDE-UHFFFAOYSA-N 1 0 273.267 3.081 20 5 CGBDRO C[N@H+](C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C(C)(C)C ZINC001254479234 806412922 /nfs/dbraw/zinc/41/29/22/806412922.db2.gz UGFXVNJILJDCHZ-UHFFFAOYSA-N 1 0 291.395 3.294 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccncc1 ZINC001254537278 806446301 /nfs/dbraw/zinc/44/63/01/806446301.db2.gz YZGLMMLEWDHNBT-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001254559570 806449361 /nfs/dbraw/zinc/44/93/61/806449361.db2.gz LAMYMXXHGIXUHI-MBNYWOFBSA-N 1 0 260.337 3.010 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CC1 ZINC001254564293 806451595 /nfs/dbraw/zinc/45/15/95/806451595.db2.gz KCYWSNKHSCECHQ-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(CF)CC1 ZINC001254562593 806451627 /nfs/dbraw/zinc/45/16/27/806451627.db2.gz NTXGKCFTPFRODY-LBPRGKRZSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC001254567544 806452694 /nfs/dbraw/zinc/45/26/94/806452694.db2.gz WNLPZGYOMNMEIU-GFCCVEGCSA-N 1 0 274.364 3.400 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C2 ZINC001254581727 806456056 /nfs/dbraw/zinc/45/60/56/806456056.db2.gz LTBJKLCOUDEEMK-JQHSSLGASA-N 1 0 294.354 3.208 20 5 CGBDRO CCCC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254587781 806456180 /nfs/dbraw/zinc/45/61/80/806456180.db2.gz ZINSMRIBUSOUQF-AWEZNQCLSA-N 1 0 274.364 3.374 20 5 CGBDRO C[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593252 806456893 /nfs/dbraw/zinc/45/68/93/806456893.db2.gz KOQWQRWTNHREJP-BLLLJJGKSA-N 1 0 274.364 3.184 20 5 CGBDRO C[N@H+]([C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254596882 806457582 /nfs/dbraw/zinc/45/75/82/806457582.db2.gz GIMJVMJGROZKSL-INIZCTEOSA-N 1 0 274.364 3.327 20 5 CGBDRO CC1(C)CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599491 806458524 /nfs/dbraw/zinc/45/85/24/806458524.db2.gz MFPYQXLUUHWXTG-HNNXBMFYSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC3(CCCC3)C1)C2 ZINC001254601237 806459001 /nfs/dbraw/zinc/45/90/01/806459001.db2.gz WLWRYSSLQWHIPQ-MRXNPFEDSA-N 1 0 286.375 3.328 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCCCCCC1)C2 ZINC001254603886 806459797 /nfs/dbraw/zinc/45/97/97/806459797.db2.gz REBIPBAOODRPKZ-MRXNPFEDSA-N 1 0 274.364 3.328 20 5 CGBDRO CCc1coc(CNc2ccccc2C[N+](C)(C)CC)n1 ZINC001162137619 806511148 /nfs/dbraw/zinc/51/11/48/806511148.db2.gz GYLDYZZHYFDAAY-UHFFFAOYSA-N 1 0 288.415 3.445 20 5 CGBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111290682 798983812 /nfs/dbraw/zinc/98/38/12/798983812.db2.gz QWUAHILUGODZSO-SECBINFHSA-N 1 0 287.310 3.285 20 5 CGBDRO CCOC(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000159385903 799072903 /nfs/dbraw/zinc/07/29/03/799072903.db2.gz DSCUOADDECKDIT-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO Cc1cc(Cl)c(N[C@H]2CN3CCC2CC3)c([N+](=O)[O-])c1 ZINC001163394156 806756586 /nfs/dbraw/zinc/75/65/86/806756586.db2.gz CFYKLCHUDJDWDN-LBPRGKRZSA-N 1 0 295.770 3.063 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)O1 ZINC000686513106 799734421 /nfs/dbraw/zinc/73/44/21/799734421.db2.gz AALVRHZXQAMJIJ-GMTAPVOTSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000686506987 799734528 /nfs/dbraw/zinc/73/45/28/799734528.db2.gz GYRKQHIPGBUMHO-CKYFFXLPSA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1OC[C@H]1CCCC[NH2+]C1 ZINC000697087094 799842577 /nfs/dbraw/zinc/84/25/77/799842577.db2.gz NGYRHGQWCFKFAK-JTQLQIEISA-N 1 0 284.743 3.017 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000701049334 799884357 /nfs/dbraw/zinc/88/43/57/799884357.db2.gz IHAIIWVUSIZEJY-LFNDISMMSA-N 1 0 298.770 3.150 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000711036119 800046354 /nfs/dbraw/zinc/04/63/54/800046354.db2.gz QUUKLILTKSDCQJ-BTTYYORXSA-N 1 0 260.337 3.263 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000715612849 800141135 /nfs/dbraw/zinc/14/11/35/800141135.db2.gz JUMKVUWPZNYOQR-KRWDZBQOSA-N 1 0 297.358 3.281 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000716662683 800178696 /nfs/dbraw/zinc/17/86/96/800178696.db2.gz CGGKPTKAEOYFLV-HPEDKQMDSA-N 1 0 274.364 3.285 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000718732022 800220748 /nfs/dbraw/zinc/22/07/48/800220748.db2.gz IBJUMLQRELJQPR-KBPBESRZSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@H]1[C@@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719599501 800244720 /nfs/dbraw/zinc/24/47/20/800244720.db2.gz JQUFRNKOEHHXCB-WPRPVWTQSA-N 1 0 285.294 3.037 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903130126 800594472 /nfs/dbraw/zinc/59/44/72/800594472.db2.gz BDAUIWAMLRQDSM-JQWIXIFHSA-N 1 0 298.408 3.396 20 5 CGBDRO CC(C)N(CCC[NH3+])c1cc(Cl)ccc1/C=C/[N+](=O)[O-] ZINC001164126658 806897688 /nfs/dbraw/zinc/89/76/88/806897688.db2.gz CLGQDANHAOWNOK-RMKNXTFCSA-N 1 0 297.786 3.151 20 5 CGBDRO O[C@]1(CNc2c3ccccc3cc3ccccc32)CC[NH2+]C1 ZINC001245974816 804091428 /nfs/dbraw/zinc/09/14/28/804091428.db2.gz WTBHPPOGYYEYIC-LJQANCHMSA-N 1 0 292.382 3.129 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC1(C)CC[NH2+]CC1 ZINC001168185740 807338308 /nfs/dbraw/zinc/33/83/08/807338308.db2.gz LCJZBKLGQMBWKK-UHFFFAOYSA-N 1 0 277.368 3.074 20 5 CGBDRO Cc1c(N[C@H]2CCCC[C@@H]2[NH+](C)C)cc(F)cc1[N+](=O)[O-] ZINC001168600743 807453058 /nfs/dbraw/zinc/45/30/58/807453058.db2.gz BTOLJCGBRIJFCM-JSGCOSHPSA-N 1 0 295.358 3.327 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C(F)F)C1 ZINC001168961863 807541369 /nfs/dbraw/zinc/54/13/69/807541369.db2.gz KKGLFUHJPPBQDS-CMPLNLGQSA-N 1 0 284.306 3.159 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001168963641 807542337 /nfs/dbraw/zinc/54/23/37/807542337.db2.gz PHMBYICKHPEENE-SKDRFNHKSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001168965888 807542767 /nfs/dbraw/zinc/54/27/67/807542767.db2.gz DFNGCJKUCWTXOG-DGCLKSJQSA-N 1 0 290.388 3.436 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168979049 807546014 /nfs/dbraw/zinc/54/60/14/807546014.db2.gz WNVVBIPLMXNBAZ-NUEKZKHPSA-N 1 0 276.380 3.419 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983312 807547047 /nfs/dbraw/zinc/54/70/47/807547047.db2.gz JIRZWXWJZYLISW-RISCZKNCSA-N 1 0 280.343 3.096 20 5 CGBDRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168982076 807547053 /nfs/dbraw/zinc/54/70/53/807547053.db2.gz IHXZSUHPFPXUIQ-MJBXVCDLSA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC001168989300 807548055 /nfs/dbraw/zinc/54/80/55/807548055.db2.gz VQZWFAQJSDMDKJ-LSDHHAIUSA-N 1 0 268.401 3.382 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1F ZINC001168990315 807548308 /nfs/dbraw/zinc/54/83/08/807548308.db2.gz BOICSZHHMQKSIN-GMTAPVOTSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC001169001269 807549135 /nfs/dbraw/zinc/54/91/35/807549135.db2.gz FCXUVOGHQYFWNM-PJODQICGSA-N 1 0 292.354 3.238 20 5 CGBDRO CC(C)C[NH+](CC(C)C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010168 807551910 /nfs/dbraw/zinc/55/19/10/807551910.db2.gz ZEEFXPUPDXVKIE-UONOGXRCSA-N 1 0 256.390 3.046 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007237 807552016 /nfs/dbraw/zinc/55/20/16/807552016.db2.gz MBTXFRCHLSZEOE-ABAIWWIYSA-N 1 0 294.782 3.144 20 5 CGBDRO CC[N@H+](Cc1ccccc1F)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038977 807556840 /nfs/dbraw/zinc/55/68/40/807556840.db2.gz LZSPKMHZQDZTGI-TZMCWYRMSA-N 1 0 280.343 3.093 20 5 CGBDRO COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040228 807557196 /nfs/dbraw/zinc/55/71/96/807557196.db2.gz YYXRHIZATBCQMR-MELADBBJSA-N 1 0 292.379 3.133 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169047017 807558762 /nfs/dbraw/zinc/55/87/62/807558762.db2.gz PQQYCQWUEJEOND-AAEUAGOBSA-N 1 0 298.333 3.232 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169048222 807558936 /nfs/dbraw/zinc/55/89/36/807558936.db2.gz TWSHPMMZJYIVQW-YJNKXOJESA-N 1 0 266.385 3.086 20 5 CGBDRO CC[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050183 807559853 /nfs/dbraw/zinc/55/98/53/807559853.db2.gz ZGDBFQPDMVWOGU-CVEARBPZSA-N 1 0 276.380 3.262 20 5 CGBDRO CC[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001169494458 807652144 /nfs/dbraw/zinc/65/21/44/807652144.db2.gz KMJUYJFWNJUGKV-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CC23CCC3)c([N+](=O)[O-])c1 ZINC001170324580 807825653 /nfs/dbraw/zinc/82/56/53/807825653.db2.gz RBAFXMKQFRWATO-XHDPSFHLSA-N 1 0 290.363 3.067 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC001262730556 807902136 /nfs/dbraw/zinc/90/21/36/807902136.db2.gz ZTYYUERACFYAIX-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC001171334865 808030644 /nfs/dbraw/zinc/03/06/44/808030644.db2.gz KVZZWNBSFXAEEG-GFCCVEGCSA-N 1 0 285.347 3.302 20 5 CGBDRO CC1CC([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895211 808474897 /nfs/dbraw/zinc/47/48/97/808474897.db2.gz AWELMZPRHYSYGU-XGTXGMFGSA-N 1 0 274.364 3.230 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC(C)C)c1F ZINC001173182589 808533175 /nfs/dbraw/zinc/53/31/75/808533175.db2.gz HQEFKIBNZOGKOV-LLVKDONJSA-N 1 0 298.358 3.261 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC001173216101 808538403 /nfs/dbraw/zinc/53/84/03/808538403.db2.gz KJQZTOXXDVHTLX-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222769 808539948 /nfs/dbraw/zinc/53/99/48/808539948.db2.gz VMLAFGQCNNBQSI-NWDGAFQWSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](F)CC1 ZINC001173229396 808543678 /nfs/dbraw/zinc/54/36/78/808543678.db2.gz UEGFEJBNKVNYBA-JSGCOSHPSA-N 1 0 280.343 3.350 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173237735 808546354 /nfs/dbraw/zinc/54/63/54/808546354.db2.gz LSEIUIGXFBJRRD-HEHGZKQESA-N 1 0 292.379 3.025 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CC1(C)C ZINC001174908027 809196434 /nfs/dbraw/zinc/19/64/34/809196434.db2.gz WMJFRZIDYKOXLU-LLVKDONJSA-N 1 0 266.316 3.212 20 5 CGBDRO C[N@@H+]1CCC=C(Nc2cc3cccnc3c3ncccc23)C1 ZINC001175578143 809460194 /nfs/dbraw/zinc/46/01/94/809460194.db2.gz DHQLSTVMUWIRII-UHFFFAOYSA-N 1 0 290.370 3.414 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCC1CC1 ZINC001179924440 809958790 /nfs/dbraw/zinc/95/87/90/809958790.db2.gz GRSRTIHRKBAEMA-UHFFFAOYSA-N 1 0 262.353 3.444 20 5 CGBDRO C[C@H]1CCCC[C@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001181556000 810059053 /nfs/dbraw/zinc/05/90/53/810059053.db2.gz QXCIHOLZWNOEOV-KBPBESRZSA-N 1 0 291.395 3.186 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC001193607429 810918403 /nfs/dbraw/zinc/91/84/03/810918403.db2.gz UCQRQZQNOCFLQL-ONGXEEELSA-N 1 0 254.355 3.277 20 5 CGBDRO CCOc1cc(C[NH2+][C@@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC001198407659 811499563 /nfs/dbraw/zinc/49/95/63/811499563.db2.gz YGQIHMSCLHTDDF-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)cn1 ZINC001200844956 811753939 /nfs/dbraw/zinc/75/39/39/811753939.db2.gz NTBCVZHDWKEOHN-UHFFFAOYSA-N 1 0 299.374 3.411 20 5 CGBDRO Cc1cc(Nc2ccc([N+](=O)[O-])nc2)c2ccccc2[nH+]1 ZINC001203560756 812392214 /nfs/dbraw/zinc/39/22/14/812392214.db2.gz OUXHPUCDAQHSND-UHFFFAOYSA-N 1 0 280.287 3.012 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCC(=O)c1ccc2ccccc2c1 ZINC001205760438 813069487 /nfs/dbraw/zinc/06/94/87/813069487.db2.gz AZFHOVKEHVTWGZ-CQSZACIVSA-N 1 0 286.395 3.134 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2ccc3[nH+]ccn3c2)c1F ZINC001210379211 814433256 /nfs/dbraw/zinc/43/32/56/814433256.db2.gz UDHPGJAVYODUIV-UHFFFAOYSA-N 1 0 272.239 3.125 20 5 CGBDRO C[C@@H](OCCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001217888240 815990592 /nfs/dbraw/zinc/99/05/92/815990592.db2.gz PFLBUJRYHFFXLS-KGLIPLIRSA-N 1 0 292.379 3.452 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001217956358 816017092 /nfs/dbraw/zinc/01/70/92/816017092.db2.gz WVLBNBCYLVOTHK-BJHJDKERSA-N 1 0 295.338 3.075 20 5 CGBDRO C[C@H](Oc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC001218002878 816045047 /nfs/dbraw/zinc/04/50/47/816045047.db2.gz NAMGCNAQPSJQKU-VIFPVBQESA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H](C)C1CC[NH2+]CC1 ZINC001218003573 816046683 /nfs/dbraw/zinc/04/66/83/816046683.db2.gz YNNVKELPJQHWRW-SNVBAGLBSA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218033559 816066728 /nfs/dbraw/zinc/06/67/28/816066728.db2.gz CHFZCSZUKVSBDV-SJKOYZFVSA-N 1 0 278.355 3.375 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]1 ZINC001218037596 816068798 /nfs/dbraw/zinc/06/87/98/816068798.db2.gz RBKHSFIGDLOTKL-SJKOYZFVSA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001218038954 816069143 /nfs/dbraw/zinc/06/91/43/816069143.db2.gz OMGZGBVNLSJJMJ-MRXNPFEDSA-N 1 0 284.315 3.003 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001218113475 816101604 /nfs/dbraw/zinc/10/16/04/816101604.db2.gz AEHDZIOJBCVVNF-DLBZAZTESA-N 1 0 298.342 3.269 20 5 CGBDRO C[C@@H](Oc1nc2ccccc2c2ccccc21)C1C[NH2+]C1 ZINC001218197078 816123227 /nfs/dbraw/zinc/12/32/27/816123227.db2.gz XGIAZVLDOLCUFR-GFCCVEGCSA-N 1 0 278.355 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CCC[NH2+]C3)cc2)cc1 ZINC001218280119 816150996 /nfs/dbraw/zinc/15/09/96/816150996.db2.gz WXQNIKGYYYSNLO-KRWDZBQOSA-N 1 0 298.342 3.393 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308346 816159523 /nfs/dbraw/zinc/15/95/23/816159523.db2.gz GYMWZUNCJSLKRI-ZDUSSCGKSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[C@H](C)[NH2+]C1 ZINC001218400512 816193759 /nfs/dbraw/zinc/19/37/59/816193759.db2.gz VICGWMIWJOOCFD-UWVGGRQHSA-N 1 0 284.743 3.076 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218420091 816206604 /nfs/dbraw/zinc/20/66/04/816206604.db2.gz QZSQCIGJCYYDOW-ABAIWWIYSA-N 1 0 286.331 3.125 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(OC(C)(C)C)cc1 ZINC001223880810 816696566 /nfs/dbraw/zinc/69/65/66/816696566.db2.gz LHUIKPYSCXDOJO-AWEZNQCLSA-N 1 0 280.432 3.475 20 5 CGBDRO C[C@H](OC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707223 816859702 /nfs/dbraw/zinc/85/97/02/816859702.db2.gz PBRXVLKEYDGAOL-STQMWFEESA-N 1 0 278.352 3.157 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2cccc(F)c2[N+](=O)[O-])CC1 ZINC001225666093 817132917 /nfs/dbraw/zinc/13/29/17/817132917.db2.gz FTJGTIUSKOQLMH-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CC[C@H]([NH+](C)C)CC2)c1 ZINC001225682686 817141084 /nfs/dbraw/zinc/14/10/84/817141084.db2.gz LZQQFJVXVSLLDF-JOCQHMNTSA-N 1 0 278.352 3.155 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225786908 817178172 /nfs/dbraw/zinc/17/81/72/817178172.db2.gz ZMAUGUNLNVRCFJ-JTQLQIEISA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1cc(OC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC001226841482 817481083 /nfs/dbraw/zinc/48/10/83/817481083.db2.gz MXPSDTANZHZHMO-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cc1Br ZINC001227371878 817634718 /nfs/dbraw/zinc/63/47/18/817634718.db2.gz NMSKIHIEJKULKH-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)cc1C(F)(F)F ZINC001227710717 817701118 /nfs/dbraw/zinc/70/11/18/817701118.db2.gz AHSJGZKLKFNDES-SECBINFHSA-N 1 0 280.285 3.318 20 5 CGBDRO Cc1ccc(Br)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228052233 817796797 /nfs/dbraw/zinc/79/67/97/817796797.db2.gz IAPTVDVJQXVVAZ-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001228570366 817940069 /nfs/dbraw/zinc/94/00/69/817940069.db2.gz CFGMKUANBDQPNX-AGGWBTHJSA-N 1 0 290.363 3.216 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001228571741 817941484 /nfs/dbraw/zinc/94/14/84/817941484.db2.gz SFQKRKHPMQXSSH-CQSZACIVSA-N 1 0 278.352 3.075 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758843 818000806 /nfs/dbraw/zinc/00/08/06/818000806.db2.gz MZHFSPPUHLTDPE-NSHDSACASA-N 1 0 284.743 3.110 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])c(C)cc1F ZINC001234057686 818770357 /nfs/dbraw/zinc/77/03/57/818770357.db2.gz XYQZYUHXKSQQBB-LLVKDONJSA-N 1 0 284.331 3.151 20 5 CGBDRO Cc1cc(F)c(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001234059767 818770743 /nfs/dbraw/zinc/77/07/43/818770743.db2.gz LHAFTQZRXHMEEZ-HAQNSBGRSA-N 1 0 296.342 3.294 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234087096 818776319 /nfs/dbraw/zinc/77/63/19/818776319.db2.gz MBZOXOJGMVNEJU-AWEZNQCLSA-N 1 0 293.370 3.256 20 5 CGBDRO CSc1cc(F)c(O[C@@H](C)C[N+](C)(C)C)cc1F ZINC001234926604 818953584 /nfs/dbraw/zinc/95/35/84/818953584.db2.gz GVPOFRWEQDUDNA-VIFPVBQESA-N 1 0 276.372 3.160 20 5 CGBDRO CC[C@@H](C)[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588080 928533665 /nfs/dbraw/zinc/53/36/65/928533665.db2.gz ZSCHPNHUSJCDTI-DOMZBBRYSA-N 1 0 280.368 3.088 20 5 CGBDRO Cc1ccc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125607 937452115 /nfs/dbraw/zinc/45/21/15/937452115.db2.gz FDIUELLTGNHPHH-KGLIPLIRSA-N 1 0 291.395 3.436 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229378134 932142657 /nfs/dbraw/zinc/14/26/57/932142657.db2.gz SBFYLDONLCPYBM-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229466937 932156272 /nfs/dbraw/zinc/15/62/72/932156272.db2.gz ZFKHVPRSZDGLBA-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO CC[NH+]1CCC(Oc2cc(C)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001229979857 932515273 /nfs/dbraw/zinc/51/52/73/932515273.db2.gz XCZXWJXKPVWOKP-UHFFFAOYSA-N 1 0 298.770 3.420 20 5 CGBDRO CC(=O)c1ccc(Cl)cc1O[C@@H](C)C[N+](C)(C)C ZINC001230297006 932555864 /nfs/dbraw/zinc/55/58/64/932555864.db2.gz FYDMRPRUGWKEJY-JTQLQIEISA-N 1 0 270.780 3.016 20 5 CGBDRO Cc1ccc2ncc(O[C@@H](C)C[N+](C)(C)C)cc2c1 ZINC001230525224 932583642 /nfs/dbraw/zinc/58/36/42/932583642.db2.gz CREOZSGHZWWZRZ-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C)c([N+](=O)[O-])cc1C ZINC001230724491 932614804 /nfs/dbraw/zinc/61/48/04/932614804.db2.gz XEEVFAQOSTZHDK-CYBMUJFWSA-N 1 0 280.368 3.321 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914271 932641944 /nfs/dbraw/zinc/64/19/44/932641944.db2.gz GOVCYPVERFDPDT-SNVBAGLBSA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@H](C[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1)C(C)(C)C ZINC001308808732 933180581 /nfs/dbraw/zinc/18/05/81/933180581.db2.gz CJGJZHDSHHSXCJ-GFCCVEGCSA-N 1 0 292.379 3.340 20 5 CGBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC001324503435 934517309 /nfs/dbraw/zinc/51/73/09/934517309.db2.gz TZSHMFIHYROUDD-UHFFFAOYSA-N 1 0 276.340 3.092 20 5 CGBDRO C[C@@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001473714253 937818905 /nfs/dbraw/zinc/81/89/05/937818905.db2.gz ORTZDOLHEGRUON-BLLLJJGKSA-N 1 0 294.395 3.074 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H]1C ZINC001335519531 936150642 /nfs/dbraw/zinc/15/06/42/936150642.db2.gz FQZWPKAQTYLJMS-CWSCBRNRSA-N 1 0 266.316 3.053 20 5 CGBDRO Cc1ccc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069015 938219778 /nfs/dbraw/zinc/21/97/78/938219778.db2.gz XGVGGQGKWYQFGV-ZIAGYGMSSA-N 1 0 291.395 3.436 20 5 CGBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001560604297 938265001 /nfs/dbraw/zinc/26/50/01/938265001.db2.gz RFTYUXUFTPGEAL-LBPRGKRZSA-N 1 0 299.374 3.500 20 5 CGBDRO CO[C@H](C)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000338707209 214731913 /nfs/dbraw/zinc/73/19/13/214731913.db2.gz KHPYGYCVOOLPFL-GFCCVEGCSA-N 1 0 280.368 3.233 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338012882 214361140 /nfs/dbraw/zinc/36/11/40/214361140.db2.gz PAYMSSCCLJYYHS-DOMZBBRYSA-N 1 0 292.379 3.187 20 5 CGBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000358506337 529677914 /nfs/dbraw/zinc/67/79/14/529677914.db2.gz MJEZCGREVJTBBN-GFCCVEGCSA-N 1 0 285.347 3.403 20 5 CGBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)F ZINC000592372580 346979606 /nfs/dbraw/zinc/97/96/06/346979606.db2.gz NIDIEXOGCXTYNC-VLWUPBBWSA-N 1 0 284.306 3.489 20 5 CGBDRO CC(C)Cn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1F ZINC000351565600 219127759 /nfs/dbraw/zinc/12/77/59/219127759.db2.gz BRURTLFHYWLQIS-UHFFFAOYSA-N 1 0 292.314 3.199 20 5 CGBDRO C[C@H]1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000038079428 344954597 /nfs/dbraw/zinc/95/45/97/344954597.db2.gz ISFFPFGYKPBKAC-STQMWFEESA-N 1 0 278.352 3.142 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000051686798 345092186 /nfs/dbraw/zinc/09/21/86/345092186.db2.gz DTXYRDCRNNDBCM-GFCCVEGCSA-N 1 0 266.341 3.094 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000054152541 345129489 /nfs/dbraw/zinc/12/94/89/345129489.db2.gz SPPXJZJSINGXRA-NSHDSACASA-N 1 0 254.355 3.421 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023028 345490468 /nfs/dbraw/zinc/49/04/68/345490468.db2.gz OSOMXKVNQGWCBL-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO CSCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131517686 232192288 /nfs/dbraw/zinc/19/22/88/232192288.db2.gz HDVOKFDNXOUOGG-NSHDSACASA-N 1 0 268.382 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000077221027 345561394 /nfs/dbraw/zinc/56/13/94/345561394.db2.gz NAARFRQEKRJOME-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083484016 345726538 /nfs/dbraw/zinc/72/65/38/345726538.db2.gz XBZOXCSJXBFISE-MFKMUULPSA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090587996 345790742 /nfs/dbraw/zinc/79/07/42/345790742.db2.gz PRMBKJUCAKBBMU-WCQYABFASA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000090909841 345796948 /nfs/dbraw/zinc/79/69/48/345796948.db2.gz KXPCLHKRNLPKAG-QGZVFWFLSA-N 1 0 282.343 3.414 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000116360473 345977390 /nfs/dbraw/zinc/97/73/90/345977390.db2.gz QFWVHKXLVAMLBJ-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000121386247 346002264 /nfs/dbraw/zinc/00/22/64/346002264.db2.gz ZLAUUVRXPCOALK-KCQAQPDRSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123153558 346007974 /nfs/dbraw/zinc/00/79/74/346007974.db2.gz JMLGDOKXJNQGBJ-NXEZZACHSA-N 1 0 275.308 3.109 20 5 CGBDRO CC(C)OC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000130122735 346054538 /nfs/dbraw/zinc/05/45/38/346054538.db2.gz FASHPEVRUQUVEZ-UHFFFAOYSA-N 1 0 292.379 3.421 20 5 CGBDRO COC(C)(C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000174597548 346244233 /nfs/dbraw/zinc/24/42/33/346244233.db2.gz TYQYRWZWSHHTTI-UHFFFAOYSA-N 1 0 280.368 3.233 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC3CC3)CC2)c1 ZINC000176494488 346249728 /nfs/dbraw/zinc/24/97/28/346249728.db2.gz YEEIWFUEXHYNQL-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2ccoc2)cccc1[N+](=O)[O-] ZINC000230648006 346320994 /nfs/dbraw/zinc/32/09/94/346320994.db2.gz BOOJCYZCDGQXQO-LLVKDONJSA-N 1 0 260.293 3.347 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000593591377 347092978 /nfs/dbraw/zinc/09/29/78/347092978.db2.gz VKAWZGBCKBWKNW-ZDUSSCGKSA-N 1 0 280.368 3.136 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000324209313 346490900 /nfs/dbraw/zinc/49/09/00/346490900.db2.gz URJLSAQNSLPTLG-ZDUSSCGKSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1ccc(C[N@H+]2CCC[C@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593655907 347101286 /nfs/dbraw/zinc/10/12/86/347101286.db2.gz FQVKBOWMDRDTJI-HNNXBMFYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000403407427 346596744 /nfs/dbraw/zinc/59/67/44/346596744.db2.gz UBIRXIJXBOJHIY-DOERSZECSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000584719121 346709677 /nfs/dbraw/zinc/70/96/77/346709677.db2.gz BAQZLMJSWYEMDS-QWHCGFSZSA-N 1 0 266.316 3.274 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593694884 347104913 /nfs/dbraw/zinc/10/49/13/347104913.db2.gz DMRFRMUKAULDJI-LYKUJDHUSA-N 1 0 294.301 3.339 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCC2(CO)CCC2)cc1[N+](=O)[O-] ZINC000593718414 347107421 /nfs/dbraw/zinc/10/74/21/347107421.db2.gz GYMBMMBKIKLTCX-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000594591798 347197233 /nfs/dbraw/zinc/19/72/33/347197233.db2.gz LCEORERZFRRIET-AOOOYVTPSA-N 1 0 283.759 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000594604081 347201120 /nfs/dbraw/zinc/20/11/20/347201120.db2.gz YAOWESYNNZXEAH-WDEREUQCSA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594489861 347177142 /nfs/dbraw/zinc/17/71/42/347177142.db2.gz GQHWRQIYXPUKAU-IAQYHMDHSA-N 1 0 283.331 3.328 20 5 CGBDRO COCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CC1 ZINC000594516394 347186579 /nfs/dbraw/zinc/18/65/79/347186579.db2.gz WEJHQUWASLHQGL-UHFFFAOYSA-N 1 0 292.379 3.234 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000594710834 347212048 /nfs/dbraw/zinc/21/20/48/347212048.db2.gz MNDIADLAHDYAKP-OLZOCXBDSA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594724122 347213547 /nfs/dbraw/zinc/21/35/47/347213547.db2.gz DGQTWZJVEJYWIJ-TYNCELHUSA-N 1 0 278.352 3.203 20 5 CGBDRO COc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1C ZINC000594999530 347252557 /nfs/dbraw/zinc/25/25/57/347252557.db2.gz UMZYLAZMFYMZFJ-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000594978812 347247851 /nfs/dbraw/zinc/24/78/51/347247851.db2.gz WIKNCWXEKTYEKQ-ZDUSSCGKSA-N 1 0 284.306 3.428 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000594979845 347247864 /nfs/dbraw/zinc/24/78/64/347247864.db2.gz MGAYOKCMGWPQLU-KRWDZBQOSA-N 1 0 298.342 3.386 20 5 CGBDRO CO[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595291020 347287224 /nfs/dbraw/zinc/28/72/24/347287224.db2.gz VVNWZGYGKCRXDY-MRXNPFEDSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595346447 347294463 /nfs/dbraw/zinc/29/44/63/347294463.db2.gz WIPZPUFERJETAF-AWEZNQCLSA-N 1 0 266.316 3.356 20 5 CGBDRO CCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595007709 347255008 /nfs/dbraw/zinc/25/50/08/347255008.db2.gz RTPQCQXETQTRTL-NSHDSACASA-N 1 0 266.341 3.444 20 5 CGBDRO COC1CC(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595047624 347268929 /nfs/dbraw/zinc/26/89/29/347268929.db2.gz DCCUXXKEQMSMLR-OPFPJEHXSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595053964 347270838 /nfs/dbraw/zinc/27/08/38/347270838.db2.gz KQBNQDBTPWSLJQ-DOMZBBRYSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@H](NCc1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000595414742 347300359 /nfs/dbraw/zinc/30/03/59/347300359.db2.gz LMQVNCNVWZQUOP-JTQLQIEISA-N 1 0 287.319 3.311 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595601689 347324221 /nfs/dbraw/zinc/32/42/21/347324221.db2.gz UAUSQWVHANFAOJ-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000595601690 347324362 /nfs/dbraw/zinc/32/43/62/347324362.db2.gz UAUSQWVHANFAOJ-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688501 347337477 /nfs/dbraw/zinc/33/74/77/347337477.db2.gz IKQPCTODCITCEQ-WQVCFCJDSA-N 1 0 290.363 3.014 20 5 CGBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000595453594 347306162 /nfs/dbraw/zinc/30/61/62/347306162.db2.gz QGMINPRBUIPNDT-JQWIXIFHSA-N 1 0 281.356 3.292 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1 ZINC000595565606 347320498 /nfs/dbraw/zinc/32/04/98/347320498.db2.gz HNUXILWIVVHHDR-ZFWWWQNUSA-N 1 0 260.337 3.012 20 5 CGBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CC1(C)C ZINC000595913837 347372828 /nfs/dbraw/zinc/37/28/28/347372828.db2.gz VPDJNKPKOWPQJM-SNVBAGLBSA-N 1 0 289.335 3.214 20 5 CGBDRO Cc1cc(N2CCC[C@@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000596082424 347380928 /nfs/dbraw/zinc/38/09/28/347380928.db2.gz KIYXQJIKYUOGIA-GFCCVEGCSA-N 1 0 295.408 3.029 20 5 CGBDRO C[C@H](CCNc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000596428579 347455321 /nfs/dbraw/zinc/45/53/21/347455321.db2.gz FJGKDWCWXRTOCT-SECBINFHSA-N 1 0 287.310 3.285 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596335107 347421765 /nfs/dbraw/zinc/42/17/65/347421765.db2.gz DXONRAXDWDAEOQ-SNVBAGLBSA-N 1 0 283.397 3.249 20 5 CGBDRO Cc1cc(N2CC[C@@H]3C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596509244 347470795 /nfs/dbraw/zinc/47/07/95/347470795.db2.gz HOBYSMQUPYTPKV-VXGBXAGGSA-N 1 0 283.331 3.298 20 5 CGBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000598965428 347701825 /nfs/dbraw/zinc/70/18/25/347701825.db2.gz MHTKAHPVYZUHCS-UHFFFAOYSA-N 1 0 299.374 3.411 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC23CC3)cs1 ZINC000599016079 347706158 /nfs/dbraw/zinc/70/61/58/347706158.db2.gz JLZKNCJZGYAVOK-NSHDSACASA-N 1 0 266.366 3.326 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000599054499 347711263 /nfs/dbraw/zinc/71/12/63/347711263.db2.gz ATYIWJGWDKAYLI-STQMWFEESA-N 1 0 278.352 3.062 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599071905 347714239 /nfs/dbraw/zinc/71/42/39/347714239.db2.gz BDZMWRPWAWYAOD-GLQYFDAESA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ncccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000599072793 347714642 /nfs/dbraw/zinc/71/46/42/347714642.db2.gz ILPVXTLBIZIPPZ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599074610 347715351 /nfs/dbraw/zinc/71/53/51/347715351.db2.gz XYBJLSHGPDZTHK-GLQYFDAESA-N 1 0 278.352 3.121 20 5 CGBDRO C/C=C\C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599083055 347715948 /nfs/dbraw/zinc/71/59/48/347715948.db2.gz NWUKJCQJWNDBBS-SFAKSCPVSA-N 1 0 260.337 3.082 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000599674295 347764071 /nfs/dbraw/zinc/76/40/71/347764071.db2.gz AZPGFQOXZWCVCW-HOCLYGCPSA-N 1 0 274.364 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc(C[NH2+]C3CC3)c2)c1 ZINC000600782082 347835214 /nfs/dbraw/zinc/83/52/14/347835214.db2.gz JCYGXPGHQOHWEX-UHFFFAOYSA-N 1 0 298.342 3.006 20 5 CGBDRO Cc1ccc(-c2ccc3c(c2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000600788876 347836495 /nfs/dbraw/zinc/83/64/95/347836495.db2.gz AOVOUNFMTAZLIK-UHFFFAOYSA-N 1 0 268.316 3.216 20 5 CGBDRO Cc1ccc(-c2cccc([C@H]3COCC[NH2+]3)c2)cc1[N+](=O)[O-] ZINC000600791586 347837380 /nfs/dbraw/zinc/83/73/80/347837380.db2.gz SMLKBPUMDWRQAZ-MRXNPFEDSA-N 1 0 298.342 3.231 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC(F)(F)C2)cc1 ZINC000602566223 347983430 /nfs/dbraw/zinc/98/34/30/347983430.db2.gz DXINLTKLDADYQV-LBPRGKRZSA-N 1 0 284.306 3.305 20 5 CGBDRO C[N@H+](CCC(C)(C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000609578049 348348124 /nfs/dbraw/zinc/34/81/24/348348124.db2.gz WZDMSBANANZCLU-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000609040588 348335505 /nfs/dbraw/zinc/33/55/05/348335505.db2.gz ADZOMULKFOKKET-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO CC(C)[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609767083 348351973 /nfs/dbraw/zinc/35/19/73/348351973.db2.gz MGEMURZLUCVFNR-CQSZACIVSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609195374 348339722 /nfs/dbraw/zinc/33/97/22/348339722.db2.gz CJWHGEDHDTWZIU-OAHLLOKOSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000609540000 348346270 /nfs/dbraw/zinc/34/62/70/348346270.db2.gz NTHGHCGVAMPEAE-NSHDSACASA-N 1 0 290.294 3.316 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610390988 348380583 /nfs/dbraw/zinc/38/05/83/348380583.db2.gz GKEGYQOITGGSSL-ZIAGYGMSSA-N 1 0 291.395 3.118 20 5 CGBDRO COc1cc(C[N@H+](CC(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000351970717 219270479 /nfs/dbraw/zinc/27/04/79/219270479.db2.gz HYYYQELYZBYBMN-UHFFFAOYSA-N 1 0 280.368 3.470 20 5 CGBDRO Cc1cc(N2CC[C@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611923452 348480696 /nfs/dbraw/zinc/48/06/96/348480696.db2.gz QIHIGNWAJDHFQE-JTQLQIEISA-N 1 0 271.320 3.298 20 5 CGBDRO C[C@H]([NH2+]C1CC(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000613615651 348622818 /nfs/dbraw/zinc/62/28/18/348622818.db2.gz UNDDVNSWEVHGAL-PUSIOWJLSA-N 1 0 270.279 3.289 20 5 CGBDRO Cc1ccc(CNc2cc[nH+]c(C)c2Cl)cc1[N+](=O)[O-] ZINC000616955339 348886396 /nfs/dbraw/zinc/88/63/96/348886396.db2.gz GKWNKTYZXBDAAJ-UHFFFAOYSA-N 1 0 291.738 3.294 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000035661495 137874163 /nfs/dbraw/zinc/87/41/63/137874163.db2.gz PZVJMTMNQYINAC-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@H](c1ccncc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785560 349285059 /nfs/dbraw/zinc/28/50/59/349285059.db2.gz NIZWZERPYAFEFJ-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000122263512 187023253 /nfs/dbraw/zinc/02/32/53/187023253.db2.gz IYFAUUMZQMYZDX-VHSXEESVSA-N 1 0 295.770 3.285 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000271518929 191189860 /nfs/dbraw/zinc/18/98/60/191189860.db2.gz OBNNMOABFJSACK-MNOVXSKESA-N 1 0 274.324 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3CCC2CC3)cc1F ZINC000366997604 234195249 /nfs/dbraw/zinc/19/52/49/234195249.db2.gz SLWQRXJLYICBIR-UHFFFAOYSA-N 1 0 264.300 3.108 20 5 CGBDRO CC[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152206211 188001933 /nfs/dbraw/zinc/00/19/33/188001933.db2.gz RABMPQGVPYMHNW-VXGBXAGGSA-N 1 0 250.342 3.304 20 5 CGBDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154682378 188156721 /nfs/dbraw/zinc/15/67/21/188156721.db2.gz GBRRGFBUVKBHSN-KGLIPLIRSA-N 1 0 294.395 3.290 20 5 CGBDRO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158033348 188354026 /nfs/dbraw/zinc/35/40/26/188354026.db2.gz VCAZTDJJHXOTNJ-SMDDNHRTSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)([NH2+]C[C@H]1CCC=CO1)c1ccccc1[N+](=O)[O-] ZINC000292726872 198391119 /nfs/dbraw/zinc/39/11/19/198391119.db2.gz FYAOAKATERXUMT-GFCCVEGCSA-N 1 0 276.336 3.112 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159291232 188419155 /nfs/dbraw/zinc/41/91/55/188419155.db2.gz ZJRIMCVUJIPBSZ-LLVKDONJSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[N@H+](CC)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000313074880 535300935 /nfs/dbraw/zinc/30/09/35/535300935.db2.gz KPYRQKQECDFOOZ-UHFFFAOYSA-N 1 0 283.347 3.186 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123638988 138368865 /nfs/dbraw/zinc/36/88/65/138368865.db2.gz OJYPNLBSAISGSQ-HOTGVXAUSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000310984028 138583237 /nfs/dbraw/zinc/58/32/37/138583237.db2.gz ULGVGXDTOZFUAX-UHFFFAOYSA-N 1 0 252.289 3.156 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H](C)C1 ZINC000436405804 237096801 /nfs/dbraw/zinc/09/68/01/237096801.db2.gz FIHSJIOWSABNAF-AAEUAGOBSA-N 1 0 278.352 3.272 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686560 189137051 /nfs/dbraw/zinc/13/70/51/189137051.db2.gz SZCKTXFIMSCKKG-NWDGAFQWSA-N 1 0 266.341 3.061 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000179397925 189190851 /nfs/dbraw/zinc/19/08/51/189190851.db2.gz DITXUSGNNFJEBE-JTQLQIEISA-N 1 0 264.325 3.054 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000301559200 201069908 /nfs/dbraw/zinc/06/99/08/201069908.db2.gz JOTUOCUALFEUDN-QWHCGFSZSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)c1cccnc1 ZINC000183717859 189366430 /nfs/dbraw/zinc/36/64/30/189366430.db2.gz XWXJHWUBAHUNNZ-ZDUSSCGKSA-N 1 0 285.347 3.491 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000301986636 201288886 /nfs/dbraw/zinc/28/88/86/201288886.db2.gz KHMHXCACKHBUOT-LLVKDONJSA-N 1 0 283.397 3.189 20 5 CGBDRO CCC[NH+]1CCC(CNc2sccc2[N+](=O)[O-])CC1 ZINC000301998683 201293196 /nfs/dbraw/zinc/29/31/96/201293196.db2.gz QRBYLLUOXVKSCT-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@@H]1CCCO1 ZINC000449111438 239186940 /nfs/dbraw/zinc/18/69/40/239186940.db2.gz LZWBNAOWTFAQCQ-IPYPFGDCSA-N 1 0 292.379 3.073 20 5 CGBDRO CSCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154729 239207371 /nfs/dbraw/zinc/20/73/71/239207371.db2.gz JJFBJTNRWOUYBT-LBPRGKRZSA-N 1 0 282.409 3.259 20 5 CGBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000119707891 370701371 /nfs/dbraw/zinc/70/13/71/370701371.db2.gz UWKCGPQCAKWFTJ-UHFFFAOYSA-N 1 0 280.368 3.016 20 5 CGBDRO CCOCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451553251 240325460 /nfs/dbraw/zinc/32/54/60/240325460.db2.gz XYZIGVHFZBQEBL-HNNXBMFYSA-N 1 0 292.379 3.201 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453112343 240707822 /nfs/dbraw/zinc/70/78/22/240707822.db2.gz CJWIOPVRWKWFME-HNNXBMFYSA-N 1 0 285.347 3.273 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000247189771 299380430 /nfs/dbraw/zinc/38/04/30/299380430.db2.gz UHZJUMZMILBMQT-KSYCFECVSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000481587639 243199617 /nfs/dbraw/zinc/19/96/17/243199617.db2.gz LVPWMSUADOUEEJ-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483868693 243301636 /nfs/dbraw/zinc/30/16/36/243301636.db2.gz NLKAHPXBHPRGLX-MRVWCRGKSA-N 1 0 294.395 3.351 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330619503 203046986 /nfs/dbraw/zinc/04/69/86/203046986.db2.gz ZCOCPMKVJOPRLG-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000035012998 368989550 /nfs/dbraw/zinc/98/95/50/368989550.db2.gz YDTNSYQQXAEELD-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO COCC1(C)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330649161 203076483 /nfs/dbraw/zinc/07/64/83/203076483.db2.gz KSODZCMDJXPKST-ZDUSSCGKSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)cc1 ZINC000037562520 369088571 /nfs/dbraw/zinc/08/85/71/369088571.db2.gz CCYFNMJLZFRGRW-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc(F)cc2)cs1 ZINC000037562421 369088637 /nfs/dbraw/zinc/08/86/37/369088637.db2.gz GOKGLPJWWSQGBL-UHFFFAOYSA-N 1 0 280.324 3.128 20 5 CGBDRO COc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037847103 369119680 /nfs/dbraw/zinc/11/96/80/369119680.db2.gz YYMMBVBFEUNRHY-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO COc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000037847102 369119870 /nfs/dbraw/zinc/11/98/70/369119870.db2.gz YYMMBVBFEUNRHY-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814780 369233959 /nfs/dbraw/zinc/23/39/59/369233959.db2.gz UWNNSVHLQRNTRL-LSDHHAIUSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049502142 369405484 /nfs/dbraw/zinc/40/54/84/369405484.db2.gz GFROFQZSNXPQAO-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219190929 376196219 /nfs/dbraw/zinc/19/62/19/376196219.db2.gz NWCNPUQFJSPUFL-XHDPSFHLSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000053302785 369481828 /nfs/dbraw/zinc/48/18/28/369481828.db2.gz SVWQHHGSYYPEBR-UHFFFAOYSA-N 1 0 256.733 3.036 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000058603248 369571230 /nfs/dbraw/zinc/57/12/30/369571230.db2.gz QDOAHHCLQJQLKH-UHFFFAOYSA-N 1 0 277.368 3.127 20 5 CGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000057622876 369543600 /nfs/dbraw/zinc/54/36/00/369543600.db2.gz AGGZIHANKGPALE-INIZCTEOSA-N 1 0 285.347 3.270 20 5 CGBDRO Cc1ccc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000062075765 369618239 /nfs/dbraw/zinc/61/82/39/369618239.db2.gz NRTUMHXLZSZCPC-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000068836558 369749213 /nfs/dbraw/zinc/74/92/13/369749213.db2.gz HDSVSLUHATWPLO-QGZVFWFLSA-N 1 0 299.374 3.180 20 5 CGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000507119581 244808965 /nfs/dbraw/zinc/80/89/65/244808965.db2.gz YKWBJWKNHSBULW-CYBMUJFWSA-N 1 0 260.337 3.383 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090716404 370065121 /nfs/dbraw/zinc/06/51/21/370065121.db2.gz CRYMHVLGJFBHPU-HZPDHXFCSA-N 1 0 292.379 3.451 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093760772 370155251 /nfs/dbraw/zinc/15/52/51/370155251.db2.gz RPXWLXADMUMERW-GBXSZLQWSA-N 1 0 292.404 3.435 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C(C)(C)C ZINC000114475178 370502073 /nfs/dbraw/zinc/50/20/73/370502073.db2.gz IBQQSTRRZCXXBJ-SNVBAGLBSA-N 1 0 266.341 3.128 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000134583599 371351374 /nfs/dbraw/zinc/35/13/74/371351374.db2.gz NHAJJOAHDTVSIC-AWEZNQCLSA-N 1 0 280.393 3.312 20 5 CGBDRO CSC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000135385155 371420704 /nfs/dbraw/zinc/42/07/04/371420704.db2.gz KOVLRMZSABIISP-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO CSCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135467229 371428745 /nfs/dbraw/zinc/42/87/45/371428745.db2.gz HVDLWDKLNRHNIJ-NSHDSACASA-N 1 0 268.382 3.389 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000145253975 371517699 /nfs/dbraw/zinc/51/76/99/371517699.db2.gz LPONZONYLXOMPI-MRVPVSSYSA-N 1 0 262.231 3.025 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000289972308 371867186 /nfs/dbraw/zinc/86/71/86/371867186.db2.gz DEMXQUGGJUDDCR-UHFFFAOYSA-N 1 0 286.397 3.199 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344069310 217037046 /nfs/dbraw/zinc/03/70/46/217037046.db2.gz QZTVDCUWWAXVOL-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO CC1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000158022973 372048654 /nfs/dbraw/zinc/04/86/54/372048654.db2.gz XYCPPEPZNXOKNQ-UHFFFAOYSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329212 372161089 /nfs/dbraw/zinc/16/10/89/372161089.db2.gz VPEPLJWRIRLBQT-NEPJUHHUSA-N 1 0 266.341 3.013 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160446690 372248586 /nfs/dbraw/zinc/24/85/86/372248586.db2.gz DCVXQMYWJUPVMW-CQSZACIVSA-N 1 0 289.379 3.050 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294017564 372557023 /nfs/dbraw/zinc/55/70/23/372557023.db2.gz DPSYABYTPHJDSG-ZANVPECISA-N 1 0 263.341 3.016 20 5 CGBDRO CC[C@@H](CCO)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167382675 372594572 /nfs/dbraw/zinc/59/45/72/372594572.db2.gz UKGSBVIBFXTVDA-NSHDSACASA-N 1 0 289.335 3.024 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000168685978 372616657 /nfs/dbraw/zinc/61/66/57/372616657.db2.gz WMEIALCFEMSMBB-AAEUAGOBSA-N 1 0 280.393 3.449 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433796714 372634071 /nfs/dbraw/zinc/63/40/71/372634071.db2.gz PLIMJIXJPJJSFU-HNNXBMFYSA-N 1 0 289.379 3.332 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344595586 217242004 /nfs/dbraw/zinc/24/20/04/217242004.db2.gz VGDIWVFJJWOFKM-GXTWGEPZSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295497932 372803935 /nfs/dbraw/zinc/80/39/35/372803935.db2.gz NQSMOQXOGZBUPW-OLZOCXBDSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)[N@H+](CCOCC1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000172761319 373028962 /nfs/dbraw/zinc/02/89/62/373028962.db2.gz BYRXGDXNTUHGGT-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173365039 373130952 /nfs/dbraw/zinc/13/09/52/373130952.db2.gz PNSZVBCNUNHQHU-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO CCOCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344859455 217336169 /nfs/dbraw/zinc/33/61/69/217336169.db2.gz OXBSCVUHHBIVFK-RAXLEYEMSA-N 1 0 278.352 3.014 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173428363 373139690 /nfs/dbraw/zinc/13/96/90/373139690.db2.gz WPAYVIVFQWJXJY-GXTWGEPZSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173454836 373142168 /nfs/dbraw/zinc/14/21/68/373142168.db2.gz HQQWZVRQTINRRS-CHWSQXEVSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296558618 373175564 /nfs/dbraw/zinc/17/55/64/373175564.db2.gz SBUWXWSHJIXJKA-IUODEOHRSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1c(C[N@@H+]2CCCC23CCC3)cccc1[N+](=O)[O-] ZINC000444783433 373273725 /nfs/dbraw/zinc/27/37/25/373273725.db2.gz KXHLZWPNLJBJLC-UHFFFAOYSA-N 1 0 260.337 3.422 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446724436 373347169 /nfs/dbraw/zinc/34/71/69/373347169.db2.gz DBXYOPGBJYHEAO-AWEZNQCLSA-N 1 0 292.379 3.342 20 5 CGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000446894566 373378858 /nfs/dbraw/zinc/37/88/58/373378858.db2.gz NZZGIXYFFRPWBP-MRXNPFEDSA-N 1 0 292.379 3.030 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CCCO1 ZINC000345044412 217393702 /nfs/dbraw/zinc/39/37/02/217393702.db2.gz PEESFZYWZDTYMK-LRFDDAOPSA-N 1 0 290.363 3.157 20 5 CGBDRO CCC[NH+]1CCC(N(C)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301062845 373644419 /nfs/dbraw/zinc/64/44/19/373644419.db2.gz AKGLFKLICXJCLE-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO CNc1ccc(Nc2ccc([N+](=O)[O-])c(C)c2)cn1 ZINC000301076336 373650110 /nfs/dbraw/zinc/65/01/10/373650110.db2.gz DTZPNUUSKXJPGW-UHFFFAOYSA-N 1 0 258.281 3.084 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)cs1 ZINC000449477239 373765901 /nfs/dbraw/zinc/76/59/01/373765901.db2.gz OSJFPBOJHKBZET-NSHDSACASA-N 1 0 296.392 3.095 20 5 CGBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449499829 373796236 /nfs/dbraw/zinc/79/62/36/373796236.db2.gz MIBDFRYRCIWOFG-XJKSGUPXSA-N 1 0 292.379 3.150 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000449760102 373887321 /nfs/dbraw/zinc/88/73/21/373887321.db2.gz LVYHMFSIRLAIJH-VXGBXAGGSA-N 1 0 284.381 3.094 20 5 CGBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000302433813 373867825 /nfs/dbraw/zinc/86/78/25/373867825.db2.gz QFPKIICVCVZCBX-CYBMUJFWSA-N 1 0 277.368 3.271 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302773296 373957732 /nfs/dbraw/zinc/95/77/32/373957732.db2.gz NTOVLLQFCXBRPO-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000449778421 373907270 /nfs/dbraw/zinc/90/72/70/373907270.db2.gz SFUYSBHSYPQWAW-CQSZACIVSA-N 1 0 292.379 3.152 20 5 CGBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896517 374211627 /nfs/dbraw/zinc/21/16/27/374211627.db2.gz GNQXACFBOOHHNI-XJKSGUPXSA-N 1 0 290.363 3.158 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311683515 374253765 /nfs/dbraw/zinc/25/37/65/374253765.db2.gz JMVSKEPTBVJPQN-NSHDSACASA-N 1 0 266.316 3.212 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311879754 374258964 /nfs/dbraw/zinc/25/89/64/374258964.db2.gz MUVWHUXCSQEQST-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@H](N[C@@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870262 374323622 /nfs/dbraw/zinc/32/36/22/374323622.db2.gz FUSARQDZHLZTDV-BBRMVZONSA-N 1 0 293.411 3.364 20 5 CGBDRO CC[C@H](N[C@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870271 374323704 /nfs/dbraw/zinc/32/37/04/374323704.db2.gz FUSARQDZHLZTDV-CJNGLKHVSA-N 1 0 293.411 3.364 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000331171665 374510772 /nfs/dbraw/zinc/51/07/72/374510772.db2.gz OFJBQIMTAOEWDG-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332075503 374551883 /nfs/dbraw/zinc/55/18/83/374551883.db2.gz XYFKOXMCVDBMGR-VCTAVGKDSA-N 1 0 292.404 3.313 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185190712 374605601 /nfs/dbraw/zinc/60/56/01/374605601.db2.gz ACVYJGNWYLQZPP-OLZOCXBDSA-N 1 0 298.408 3.340 20 5 CGBDRO CC1(C)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464793835 374901192 /nfs/dbraw/zinc/90/11/92/374901192.db2.gz KYCASVFEWFPEBW-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000487977026 375289956 /nfs/dbraw/zinc/28/99/56/375289956.db2.gz FMFLQOKXPCRBSX-XJKSGUPXSA-N 1 0 292.379 3.232 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@@H](C)O1 ZINC000190428560 375508851 /nfs/dbraw/zinc/50/88/51/375508851.db2.gz YYTLDUSHHVAZLI-CZUORRHYSA-N 1 0 292.379 3.373 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191656520 375648124 /nfs/dbraw/zinc/64/81/24/375648124.db2.gz KRVZRIQWWBQRDJ-SLEUVZQESA-N 1 0 280.368 3.449 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000192933976 375804975 /nfs/dbraw/zinc/80/49/75/375804975.db2.gz HEQZMCMCYAAORO-FZMZJTMJSA-N 1 0 288.351 3.130 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000193014307 375815246 /nfs/dbraw/zinc/81/52/46/375815246.db2.gz XEJZGPCJJRLMGN-VXGBXAGGSA-N 1 0 288.351 3.049 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336842578 376005420 /nfs/dbraw/zinc/00/54/20/376005420.db2.gz UZGOFQSYAVMXDT-NSHDSACASA-N 1 0 283.347 3.185 20 5 CGBDRO C=Cn1cc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000194354916 375989471 /nfs/dbraw/zinc/98/94/71/375989471.db2.gz NDASVSSWUDNUEW-LBPRGKRZSA-N 1 0 286.335 3.051 20 5 CGBDRO CC(C)[N@H+](C)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000225586521 376316132 /nfs/dbraw/zinc/31/61/32/376316132.db2.gz WEVWMFHLTXPENO-UHFFFAOYSA-N 1 0 299.802 3.068 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000539061767 376290390 /nfs/dbraw/zinc/29/03/90/376290390.db2.gz XMZPGINEZCTJCT-RWMBFGLXSA-N 1 0 278.352 3.121 20 5 CGBDRO COC[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000539083399 376292093 /nfs/dbraw/zinc/29/20/93/376292093.db2.gz IEHSZDJYVVOAMJ-INIZCTEOSA-N 1 0 294.395 3.178 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540151657 376360609 /nfs/dbraw/zinc/36/06/09/376360609.db2.gz UCTGSGYSWUAGQF-QWRGUYRKSA-N 1 0 268.382 3.305 20 5 CGBDRO C[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000231675597 376564526 /nfs/dbraw/zinc/56/45/26/376564526.db2.gz IOKMLEXROGSYRB-VIFPVBQESA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1nc(C)c(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000231884314 376575185 /nfs/dbraw/zinc/57/51/85/376575185.db2.gz DLHMRSKIKIVGDF-UHFFFAOYSA-N 1 0 291.376 3.266 20 5 CGBDRO Cc1c(C[NH2+]C2CC(C(C)C)C2)cccc1[N+](=O)[O-] ZINC000232538117 376582217 /nfs/dbraw/zinc/58/22/17/376582217.db2.gz OBWPVURAENUVAD-UHFFFAOYSA-N 1 0 262.353 3.427 20 5 CGBDRO CCc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)nc1 ZINC000339175061 376725110 /nfs/dbraw/zinc/72/51/10/376725110.db2.gz XROBOYHRZLLYDT-UHFFFAOYSA-N 1 0 299.374 3.227 20 5 CGBDRO Cc1cc(N2CC[C@](C)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543975730 376690261 /nfs/dbraw/zinc/69/02/61/376690261.db2.gz HKHNOEAPVRQEJG-HNNXBMFYSA-N 1 0 289.310 3.390 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000544786873 376762589 /nfs/dbraw/zinc/76/25/89/376762589.db2.gz UZLRRQZGUGGYFI-LBPRGKRZSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000544786872 376763511 /nfs/dbraw/zinc/76/35/11/376763511.db2.gz UZLRRQZGUGGYFI-GFCCVEGCSA-N 1 0 262.353 3.463 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245528599 376843257 /nfs/dbraw/zinc/84/32/57/376843257.db2.gz QTRDQGINDSZHNE-ZIAGYGMSSA-N 1 0 292.379 3.323 20 5 CGBDRO CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000558251450 376987478 /nfs/dbraw/zinc/98/74/78/376987478.db2.gz VUQMPVRIGFMSRS-HUUCEWRRSA-N 1 0 292.379 3.388 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC[C@@H](C)F)cccc1[N+](=O)[O-] ZINC000340466688 377076627 /nfs/dbraw/zinc/07/66/27/377076627.db2.gz DRWKEZVTBPSXPR-MWLCHTKSSA-N 1 0 254.305 3.302 20 5 CGBDRO CCC(CC)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000561781739 377245103 /nfs/dbraw/zinc/24/51/03/377245103.db2.gz DMVDUQVSVDNZSB-UHFFFAOYSA-N 1 0 275.352 3.397 20 5 CGBDRO COCC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562626549 377338513 /nfs/dbraw/zinc/33/85/13/377338513.db2.gz BDPOVJAFJWBAPG-LBPRGKRZSA-N 1 0 280.368 3.226 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CCCF)c2cc([N+](=O)[O-])ccc21 ZINC000562415950 377306878 /nfs/dbraw/zinc/30/68/78/377306878.db2.gz YDHKSYMXTXEAEG-CYBMUJFWSA-N 1 0 266.316 3.266 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000341107801 377400889 /nfs/dbraw/zinc/40/08/89/377400889.db2.gz SAJYWOPBJVCVJP-RYUDHWBXSA-N 1 0 295.358 3.409 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000516551545 249236407 /nfs/dbraw/zinc/23/64/07/249236407.db2.gz YLJOPGBGIBQJIW-OAHLLOKOSA-N 1 0 274.364 3.425 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000252206597 377617540 /nfs/dbraw/zinc/61/75/40/377617540.db2.gz XGRGCFRDDTXDLZ-CKYFFXLPSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000252092227 377612860 /nfs/dbraw/zinc/61/28/60/377612860.db2.gz DVIPWDFHXAVLCO-NWDGAFQWSA-N 1 0 295.358 3.266 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268828166 378124082 /nfs/dbraw/zinc/12/40/82/378124082.db2.gz VEVFIQIIICLYQO-UGFHNGPFSA-N 1 0 274.364 3.162 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000580328958 378241192 /nfs/dbraw/zinc/24/11/92/378241192.db2.gz IFVMFNJBCSPCOH-QGZVFWFLSA-N 1 0 297.358 3.263 20 5 CGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271976936 378534819 /nfs/dbraw/zinc/53/48/19/378534819.db2.gz JFNIQWUALSYARX-CHWSQXEVSA-N 1 0 298.408 3.340 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272477217 378646119 /nfs/dbraw/zinc/64/61/19/378646119.db2.gz GEPBXJSBOUODIY-IVMMDQJWSA-N 1 0 292.379 3.139 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1(C)CCC1 ZINC000348666936 379013160 /nfs/dbraw/zinc/01/31/60/379013160.db2.gz CHBAMCHFWKPXNL-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO CC[C@H]([NH2+]C1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000277024515 379047768 /nfs/dbraw/zinc/04/77/68/379047768.db2.gz DPWZWVOZZDCKPI-LBPRGKRZSA-N 1 0 270.279 3.433 20 5 CGBDRO Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000280621026 379748525 /nfs/dbraw/zinc/74/85/25/379748525.db2.gz ZUAIVHHKXOYURI-ZFWWWQNUSA-N 1 0 292.379 3.029 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402106116 379962908 /nfs/dbraw/zinc/96/29/08/379962908.db2.gz WUSKPTLOTGKJOX-OLZOCXBDSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352803675 379969864 /nfs/dbraw/zinc/96/98/64/379969864.db2.gz ZAMUTXZHLQILRQ-LDYMZIIASA-N 1 0 286.784 3.089 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000408174908 379996472 /nfs/dbraw/zinc/99/64/72/379996472.db2.gz ODNFIPQSOLQXPX-CYBMUJFWSA-N 1 0 290.363 3.077 20 5 CGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963582 380255553 /nfs/dbraw/zinc/25/55/53/380255553.db2.gz XTOHCYNZSUJXDT-HOCLYGCPSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000414285482 380207974 /nfs/dbraw/zinc/20/79/74/380207974.db2.gz RSQDMOCDTITCLC-OWTLIXCDSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1ccc(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000353932455 380242616 /nfs/dbraw/zinc/24/26/16/380242616.db2.gz SLWORQDZRSGXKC-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000414506283 380281848 /nfs/dbraw/zinc/28/18/48/380281848.db2.gz WJVKNRHBHNDZAX-WBMJQRKESA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc(CNCC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000414856884 380457784 /nfs/dbraw/zinc/45/77/84/380457784.db2.gz BEZPBLOYHCIJRX-UHFFFAOYSA-N 1 0 291.395 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCO1)CCCC2 ZINC000417299398 380586157 /nfs/dbraw/zinc/58/61/57/380586157.db2.gz MSUWBWIGEFDWRM-ZBFHGGJFSA-N 1 0 290.363 3.131 20 5 CGBDRO CC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000355128095 380589493 /nfs/dbraw/zinc/58/94/93/380589493.db2.gz UUAQTRBGPJGZIH-UHFFFAOYSA-N 1 0 252.289 3.014 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOC1)CCCC2 ZINC000417325410 380593174 /nfs/dbraw/zinc/59/31/74/380593174.db2.gz BYFIHHRKRUZKHA-BBRMVZONSA-N 1 0 290.363 3.131 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417365502 380611161 /nfs/dbraw/zinc/61/11/61/380611161.db2.gz NPWXJPBGSHVRGF-YPMHNXCESA-N 1 0 260.337 3.354 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356850438 380901155 /nfs/dbraw/zinc/90/11/55/380901155.db2.gz QLTAYLCYCCYTKP-KCQAQPDRSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000357342904 381117069 /nfs/dbraw/zinc/11/70/69/381117069.db2.gz FBTPEOKUEJVXPO-ZBFHGGJFSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc(C[NH2+]CCC(C)(F)F)cc1[N+](=O)[O-] ZINC000357716012 381263438 /nfs/dbraw/zinc/26/34/38/381263438.db2.gz ZOCNDCCXMDHKLU-UHFFFAOYSA-N 1 0 258.268 3.038 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@H+](CCO)CC2CCCCC2)cs1 ZINC000362528203 382040805 /nfs/dbraw/zinc/04/08/05/382040805.db2.gz KHCOVGLFASALJF-UHFFFAOYSA-N 1 0 298.408 3.031 20 5 CGBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000291264364 285016555 /nfs/dbraw/zinc/01/65/55/285016555.db2.gz PASQQGWUEJAHRJ-VXGBXAGGSA-N 1 0 266.341 3.013 20 5 CGBDRO CC[C@@H]([NH2+]CCCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010559 260061983 /nfs/dbraw/zinc/06/19/83/260061983.db2.gz VDWCOJGIQBBXFL-OAHLLOKOSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048336927 391996605 /nfs/dbraw/zinc/99/66/05/391996605.db2.gz CNYJXGKZGJCLMR-CHWSQXEVSA-N 1 0 295.770 3.287 20 5 CGBDRO Cc1ccc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000049502240 392052241 /nfs/dbraw/zinc/05/22/41/392052241.db2.gz ZMIRKSOSRKDBAV-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000050965692 392066657 /nfs/dbraw/zinc/06/66/57/392066657.db2.gz KHNSJMDQLBWYPZ-UHFFFAOYSA-N 1 0 290.363 3.094 20 5 CGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361239570 392262270 /nfs/dbraw/zinc/26/22/70/392262270.db2.gz VYMIXAGNMIWHGH-GJZGRUSLSA-N 1 0 292.379 3.277 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000361805550 392329235 /nfs/dbraw/zinc/32/92/35/392329235.db2.gz VNJSYYLIXPDVOV-SGMGOOAPSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)[NH2+]C1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000108370329 392342517 /nfs/dbraw/zinc/34/25/17/392342517.db2.gz UAEJDBGENCVTLD-ZDUSSCGKSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000361900598 392357807 /nfs/dbraw/zinc/35/78/07/392357807.db2.gz NXHIMSXJOIIXRY-NEPJUHHUSA-N 1 0 298.408 3.338 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000180930939 392715935 /nfs/dbraw/zinc/71/59/35/392715935.db2.gz UPNCOQUPPXHJJQ-MNOVXSKESA-N 1 0 288.351 3.347 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000510662923 392808582 /nfs/dbraw/zinc/80/85/82/392808582.db2.gz INNNRLLINUOHBX-HUUCEWRRSA-N 1 0 274.364 3.306 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414289745 393047294 /nfs/dbraw/zinc/04/72/94/393047294.db2.gz ICIKDLVBLNVTTB-BYCMXARLSA-N 1 0 280.368 3.041 20 5 CGBDRO C[NH2+]Cc1ccc(NCc2ccc([N+](=O)[O-])cc2C)cc1 ZINC000414977945 393076378 /nfs/dbraw/zinc/07/63/78/393076378.db2.gz RGJRGGBVTAFHNW-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO Cc1cccc2c1C[NH2+]CCN2Cc1cccc([N+](=O)[O-])c1 ZINC000415081112 393133292 /nfs/dbraw/zinc/13/32/92/393133292.db2.gz BOXXQXMBIGIKTO-UHFFFAOYSA-N 1 0 297.358 3.013 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCSCC1 ZINC000468637714 393156519 /nfs/dbraw/zinc/15/65/19/393156519.db2.gz KDPXVIKLTZJGPQ-FMIVXFBMSA-N 1 0 292.404 3.483 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1CC1 ZINC000470174110 393230131 /nfs/dbraw/zinc/23/01/31/393230131.db2.gz QMKLEUPBQJKNEX-WQLSENKSSA-N 1 0 260.337 3.340 20 5 CGBDRO CCOCC[N@H+](CC)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470183553 393231299 /nfs/dbraw/zinc/23/12/99/393231299.db2.gz OEOAUGDJHYGRRW-KAMYIIQDSA-N 1 0 292.379 3.357 20 5 CGBDRO C[C@H]([NH3+])[C@H](C)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420263245 393445039 /nfs/dbraw/zinc/44/50/39/393445039.db2.gz NLXZQCFABGIARR-WDSKDSINSA-N 1 0 278.139 3.049 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420274301 393447134 /nfs/dbraw/zinc/44/71/34/393447134.db2.gz FKAKLVBKWYNQMG-ZJUUUORDSA-N 1 0 283.759 3.178 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206726 393539921 /nfs/dbraw/zinc/53/99/21/393539921.db2.gz PCSSYLLESLKREE-QWRGUYRKSA-N 1 0 266.341 3.128 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000430215385 393540517 /nfs/dbraw/zinc/54/05/17/393540517.db2.gz GPMWPLHJHZNEIT-DOMZBBRYSA-N 1 0 290.363 3.368 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+](CC1CC1)CC1CC1 ZINC000430209262 393539007 /nfs/dbraw/zinc/53/90/07/393539007.db2.gz QZKNZDOHUZODSQ-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO COc1ccc(C[N@H+]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430283062 393557448 /nfs/dbraw/zinc/55/74/48/393557448.db2.gz HZKZXYPWLGBQTE-NSHDSACASA-N 1 0 276.336 3.001 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H](C3CC3)C2)cc1 ZINC000491116491 393666926 /nfs/dbraw/zinc/66/69/26/393666926.db2.gz JUAHJMZVUUGZAK-AWEZNQCLSA-N 1 0 290.363 3.096 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453390783 394228823 /nfs/dbraw/zinc/22/88/23/394228823.db2.gz YKXGAIMNXRIWRH-JYJNAYRXSA-N 1 0 292.379 3.111 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453428237 394243940 /nfs/dbraw/zinc/24/39/40/394243940.db2.gz PQBGOULDWNCFMV-QWHCGFSZSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1F ZINC000550927475 289090816 /nfs/dbraw/zinc/09/08/16/289090816.db2.gz BSUVEKPZZIFHTI-GDLCADMTSA-N 1 0 266.316 3.444 20 5 CGBDRO Cc1csc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000080311546 165155156 /nfs/dbraw/zinc/15/51/56/165155156.db2.gz VURREKFTENMJRC-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513295 165207878 /nfs/dbraw/zinc/20/78/78/165207878.db2.gz KKFZKXRNFRKGGM-MRVPVSSYSA-N 1 0 262.231 3.025 20 5 CGBDRO CC[C@H]([NH2+][C@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090918470 165246323 /nfs/dbraw/zinc/24/63/23/165246323.db2.gz MQFSLDFGBGCKBY-LSDHHAIUSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000090857717 165246730 /nfs/dbraw/zinc/24/67/30/165246730.db2.gz YQSQOERTANITHL-CQDKDKBSSA-N 1 0 278.352 3.203 20 5 CGBDRO CCC[C@H]([NH2+]CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000020143029 171029309 /nfs/dbraw/zinc/02/93/09/171029309.db2.gz PLXUEVMYHVVFTR-AWEZNQCLSA-N 1 0 266.341 3.062 20 5 CGBDRO CCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284907563 196154401 /nfs/dbraw/zinc/15/44/01/196154401.db2.gz CMHJHDZRKZUPMC-JTQLQIEISA-N 1 0 263.341 3.018 20 5 CGBDRO CCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000284907565 196155307 /nfs/dbraw/zinc/15/53/07/196155307.db2.gz CMHJHDZRKZUPMC-SNVBAGLBSA-N 1 0 263.341 3.018 20 5 CGBDRO C[N@@H+]1CCC[C@H]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000126959799 287277549 /nfs/dbraw/zinc/27/75/49/287277549.db2.gz IITMOVFSUJFESM-ZDUSSCGKSA-N 1 0 280.393 3.312 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675944 174373480 /nfs/dbraw/zinc/37/34/80/174373480.db2.gz OSDVOFOHPSYOFC-RYUDHWBXSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000040675890 174373564 /nfs/dbraw/zinc/37/35/64/174373564.db2.gz IFHKITCROBOPES-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000040675891 174373565 /nfs/dbraw/zinc/37/35/65/174373565.db2.gz IFHKITCROBOPES-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO CC[NH+](CC)[C@@H](CNc1ncccc1[N+](=O)[O-])CC(C)C ZINC000058604564 175627343 /nfs/dbraw/zinc/62/73/43/175627343.db2.gz LSEZREFIBKXGSU-CYBMUJFWSA-N 1 0 294.399 3.158 20 5 CGBDRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536874448 288508979 /nfs/dbraw/zinc/50/89/79/288508979.db2.gz DCSUGPBZJPOZKN-TZMCWYRMSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000390907919 262361145 /nfs/dbraw/zinc/36/11/45/262361145.db2.gz MDJMMLOJYBZOCL-GFCCVEGCSA-N 1 0 284.306 3.428 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000391186600 262387240 /nfs/dbraw/zinc/38/72/40/262387240.db2.gz SVHHSXRBRLFVLF-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158058088 270052541 /nfs/dbraw/zinc/05/25/41/270052541.db2.gz QBMFMASGJBHMTA-DOMZBBRYSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303028929 270091990 /nfs/dbraw/zinc/09/19/90/270091990.db2.gz SXXAXAREXCJPST-MJBXVCDLSA-N 1 0 291.395 3.373 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000325085851 270094961 /nfs/dbraw/zinc/09/49/61/270094961.db2.gz HXLQQZPDCUXQEC-CYBMUJFWSA-N 1 0 278.352 3.272 20 5 CGBDRO COC(C)(C)C[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000527054844 270124814 /nfs/dbraw/zinc/12/48/14/270124814.db2.gz JAPNOWBASPMLLJ-UKTHLTGXSA-N 1 0 292.379 3.355 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000527371009 270128039 /nfs/dbraw/zinc/12/80/39/270128039.db2.gz SPAAMKBCAWQYGW-KSZJFAHPSA-N 1 0 290.363 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C23CCC(CC2)C3)cs1 ZINC000368257586 267156510 /nfs/dbraw/zinc/15/65/10/267156510.db2.gz ODIPISAYZCXVGC-UHFFFAOYSA-N 1 0 252.339 3.079 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959475 270211563 /nfs/dbraw/zinc/21/15/63/270211563.db2.gz DKSBFBSMVSNMHJ-UONOGXRCSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000532504157 270216516 /nfs/dbraw/zinc/21/65/16/270216516.db2.gz ZUTXECYLQQSNLU-OCCSQVGLSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532531338 270217168 /nfs/dbraw/zinc/21/71/68/270217168.db2.gz LZXQBKYEOKTWBT-FPMFFAJLSA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000533036662 270221020 /nfs/dbraw/zinc/22/10/20/270221020.db2.gz CIDPNOGFVVHKOH-UHFFFAOYSA-N 1 0 262.353 3.258 20 5 CGBDRO COCC[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174574 274039049 /nfs/dbraw/zinc/03/90/49/274039049.db2.gz NIWMUSSZCGUIOK-IAQYHMDHSA-N 1 0 292.379 3.332 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000253232846 287848077 /nfs/dbraw/zinc/84/80/77/287848077.db2.gz IHQQTYSDYHTRSQ-VBNZEHGJSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000106866791 276002241 /nfs/dbraw/zinc/00/22/41/276002241.db2.gz VJLPJNJKDDRCGA-MRXNPFEDSA-N 1 0 292.379 3.376 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000195557944 276118314 /nfs/dbraw/zinc/11/83/14/276118314.db2.gz QPETYBLILLXELG-SNVBAGLBSA-N 1 0 285.775 3.390 20 5 CGBDRO COCC1([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000518668363 277485050 /nfs/dbraw/zinc/48/50/50/277485050.db2.gz PWQXULOVGAZRQA-CQSZACIVSA-N 1 0 290.363 3.086 20 5 CGBDRO CSC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000356207770 278124298 /nfs/dbraw/zinc/12/42/98/278124298.db2.gz BYZIYOUTTVNNTR-UHFFFAOYSA-N 1 0 292.404 3.239 20 5 CGBDRO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000087088924 278340923 /nfs/dbraw/zinc/34/09/23/278340923.db2.gz AZVNEEQTSFYPIY-CYBMUJFWSA-N 1 0 292.379 3.331 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000125475349 278378448 /nfs/dbraw/zinc/37/84/48/278378448.db2.gz ARENSMDEGCSWLT-VXGBXAGGSA-N 1 0 278.352 3.061 20 5 CGBDRO CC1(C2([NH2+]Cc3csc([N+](=O)[O-])c3)CC2)CC1 ZINC000398182261 288040325 /nfs/dbraw/zinc/04/03/25/288040325.db2.gz MVZVXSDBDLFRMJ-UHFFFAOYSA-N 1 0 252.339 3.079 20 5 CGBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000339001435 279355647 /nfs/dbraw/zinc/35/56/47/279355647.db2.gz HQPBHJSCCMYJHM-CHWSQXEVSA-N 1 0 277.368 3.270 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271557453 280960028 /nfs/dbraw/zinc/96/00/28/280960028.db2.gz SYOZWGMITIFIMD-KYOSRNDESA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000542706081 288767766 /nfs/dbraw/zinc/76/77/66/288767766.db2.gz ONVCADILXFKOMI-GOEBONIOSA-N 1 0 292.379 3.196 20 5 CGBDRO CC(C)(C)CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000556003268 289366965 /nfs/dbraw/zinc/36/69/65/289366965.db2.gz BSXYURQSVPMWKN-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000556454198 289393571 /nfs/dbraw/zinc/39/35/71/289393571.db2.gz SMBZKENOLRZJFC-SWLSCSKDSA-N 1 0 290.363 3.205 20 5 CGBDRO CCCC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152522332 321700409 /nfs/dbraw/zinc/70/04/09/321700409.db2.gz MLUWSOLCZYEXJC-LLVKDONJSA-N 1 0 266.341 3.444 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000563418094 321996266 /nfs/dbraw/zinc/99/62/66/321996266.db2.gz TUHXZMDGLWKRSF-WDMOLILDSA-N 1 0 278.327 3.452 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000563542195 322002146 /nfs/dbraw/zinc/00/21/46/322002146.db2.gz ZDPZSJFJVNCCJZ-MAZHCROVSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565218483 322067211 /nfs/dbraw/zinc/06/72/11/322067211.db2.gz RIKGKPSYXPDXBS-GWCFXTLKSA-N 1 0 280.393 3.313 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C=CCCC1 ZINC000566475219 322124955 /nfs/dbraw/zinc/12/49/55/322124955.db2.gz LJYHDEWHCHIUEJ-BXUZGUMPSA-N 1 0 258.321 3.280 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000568034968 322189387 /nfs/dbraw/zinc/18/93/87/322189387.db2.gz HLWKHZNYZIINNI-LBPRGKRZSA-N 1 0 265.357 3.127 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000570792172 322282092 /nfs/dbraw/zinc/28/20/92/322282092.db2.gz XWICMUIPQXDHCC-KBPBESRZSA-N 1 0 292.379 3.371 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000572319393 322331220 /nfs/dbraw/zinc/33/12/20/322331220.db2.gz SWOKEHYQMUMSFL-AWEZNQCLSA-N 1 0 293.411 3.113 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC2(F)F)cc1 ZINC000381693392 329292061 /nfs/dbraw/zinc/29/20/61/329292061.db2.gz NUWDGJFPBHVXPU-LLVKDONJSA-N 1 0 270.279 3.120 20 5 CGBDRO CCOC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000576240068 335176521 /nfs/dbraw/zinc/17/65/21/335176521.db2.gz RDNCHTIMJMCDQF-GJZGRUSLSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578667572 335662073 /nfs/dbraw/zinc/66/20/73/335662073.db2.gz VQQKUNQFOIPPBW-ZYHUDNBSSA-N 1 0 286.335 3.105 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2C[C@H]2CC(C)C)cc1[N+](=O)[O-] ZINC000385234840 336142975 /nfs/dbraw/zinc/14/29/75/336142975.db2.gz TXNHIFCYXRFNGO-CHWSQXEVSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000311656571 500928847 /nfs/dbraw/zinc/92/88/47/500928847.db2.gz JAQRJUFCAVYGDX-OBCWZRDOSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449405572 533730208 /nfs/dbraw/zinc/73/02/08/533730208.db2.gz ZGEKCLRHAPGAMD-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1F ZINC000449059995 534253974 /nfs/dbraw/zinc/25/39/74/534253974.db2.gz BYLQSFRXORSNFS-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(F)(F)C1 ZINC000449333396 534254379 /nfs/dbraw/zinc/25/43/79/534254379.db2.gz BKKZDAWWYWPMMD-JTQLQIEISA-N 1 0 284.306 3.161 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1F ZINC000414306042 534254385 /nfs/dbraw/zinc/25/43/85/534254385.db2.gz GFLSMMQKCODZSK-IACUBPJLSA-N 1 0 280.343 3.396 20 5 CGBDRO CC[C@H](CCO)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000094948578 522146048 /nfs/dbraw/zinc/14/60/48/522146048.db2.gz SAHMAJNHMUCPKP-IUODEOHRSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449223485 527804426 /nfs/dbraw/zinc/80/44/26/527804426.db2.gz OGDJFTXVMSFCCL-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CC1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000358187495 527986671 /nfs/dbraw/zinc/98/66/71/527986671.db2.gz JWVAIHLPFZWHIC-AWEZNQCLSA-N 1 0 274.364 3.306 20 5 CGBDRO CC1(F)CC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000449371257 528014839 /nfs/dbraw/zinc/01/48/39/528014839.db2.gz SBEFTIGMHBTMRD-GQCTYLIASA-N 1 0 264.300 3.088 20 5 CGBDRO CC(C)COCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449068298 528094259 /nfs/dbraw/zinc/09/42/59/528094259.db2.gz RRNJJFFSAMOOHN-AWEZNQCLSA-N 1 0 294.395 3.178 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173332716 528656562 /nfs/dbraw/zinc/65/65/62/528656562.db2.gz HRTXXNPQICQBOH-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO CCC(CC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449066230 528804496 /nfs/dbraw/zinc/80/44/96/528804496.db2.gz ZEEMNLMFCRAACF-LLVKDONJSA-N 1 0 250.342 3.304 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411166026 528887271 /nfs/dbraw/zinc/88/72/71/528887271.db2.gz TZLDRFRYJMUKOZ-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO CCC[C@@H](N[C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262011 529021614 /nfs/dbraw/zinc/02/16/14/529021614.db2.gz LJUHZCXHGKPUSB-GOEBONIOSA-N 1 0 293.411 3.399 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417364294 529176056 /nfs/dbraw/zinc/17/60/56/529176056.db2.gz MPVWMKIPOMDTGG-GXTWGEPZSA-N 1 0 260.337 3.436 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414301801 529201344 /nfs/dbraw/zinc/20/13/44/529201344.db2.gz TZAZZLXKBZUAIH-ARFHVFGLSA-N 1 0 294.395 3.431 20 5 CGBDRO CC[N@@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000462824596 535765565 /nfs/dbraw/zinc/76/55/65/535765565.db2.gz FHOFMYVQPCSTNU-RNQWEJQRSA-N 1 0 292.379 3.355 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000453310365 535826611 /nfs/dbraw/zinc/82/66/11/535826611.db2.gz ZANJMVJJNKCPGP-SWLSCSKDSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000459780697 535948288 /nfs/dbraw/zinc/94/82/88/535948288.db2.gz RMJIRZHVIMXYRJ-DFBGVHRSSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453390786 536011433 /nfs/dbraw/zinc/01/14/33/536011433.db2.gz YKXGAIMNXRIWRH-XHSDSOJGSA-N 1 0 292.379 3.111 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000730807101 572376846 /nfs/dbraw/zinc/37/68/46/572376846.db2.gz YQFJZYVRVCZJGZ-VXGBXAGGSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746666448 572889400 /nfs/dbraw/zinc/88/94/00/572889400.db2.gz NPNVIZKDBIEMLZ-SECBINFHSA-N 1 0 254.717 3.090 20 5 CGBDRO CCC1(CC)CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750094050 573083433 /nfs/dbraw/zinc/08/34/33/573083433.db2.gz MYJLSLXQAPQLJW-OAHLLOKOSA-N 1 0 292.379 3.140 20 5 CGBDRO CCCCOCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963533 618034831 /nfs/dbraw/zinc/03/48/31/618034831.db2.gz KIQACMPQACKJHI-UHFFFAOYSA-N 1 0 286.759 3.155 20 5 CGBDRO CCCSC[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000892607744 618872510 /nfs/dbraw/zinc/87/25/10/618872510.db2.gz LVQOHGUSQHSISR-NSHDSACASA-N 1 0 268.382 3.216 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313604156 619180392 /nfs/dbraw/zinc/18/03/92/619180392.db2.gz BSKQQYVCZIEFJI-SNVBAGLBSA-N 1 0 278.283 3.048 20 5 CGBDRO COCC[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000840955393 619262894 /nfs/dbraw/zinc/26/28/94/619262894.db2.gz RGZUDDHVZVJJTP-JTQLQIEISA-N 1 0 286.759 3.010 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647461 619371645 /nfs/dbraw/zinc/37/16/45/619371645.db2.gz KUHKJEVRRRFXDY-JTQLQIEISA-N 1 0 291.738 3.494 20 5 CGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894420625 619530070 /nfs/dbraw/zinc/53/00/70/619530070.db2.gz VUMIKHUOUZLZHH-QWRGUYRKSA-N 1 0 298.770 3.010 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000895561779 619850264 /nfs/dbraw/zinc/85/02/64/619850264.db2.gz UJKZWBYUPDCDED-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000896952368 620112378 /nfs/dbraw/zinc/11/23/78/620112378.db2.gz OONWLOPXUXMNDO-WCQYABFASA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461127 620340047 /nfs/dbraw/zinc/34/00/47/620340047.db2.gz LMYDXIIZUWDCMY-NEBZKDRISA-N 1 0 274.364 3.477 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463215 620340187 /nfs/dbraw/zinc/34/01/87/620340187.db2.gz CGSOQFFVOBJOHR-CHWSQXEVSA-N 1 0 280.368 3.101 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897465850 620340432 /nfs/dbraw/zinc/34/04/32/620340432.db2.gz JGDCRODTHYQCEY-GFCCVEGCSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927021332 620563236 /nfs/dbraw/zinc/56/32/36/620563236.db2.gz MVRLHZWHFUNPLT-SWLSCSKDSA-N 1 0 278.352 3.205 20 5 CGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000902793541 621450143 /nfs/dbraw/zinc/45/01/43/621450143.db2.gz KRVMPLQUCZGKFN-GDBMZVCRSA-N 1 0 292.379 3.075 20 5 CGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000902969043 621502183 /nfs/dbraw/zinc/50/21/83/621502183.db2.gz AVJYXBZXHRITML-HUUCEWRRSA-N 1 0 292.379 3.341 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903109102 621582794 /nfs/dbraw/zinc/58/27/94/621582794.db2.gz DCSDNJOVVZOXSR-MRVPVSSYSA-N 1 0 292.257 3.206 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287307 621670683 /nfs/dbraw/zinc/67/06/83/621670683.db2.gz NNVYWVRMEQPRJN-VCTAVGKDSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287308 621670804 /nfs/dbraw/zinc/67/08/04/621670804.db2.gz NNVYWVRMEQPRJN-WKPIXPDZSA-N 1 0 260.337 3.434 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903331825 621706081 /nfs/dbraw/zinc/70/60/81/621706081.db2.gz NZNINONSWCKYFI-ZJUUUORDSA-N 1 0 284.331 3.198 20 5 CGBDRO C[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000226106029 622944966 /nfs/dbraw/zinc/94/49/66/622944966.db2.gz LLLZJVURLAPMPM-JTQLQIEISA-N 1 0 285.294 3.039 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000920339388 624480829 /nfs/dbraw/zinc/48/08/29/624480829.db2.gz HAAXWBSRYYIQCR-UHFFFAOYSA-N 1 0 283.397 3.331 20 5 CGBDRO CCC[NH+](CCC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000074171524 626136834 /nfs/dbraw/zinc/13/68/34/626136834.db2.gz UEODHXITDRBZRV-UHFFFAOYSA-N 1 0 276.340 3.024 20 5 CGBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000769929516 627590365 /nfs/dbraw/zinc/59/03/65/627590365.db2.gz ZVDBOWLUKVUFSS-MRXNPFEDSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CCC2)n1 ZINC000774260319 627970052 /nfs/dbraw/zinc/97/00/52/627970052.db2.gz QBSHTWOSTQJJES-KGLIPLIRSA-N 1 0 292.383 3.055 20 5 CGBDRO CCCC[N@H+](C)Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21 ZINC000774633916 628010456 /nfs/dbraw/zinc/01/04/56/628010456.db2.gz GNVWMCHICRCNFG-UHFFFAOYSA-N 1 0 296.758 3.287 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275047 628187616 /nfs/dbraw/zinc/18/76/16/628187616.db2.gz FSHMPIRBJGLTHG-DAXOMENPSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584671 628221081 /nfs/dbraw/zinc/22/10/81/628221081.db2.gz OHDNWDUFFNYKLU-HOTGVXAUSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC1(C)CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581580 628221310 /nfs/dbraw/zinc/22/13/10/628221310.db2.gz KNRQAYHBQKDBGX-HNNXBMFYSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCOC2CCC2)cccc1[N+](=O)[O-] ZINC000777119479 628250210 /nfs/dbraw/zinc/25/02/10/628250210.db2.gz BDNHAIXICDGHTA-GFCCVEGCSA-N 1 0 278.352 3.123 20 5 CGBDRO CCC(CC)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788595013 629067288 /nfs/dbraw/zinc/06/72/88/629067288.db2.gz QXKBNZHLOQWABP-JTQLQIEISA-N 1 0 265.357 3.264 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652175 629070957 /nfs/dbraw/zinc/07/09/57/629070957.db2.gz NGDNLAMQGHQEFW-MDZLAQPJSA-N 1 0 277.368 3.406 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875049 629389779 /nfs/dbraw/zinc/38/97/79/629389779.db2.gz XNAXJVDLGOXDKS-ZYHUDNBSSA-N 1 0 293.323 3.266 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[NH+](C3CC3)C3CC3)c2)c1 ZINC000863302657 629527969 /nfs/dbraw/zinc/52/79/69/629527969.db2.gz HXMHCENTFCYDSK-UHFFFAOYSA-N 1 0 298.346 3.043 20 5 CGBDRO CC1=C[C@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555209 630343031 /nfs/dbraw/zinc/34/30/31/630343031.db2.gz HPUOMSCZXLLLGP-JTQLQIEISA-N 1 0 264.300 3.132 20 5 CGBDRO CN(CC1([NH+](C)C)CCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804641836 630544652 /nfs/dbraw/zinc/54/46/52/630544652.db2.gz FAGLSNVJHHUIRS-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878373538 635480509 /nfs/dbraw/zinc/48/05/09/635480509.db2.gz NBQBLPBMHDEMHD-QWHCGFSZSA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1ccccc1CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553934 631794405 /nfs/dbraw/zinc/79/44/05/631794405.db2.gz NVQSHCIJMITOJF-CYBMUJFWSA-N 1 0 299.374 3.379 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000819226549 632406014 /nfs/dbraw/zinc/40/60/14/632406014.db2.gz UAACGZVVOGMRNZ-DSPQJCBJSA-N 1 0 292.379 3.043 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000865747698 632876843 /nfs/dbraw/zinc/87/68/43/632876843.db2.gz VONZBAIJLMMZEA-CQSZACIVSA-N 1 0 296.342 3.171 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1CC1 ZINC000866218696 633034280 /nfs/dbraw/zinc/03/42/80/633034280.db2.gz WGWNRIHBJFMNSH-ZJUUUORDSA-N 1 0 266.316 3.053 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866288956 633066613 /nfs/dbraw/zinc/06/66/13/633066613.db2.gz BRJPXVWUBBZQCR-HZPDHXFCSA-N 1 0 290.363 3.032 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866481160 633153297 /nfs/dbraw/zinc/15/32/97/633153297.db2.gz OZLUCQSDWHXQIO-JQWIXIFHSA-N 1 0 295.408 3.113 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000866505082 633164710 /nfs/dbraw/zinc/16/47/10/633164710.db2.gz SQIZIRVNEPLHGA-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000866504997 633164958 /nfs/dbraw/zinc/16/49/58/633164958.db2.gz RHOXLFDTWBDMAX-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCCS1 ZINC000122058537 633305065 /nfs/dbraw/zinc/30/50/65/633305065.db2.gz FOOSJFOZQHAODN-LLVKDONJSA-N 1 0 286.784 3.233 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000827252011 633475456 /nfs/dbraw/zinc/47/54/56/633475456.db2.gz TWJIDKBLVDCSGD-ZYHUDNBSSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3C[C@H]3C2)cc1Cl ZINC000827507247 633495653 /nfs/dbraw/zinc/49/56/53/633495653.db2.gz VOYUJYUBDDKQNC-QWRGUYRKSA-N 1 0 266.728 3.090 20 5 CGBDRO COC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016512 633937396 /nfs/dbraw/zinc/93/73/96/633937396.db2.gz KKVQBTRTHLHWKZ-ZJUUUORDSA-N 1 0 284.381 3.002 20 5 CGBDRO COCC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031828 633950374 /nfs/dbraw/zinc/95/03/74/633950374.db2.gz UHJSKHQBJZFESK-MNOVXSKESA-N 1 0 298.408 3.392 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033687 633953152 /nfs/dbraw/zinc/95/31/52/633953152.db2.gz DNYPDXGPFUBABR-PGUXBMHVSA-N 1 0 298.358 3.182 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872038931 633959270 /nfs/dbraw/zinc/95/92/70/633959270.db2.gz BMSSVLBSBGXTCC-ZWNOBZJWSA-N 1 0 284.331 3.056 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039197 633959526 /nfs/dbraw/zinc/95/95/26/633959526.db2.gz DBNQCGNUXMPDFA-NEPJUHHUSA-N 1 0 298.358 3.183 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccncc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043142 633966019 /nfs/dbraw/zinc/96/60/19/633966019.db2.gz GFIPMTCAMCBJPW-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044312 633967962 /nfs/dbraw/zinc/96/79/62/633967962.db2.gz TZQNXSKPECVPPG-IJLUTSLNSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H]([NH2+]CCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047780 633970331 /nfs/dbraw/zinc/97/03/31/633970331.db2.gz GHSBFEWCMURRSX-VIFPVBQESA-N 1 0 252.289 3.185 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053754 633977260 /nfs/dbraw/zinc/97/72/60/633977260.db2.gz MIXOUZQLVVNFQZ-MISXGVKJSA-N 1 0 296.342 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H](C)O ZINC000872059251 633981519 /nfs/dbraw/zinc/98/15/19/633981519.db2.gz CBPUAYAGONGHAL-VWYCJHECSA-N 1 0 298.408 3.127 20 5 CGBDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074095 633996941 /nfs/dbraw/zinc/99/69/41/633996941.db2.gz VREZCNDCGUASQO-QMMMGPOBSA-N 1 0 288.269 3.430 20 5 CGBDRO CCC1([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872075105 633998053 /nfs/dbraw/zinc/99/80/53/633998053.db2.gz ODUOBWDPBZBRPK-SECBINFHSA-N 1 0 252.289 3.327 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078648 634001613 /nfs/dbraw/zinc/00/16/13/634001613.db2.gz RXOPMKRWSUAVFV-DLOVCJGASA-N 1 0 278.327 3.431 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872079527 634002709 /nfs/dbraw/zinc/00/27/09/634002709.db2.gz ILZJZXDRGMOWLY-QJPTWQEYSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086787 634013090 /nfs/dbraw/zinc/01/30/90/634013090.db2.gz ZJUFYWGXZVJEOH-IJLUTSLNSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086788 634013362 /nfs/dbraw/zinc/01/33/62/634013362.db2.gz ZJUFYWGXZVJEOH-UTUOFQBUSA-N 1 0 296.342 3.342 20 5 CGBDRO COCC[C@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128240 634050012 /nfs/dbraw/zinc/05/00/12/634050012.db2.gz GBLVRRYLKKXSLA-GUTXKFCHSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129832 634051515 /nfs/dbraw/zinc/05/15/15/634051515.db2.gz XJYPWFGVANELQT-UPJWGTAASA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000832565270 634073071 /nfs/dbraw/zinc/07/30/71/634073071.db2.gz QRJNKSMBQQMVAF-SNVBAGLBSA-N 1 0 293.323 3.266 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000873105381 634247455 /nfs/dbraw/zinc/24/74/55/634247455.db2.gz UYNHFTALPDYALA-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CC(F)(F)C1 ZINC000873127295 634251455 /nfs/dbraw/zinc/25/14/55/634251455.db2.gz LZWRXPRSVSYGPR-UHFFFAOYSA-N 1 0 284.306 3.347 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3CCC3)nc2c1 ZINC000877103008 634984480 /nfs/dbraw/zinc/98/44/80/634984480.db2.gz IWMMUAKEQBVTJO-UHFFFAOYSA-N 1 0 275.308 3.016 20 5 CGBDRO CO[C@@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877196664 635011810 /nfs/dbraw/zinc/01/18/10/635011810.db2.gz GJYVBBMRQYLGRL-CQSZACIVSA-N 1 0 292.379 3.213 20 5 CGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1 ZINC000840957788 635092974 /nfs/dbraw/zinc/09/29/74/635092974.db2.gz FCTJWGAYGFNYRQ-WCBMZHEXSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC1(F)F ZINC000840968122 635096437 /nfs/dbraw/zinc/09/64/37/635096437.db2.gz NSRSLXUJNOVZRX-OIBJUYFYSA-N 1 0 290.697 3.382 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000842162280 635301802 /nfs/dbraw/zinc/30/18/02/635301802.db2.gz GOBUYUBOTNPYRV-SOUVJXGZSA-N 1 0 292.379 3.043 20 5 CGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843056510 635552723 /nfs/dbraw/zinc/55/27/23/635552723.db2.gz ONRNBWDVMNXUAF-CQSZACIVSA-N 1 0 299.802 3.053 20 5 CGBDRO C[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000128220541 635920485 /nfs/dbraw/zinc/92/04/85/635920485.db2.gz HMXFSPBQGCSGFK-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000880293242 635966443 /nfs/dbraw/zinc/96/64/43/635966443.db2.gz GESSQPBZQIMLAW-GFCCVEGCSA-N 1 0 296.342 3.173 20 5 CGBDRO Cc1cc(N2CCC(F)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000882806056 636427127 /nfs/dbraw/zinc/42/71/27/636427127.db2.gz INTBGFWZVYBFJB-UHFFFAOYSA-N 1 0 289.310 3.390 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1C=CCC1 ZINC000883245055 636612243 /nfs/dbraw/zinc/61/22/43/636612243.db2.gz CPPZJBBKCKKBPQ-RYUDHWBXSA-N 1 0 276.336 3.220 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C=CCC1 ZINC000883246033 636613854 /nfs/dbraw/zinc/61/38/54/636613854.db2.gz YIRZXSAIZWNGAS-RISCZKNCSA-N 1 0 258.321 3.138 20 5 CGBDRO CC[C@@H](C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850505832 637094163 /nfs/dbraw/zinc/09/41/63/637094163.db2.gz ZHXRJPCKYBMWOI-GHMZBOCLSA-N 1 0 265.357 3.264 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=CCC1 ZINC000850510569 637096175 /nfs/dbraw/zinc/09/61/75/637096175.db2.gz UVNQVFVIXJLTEK-GXTWGEPZSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531576 637108740 /nfs/dbraw/zinc/10/87/40/637108740.db2.gz MCQXPRVNIXVWPZ-GHYVTOPFSA-N 1 0 289.379 3.264 20 5 CGBDRO C[C@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537699 637112822 /nfs/dbraw/zinc/11/28/22/637112822.db2.gz XMKKKYRYDLDPKK-TVQRCGJNSA-N 1 0 299.321 3.263 20 5 CGBDRO CCC(CC)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885979537 637341492 /nfs/dbraw/zinc/34/14/92/637341492.db2.gz FXUIJTFFJIGMNA-UHFFFAOYSA-N 1 0 263.341 3.143 20 5 CGBDRO CC[C@H](C)[C@@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989030 637344028 /nfs/dbraw/zinc/34/40/28/637344028.db2.gz UWBTVPWYJAHGPT-NWDGAFQWSA-N 1 0 277.368 3.389 20 5 CGBDRO C[C@@H]1[C@H](c2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038576 637380140 /nfs/dbraw/zinc/38/01/40/637380140.db2.gz YUZPGUWHYGKISJ-CZUORRHYSA-N 1 0 297.358 3.368 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000886049653 637387761 /nfs/dbraw/zinc/38/77/61/637387761.db2.gz RBFQQVPQKILDLW-HOCLYGCPSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886114363 637422128 /nfs/dbraw/zinc/42/21/28/637422128.db2.gz NRNKCAYCWRARLN-GHJWDPDVSA-N 1 0 290.363 3.203 20 5 CGBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886145286 637433953 /nfs/dbraw/zinc/43/39/53/637433953.db2.gz UFJMJAUKKUBNQV-CHWSQXEVSA-N 1 0 295.408 3.144 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@H]1C1CCC1 ZINC000886267171 637473343 /nfs/dbraw/zinc/47/33/43/637473343.db2.gz HOALSCWCYHEPLA-AWEZNQCLSA-N 1 0 275.352 3.144 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)c1 ZINC000886319527 637498117 /nfs/dbraw/zinc/49/81/17/637498117.db2.gz HADHKLYKECFLGD-OAHLLOKOSA-N 1 0 290.363 3.034 20 5 CGBDRO C[C@H]([NH2+]C1(C2CC2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886825355 637709492 /nfs/dbraw/zinc/70/94/92/637709492.db2.gz RCHFMDQPKLGEIJ-JTQLQIEISA-N 1 0 275.352 3.160 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853232126 637788960 /nfs/dbraw/zinc/78/89/60/637788960.db2.gz SIYQOGSGPDPQBB-SNVBAGLBSA-N 1 0 295.770 3.205 20 5 CGBDRO CCC1([NH3+])CCN([C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000925759357 638601599 /nfs/dbraw/zinc/60/15/99/638601599.db2.gz MVYDQUASZGSLMM-CYBMUJFWSA-N 1 0 291.395 3.168 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000927023212 638833058 /nfs/dbraw/zinc/83/30/58/638833058.db2.gz COHITJPYRVQUQC-OLZOCXBDSA-N 1 0 280.368 3.105 20 5 CGBDRO COC[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000927096887 638841235 /nfs/dbraw/zinc/84/12/35/638841235.db2.gz JPZVSTXZXMNPLH-OLZOCXBDSA-N 1 0 280.368 3.164 20 5 CGBDRO COC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000927097225 638841510 /nfs/dbraw/zinc/84/15/10/638841510.db2.gz NMWYQMYAZCVAKR-OCCSQVGLSA-N 1 0 280.368 3.164 20 5 CGBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC000930233841 638985028 /nfs/dbraw/zinc/98/50/28/638985028.db2.gz VKMIGHFIEIYJLY-GFCCVEGCSA-N 1 0 290.285 3.269 20 5 CGBDRO COC/C(C)=C/C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930554024 639024109 /nfs/dbraw/zinc/02/41/09/639024109.db2.gz FGHUFWNGTCPXFK-FMIVXFBMSA-N 1 0 278.352 3.012 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH+](C)C)CC1 ZINC000931350824 639138568 /nfs/dbraw/zinc/13/85/68/639138568.db2.gz ABBADANAVLBXJR-ZDUSSCGKSA-N 1 0 291.395 3.072 20 5 CGBDRO CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774181 640802812 /nfs/dbraw/zinc/80/28/12/640802812.db2.gz URIMQWIBVSTCNQ-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC001251761967 805930381 /nfs/dbraw/zinc/93/03/81/805930381.db2.gz WAOZYAVNZDVMDO-ZIAGYGMSSA-N 1 0 281.331 3.019 20 5 CGBDRO Nc1cc2nc3ccccc3nc2cc1NC1=C[NH2+]CCC1 ZINC001159523932 806116501 /nfs/dbraw/zinc/11/65/01/806116501.db2.gz VFVBXSDZPHCREQ-UHFFFAOYSA-N 1 0 291.358 3.002 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2CC[NH2+]C3)c1 ZINC001159547740 806119445 /nfs/dbraw/zinc/11/94/45/806119445.db2.gz JPOMZLLQPFQNDZ-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(C)C1 ZINC001254532040 806444433 /nfs/dbraw/zinc/44/44/33/806444433.db2.gz IWMDDMYMTHPYSA-CPCZMJQVSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](F)C1 ZINC001254532602 806445257 /nfs/dbraw/zinc/44/52/57/806445257.db2.gz PJRWNULALVMEMF-CYZMBNFOSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(F)CCC1 ZINC001254543189 806446640 /nfs/dbraw/zinc/44/66/40/806446640.db2.gz CKUSOVSXDXVPNV-LLVKDONJSA-N 1 0 266.316 3.008 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CC[NH3+])c1 ZINC001254547598 806447450 /nfs/dbraw/zinc/44/74/50/806447450.db2.gz JKJABDCASFTCCG-CYBMUJFWSA-N 1 0 299.374 3.139 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cccnc1 ZINC001254557762 806449289 /nfs/dbraw/zinc/44/92/89/806449289.db2.gz AFYZQTLDMFWBQJ-CQSZACIVSA-N 1 0 299.374 3.095 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(CF)C1 ZINC001254552760 806449897 /nfs/dbraw/zinc/44/98/97/806449897.db2.gz PADAQFIEMKMYOP-IUODEOHRSA-N 1 0 280.343 3.207 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCc3ccccc3C1)C2 ZINC001254597837 806457123 /nfs/dbraw/zinc/45/71/23/806457123.db2.gz HXNWUELZVOLAAI-GOSISDBHSA-N 1 0 294.354 3.120 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577730 806454051 /nfs/dbraw/zinc/45/40/51/806454051.db2.gz GOHVRDPHVGMSMU-ZFWWWQNUSA-N 1 0 274.364 3.230 20 5 CGBDRO CCCC[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587855 806456019 /nfs/dbraw/zinc/45/60/19/806456019.db2.gz BQIYDTZGUAGGLC-RISCZKNCSA-N 1 0 262.353 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001254596870 806457460 /nfs/dbraw/zinc/45/74/60/806457460.db2.gz GFBKXXLNUAOOQG-JKIFEVAISA-N 1 0 286.375 3.184 20 5 CGBDRO CC[C@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602772 806458287 /nfs/dbraw/zinc/45/82/87/806458287.db2.gz ISXPTUYIZSPJOG-BLLLJJGKSA-N 1 0 274.364 3.184 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604627 806460044 /nfs/dbraw/zinc/46/00/44/806460044.db2.gz WYDNMAWHKIBCPR-BFQNTYOBSA-N 1 0 274.364 3.040 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609839 806461011 /nfs/dbraw/zinc/46/10/11/806461011.db2.gz ZCHBZXKZTSDQDT-HOTGVXAUSA-N 1 0 274.364 3.182 20 5 CGBDRO Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001162111156 806505168 /nfs/dbraw/zinc/50/51/68/806505168.db2.gz INJWXYBUJWJTJV-JTQLQIEISA-N 1 0 283.397 3.251 20 5 CGBDRO Cc1cc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)ncc1[N+](=O)[O-] ZINC001162909308 806683925 /nfs/dbraw/zinc/68/39/25/806683925.db2.gz MASJFNLPEGSMCG-LLVKDONJSA-N 1 0 296.330 3.262 20 5 CGBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000693131149 799807783 /nfs/dbraw/zinc/80/77/83/799807783.db2.gz KSGVBZPEBCGWSE-NSHDSACASA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(F)F ZINC000694005643 799819227 /nfs/dbraw/zinc/81/92/27/799819227.db2.gz YIMSMJUYHADETK-UHFFFAOYSA-N 1 0 272.295 3.366 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000697966624 799851602 /nfs/dbraw/zinc/85/16/02/799851602.db2.gz RNQXBBJFTXORFV-MHDGFBEUSA-N 1 0 260.337 3.292 20 5 CGBDRO C[N@@H+]1CCCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000700771448 799879027 /nfs/dbraw/zinc/87/90/27/799879027.db2.gz RJFARUFOVVWWFS-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@@H](F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000702646239 799912482 /nfs/dbraw/zinc/91/24/82/799912482.db2.gz WSZCJQOAZYYKEK-MRVPVSSYSA-N 1 0 260.696 3.086 20 5 CGBDRO COC1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000703786391 799930095 /nfs/dbraw/zinc/93/00/95/799930095.db2.gz BOGGQBFCGCCBPC-PNESKVBLSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1F ZINC000706756204 799965238 /nfs/dbraw/zinc/96/52/38/799965238.db2.gz AXINOQSIRHIASW-AAEUAGOBSA-N 1 0 264.300 3.108 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001163618711 806793054 /nfs/dbraw/zinc/79/30/54/806793054.db2.gz VJDWYXWTSDZGPU-ZFWWWQNUSA-N 1 0 289.379 3.332 20 5 CGBDRO Cc1c(C[NH2+][C@]23C[C@H]2CCCC3)cccc1[N+](=O)[O-] ZINC000710489513 800034296 /nfs/dbraw/zinc/03/42/96/800034296.db2.gz YTIWHEUFVWEYNN-UKRRQHHQSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@]23C[C@H]2CCCC3)cs1 ZINC000710513410 800034920 /nfs/dbraw/zinc/03/49/20/800034920.db2.gz RRUXIFDGFVVVSZ-YPMHNXCESA-N 1 0 266.366 3.326 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2C[C@@H]3CCCC[C@H]23)cs1 ZINC000712398014 800087206 /nfs/dbraw/zinc/08/72/06/800087206.db2.gz UGMKHCCONOOEGH-SDDRHHMPSA-N 1 0 266.366 3.325 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000717563719 800205164 /nfs/dbraw/zinc/20/51/64/800205164.db2.gz SXPJYVQPSXWUEU-SMDDNHRTSA-N 1 0 278.352 3.061 20 5 CGBDRO C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@H]2C1 ZINC001164378788 806943398 /nfs/dbraw/zinc/94/33/98/806943398.db2.gz BFRCUBARBMLJQG-DLOVCJGASA-N 1 0 295.770 3.000 20 5 CGBDRO C[NH2+]Cc1cccc(Nc2ncc([N+](=O)[O-])cc2Cl)c1 ZINC001167032485 807132271 /nfs/dbraw/zinc/13/22/71/807132271.db2.gz BTFKLDLEFOQEHI-UHFFFAOYSA-N 1 0 292.726 3.106 20 5 CGBDRO CC1(Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])CC[NH2+]CC1 ZINC001168187852 807338813 /nfs/dbraw/zinc/33/88/13/807338813.db2.gz JPTHZRGRKILUJM-RUDMXATFSA-N 1 0 295.770 3.141 20 5 CGBDRO Cc1c(NCC(C)(C)C[NH+](C)C)cc(F)cc1[N+](=O)[O-] ZINC001168767660 807507282 /nfs/dbraw/zinc/50/72/82/807507282.db2.gz HMDXSSZNALWHFD-UHFFFAOYSA-N 1 0 283.347 3.042 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC001168968432 807544080 /nfs/dbraw/zinc/54/40/80/807544080.db2.gz ZAJJIDXRDGIEOI-ZJUUUORDSA-N 1 0 286.734 3.014 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1Cl ZINC001168975567 807544523 /nfs/dbraw/zinc/54/45/23/807544523.db2.gz WHYSCLMMEBXXJB-OLZOCXBDSA-N 1 0 282.771 3.183 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168977349 807544864 /nfs/dbraw/zinc/54/48/64/807544864.db2.gz ARRXFCBIICPJDS-ZNMIVQPWSA-N 1 0 276.380 3.399 20 5 CGBDRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978777 807545995 /nfs/dbraw/zinc/54/59/95/807545995.db2.gz UDLMGARAMHJRTP-MELADBBJSA-N 1 0 256.390 3.380 20 5 CGBDRO [NH2+]=C(N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168986947 807547288 /nfs/dbraw/zinc/54/72/88/807547288.db2.gz GLVYZIXYOYTEJE-TZMCWYRMSA-N 1 0 297.358 3.200 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC001168988309 807548087 /nfs/dbraw/zinc/54/80/87/807548087.db2.gz QTLZZDKTXSUUBA-XFBWCDHKSA-N 1 0 292.354 3.312 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168988378 807548188 /nfs/dbraw/zinc/54/81/88/807548188.db2.gz RPHKBEQHDZDWIC-IFUGULHKSA-N 1 0 298.333 3.451 20 5 CGBDRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987581 807548202 /nfs/dbraw/zinc/54/82/02/807548202.db2.gz JPJVYRJAOOMWKJ-VHDGCEQUSA-N 1 0 268.401 3.380 20 5 CGBDRO CC(C)C1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990256 807548257 /nfs/dbraw/zinc/54/82/57/807548257.db2.gz ZCVGBLYVFDDFKL-URGYJCLVSA-N 1 0 268.401 3.236 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CCC2)C1 ZINC001168996026 807548952 /nfs/dbraw/zinc/54/89/52/807548952.db2.gz UGSWAJPBLRVQPG-CHWSQXEVSA-N 1 0 292.354 3.240 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3ccc(Cl)cc3C2)C1 ZINC001169007241 807551985 /nfs/dbraw/zinc/55/19/85/807551985.db2.gz MBTXFRCHLSZEOE-NHYWBVRUSA-N 1 0 294.782 3.144 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC001169023425 807553970 /nfs/dbraw/zinc/55/39/70/807553970.db2.gz TXSSCWKGZLBNKP-RHSMWYFYSA-N 1 0 288.391 3.311 20 5 CGBDRO C[N@H+](CCc1ccccc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037732 807556239 /nfs/dbraw/zinc/55/62/39/807556239.db2.gz TWXODCDUEHUBTQ-OCCSQVGLSA-N 1 0 296.798 3.260 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001169040947 807556980 /nfs/dbraw/zinc/55/69/80/807556980.db2.gz AFMGWADEWFDUBZ-HOTGVXAUSA-N 1 0 276.380 3.181 20 5 CGBDRO COc1ccc([C@H](C)[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169039513 807557006 /nfs/dbraw/zinc/55/70/06/807557006.db2.gz QMFRGAJDGUMRAZ-KCQAQPDRSA-N 1 0 292.379 3.133 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NCC[C@H]1CCC[NH2+]1 ZINC001169567705 807668277 /nfs/dbraw/zinc/66/82/77/807668277.db2.gz PBELXODMWQPHOY-YSKGHYERSA-N 1 0 295.770 3.141 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NC(C)(C)CC[NH+](C)C)c1F ZINC001169717362 807696704 /nfs/dbraw/zinc/69/67/04/807696704.db2.gz CJIXCAALGAOACF-UHFFFAOYSA-N 1 0 283.347 3.185 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC001170324535 807825879 /nfs/dbraw/zinc/82/58/79/807825879.db2.gz QRGXFCLMZBITJQ-OCCSQVGLSA-N 1 0 290.363 3.233 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC001170322371 807826360 /nfs/dbraw/zinc/82/63/60/807826360.db2.gz FHIZPJHWJIITQD-JSGCOSHPSA-N 1 0 290.363 3.233 20 5 CGBDRO COc1c(O)ccc(C[NH2+]C[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC001262370143 807858858 /nfs/dbraw/zinc/85/88/58/807858858.db2.gz ZKJXEJSGSZSNNA-SNVBAGLBSA-N 1 0 296.367 3.081 20 5 CGBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@H]1CCCC[NH2+]1 ZINC001171329287 808027814 /nfs/dbraw/zinc/02/78/14/808027814.db2.gz HZGYQHVDRXBNKA-OAHLLOKOSA-N 1 0 292.386 3.337 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CC1 ZINC001172896692 808474317 /nfs/dbraw/zinc/47/43/17/808474317.db2.gz REVWEVKWZBGPNC-NHYWBVRUSA-N 1 0 274.364 3.230 20 5 CGBDRO CC(C)CC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898207 808476372 /nfs/dbraw/zinc/47/63/72/808476372.db2.gz ISCHQQLIRJMTES-OAHLLOKOSA-N 1 0 276.380 3.478 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2(C)CCC2)c1F ZINC001173177400 808533332 /nfs/dbraw/zinc/53/33/32/808533332.db2.gz UGHIIRSMHQLPHH-SNVBAGLBSA-N 1 0 296.342 3.206 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@@H](C)C2)c1F ZINC001173181801 808533443 /nfs/dbraw/zinc/53/34/43/808533443.db2.gz PWDNKCDSRFRBPH-GHMZBOCLSA-N 1 0 296.342 3.015 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@H]2CC2(C)C)c1F ZINC001173192775 808533841 /nfs/dbraw/zinc/53/38/41/808533841.db2.gz RARXZNGLFIHCBV-RNCFNFMXSA-N 1 0 296.342 3.062 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])C(C)(C)C ZINC001173209437 808537343 /nfs/dbraw/zinc/53/73/43/808537343.db2.gz BVHORMINQMQEIR-JTQLQIEISA-N 1 0 263.341 3.139 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccncc1 ZINC001173226657 808541317 /nfs/dbraw/zinc/54/13/17/808541317.db2.gz NFYHUYXUZZVLQR-ZDUSSCGKSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)CC12CC2 ZINC001173233234 808542704 /nfs/dbraw/zinc/54/27/04/808542704.db2.gz UUHPPNAKJIJWEK-STQMWFEESA-N 1 0 274.364 3.400 20 5 CGBDRO Nc1ccc2cc3ccc(Nc4cn[nH]c4)cc3[nH+]c2c1 ZINC001174296263 808938528 /nfs/dbraw/zinc/93/85/28/808938528.db2.gz BPXVKVBLZAFIMB-UHFFFAOYSA-N 1 0 275.315 3.437 20 5 CGBDRO Cc1cccc2[nH+]cc(Nc3ccc([N+](=O)[O-])cc3)n21 ZINC001174477873 809033010 /nfs/dbraw/zinc/03/30/10/809033010.db2.gz ZXKCTJAISRSCKM-UHFFFAOYSA-N 1 0 268.276 3.295 20 5 CGBDRO CCC[N@H+](CC)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185594382 810278847 /nfs/dbraw/zinc/27/88/47/810278847.db2.gz VVNRAMHUTCYALI-UHFFFAOYSA-N 1 0 271.386 3.109 20 5 CGBDRO Cc1cccc(C)c1C[N@@H+](CC[N+](=O)[O-])CC(C)C ZINC001195422949 811253310 /nfs/dbraw/zinc/25/33/10/811253310.db2.gz AJUUGXGLUVGULC-UHFFFAOYSA-N 1 0 264.369 3.038 20 5 CGBDRO C[NH+](C)CCc1ccc(Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001204476252 812652353 /nfs/dbraw/zinc/65/23/53/812652353.db2.gz LEHIZCRUCONAHM-UHFFFAOYSA-N 1 0 285.347 3.443 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC3(C2)CCCCC3)cc1 ZINC001206174576 813225997 /nfs/dbraw/zinc/22/59/97/813225997.db2.gz OHVBJHPLPVPFQW-UHFFFAOYSA-N 1 0 274.364 3.403 20 5 CGBDRO Nc1ccc(Nc2cc[nH+]c(C3CC3)c2)cc1[N+](=O)[O-] ZINC001209934894 814203259 /nfs/dbraw/zinc/20/32/59/814203259.db2.gz UDGHLUJKEWIVGT-UHFFFAOYSA-N 1 0 270.292 3.193 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217911284 815999004 /nfs/dbraw/zinc/99/90/04/815999004.db2.gz XMRUXQSRZZAWDC-KZULUSFZSA-N 1 0 278.355 3.265 20 5 CGBDRO F[C@H]1CC[NH2+]C[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001217960572 816018447 /nfs/dbraw/zinc/01/84/47/816018447.db2.gz TUNJUYDUEFYHRS-IRXDYDNUSA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCCC[NH2+]C2)c2ccccc21 ZINC001217973838 816026605 /nfs/dbraw/zinc/02/66/05/816026605.db2.gz ZMUKPHUUEOYZPE-LBPRGKRZSA-N 1 0 286.331 3.269 20 5 CGBDRO Cc1cc(O[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1Cl ZINC001217995182 816040954 /nfs/dbraw/zinc/04/09/54/816040954.db2.gz DDLFUEBVUGWQKU-JTQLQIEISA-N 1 0 284.743 3.078 20 5 CGBDRO F[C@H]1C[NH2+]C[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001217998016 816043478 /nfs/dbraw/zinc/04/34/78/816043478.db2.gz IWCOZEJMVWMLCW-XJKSGUPXSA-N 1 0 282.318 3.077 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001218025908 816060752 /nfs/dbraw/zinc/06/07/52/816060752.db2.gz HCCDVWIJKVPERD-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001218027021 816062226 /nfs/dbraw/zinc/06/22/26/816062226.db2.gz LQKFMSZOWKSLTH-MWLCHTKSSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001218033543 816066655 /nfs/dbraw/zinc/06/66/55/816066655.db2.gz BSZIXHHPEXYILP-SJKOYZFVSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2cccc3nc4ccccc4nc32)CC[NH2+]1 ZINC001218055017 816077753 /nfs/dbraw/zinc/07/77/53/816077753.db2.gz GVEKRGZNEYVNMM-OLZOCXBDSA-N 1 0 293.370 3.302 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CCC23CC[NH2+]CC3)c1 ZINC001218083727 816089684 /nfs/dbraw/zinc/08/96/84/816089684.db2.gz VRBNMCCPBHYIMM-ZDUSSCGKSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218084962 816090336 /nfs/dbraw/zinc/09/03/36/816090336.db2.gz MGWNUVHEVBUZRJ-ZDUSSCGKSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)c2ccccc21 ZINC001218113476 816101863 /nfs/dbraw/zinc/10/18/63/816101863.db2.gz AEHDZIOJBCVVNF-IAGOWNOFSA-N 1 0 298.342 3.269 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(C)c2C)CC1 ZINC001218189125 816121239 /nfs/dbraw/zinc/12/12/39/816121239.db2.gz ODXPGRUDKIFHPV-JOCQHMNTSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305862 816158468 /nfs/dbraw/zinc/15/84/68/816158468.db2.gz FBOALPIEMBVYOV-NSHDSACASA-N 1 0 296.754 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@@H]3C=CC[NH2+]C3)cc2)cc1 ZINC001218330897 816170350 /nfs/dbraw/zinc/17/03/50/816170350.db2.gz JZCDVLCWCXQYMI-QGZVFWFLSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218390786 816187864 /nfs/dbraw/zinc/18/78/64/816187864.db2.gz YXZNPDRPZJWOTE-BZNIZROVSA-N 1 0 279.339 3.438 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218419220 816205682 /nfs/dbraw/zinc/20/56/82/816205682.db2.gz ASZUFUILYMJYGV-BXUZGUMPSA-N 1 0 286.331 3.125 20 5 CGBDRO Cc1c(O[C@H]2C[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC001218484038 816237677 /nfs/dbraw/zinc/23/76/77/816237677.db2.gz FEVMDHMUBKIIDS-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218485519 816240953 /nfs/dbraw/zinc/24/09/53/816240953.db2.gz KKOXHMYTZVGHLD-HNNXBMFYSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1CO[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001223535587 816647064 /nfs/dbraw/zinc/64/70/64/816647064.db2.gz NITJMCYPZDVONV-WDNDVIMCSA-N 1 0 290.363 3.045 20 5 CGBDRO C[C@@H](OC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707983 816861711 /nfs/dbraw/zinc/86/17/11/816861711.db2.gz UZBHGVCRJVPCNL-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[C@H](OCC[N+](C)(C)C)c1cccc(F)c1C ZINC001224775801 816879534 /nfs/dbraw/zinc/87/95/34/816879534.db2.gz PKXKPLRFWQRQDH-HNNXBMFYSA-N 1 0 254.369 3.308 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)c(F)c1 ZINC001225576978 817098186 /nfs/dbraw/zinc/09/81/86/817098186.db2.gz IYUKJIYDAJAPIS-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO Cc1c(OC2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC001225689927 817143031 /nfs/dbraw/zinc/14/30/31/817143031.db2.gz RJFUGOZQDCZUIX-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225711825 817152201 /nfs/dbraw/zinc/15/22/01/817152201.db2.gz AWYITQSITDHVSG-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cccc(O)c21 ZINC001225828149 817190580 /nfs/dbraw/zinc/19/05/80/817190580.db2.gz WAHRKGBAEDUINH-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001226205910 817298587 /nfs/dbraw/zinc/29/85/87/817298587.db2.gz XNZVZNQMYRWUCJ-SSDOTTSWSA-N 1 0 293.150 3.231 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508965 817379246 /nfs/dbraw/zinc/37/92/46/817379246.db2.gz INMLKIWBOLASHC-GFCCVEGCSA-N 1 0 286.331 3.221 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001226811350 817472180 /nfs/dbraw/zinc/47/21/80/817472180.db2.gz WWGFELNZTXKKDB-IAZYJMLFSA-N 1 0 296.754 3.252 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809655 817472357 /nfs/dbraw/zinc/47/23/57/817472357.db2.gz GAZJCDSYQWLHCU-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc(-c2ccccc2)cs1 ZINC001227690590 817694711 /nfs/dbraw/zinc/69/47/11/817694711.db2.gz NKRHLXTWFHAQND-LBPRGKRZSA-N 1 0 277.413 3.284 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccnc1-c1ccccc1 ZINC001227976038 817770058 /nfs/dbraw/zinc/77/00/58/817770058.db2.gz QAVKRTULYSHMBR-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO CC(C)(C)N1CC(Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228255981 817852390 /nfs/dbraw/zinc/85/23/90/817852390.db2.gz NZNNUATUEPSPNF-UHFFFAOYSA-N 1 0 284.743 3.110 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2nc3ccccc3nc21 ZINC001228518200 817926418 /nfs/dbraw/zinc/92/64/18/817926418.db2.gz DGBKTENTIPSPCT-CYBMUJFWSA-N 1 0 296.394 3.257 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228523233 817927414 /nfs/dbraw/zinc/92/74/14/817927414.db2.gz SRUWQIBGGYGHMM-ZDUSSCGKSA-N 1 0 293.370 3.256 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)nc(C(F)(F)F)c1 ZINC001233807448 818709436 /nfs/dbraw/zinc/70/94/36/818709436.db2.gz DGHKHWHRLJDLCH-MRVPVSSYSA-N 1 0 297.728 3.227 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C/C=C/C1CC1 ZINC001346506323 936851558 /nfs/dbraw/zinc/85/15/58/936851558.db2.gz QVUZGKWRUXLXDK-HSWBROFVSA-N 1 0 258.321 3.138 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2c(cccc2Cl)s1 ZINC001228949585 927312213 /nfs/dbraw/zinc/31/22/13/927312213.db2.gz HJRHITDTACNDAE-VIFPVBQESA-N 1 0 285.820 3.423 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914851 928076262 /nfs/dbraw/zinc/07/62/62/928076262.db2.gz KYDYLWAYQKXODG-LLVKDONJSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc(N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125609 937451985 /nfs/dbraw/zinc/45/19/85/937451985.db2.gz FDIUELLTGNHPHH-UONOGXRCSA-N 1 0 291.395 3.436 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@H](CF)C2)cc1 ZINC001460691789 937540559 /nfs/dbraw/zinc/54/05/59/937540559.db2.gz BERGTDSGEPBVRE-CYBMUJFWSA-N 1 0 296.342 3.045 20 5 CGBDRO Cc1cccnc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001460940408 937554965 /nfs/dbraw/zinc/55/49/65/937554965.db2.gz VQCCHOPJPUSKCQ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO C[NH+](C)C1CCC(Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229964013 932511624 /nfs/dbraw/zinc/51/16/24/932511624.db2.gz NGKYQKTWWXAHQW-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229961952 932511627 /nfs/dbraw/zinc/51/16/27/932511627.db2.gz LPVONUCRVVHPML-JTQLQIEISA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1ccc(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001230144836 932536016 /nfs/dbraw/zinc/53/60/16/932536016.db2.gz ZWCFWBJCWHQHLR-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO CC[NH+]1CCC(Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230913729 932641185 /nfs/dbraw/zinc/64/11/85/932641185.db2.gz ANOLOHSNFJIRAJ-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415064 932949236 /nfs/dbraw/zinc/94/92/36/932949236.db2.gz LSLOVLYVCGOKHM-UONOGXRCSA-N 1 0 291.395 3.151 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001307682114 932985597 /nfs/dbraw/zinc/98/55/97/932985597.db2.gz GIPUCPVTRPWJKD-SMDDNHRTSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C[C@@H](C)C1 ZINC001308085015 933047143 /nfs/dbraw/zinc/04/71/43/933047143.db2.gz HBPTVNYLHYNFTE-CHWSQXEVSA-N 1 0 292.379 3.471 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001472712219 937781111 /nfs/dbraw/zinc/78/11/11/937781111.db2.gz CISBPPYNZDKBRX-GFCCVEGCSA-N 1 0 295.408 3.333 20 5 CGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001325197986 934892936 /nfs/dbraw/zinc/89/29/36/934892936.db2.gz YLDWDQRBKNWTMT-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001328103586 935117672 /nfs/dbraw/zinc/11/76/72/935117672.db2.gz OTIBCKQZJLMLSK-FJJSSXBZSA-N 1 0 282.290 3.433 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](C2CCC2)CC1 ZINC001473743397 937820586 /nfs/dbraw/zinc/82/05/86/937820586.db2.gz SBWBHHJIEMEJIM-CQSZACIVSA-N 1 0 289.379 3.392 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC001474021087 937835779 /nfs/dbraw/zinc/83/57/79/937835779.db2.gz KGMODUUMDPPWAD-CQSZACIVSA-N 1 0 280.368 3.054 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC001515221204 938004973 /nfs/dbraw/zinc/00/49/73/938004973.db2.gz HADJTKOUIAMMAF-AWEZNQCLSA-N 1 0 283.331 3.374 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001559703753 938233089 /nfs/dbraw/zinc/23/30/89/938233089.db2.gz MUAFWKXNIKHACE-HUUCEWRRSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](C)[C@H]1C ZINC001559923409 938238983 /nfs/dbraw/zinc/23/89/83/938238983.db2.gz ZXISHRQPXMAKEN-AGIUHOORSA-N 1 0 262.353 3.114 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(F)c1 ZINC001560320041 938252752 /nfs/dbraw/zinc/25/27/52/938252752.db2.gz JPAKJIQGRICRAF-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cc3cnccc3o2)cc1[N+](=O)[O-] ZINC001560563013 938263120 /nfs/dbraw/zinc/26/31/20/938263120.db2.gz QAUBLMNSBVVAPE-UHFFFAOYSA-N 1 0 297.314 3.334 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1C=CCC1 ZINC001560985785 938288276 /nfs/dbraw/zinc/28/82/76/938288276.db2.gz LKNARWBCVLZHSX-KGLIPLIRSA-N 1 0 274.364 3.472 20 5 CGBDRO [NH3+]Cc1cccc(Nc2ccc3cnccc3c2[N+](=O)[O-])c1 ZINC001580343760 962720512 /nfs/dbraw/zinc/72/05/12/962720512.db2.gz AHEIAXWHCLDSLS-UHFFFAOYSA-N 1 0 294.314 3.345 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CCCO)CC1 ZINC000273057953 192032220 /nfs/dbraw/zinc/03/22/20/192032220.db2.gz ZNYQDEGHTRKNCS-CYBMUJFWSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@@H](CF)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590370082 346844445 /nfs/dbraw/zinc/84/44/45/346844445.db2.gz VFKQMPYMOCQENW-SCRDCRAPSA-N 1 0 280.343 3.254 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000350740991 219056576 /nfs/dbraw/zinc/05/65/76/219056576.db2.gz BTMDNYWEFABAFC-SNVBAGLBSA-N 1 0 252.289 3.108 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000358740133 529409711 /nfs/dbraw/zinc/40/97/11/529409711.db2.gz WAKJVTJNCUUMSE-GFCCVEGCSA-N 1 0 298.408 3.047 20 5 CGBDRO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000350782348 219061946 /nfs/dbraw/zinc/06/19/46/219061946.db2.gz XMDUGUHFFLNYRE-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)C(C)C ZINC000591255980 346912205 /nfs/dbraw/zinc/91/22/05/346912205.db2.gz YAIXQCCECIJIKU-RCBQFDQVSA-N 1 0 294.395 3.349 20 5 CGBDRO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347983 346917188 /nfs/dbraw/zinc/91/71/88/346917188.db2.gz OAXUMSRWRUXLPC-WKPIXPDZSA-N 1 0 260.337 3.360 20 5 CGBDRO Cc1ncsc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000295017687 199302246 /nfs/dbraw/zinc/30/22/46/199302246.db2.gz MUGQRYOWXJPRSM-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC1=CCCC1 ZINC000592123266 346965067 /nfs/dbraw/zinc/96/50/67/346965067.db2.gz RQTAWFCRMDFLLN-UHFFFAOYSA-N 1 0 260.337 3.179 20 5 CGBDRO CC[N@H+](CCSC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000592199667 346971387 /nfs/dbraw/zinc/97/13/87/346971387.db2.gz IGYGTDFDJRLSCQ-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO CC[N@H+](CCSC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000592200179 346971461 /nfs/dbraw/zinc/97/14/61/346971461.db2.gz MXEXJCKJSILTFT-NSHDSACASA-N 1 0 268.382 3.341 20 5 CGBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000036992539 344946308 /nfs/dbraw/zinc/94/63/08/344946308.db2.gz KOVKBAXQLVIMTJ-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000051128412 345087217 /nfs/dbraw/zinc/08/72/17/345087217.db2.gz IWUYAYBDYRCQGB-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CSCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000131517894 232193029 /nfs/dbraw/zinc/19/30/29/232193029.db2.gz HDVOKFDNXOUOGG-LLVKDONJSA-N 1 0 268.382 3.389 20 5 CGBDRO Cc1cnc(NCCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000074773085 345481297 /nfs/dbraw/zinc/48/12/97/345481297.db2.gz JVMCCOMWHWCSCV-UHFFFAOYSA-N 1 0 294.399 3.219 20 5 CGBDRO Cc1c(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000075894700 345526715 /nfs/dbraw/zinc/52/67/15/345526715.db2.gz HERJBYGLFVMYQK-PHIMTYICSA-N 1 0 280.393 3.229 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000090085153 345780535 /nfs/dbraw/zinc/78/05/35/345780535.db2.gz RLNNMYKUAVEWKB-DGCLKSJQSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000090084766 345780697 /nfs/dbraw/zinc/78/06/97/345780697.db2.gz CXNWSMAMHCCCBQ-CHWSQXEVSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090846836 345795996 /nfs/dbraw/zinc/79/59/96/345795996.db2.gz JSEDIEBHEXGXPS-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CCOc1cc(NCC[N@H+](CC)C(C)C)ccc1[N+](=O)[O-] ZINC000092641839 345849024 /nfs/dbraw/zinc/84/90/24/345849024.db2.gz RVYYPFCUZNHXSC-UHFFFAOYSA-N 1 0 295.383 3.136 20 5 CGBDRO CCC(CC)(CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000116347762 345977533 /nfs/dbraw/zinc/97/75/33/345977533.db2.gz SOUSHTGFIJWGLO-UHFFFAOYSA-N 1 0 294.395 3.359 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000159961425 346169565 /nfs/dbraw/zinc/16/95/65/346169565.db2.gz CYVXSFIPNTVUFN-VXGBXAGGSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2=CCCC2)cc1 ZINC000228678304 346315513 /nfs/dbraw/zinc/31/55/13/346315513.db2.gz SUDVYLKQNFTUJP-UHFFFAOYSA-N 1 0 260.337 3.227 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000584808169 346715672 /nfs/dbraw/zinc/71/56/72/346715672.db2.gz FUMDZRZVPYLZCE-ZDUSSCGKSA-N 1 0 282.409 3.477 20 5 CGBDRO CC(C)C[N@H+](C)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715230 347106469 /nfs/dbraw/zinc/10/64/69/347106469.db2.gz JRDJHWCGFHYTHO-AWEZNQCLSA-N 1 0 293.411 3.223 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589609026 346802379 /nfs/dbraw/zinc/80/23/79/346802379.db2.gz PAEYXQCXTDXPAQ-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594042499 347143571 /nfs/dbraw/zinc/14/35/71/347143571.db2.gz JQRRUYZQOSGSPF-CABCVRRESA-N 1 0 278.352 3.032 20 5 CGBDRO CC1(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594501002 347180012 /nfs/dbraw/zinc/18/00/12/347180012.db2.gz DINSYOKBRHVUGG-ZDUSSCGKSA-N 1 0 260.337 3.362 20 5 CGBDRO Cc1occc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505656 347181486 /nfs/dbraw/zinc/18/14/86/347181486.db2.gz YOSNRRRWYFGVBZ-AWEZNQCLSA-N 1 0 272.304 3.273 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000594510037 347183280 /nfs/dbraw/zinc/18/32/80/347183280.db2.gz NLEHSESZGGWFCY-HOTGVXAUSA-N 1 0 290.363 3.032 20 5 CGBDRO COC1CC(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000594723684 347213775 /nfs/dbraw/zinc/21/37/75/347213775.db2.gz NFDGBEAPLFYCDH-XIKARTHZSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2)cc1 ZINC000594973341 347246147 /nfs/dbraw/zinc/24/61/47/347246147.db2.gz QZGCMXIZDOMGPL-CZIWCDLHSA-N 1 0 298.342 3.294 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000595108461 347285142 /nfs/dbraw/zinc/28/51/42/347285142.db2.gz QFMUGPNTDDIFLS-KFWWJZLASA-N 1 0 278.352 3.203 20 5 CGBDRO COCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595295604 347288317 /nfs/dbraw/zinc/28/83/17/347288317.db2.gz MOFYECMASVJQJU-UHFFFAOYSA-N 1 0 296.342 3.125 20 5 CGBDRO CC(C)C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595299503 347289108 /nfs/dbraw/zinc/28/91/08/347289108.db2.gz SKESQJIIOJMRFM-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)(C)C ZINC000595309506 347290149 /nfs/dbraw/zinc/29/01/49/347290149.db2.gz VRGJQDQKKIFHEV-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000595038159 347265284 /nfs/dbraw/zinc/26/52/84/347265284.db2.gz KCAXIQNAKKVENG-NXEZZACHSA-N 1 0 270.304 3.002 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595039682 347266483 /nfs/dbraw/zinc/26/64/83/347266483.db2.gz AFJGMJXAKMVSHO-XHDPSFHLSA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056931 347272722 /nfs/dbraw/zinc/27/27/22/347272722.db2.gz SZGQVLGNLPVCIX-JSGCOSHPSA-N 1 0 291.395 3.118 20 5 CGBDRO CC[C@H](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595071204 347276814 /nfs/dbraw/zinc/27/68/14/347276814.db2.gz BFVYWSJSLGBSFS-MELADBBJSA-N 1 0 294.399 3.301 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595073558 347277551 /nfs/dbraw/zinc/27/75/51/347277551.db2.gz NGKDLPUHMVDLLQ-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCc2ccoc2)cccc1[N+](=O)[O-] ZINC000595083426 347279563 /nfs/dbraw/zinc/27/95/63/347279563.db2.gz DOGSWVAPUWAZNX-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000595093523 347281894 /nfs/dbraw/zinc/28/18/94/347281894.db2.gz KVQNKBLGHNRQGL-LBPRGKRZSA-N 1 0 274.320 3.471 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595757064 347351315 /nfs/dbraw/zinc/35/13/15/347351315.db2.gz YMURRBARZVPZFM-LBPRGKRZSA-N 1 0 266.316 3.166 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCF)C2)c(F)c1 ZINC000595755566 347351894 /nfs/dbraw/zinc/35/18/94/347351894.db2.gz OCTXKHQSTMKQTG-LLVKDONJSA-N 1 0 284.306 3.306 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512458 347314548 /nfs/dbraw/zinc/31/45/48/347314548.db2.gz OELSHNPEWPGRIK-DZGCQCFKSA-N 1 0 296.342 3.027 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596336018 347422232 /nfs/dbraw/zinc/42/22/32/347422232.db2.gz KIZHCPRMSJAQTD-SNVBAGLBSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597059655 347532243 /nfs/dbraw/zinc/53/22/43/347532243.db2.gz NCQPZQNGATZJFY-SGIREYDYSA-N 1 0 290.363 3.121 20 5 CGBDRO CCC[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000598990042 347704019 /nfs/dbraw/zinc/70/40/19/347704019.db2.gz ZNZSLRVCPUIKLT-CQSZACIVSA-N 1 0 280.368 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599126388 347719502 /nfs/dbraw/zinc/71/95/02/347719502.db2.gz FURKQCVIWZPHLB-GFCCVEGCSA-N 1 0 295.408 3.475 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599018547 347706835 /nfs/dbraw/zinc/70/68/35/347706835.db2.gz YGBDLJAEHAKHFP-CYBMUJFWSA-N 1 0 290.363 3.273 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599057931 347712240 /nfs/dbraw/zinc/71/22/40/347712240.db2.gz CSIOBISNPGQQJO-IUODEOHRSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599059495 347712360 /nfs/dbraw/zinc/71/23/60/347712360.db2.gz XWDZRNSQFIHNNW-KBPBESRZSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000599513280 347749429 /nfs/dbraw/zinc/74/94/29/347749429.db2.gz RRHYSSBNBCWRAK-PHIMTYICSA-N 1 0 284.306 3.318 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCCS1 ZINC000600160464 347786139 /nfs/dbraw/zinc/78/61/39/347786139.db2.gz SMMOETAGFHWOEL-OAHLLOKOSA-N 1 0 294.420 3.355 20 5 CGBDRO CC(C)[NH2+]Cc1cccc(-c2ccc([N+](=O)[O-])nc2)c1 ZINC000600789109 347836452 /nfs/dbraw/zinc/83/64/52/347836452.db2.gz QTTNEZAIHLUDPN-UHFFFAOYSA-N 1 0 271.320 3.155 20 5 CGBDRO Cc1ccc(-c2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000600790562 347836874 /nfs/dbraw/zinc/83/68/74/347836874.db2.gz LGPXSONQGDFCLW-UHFFFAOYSA-N 1 0 268.316 3.216 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)F)cccc1[N+](=O)[O-] ZINC000601287801 347888903 /nfs/dbraw/zinc/88/89/03/347888903.db2.gz MGQUAZVHASDUAQ-SNVBAGLBSA-N 1 0 254.305 3.302 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)F ZINC000601287323 347888952 /nfs/dbraw/zinc/88/89/52/347888952.db2.gz HGNSUGDHUZOQBI-SNVBAGLBSA-N 1 0 254.305 3.302 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601288905 347889342 /nfs/dbraw/zinc/88/93/42/347889342.db2.gz FMNMLZZKGHVHEC-CJNGLKHVSA-N 1 0 292.379 3.113 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000601300288 347889990 /nfs/dbraw/zinc/88/99/90/347889990.db2.gz YELISTVZWMHROP-UUIJZJDISA-N 1 0 278.352 3.120 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCC[C@@H]1CCO1)C1CC1 ZINC000602441200 347959362 /nfs/dbraw/zinc/95/93/62/347959362.db2.gz VWSASCFTJFPOHC-OAHLLOKOSA-N 1 0 290.363 3.128 20 5 CGBDRO CC(C)C[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602571328 347985141 /nfs/dbraw/zinc/98/51/41/347985141.db2.gz JXAKNWGUZRKMEE-SNVBAGLBSA-N 1 0 277.324 3.260 20 5 CGBDRO CC(C)(C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602592639 347989976 /nfs/dbraw/zinc/98/99/76/347989976.db2.gz IYAFHODULYWFMF-UHFFFAOYSA-N 1 0 293.186 3.307 20 5 CGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783673 348028136 /nfs/dbraw/zinc/02/81/36/348028136.db2.gz KEASKYDCLNMIQE-JSGCOSHPSA-N 1 0 294.399 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2CC(F)(F)C2)cc1 ZINC000602687301 348009072 /nfs/dbraw/zinc/00/90/72/348009072.db2.gz KHZBIKJFBYLUHF-UHFFFAOYSA-N 1 0 284.306 3.162 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000602691893 348010531 /nfs/dbraw/zinc/01/05/31/348010531.db2.gz VKQAGHDAYZYZMQ-ZIAGYGMSSA-N 1 0 266.316 3.008 20 5 CGBDRO C[C@@]1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000602709586 348015064 /nfs/dbraw/zinc/01/50/64/348015064.db2.gz GIOUWGOUIHEMRN-CYBMUJFWSA-N 1 0 284.306 3.162 20 5 CGBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602787204 348029468 /nfs/dbraw/zinc/02/94/68/348029468.db2.gz IUHDXESCNSHKLG-OLZOCXBDSA-N 1 0 294.399 3.023 20 5 CGBDRO CCCC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602808005 348032365 /nfs/dbraw/zinc/03/23/65/348032365.db2.gz YAHUBSNQFLFBKS-AWEZNQCLSA-N 1 0 294.399 3.048 20 5 CGBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857221 348099383 /nfs/dbraw/zinc/09/93/83/348099383.db2.gz DZXPTPJUWIUMKC-OCCSQVGLSA-N 1 0 291.395 3.436 20 5 CGBDRO Cc1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857219 348099724 /nfs/dbraw/zinc/09/97/24/348099724.db2.gz DZXPTPJUWIUMKC-JSGCOSHPSA-N 1 0 291.395 3.436 20 5 CGBDRO CCOC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604273870 348112752 /nfs/dbraw/zinc/11/27/52/348112752.db2.gz TZCAYOXGVYIYGU-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609595598 348348574 /nfs/dbraw/zinc/34/85/74/348348574.db2.gz RKNLURJZBDPGHE-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO CC1(C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000608886220 348333578 /nfs/dbraw/zinc/33/35/78/348333578.db2.gz OSTHHYIRCOAODZ-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609386611 348343156 /nfs/dbraw/zinc/34/31/56/348343156.db2.gz YMZFMNZEUZGIQL-ZFWWWQNUSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000610215244 348367025 /nfs/dbraw/zinc/36/70/25/348367025.db2.gz HAVBRJYTWGAPPV-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H]1CCC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610215394 348367516 /nfs/dbraw/zinc/36/75/16/348367516.db2.gz PBDAXBMYGNDUGJ-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610710558 348398335 /nfs/dbraw/zinc/39/83/35/348398335.db2.gz FDOKPIYOOJCWOR-STQMWFEESA-N 1 0 278.352 3.237 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(Cc3ccccc3)C2)c1 ZINC000611177994 348426400 /nfs/dbraw/zinc/42/64/00/348426400.db2.gz LCEVHVSPODJZOV-UHFFFAOYSA-N 1 0 282.343 3.269 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(Cc2ccccc2)C1 ZINC000611177933 348426411 /nfs/dbraw/zinc/42/64/11/348426411.db2.gz BJXWLWWBSPSKMW-UHFFFAOYSA-N 1 0 282.343 3.269 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612461855 348521629 /nfs/dbraw/zinc/52/16/29/348521629.db2.gz LWNORTCIXAQRKL-CHWSQXEVSA-N 1 0 280.368 3.388 20 5 CGBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000617976693 349031956 /nfs/dbraw/zinc/03/19/56/349031956.db2.gz ZUWYOYJWICILJR-NSHDSACASA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000619724130 349279648 /nfs/dbraw/zinc/27/96/48/349279648.db2.gz GEQIQJZLXKOYCX-DOMZBBRYSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@@H]1C ZINC000123060401 187068467 /nfs/dbraw/zinc/06/84/67/187068467.db2.gz QERBFVXASQJVRU-MNOVXSKESA-N 1 0 289.335 3.214 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152456778 188020355 /nfs/dbraw/zinc/02/03/55/188020355.db2.gz GKPNIUVDMLJJHU-KGLIPLIRSA-N 1 0 294.395 3.353 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CC=CCC2)c1 ZINC000157976417 188351168 /nfs/dbraw/zinc/35/11/68/188351168.db2.gz DYEJZRJQJXUCHE-AWEZNQCLSA-N 1 0 260.337 3.083 20 5 CGBDRO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158033073 188353878 /nfs/dbraw/zinc/35/38/78/188353878.db2.gz VCAZTDJJHXOTNJ-FZMZJTMJSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000537450313 288530432 /nfs/dbraw/zinc/53/04/32/288530432.db2.gz OIWNHKJWOIKUBJ-LLVKDONJSA-N 1 0 260.337 3.496 20 5 CGBDRO Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000413440939 235278257 /nfs/dbraw/zinc/27/82/57/235278257.db2.gz PCPTYRCAKCTCQO-LBPRGKRZSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000414348005 235393053 /nfs/dbraw/zinc/39/30/53/235393053.db2.gz WKKHLRQRASNMBX-MELADBBJSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CC1 ZINC000104675199 138350453 /nfs/dbraw/zinc/35/04/53/138350453.db2.gz DXMJKUCRGDLRAP-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[NH+]1CCC(Nc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000112208955 138364529 /nfs/dbraw/zinc/36/45/29/138364529.db2.gz CFEWUPOBYVMOHD-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO COC1(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000294397154 199024685 /nfs/dbraw/zinc/02/46/85/199024685.db2.gz CHTIGQVZGUBCIY-GFCCVEGCSA-N 1 0 278.352 3.205 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000424350505 236155820 /nfs/dbraw/zinc/15/58/20/236155820.db2.gz MTWZCRYYHUWTIF-DEQVHRJGSA-N 1 0 290.363 3.443 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CCF)s1 ZINC000437234628 237264602 /nfs/dbraw/zinc/26/46/02/237264602.db2.gz IVSQGWADDCQBMJ-UHFFFAOYSA-N 1 0 280.324 3.382 20 5 CGBDRO CC[C@@H]([NH2+]CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178010439 189085492 /nfs/dbraw/zinc/08/54/92/189085492.db2.gz HGJNHYGMMINMKZ-OAHLLOKOSA-N 1 0 278.352 3.062 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000178660991 189135494 /nfs/dbraw/zinc/13/54/94/189135494.db2.gz LYMZCPVOFYIZFN-SMDDNHRTSA-N 1 0 280.368 3.307 20 5 CGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000342295900 216296826 /nfs/dbraw/zinc/29/68/26/216296826.db2.gz PYOJAZPKNQNTSV-GFCCVEGCSA-N 1 0 295.358 3.045 20 5 CGBDRO Cc1cc(N[C@@H](C)CC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301432855 201006416 /nfs/dbraw/zinc/00/64/16/201006416.db2.gz HTCFCNPDCZCKFJ-JTQLQIEISA-N 1 0 285.775 3.309 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1[N+](=O)[O-] ZINC000181840151 189308139 /nfs/dbraw/zinc/30/81/39/189308139.db2.gz CBOPYYHBWZVSGQ-YVGDHZEHSA-N 1 0 254.717 3.306 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182736024 189333063 /nfs/dbraw/zinc/33/30/63/189333063.db2.gz AVZREVLJYYMGHH-JMSVASOKSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000183346134 189355840 /nfs/dbraw/zinc/35/58/40/189355840.db2.gz OKSFBJPVBXDVOG-QWHCGFSZSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353118377 219901028 /nfs/dbraw/zinc/90/10/28/219901028.db2.gz LMWYJOBRWUIQMW-LDYMZIIASA-N 1 0 286.278 3.084 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449168260 239217132 /nfs/dbraw/zinc/21/71/32/239217132.db2.gz CYICFJDEEKNNQN-DOMZBBRYSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000302175066 201381736 /nfs/dbraw/zinc/38/17/36/201381736.db2.gz QPOVKAQLVHBCCV-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000302186956 201387473 /nfs/dbraw/zinc/38/74/73/201387473.db2.gz UPNPEGUMKMVTHT-CYBMUJFWSA-N 1 0 277.368 3.271 20 5 CGBDRO CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000119931409 370724015 /nfs/dbraw/zinc/72/40/15/370724015.db2.gz HSCAAWLFXVOJMZ-LSDHHAIUSA-N 1 0 292.379 3.187 20 5 CGBDRO CCc1cc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000450550823 239964264 /nfs/dbraw/zinc/96/42/64/239964264.db2.gz DTPNTGLPZPZPGU-NSHDSACASA-N 1 0 271.320 3.147 20 5 CGBDRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538192883 288562143 /nfs/dbraw/zinc/56/21/43/288562143.db2.gz IVMBXUDPRDSACO-QWHCGFSZSA-N 1 0 280.368 3.307 20 5 CGBDRO CCC[C@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336850506 283930277 /nfs/dbraw/zinc/93/02/77/283930277.db2.gz XVFWIUCVZHGJMS-HOTGVXAUSA-N 1 0 292.379 3.187 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000459733551 242195995 /nfs/dbraw/zinc/19/59/95/242195995.db2.gz AWLYHAJVUSTMBE-UHFFFAOYSA-N 1 0 262.353 3.258 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000459774298 242225049 /nfs/dbraw/zinc/22/50/49/242225049.db2.gz IQVFSJUVTUCIMD-YACGNSKGSA-N 1 0 282.290 3.151 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000462804531 242364250 /nfs/dbraw/zinc/36/42/50/242364250.db2.gz LLQAAKVCYBNVNI-WBMJQRKESA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C1CC1)[NH+](C)C ZINC000302834439 201571203 /nfs/dbraw/zinc/57/12/03/201571203.db2.gz TWJSHDIXDVFXER-ZDUSSCGKSA-N 1 0 297.786 3.309 20 5 CGBDRO C[C@@H]1CCCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000481587638 243200248 /nfs/dbraw/zinc/20/02/48/243200248.db2.gz LVPWMSUADOUEEJ-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO CC1=C(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000483384005 243282197 /nfs/dbraw/zinc/28/21/97/243282197.db2.gz RAVMTWXCJDQWOJ-UHFFFAOYSA-N 1 0 276.336 3.016 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000025827427 368853727 /nfs/dbraw/zinc/85/37/27/368853727.db2.gz GQLTVEWQWNSJIU-ZDUSSCGKSA-N 1 0 291.376 3.371 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033394705 368963296 /nfs/dbraw/zinc/96/32/96/368963296.db2.gz WDUFHALGCCZXFY-XURPKSDJSA-N 1 0 260.337 3.482 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CCCCC2)cs1 ZINC000037562707 369089223 /nfs/dbraw/zinc/08/92/23/369089223.db2.gz DACIJJXJBGDJJP-UHFFFAOYSA-N 1 0 254.355 3.326 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1 ZINC000037668385 369098872 /nfs/dbraw/zinc/09/88/72/369098872.db2.gz CZRLQHVUZAXEJN-OAHLLOKOSA-N 1 0 284.315 3.078 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccccc2C)cc1[N+](=O)[O-] ZINC000037871766 369120665 /nfs/dbraw/zinc/12/06/65/369120665.db2.gz SGHYWXRTGYQHSE-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037910711 369125238 /nfs/dbraw/zinc/12/52/38/369125238.db2.gz ZSTHNZLECZYMAT-SECBINFHSA-N 1 0 254.717 3.233 20 5 CGBDRO C[C@@H]([C@H](C)[NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000330844628 203304800 /nfs/dbraw/zinc/30/48/00/203304800.db2.gz JWDXJRBQAHCBTC-RYUDHWBXSA-N 1 0 294.399 3.023 20 5 CGBDRO Cc1ccc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC000062075766 369618364 /nfs/dbraw/zinc/61/83/64/369618364.db2.gz NRTUMHXLZSZCPC-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@@H]1CC=CCC1 ZINC000062726542 369630176 /nfs/dbraw/zinc/63/01/76/369630176.db2.gz GNEULFCRLDDIGS-CYBMUJFWSA-N 1 0 260.337 3.083 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000074370967 369876030 /nfs/dbraw/zinc/87/60/30/369876030.db2.gz KDBLLPSGBWZXOM-GDBMZVCRSA-N 1 0 292.379 3.111 20 5 CGBDRO CCOCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090722675 370066252 /nfs/dbraw/zinc/06/62/52/370066252.db2.gz WEZIXAKJUOSUFS-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000512210820 245025597 /nfs/dbraw/zinc/02/55/97/245025597.db2.gz WUNLCZRSXICCTH-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2(O)CCCCC2)c1 ZINC000112204826 370413877 /nfs/dbraw/zinc/41/38/77/370413877.db2.gz ITFZNJNKFTXSDL-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO O=[N+]([O-])c1ccccc1CNc1ccc2c([nH+]1)CCC2 ZINC000134293675 371321135 /nfs/dbraw/zinc/32/11/35/371321135.db2.gz LDSAZWAIQDHISN-UHFFFAOYSA-N 1 0 269.304 3.091 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1CCCSC1 ZINC000135697085 371445766 /nfs/dbraw/zinc/44/57/66/371445766.db2.gz MXWHJOXMEVVWRT-LLVKDONJSA-N 1 0 286.784 3.233 20 5 CGBDRO CC(C)([NH2+]Cc1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000136298452 371473536 /nfs/dbraw/zinc/47/35/36/371473536.db2.gz CUDBFFOSPXEZCZ-UHFFFAOYSA-N 1 0 277.349 3.076 20 5 CGBDRO CCC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152511170 371699943 /nfs/dbraw/zinc/69/99/43/371699943.db2.gz RSCRFBGZAGYLKX-JTQLQIEISA-N 1 0 252.314 3.054 20 5 CGBDRO CC(C)(C)OCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153294561 371761710 /nfs/dbraw/zinc/76/17/10/371761710.db2.gz UBTXMKJNNJPSRN-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290543230 372012879 /nfs/dbraw/zinc/01/28/79/372012879.db2.gz ZYVVUUYNDHAKPA-OCCSQVGLSA-N 1 0 298.342 3.422 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162394193 372392902 /nfs/dbraw/zinc/39/29/02/372392902.db2.gz MZSLPVWFPBRDSU-JQWIXIFHSA-N 1 0 289.335 3.404 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162394452 372393105 /nfs/dbraw/zinc/39/31/05/372393105.db2.gz MZSLPVWFPBRDSU-CMPLNLGQSA-N 1 0 289.335 3.404 20 5 CGBDRO CC[C@H]([NH2+]CCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000163247684 372457140 /nfs/dbraw/zinc/45/71/40/372457140.db2.gz SLZCOCHYQJRQSH-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000165108382 372543303 /nfs/dbraw/zinc/54/33/03/372543303.db2.gz DNSBMFJWLJFYAJ-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432335971 372562640 /nfs/dbraw/zinc/56/26/40/372562640.db2.gz OJYWUASXNBVNFL-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000433794443 372633735 /nfs/dbraw/zinc/63/37/35/372633735.db2.gz YCHOZPJJJZJFED-HNNXBMFYSA-N 1 0 275.352 3.024 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CCOCC1 ZINC000172007473 372881598 /nfs/dbraw/zinc/88/15/98/372881598.db2.gz IUQZEDMPSDBBSE-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000353494328 220116259 /nfs/dbraw/zinc/11/62/59/220116259.db2.gz ZPPSWAQLQICTIH-JTQLQIEISA-N 1 0 254.355 3.421 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCOCC1 ZINC000344858310 217336167 /nfs/dbraw/zinc/33/61/67/217336167.db2.gz MQNOPMKZCBEEOZ-LCYFTJDESA-N 1 0 290.363 3.014 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173454822 373142308 /nfs/dbraw/zinc/14/23/08/373142308.db2.gz HQQWZVRQTINRRS-OLZOCXBDSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000446906608 373378053 /nfs/dbraw/zinc/37/80/53/373378053.db2.gz PDEAXRCUWSDDSX-MRXNPFEDSA-N 1 0 292.379 3.030 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174860878 373372434 /nfs/dbraw/zinc/37/24/34/373372434.db2.gz WSJJLKOZUBGCMF-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccncc1 ZINC000344990053 217379416 /nfs/dbraw/zinc/37/94/16/217379416.db2.gz WWTZVDWMTRMPST-SDNWHVSQSA-N 1 0 297.358 3.225 20 5 CGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000447080100 373400881 /nfs/dbraw/zinc/40/08/81/373400881.db2.gz SMEJGPGTRQXXKQ-INIZCTEOSA-N 1 0 292.379 3.376 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(C)c1 ZINC000345043890 217395239 /nfs/dbraw/zinc/39/52/39/217395239.db2.gz KMIUANAGWUGHPY-JYRVWZFOSA-N 1 0 285.347 3.126 20 5 CGBDRO Cc1ncccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000175985063 373546204 /nfs/dbraw/zinc/54/62/04/373546204.db2.gz ATAIBXUVSCRIAJ-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000301094223 373658810 /nfs/dbraw/zinc/65/88/10/373658810.db2.gz MDQBDSJYQAGETF-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CCC(CC)[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289552306 197399078 /nfs/dbraw/zinc/39/90/78/197399078.db2.gz XFCCYLLWCZKZQS-OAHLLOKOSA-N 1 0 280.368 3.139 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449495606 373792650 /nfs/dbraw/zinc/79/26/50/373792650.db2.gz OQVZFALUQMVHDA-AWEZNQCLSA-N 1 0 299.374 3.062 20 5 CGBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@@H]1C ZINC000449499826 373796423 /nfs/dbraw/zinc/79/64/23/373796423.db2.gz MIBDFRYRCIWOFG-BBRMVZONSA-N 1 0 292.379 3.150 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1(O)CCCC1 ZINC000449738027 373864958 /nfs/dbraw/zinc/86/49/58/373864958.db2.gz XIILWXHUGBWOIL-UHFFFAOYSA-N 1 0 298.408 3.077 20 5 CGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000181355962 374111239 /nfs/dbraw/zinc/11/12/39/374111239.db2.gz GUIRBQDEPJFTPF-CYBMUJFWSA-N 1 0 286.331 3.324 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311940458 374262311 /nfs/dbraw/zinc/26/23/11/374262311.db2.gz XKIJICTZXWYJES-LLVKDONJSA-N 1 0 266.316 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)c(Cl)c1 ZINC000182227621 374241672 /nfs/dbraw/zinc/24/16/72/374241672.db2.gz HQBQPJMKFWJFJK-GHMZBOCLSA-N 1 0 280.755 3.480 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000312812877 374292636 /nfs/dbraw/zinc/29/26/36/374292636.db2.gz IIHCUDKWJLGJLT-LNSITVRQSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H](CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12)OC ZINC000314288951 374315825 /nfs/dbraw/zinc/31/58/25/374315825.db2.gz KLKZSZWAETVZMK-LBPRGKRZSA-N 1 0 289.335 3.288 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000183349756 374403457 /nfs/dbraw/zinc/40/34/57/374403457.db2.gz OBJGWVWFARQGIT-KBPBESRZSA-N 1 0 260.337 3.135 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000183351091 374405982 /nfs/dbraw/zinc/40/59/82/374405982.db2.gz WXEGGYJOUCJDRC-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663247 374488542 /nfs/dbraw/zinc/48/85/42/374488542.db2.gz SWPQALYHOTUVJW-AAEUAGOBSA-N 1 0 278.352 3.366 20 5 CGBDRO CCC[C@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331308307 374520436 /nfs/dbraw/zinc/52/04/36/374520436.db2.gz XACLYAQTLFBELD-MRXNPFEDSA-N 1 0 292.379 3.030 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602173 374695859 /nfs/dbraw/zinc/69/58/59/374695859.db2.gz ZEKQYTWZHUEFLO-GXSJLCMTSA-N 1 0 254.355 3.277 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636505 374704740 /nfs/dbraw/zinc/70/47/40/374704740.db2.gz RVWBYZIBCINOLH-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000187317397 375003854 /nfs/dbraw/zinc/00/38/54/375003854.db2.gz RTOYIOQPINVREN-LLVKDONJSA-N 1 0 280.393 3.216 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCC23CCCC3)c1 ZINC000474058790 375076489 /nfs/dbraw/zinc/07/64/89/375076489.db2.gz QYQPOSPHOKNVKN-HNNXBMFYSA-N 1 0 274.364 3.450 20 5 CGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000489424442 375318077 /nfs/dbraw/zinc/31/80/77/375318077.db2.gz JTDZIOGIVNUGQS-LBPRGKRZSA-N 1 0 268.744 3.479 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC12CCCC2 ZINC000189112286 375327853 /nfs/dbraw/zinc/32/78/53/375327853.db2.gz HOWNJBSICZEZKH-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO CC(C)C(C)(C)C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000189469412 375392879 /nfs/dbraw/zinc/39/28/79/375392879.db2.gz RPRAWBQTJLZPLT-UHFFFAOYSA-N 1 0 256.371 3.428 20 5 CGBDRO C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000190688446 375530828 /nfs/dbraw/zinc/53/08/28/375530828.db2.gz CKJCXPIZGTUHMZ-BPJJOFIESA-N 1 0 292.404 3.435 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000507187508 375684658 /nfs/dbraw/zinc/68/46/58/375684658.db2.gz KPPUADLIPHGFTJ-LBPRGKRZSA-N 1 0 280.368 3.470 20 5 CGBDRO CC(C)CC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000537290346 376159523 /nfs/dbraw/zinc/15/95/23/376159523.db2.gz NDXMKAPBTZYOMM-CQSZACIVSA-N 1 0 296.415 3.232 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000337313707 376210897 /nfs/dbraw/zinc/21/08/97/376210897.db2.gz XMHBEVOCDMKJKB-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889164 376416772 /nfs/dbraw/zinc/41/67/72/376416772.db2.gz AGKLVNONRBBYBC-JTQLQIEISA-N 1 0 299.321 3.015 20 5 CGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338370811 376354966 /nfs/dbraw/zinc/35/49/66/376354966.db2.gz BUXYQLZAZXUIME-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056576 376356044 /nfs/dbraw/zinc/35/60/44/376356044.db2.gz SZJXOVYFJRTQLM-STQMWFEESA-N 1 0 278.352 3.237 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230409383 376514315 /nfs/dbraw/zinc/51/43/15/376514315.db2.gz YJMLBAPMETVGQX-CZUORRHYSA-N 1 0 292.379 3.452 20 5 CGBDRO COCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000230144787 376486412 /nfs/dbraw/zinc/48/64/12/376486412.db2.gz RBYVPVIQOOOFIM-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000542254012 376525025 /nfs/dbraw/zinc/52/50/25/376525025.db2.gz VZJNPQBUGFBACZ-LBPRGKRZSA-N 1 0 262.353 3.463 20 5 CGBDRO CCC[C@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883579 376574405 /nfs/dbraw/zinc/57/44/05/376574405.db2.gz SNHZSIQBWGJMFC-NSHDSACASA-N 1 0 250.342 3.429 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000233992693 376607291 /nfs/dbraw/zinc/60/72/91/376607291.db2.gz HWEMJRBPYFEDTR-GXTWGEPZSA-N 1 0 280.393 3.359 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000545018667 376778088 /nfs/dbraw/zinc/77/80/88/376778088.db2.gz XBVMMDINUAPPOL-DOMZBBRYSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000245513439 376840351 /nfs/dbraw/zinc/84/03/51/376840351.db2.gz AKJYZTBPUOEGGE-TZMCWYRMSA-N 1 0 278.352 3.075 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000340472050 377083355 /nfs/dbraw/zinc/08/33/55/377083355.db2.gz ZNVTVKRMZGSJSE-GHMZBOCLSA-N 1 0 284.331 3.392 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000248513129 377335203 /nfs/dbraw/zinc/33/52/03/377335203.db2.gz DAAFSJQDWXCDKE-YWPYICTPSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CCC3)cs2)c1 ZINC000264992859 190150971 /nfs/dbraw/zinc/15/09/71/190150971.db2.gz XMQDJZIMLRDUMK-UHFFFAOYSA-N 1 0 289.360 3.360 20 5 CGBDRO CCC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000314380449 249095519 /nfs/dbraw/zinc/09/55/19/249095519.db2.gz REKAGKRKEQPSLU-UHFFFAOYSA-N 1 0 295.358 3.329 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234513 249095686 /nfs/dbraw/zinc/09/56/86/249095686.db2.gz XJXWJHPGRJHADO-NEPJUHHUSA-N 1 0 293.342 3.081 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573862006 377584656 /nfs/dbraw/zinc/58/46/56/377584656.db2.gz AXSOPOQVSTZSIK-INIZCTEOSA-N 1 0 297.358 3.118 20 5 CGBDRO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255061850 377728838 /nfs/dbraw/zinc/72/88/38/377728838.db2.gz HNNTWYCVSLFPLH-BRLPQQTGSA-N 1 0 292.404 3.435 20 5 CGBDRO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255056904 377729266 /nfs/dbraw/zinc/72/92/66/377729266.db2.gz SGJSFTNPBOCZEL-ALCCZGGFSA-N 1 0 292.404 3.435 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCCCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000342828290 377824665 /nfs/dbraw/zinc/82/46/65/377824665.db2.gz XLVGZHPDJQUBFA-OAHLLOKOSA-N 1 0 292.379 3.030 20 5 CGBDRO Cn1ccnc1[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000343259066 377941319 /nfs/dbraw/zinc/94/13/19/377941319.db2.gz WWTDKEVTKZRNPC-ZDUSSCGKSA-N 1 0 290.298 3.031 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000343320120 377951596 /nfs/dbraw/zinc/95/15/96/377951596.db2.gz PUDPJDFQBQUCFA-OAHLLOKOSA-N 1 0 278.352 3.094 20 5 CGBDRO CCc1ccc(CNCc2ccc(OC)c([N+](=O)[O-])c2)o1 ZINC000268434947 378058912 /nfs/dbraw/zinc/05/89/12/378058912.db2.gz BMQLZRKGSSAYPA-UHFFFAOYSA-N 1 0 290.319 3.049 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268929232 378154273 /nfs/dbraw/zinc/15/42/73/378154273.db2.gz ZAVOMSUINOCTHO-BBRMVZONSA-N 1 0 294.395 3.057 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651721 378248953 /nfs/dbraw/zinc/24/89/53/378248953.db2.gz MOEZQFIUOHDSCS-CABCVRRESA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000270667607 378383892 /nfs/dbraw/zinc/38/38/92/378383892.db2.gz PSYHGWZUYLXMCC-HIFRSBDPSA-N 1 0 292.379 3.278 20 5 CGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000270667608 378384849 /nfs/dbraw/zinc/38/48/49/378384849.db2.gz PSYHGWZUYLXMCC-UKRRQHHQSA-N 1 0 292.379 3.278 20 5 CGBDRO CC(C)OCCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000271205319 378484365 /nfs/dbraw/zinc/48/43/65/378484365.db2.gz RMWPZEFIVPEIIP-RMKNXTFCSA-N 1 0 292.379 3.355 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272949002 378729182 /nfs/dbraw/zinc/72/91/82/378729182.db2.gz DCUOFIBKGIDKKQ-MCIONIFRSA-N 1 0 292.379 3.451 20 5 CGBDRO CCCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278659066 194088745 /nfs/dbraw/zinc/08/87/45/194088745.db2.gz KHRIJPHIDRRDLG-JTQLQIEISA-N 1 0 276.340 3.139 20 5 CGBDRO Cc1ccc(C[NH+]2CCC(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000353687382 220256883 /nfs/dbraw/zinc/25/68/83/220256883.db2.gz ZJGFFUWGLKVJDJ-UHFFFAOYSA-N 1 0 284.306 3.380 20 5 CGBDRO O=[N+]([O-])c1ccccc1NC1CC([NH+]2CCCCC2)C1 ZINC000373673332 379317870 /nfs/dbraw/zinc/31/78/70/379317870.db2.gz RIJJYKQMXBEXAD-UHFFFAOYSA-N 1 0 275.352 3.024 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000374004067 379357887 /nfs/dbraw/zinc/35/78/87/379357887.db2.gz UQBGXJIBBCJJDM-AWEZNQCLSA-N 1 0 286.331 3.486 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650433 379472865 /nfs/dbraw/zinc/47/28/65/379472865.db2.gz XSVHDLGAUJFFOJ-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280163809 379625997 /nfs/dbraw/zinc/62/59/97/379625997.db2.gz FMEQERFMFJGQBW-HNNXBMFYSA-N 1 0 296.342 3.125 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000393647049 379915355 /nfs/dbraw/zinc/91/53/55/379915355.db2.gz JECNWEMFBKSOKE-LLVKDONJSA-N 1 0 280.368 3.043 20 5 CGBDRO COc1cc(C[N@H+](C(C)C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352784910 379958625 /nfs/dbraw/zinc/95/86/25/379958625.db2.gz SJAPDOYAGOKJDJ-UHFFFAOYSA-N 1 0 278.352 3.366 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414578464 380326723 /nfs/dbraw/zinc/32/67/23/380326723.db2.gz IBUZZWJMIBFLLT-CRHJNNSXSA-N 1 0 284.315 3.347 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000355114266 380580635 /nfs/dbraw/zinc/58/06/35/380580635.db2.gz UKKXXAXDYUZHLU-HZMBPMFUSA-N 1 0 264.300 3.108 20 5 CGBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CCC1 ZINC000355605258 380725471 /nfs/dbraw/zinc/72/54/71/380725471.db2.gz IRTBESWCTHKGOQ-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000355769013 380772733 /nfs/dbraw/zinc/77/27/33/380772733.db2.gz QIQKUPQQAASBKH-NBVGUUKWSA-N 1 0 290.363 3.013 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469883 381553953 /nfs/dbraw/zinc/55/39/53/381553953.db2.gz YAZYQEZHSARGRT-BXUZGUMPSA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)N(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361416951 381739830 /nfs/dbraw/zinc/73/98/30/381739830.db2.gz UUARZGXGCWEFGK-NSHDSACASA-N 1 0 298.770 3.248 20 5 CGBDRO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000361421821 381742076 /nfs/dbraw/zinc/74/20/76/381742076.db2.gz WRDJEQBOOMOBIO-ZDUSSCGKSA-N 1 0 298.770 3.248 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000361616818 381839415 /nfs/dbraw/zinc/83/94/15/381839415.db2.gz PZOVFUMMCNMQEF-JTQLQIEISA-N 1 0 284.331 3.219 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3occc32)cc1 ZINC000020204974 285115739 /nfs/dbraw/zinc/11/57/39/285115739.db2.gz LAWVRFYYXZGURR-AWEZNQCLSA-N 1 0 272.304 3.355 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000040735899 391985061 /nfs/dbraw/zinc/98/50/61/391985061.db2.gz ZOWDVSZKEVGJOL-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO C[C@H](Cc1ccoc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000361931657 392366594 /nfs/dbraw/zinc/36/65/94/392366594.db2.gz XRPMVMCZJYTAIK-VXGBXAGGSA-N 1 0 274.320 3.470 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000361981635 392380689 /nfs/dbraw/zinc/38/06/89/392380689.db2.gz OODWEHAKIGDUEF-HSBZDZAISA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295045686 392542764 /nfs/dbraw/zinc/54/27/64/392542764.db2.gz PVYPIZFNOLFKDZ-CABCVRRESA-N 1 0 292.379 3.111 20 5 CGBDRO COC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000162226704 392592487 /nfs/dbraw/zinc/59/24/87/392592487.db2.gz XUSDQSYFOBHPLC-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO CN(CC[N@H+](C)C1CCCCC1)c1sccc1[N+](=O)[O-] ZINC000301974402 392605502 /nfs/dbraw/zinc/60/55/02/392605502.db2.gz AQWTYIXQHNAAJM-UHFFFAOYSA-N 1 0 297.424 3.357 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@@H]1C ZINC000466421378 393028927 /nfs/dbraw/zinc/02/89/27/393028927.db2.gz DLIZCUZGFBVFCZ-AAEUAGOBSA-N 1 0 262.353 3.429 20 5 CGBDRO CCSCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000281844107 393356515 /nfs/dbraw/zinc/35/65/15/393356515.db2.gz ATXSVIFTEQDLRT-UHFFFAOYSA-N 1 0 268.382 3.136 20 5 CGBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000356421795 393440118 /nfs/dbraw/zinc/44/01/18/393440118.db2.gz USLRKQPEINBTQG-LBPRGKRZSA-N 1 0 286.759 3.153 20 5 CGBDRO Cc1cc(NCCCC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420239768 393441222 /nfs/dbraw/zinc/44/12/22/393441222.db2.gz TXAJVSIVNNGHQZ-UHFFFAOYSA-N 1 0 291.273 3.073 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@@H](C)C(C)C ZINC000430225545 393543481 /nfs/dbraw/zinc/54/34/81/393543481.db2.gz YIACDKXQFTUWIV-LBPRGKRZSA-N 1 0 280.368 3.470 20 5 CGBDRO C[C@@H]1CCSCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000429769295 393500450 /nfs/dbraw/zinc/50/04/50/393500450.db2.gz VISSXZRAPMBSQC-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000488451490 393520224 /nfs/dbraw/zinc/52/02/24/393520224.db2.gz VEIQHMZASBFBBK-TZMCWYRMSA-N 1 0 262.353 3.163 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C(C)C ZINC000430193091 393536228 /nfs/dbraw/zinc/53/62/28/393536228.db2.gz CZILXGMDSQYVFE-NSHDSACASA-N 1 0 266.341 3.080 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421023929 393580344 /nfs/dbraw/zinc/58/03/44/393580344.db2.gz WUMZUVXAYKNAAQ-UONOGXRCSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000361024946 393647819 /nfs/dbraw/zinc/64/78/19/393647819.db2.gz GNANPWBXHFVGGY-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491185804 393670814 /nfs/dbraw/zinc/67/08/14/393670814.db2.gz IOQQLGRJYBAFNC-SMDDNHRTSA-N 1 0 260.337 3.388 20 5 CGBDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453224645 394211085 /nfs/dbraw/zinc/21/10/85/394211085.db2.gz UEQLIAODZIEJMY-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1 ZINC000453583840 394250518 /nfs/dbraw/zinc/25/05/18/394250518.db2.gz DKQQEZMIQHVNSL-UHFFFAOYSA-N 1 0 270.279 3.120 20 5 CGBDRO Cc1ccc(C[NH2+]CCC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000453593390 394252208 /nfs/dbraw/zinc/25/22/08/394252208.db2.gz VDFVACHBOQIKDE-UHFFFAOYSA-N 1 0 284.306 3.428 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000090537202 292306995 /nfs/dbraw/zinc/30/69/95/292306995.db2.gz MADNALDSSOPNRM-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000037505902 286886023 /nfs/dbraw/zinc/88/60/23/286886023.db2.gz JTQCAQOWUPOHFO-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000048777031 286910704 /nfs/dbraw/zinc/91/07/04/286910704.db2.gz OPRRQINXOXCBMV-ZDUSSCGKSA-N 1 0 286.331 3.324 20 5 CGBDRO Cc1cccc(CC[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000062726573 286961137 /nfs/dbraw/zinc/96/11/37/286961137.db2.gz YLSDIGROJARSHG-UHFFFAOYSA-N 1 0 284.359 3.278 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000075769412 165104199 /nfs/dbraw/zinc/10/41/99/165104199.db2.gz WSJGAGQLKZHGKW-KBPBESRZSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284203973 196002372 /nfs/dbraw/zinc/00/23/72/196002372.db2.gz SIRCUMKTPZRBCT-GFCCVEGCSA-N 1 0 285.347 3.336 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2ccccc2)c1 ZINC000020122763 171003669 /nfs/dbraw/zinc/00/36/69/171003669.db2.gz FEQOYIFOQBKYNJ-UHFFFAOYSA-N 1 0 270.332 3.317 20 5 CGBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020145124 171030351 /nfs/dbraw/zinc/03/03/51/171030351.db2.gz ANINABDQQHXEIT-LBPRGKRZSA-N 1 0 274.320 3.299 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3occc32)c1 ZINC000020204969 171070533 /nfs/dbraw/zinc/07/05/33/171070533.db2.gz VCUJIFQBQAHLJO-AWEZNQCLSA-N 1 0 272.304 3.355 20 5 CGBDRO C[N@H+](CCCCCF)CCc1cccc([N+](=O)[O-])c1 ZINC000284886432 196150898 /nfs/dbraw/zinc/15/08/98/196150898.db2.gz TZUDXSJJSONCKS-UHFFFAOYSA-N 1 0 268.332 3.209 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000126570720 287268212 /nfs/dbraw/zinc/26/82/12/287268212.db2.gz DJWJXLHLUNPBDW-LBPRGKRZSA-N 1 0 298.408 3.047 20 5 CGBDRO CC[C@@H]([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000285578934 196332831 /nfs/dbraw/zinc/33/28/31/196332831.db2.gz KBDUWHXDLHPHOL-CYBMUJFWSA-N 1 0 254.305 3.385 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044537586 175199840 /nfs/dbraw/zinc/19/98/40/175199840.db2.gz VKTKTMTWPYSTOG-JTQLQIEISA-N 1 0 283.759 3.002 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC1 ZINC000358190335 533682093 /nfs/dbraw/zinc/68/20/93/533682093.db2.gz NNRZXGWXXSTCSI-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO CCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151030949 287505060 /nfs/dbraw/zinc/50/50/60/287505060.db2.gz XMTINTOWSJOYSC-AWEZNQCLSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(C)=CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188455546 262297940 /nfs/dbraw/zinc/29/79/40/262297940.db2.gz HFLDOTJVMFYCES-HNNXBMFYSA-N 1 0 274.364 3.472 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)COCC)c1cccc([N+](=O)[O-])c1 ZINC000044690550 270037441 /nfs/dbraw/zinc/03/74/41/270037441.db2.gz AFIFHSIEUOMOPM-WFASDCNBSA-N 1 0 280.368 3.451 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000189372161 270071350 /nfs/dbraw/zinc/07/13/50/270071350.db2.gz QXDVHYSATKFFMI-WOSRLPQWSA-N 1 0 292.379 3.321 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000237580637 270090609 /nfs/dbraw/zinc/09/06/09/270090609.db2.gz CYXCWTGLZYINLR-QMMMGPOBSA-N 1 0 286.278 3.084 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1ccccc1 ZINC000237946515 270091021 /nfs/dbraw/zinc/09/10/21/270091021.db2.gz AVQRBMIHHGQXHR-UXBLZVDNSA-N 1 0 282.343 3.440 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000325019875 270094708 /nfs/dbraw/zinc/09/47/08/270094708.db2.gz IEGORJKDDISETN-INIZCTEOSA-N 1 0 274.364 3.306 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000523607614 270109992 /nfs/dbraw/zinc/10/99/92/270109992.db2.gz LTWVIZVNUKNJCT-NSHDSACASA-N 1 0 250.342 3.381 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531984410 270212472 /nfs/dbraw/zinc/21/24/72/270212472.db2.gz LGYLYQZJRNOTQF-SWLSCSKDSA-N 1 0 280.368 3.225 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000532780095 270219335 /nfs/dbraw/zinc/21/93/35/270219335.db2.gz SMNJJIFITOPBMQ-CHWSQXEVSA-N 1 0 292.379 3.471 20 5 CGBDRO CC(C)OCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433234077 273540729 /nfs/dbraw/zinc/54/07/29/273540729.db2.gz IXMREKRGMMVECS-OAHLLOKOSA-N 1 0 292.379 3.332 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](C)O ZINC000453335098 273752911 /nfs/dbraw/zinc/75/29/11/273752911.db2.gz XQVCGLKTTPXFLA-ONERCXAPSA-N 1 0 292.379 3.066 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452016090 274284043 /nfs/dbraw/zinc/28/40/43/274284043.db2.gz WCTXYPDGUOIJFP-SNVBAGLBSA-N 1 0 288.351 3.234 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC3)CCC2 ZINC000335247833 275038408 /nfs/dbraw/zinc/03/84/08/275038408.db2.gz DWPJUKSGSWFLQR-ZIAGYGMSSA-N 1 0 258.321 3.114 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000449760406 276467121 /nfs/dbraw/zinc/46/71/21/276467121.db2.gz OIRBSDQOHFAOGH-HUUCEWRRSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000459764313 277632780 /nfs/dbraw/zinc/63/27/80/277632780.db2.gz CRDYDXWJHFAZJN-RFHZTLPTSA-N 1 0 260.337 3.434 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000449411840 278037370 /nfs/dbraw/zinc/03/73/70/278037370.db2.gz AMVYEPCNCMVYKI-OAHLLOKOSA-N 1 0 292.379 3.375 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000449448298 278037393 /nfs/dbraw/zinc/03/73/93/278037393.db2.gz GSTRYCGDZOJUAT-GFCCVEGCSA-N 1 0 294.395 3.357 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000395103087 288005626 /nfs/dbraw/zinc/00/56/26/288005626.db2.gz ALDSXESFRMSKQP-ZDMBXUJBSA-N 1 0 268.744 3.382 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC(C)(C)C1 ZINC000395487918 288009575 /nfs/dbraw/zinc/00/95/75/288009575.db2.gz KIRGXZRHRZNCMV-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038096033 288042636 /nfs/dbraw/zinc/04/26/36/288042636.db2.gz RVWHUISVJKMQHY-GJZGRUSLSA-N 1 0 278.352 3.205 20 5 CGBDRO CCC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583600 278641115 /nfs/dbraw/zinc/64/11/15/278641115.db2.gz BQXQFNCSBBDFCV-QWHCGFSZSA-N 1 0 292.383 3.055 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346801869 288088112 /nfs/dbraw/zinc/08/81/12/288088112.db2.gz CNHHTOLAQIDWII-KCXAZCMYSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278789374 278993844 /nfs/dbraw/zinc/99/38/44/278993844.db2.gz QGHQQPDIRSAGPY-AXAPSJFSSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CC3(C2)CCCCC3)cc1 ZINC000459598011 288100063 /nfs/dbraw/zinc/10/00/63/288100063.db2.gz QQOBGQUZUXPLQT-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO Cc1cccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)n1 ZINC000285626428 281214324 /nfs/dbraw/zinc/21/43/24/281214324.db2.gz QYQUEYMLFHBFMA-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000540725103 288668710 /nfs/dbraw/zinc/66/87/10/288668710.db2.gz SAFWNFNFSXKHOU-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000542703776 288767377 /nfs/dbraw/zinc/76/73/77/288767377.db2.gz WIMYVZDQPCSXDP-VXGBXAGGSA-N 1 0 280.393 3.229 20 5 CGBDRO Cc1cc(N2CC[C@@](C)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000543975731 288826346 /nfs/dbraw/zinc/82/63/46/288826346.db2.gz HKHNOEAPVRQEJG-OAHLLOKOSA-N 1 0 289.310 3.390 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000549545515 289046204 /nfs/dbraw/zinc/04/62/04/289046204.db2.gz XPQJZUJATOWHGT-XFJVYGCCSA-N 1 0 290.363 3.311 20 5 CGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549996441 289063652 /nfs/dbraw/zinc/06/36/52/289063652.db2.gz CHPBJAZUMKNCGS-GFCCVEGCSA-N 1 0 278.352 3.168 20 5 CGBDRO CC(C)[C@H]1CCC[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])C1 ZINC000549996442 289063726 /nfs/dbraw/zinc/06/37/26/289063726.db2.gz CHPBJAZUMKNCGS-LBPRGKRZSA-N 1 0 278.352 3.168 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@@H](CC3CC3)C2)c(F)c1 ZINC000550405553 289075853 /nfs/dbraw/zinc/07/58/53/289075853.db2.gz SSQAOSLOAZEYOB-NSHDSACASA-N 1 0 296.317 3.495 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)O ZINC000551272630 289107099 /nfs/dbraw/zinc/10/70/99/289107099.db2.gz LULDIYYFMBORHR-SMDDNHRTSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000389029050 328604849 /nfs/dbraw/zinc/60/48/49/328604849.db2.gz XAQLGILSVPJHBI-MNOVXSKESA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000161586009 321870108 /nfs/dbraw/zinc/87/01/08/321870108.db2.gz NXAVGFOJTHFAAO-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000324427624 321961951 /nfs/dbraw/zinc/96/19/51/321961951.db2.gz TVFWLXXWRQBLNJ-HNNXBMFYSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000565219505 322067516 /nfs/dbraw/zinc/06/75/16/322067516.db2.gz XXBBRSALYQLDRF-DZKIICNBSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000569866935 322259097 /nfs/dbraw/zinc/25/90/97/322259097.db2.gz DDJAKWWPSPEAJN-HNNXBMFYSA-N 1 0 268.316 3.372 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC23CCC3)ccc1[N+](=O)[O-] ZINC000571592613 322303020 /nfs/dbraw/zinc/30/30/20/322303020.db2.gz XQPYFZAETCNANG-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131552375 533707191 /nfs/dbraw/zinc/70/71/91/533707191.db2.gz BYFRBXXRIAAJSW-GHMZBOCLSA-N 1 0 268.382 3.305 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000576132263 335159002 /nfs/dbraw/zinc/15/90/02/335159002.db2.gz NIQOULHFBIJTBR-FDRIWYBQSA-N 1 0 292.379 3.305 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000577570277 335370554 /nfs/dbraw/zinc/37/05/54/335370554.db2.gz SVXKBROQWXRKEA-NSHDSACASA-N 1 0 280.368 3.470 20 5 CGBDRO Cc1cc(N2CCC[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000578586164 335651303 /nfs/dbraw/zinc/65/13/03/335651303.db2.gz NNZZDCSVFUSJJD-LLVKDONJSA-N 1 0 289.310 3.390 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000449403675 533715968 /nfs/dbraw/zinc/71/59/68/533715968.db2.gz QWNKEUOAZMOBOI-ZDUSSCGKSA-N 1 0 299.374 3.409 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090725236 533923349 /nfs/dbraw/zinc/92/33/49/533923349.db2.gz LMIPDYHNDXVSPV-GXSJLCMTSA-N 1 0 268.382 3.305 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1F ZINC000449343296 534254038 /nfs/dbraw/zinc/25/40/38/534254038.db2.gz JGUFODSYGQFYAO-UHTWSYAYSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1 ZINC000449235522 534254177 /nfs/dbraw/zinc/25/41/77/534254177.db2.gz VBHNAMAMQQRKDH-GXTWGEPZSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCCO1 ZINC000449233604 534254260 /nfs/dbraw/zinc/25/42/60/534254260.db2.gz MGZKGXMQBIBONT-ZFWWWQNUSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C2CC2)CC1 ZINC000449201866 534254326 /nfs/dbraw/zinc/25/43/26/534254326.db2.gz JFQQMIIENUOWON-LBPRGKRZSA-N 1 0 274.364 3.306 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000094424264 520523438 /nfs/dbraw/zinc/52/34/38/520523438.db2.gz DZRWWJPZAKXFPR-CYBMUJFWSA-N 1 0 278.352 3.031 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000087710808 520549672 /nfs/dbraw/zinc/54/96/72/520549672.db2.gz MUPMCYORMORWSA-CABCVRRESA-N 1 0 290.363 3.032 20 5 CGBDRO CC[C@@H]([NH2+]CC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928459 522821259 /nfs/dbraw/zinc/82/12/59/522821259.db2.gz CMXJUHAZYHGQRB-OAHLLOKOSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@](CO)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000265765208 525141778 /nfs/dbraw/zinc/14/17/78/525141778.db2.gz KQBSLWRLIGFIDO-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449373939 528155900 /nfs/dbraw/zinc/15/59/00/528155900.db2.gz CZNQSMPQDMBUBD-UKRRQHHQSA-N 1 0 294.395 3.321 20 5 CGBDRO CCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449063579 528217068 /nfs/dbraw/zinc/21/70/68/528217068.db2.gz MZMGJMKRHHSAID-GFCCVEGCSA-N 1 0 250.342 3.306 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1c(F)cccc1[N+](=O)[O-] ZINC000355048489 528425606 /nfs/dbraw/zinc/42/56/06/528425606.db2.gz YMKVQKKIZGVOTF-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449327932 528569211 /nfs/dbraw/zinc/56/92/11/528569211.db2.gz GYDUTLJGJNWAKO-CYBMUJFWSA-N 1 0 294.395 3.178 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298272 528823198 /nfs/dbraw/zinc/82/31/98/528823198.db2.gz NVGAFZMJLOFZSN-OCCSQVGLSA-N 1 0 279.384 3.071 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000162239070 528832354 /nfs/dbraw/zinc/83/23/54/528832354.db2.gz VLQPIJMHBURKFX-HOTGVXAUSA-N 1 0 294.395 3.433 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155809 528950629 /nfs/dbraw/zinc/95/06/29/528950629.db2.gz MGNVWHRSDUFPHS-OLZOCXBDSA-N 1 0 264.369 3.408 20 5 CGBDRO CCC[C@@H]([NH2+]CC(C)(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000178164662 529005442 /nfs/dbraw/zinc/00/54/42/529005442.db2.gz CKTKHKJAYBFYKQ-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO CC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000066594385 535155001 /nfs/dbraw/zinc/15/50/01/535155001.db2.gz ONIYJNHGGSEHTN-UHFFFAOYSA-N 1 0 254.355 3.326 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000313087852 536011281 /nfs/dbraw/zinc/01/12/81/536011281.db2.gz MEURUVMXNXLGGO-WHOFXGATSA-N 1 0 280.368 3.103 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000728289559 571799854 /nfs/dbraw/zinc/79/98/54/571799854.db2.gz OWWPMSRQPNMPLZ-CQSZACIVSA-N 1 0 278.327 3.498 20 5 CGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1CC1CCCCC1 ZINC000747076665 572907868 /nfs/dbraw/zinc/90/78/68/572907868.db2.gz QLPWMVJAYYBGCW-CQSZACIVSA-N 1 0 292.383 3.184 20 5 CGBDRO Cc1cc(C)nc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000930594579 619027474 /nfs/dbraw/zinc/02/74/74/619027474.db2.gz MFMRRNLJJLGHTP-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893284012 619066419 /nfs/dbraw/zinc/06/64/19/619066419.db2.gz CDCADGQTJVRTOG-FZMZJTMJSA-N 1 0 298.770 3.153 20 5 CGBDRO CC[N@H+](CCNc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000219982868 619079895 /nfs/dbraw/zinc/07/98/95/619079895.db2.gz BDSPURIAOLBIHP-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)[N@H+](C)C1CC1 ZINC000220103407 619093483 /nfs/dbraw/zinc/09/34/83/619093483.db2.gz SBDJURVLMIEGND-SECBINFHSA-N 1 0 299.321 3.427 20 5 CGBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640507 619101202 /nfs/dbraw/zinc/10/12/02/619101202.db2.gz IMUAKWVCCJAOQT-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CSC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464036 620340615 /nfs/dbraw/zinc/34/06/15/620340615.db2.gz JTUIANOJWYPPCM-NTZNESFSSA-N 1 0 280.393 3.039 20 5 CGBDRO CN(Cc1cccc2ccccc21)Cn1nccc1[N+](=O)[O-] ZINC000054545466 620407262 /nfs/dbraw/zinc/40/72/62/620407262.db2.gz BEOVMDROEXNZNU-UHFFFAOYSA-N 1 0 296.330 3.034 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN[C@H]1CC[NH2+]C1 ZINC000841044823 620543264 /nfs/dbraw/zinc/54/32/64/620543264.db2.gz JIHKWAARZMEUNT-INIZCTEOSA-N 1 0 276.383 3.445 20 5 CGBDRO CNc1ccc(C)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000902196551 621191717 /nfs/dbraw/zinc/19/17/17/621191717.db2.gz SUBRAJVNTYHYJR-UHFFFAOYSA-N 1 0 299.374 3.277 20 5 CGBDRO CNc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000902525169 621362209 /nfs/dbraw/zinc/36/22/09/621362209.db2.gz WRMLGCLKJMOJRX-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000903118582 621588136 /nfs/dbraw/zinc/58/81/36/621588136.db2.gz FLMTVGWOIUDGCB-YPMHNXCESA-N 1 0 276.336 3.363 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@@H](C)SC)cc([N+](=O)[O-])c1 ZINC000903127295 621590431 /nfs/dbraw/zinc/59/04/31/621590431.db2.gz HVJIGHOCBNQDPD-ZJUUUORDSA-N 1 0 284.381 3.006 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903179087 621615036 /nfs/dbraw/zinc/61/50/36/621615036.db2.gz MJGUIDDSACMBNL-ABAIWWIYSA-N 1 0 296.367 3.069 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000903245723 621637712 /nfs/dbraw/zinc/63/77/12/621637712.db2.gz ONUNGWATZJWLAX-YDHLFZDLSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1ncco1)c1ccccc1[N+](=O)[O-] ZINC000903245865 621638072 /nfs/dbraw/zinc/63/80/72/621638072.db2.gz PJKBVLSIGJJPPH-QWRGUYRKSA-N 1 0 275.308 3.037 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000903287852 621670309 /nfs/dbraw/zinc/67/03/09/621670309.db2.gz RGTLWKYMHWQNAL-XUJVJEKNSA-N 1 0 278.352 3.203 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903332495 621707125 /nfs/dbraw/zinc/70/71/25/621707125.db2.gz SYHIZLAAWQSHSZ-NEPJUHHUSA-N 1 0 280.368 3.367 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C/C=C/Cl)cccc1[N+](=O)[O-] ZINC000903443216 621754397 /nfs/dbraw/zinc/75/43/97/621754397.db2.gz DGFXOPNGWTZJBL-LJJSCBMDSA-N 1 0 254.717 3.306 20 5 CGBDRO C[N@H+](Cc1ccccc1NCC[N+](=O)[O-])C1CCCCC1 ZINC000905295681 622055323 /nfs/dbraw/zinc/05/53/23/622055323.db2.gz VDZSUDUAZJQAFT-UHFFFAOYSA-N 1 0 291.395 3.140 20 5 CGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386617 623320581 /nfs/dbraw/zinc/32/05/81/623320581.db2.gz RSKQROZUWXMRCG-RISCZKNCSA-N 1 0 294.399 3.266 20 5 CGBDRO Cc1nn(C[N@H+]2CCC[C@@H](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000153293938 623842352 /nfs/dbraw/zinc/84/23/52/623842352.db2.gz MQIAPCAKGLIHAJ-CQSZACIVSA-N 1 0 294.399 3.124 20 5 CGBDRO CC[N@H+](CCc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000920256389 624463865 /nfs/dbraw/zinc/46/38/65/624463865.db2.gz DNYDBFDURXIODW-UHFFFAOYSA-N 1 0 285.347 3.054 20 5 CGBDRO CC(C)C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669078 626185763 /nfs/dbraw/zinc/18/57/63/626185763.db2.gz CPAQINUUVBHHRK-WDEREUQCSA-N 1 0 265.357 3.262 20 5 CGBDRO CC(C)(C)C1CC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000838986909 626291755 /nfs/dbraw/zinc/29/17/55/626291755.db2.gz PTLMCYPULULQOW-SSDMNJCBSA-N 1 0 292.379 3.043 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000839636614 626767807 /nfs/dbraw/zinc/76/78/07/626767807.db2.gz AVRNMKOWEGQJCG-BONVTDFDSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839657670 626770490 /nfs/dbraw/zinc/77/04/90/626770490.db2.gz DTPXJEWIYQTDPK-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839663797 626772394 /nfs/dbraw/zinc/77/23/94/626772394.db2.gz KRHAZPUMTKCBJM-OAHLLOKOSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCOCC2CCC2)c1 ZINC000764977301 627234946 /nfs/dbraw/zinc/23/49/46/627234946.db2.gz NBVCMEMTKGXCAI-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@H](CC(N)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000765792001 627270971 /nfs/dbraw/zinc/27/09/71/627270971.db2.gz VDVXWTURCZNJNU-CYBMUJFWSA-N 1 0 292.382 3.347 20 5 CGBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CCC1 ZINC000774634135 628010301 /nfs/dbraw/zinc/01/03/01/628010301.db2.gz AAZZEPXYSAEGKK-UHFFFAOYSA-N 1 0 294.742 3.040 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1/C=C\c1ccccc1 ZINC000791051604 629252883 /nfs/dbraw/zinc/25/28/83/629252883.db2.gz GMMIBUNWAJITTH-BLIJAFNYSA-N 1 0 274.364 3.221 20 5 CGBDRO COCCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000793330390 629444054 /nfs/dbraw/zinc/44/40/54/629444054.db2.gz XUAWESOATWGMLR-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC000796530616 629796586 /nfs/dbraw/zinc/79/65/86/629796586.db2.gz IGAYJXHCJGIXLN-HUUCEWRRSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000865698648 630387075 /nfs/dbraw/zinc/38/70/75/630387075.db2.gz DYHGTLRRPVEBTA-CXSYMGSUSA-N 1 0 278.327 3.478 20 5 CGBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718414 630790348 /nfs/dbraw/zinc/79/03/48/630790348.db2.gz JTYHAXYTETWZJR-GZMMTYOYSA-N 1 0 254.717 3.136 20 5 CGBDRO C[C@@H]([NH2+]CC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552823 631794106 /nfs/dbraw/zinc/79/41/06/631794106.db2.gz LAUICUVXHIZADV-LLVKDONJSA-N 1 0 277.368 3.408 20 5 CGBDRO CCC1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000815587192 631801908 /nfs/dbraw/zinc/80/19/08/631801908.db2.gz BYZIRHWWWJBALF-NSHDSACASA-N 1 0 277.368 3.408 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597473 631803795 /nfs/dbraw/zinc/80/37/95/631803795.db2.gz WPYLKFWXSOFEGO-ONGXEEELSA-N 1 0 299.321 3.406 20 5 CGBDRO C[C@@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816643968 632031690 /nfs/dbraw/zinc/03/16/90/632031690.db2.gz XVPOJSNUBLCRRI-MRVPVSSYSA-N 1 0 260.696 3.086 20 5 CGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819342305 632434796 /nfs/dbraw/zinc/43/47/96/632434796.db2.gz PJFKUJMELWGOPO-INWMFGNUSA-N 1 0 292.379 3.044 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865917018 632949107 /nfs/dbraw/zinc/94/91/07/632949107.db2.gz XLRPNHFSZGQWEU-JGZJWPJOSA-N 1 0 299.321 3.285 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866238782 633039456 /nfs/dbraw/zinc/03/94/56/633039456.db2.gz PJSCTGRNALPDSG-GFCCVEGCSA-N 1 0 298.358 3.071 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866481159 633153516 /nfs/dbraw/zinc/15/35/16/633153516.db2.gz OZLUCQSDWHXQIO-CMPLNLGQSA-N 1 0 295.408 3.113 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000866505084 633165004 /nfs/dbraw/zinc/16/50/04/633165004.db2.gz SQIZIRVNEPLHGA-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO CC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872034400 633953143 /nfs/dbraw/zinc/95/31/43/633953143.db2.gz NMYSEVRYZQMVAQ-QMTHXVAHSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@H]([NH2+]CC1(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050085 633973598 /nfs/dbraw/zinc/97/35/98/633973598.db2.gz WSFPWSBVPHJPNH-VIFPVBQESA-N 1 0 252.289 3.185 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC(C)(C)O ZINC000872064207 633986000 /nfs/dbraw/zinc/98/60/00/633986000.db2.gz XFAALRFSNNFQHR-SNVBAGLBSA-N 1 0 298.408 3.128 20 5 CGBDRO CO[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064130 633986412 /nfs/dbraw/zinc/98/64/12/633986412.db2.gz CGOHXWRXDYZFFQ-UWVGGRQHSA-N 1 0 284.381 3.002 20 5 CGBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064519 633986504 /nfs/dbraw/zinc/98/65/04/633986504.db2.gz HSQXCVAIGFGBDE-DCAQKATOSA-N 1 0 298.408 3.391 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H](C)O ZINC000872066549 633988770 /nfs/dbraw/zinc/98/87/70/633988770.db2.gz JEBMGAZVVGNTMD-MNOVXSKESA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccoc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083802 634007870 /nfs/dbraw/zinc/00/78/70/634007870.db2.gz ACJLHKRCXRENKX-SNVBAGLBSA-N 1 0 278.283 3.220 20 5 CGBDRO C[C@@H](NCc1nccn1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000873184246 634272865 /nfs/dbraw/zinc/27/28/65/634272865.db2.gz HYYAPIBYJNTZRL-SECBINFHSA-N 1 0 296.277 3.037 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000873183356 634273123 /nfs/dbraw/zinc/27/31/23/634273123.db2.gz HXZQLBPQESKQDP-AVGNSLFASA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](NCc1nccn1C(F)F)c1ccccc1[N+](=O)[O-] ZINC000873183358 634273155 /nfs/dbraw/zinc/27/31/55/634273155.db2.gz HYYAPIBYJNTZRL-VIFPVBQESA-N 1 0 296.277 3.037 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)SC ZINC000877019012 634951747 /nfs/dbraw/zinc/95/17/47/634951747.db2.gz DQVCLTAGSMVDHC-UHFFFAOYSA-N 1 0 298.408 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000877561513 635090790 /nfs/dbraw/zinc/09/07/90/635090790.db2.gz HRJXWKOMZNMJBA-HNNXBMFYSA-N 1 0 260.337 3.196 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000877630907 635122734 /nfs/dbraw/zinc/12/27/34/635122734.db2.gz CHASDZBVRDZRGD-OLZOCXBDSA-N 1 0 292.379 3.211 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000842162277 635301689 /nfs/dbraw/zinc/30/16/89/635301689.db2.gz GOBUYUBOTNPYRV-QLFBSQMISA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1conc1CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000877993111 635310413 /nfs/dbraw/zinc/31/04/13/635310413.db2.gz XPHLTALORMGQRE-UHFFFAOYSA-N 1 0 289.335 3.302 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCCO1 ZINC000879406785 635779563 /nfs/dbraw/zinc/77/95/63/635779563.db2.gz RONZWXPZUURQST-CQSZACIVSA-N 1 0 296.342 3.171 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C(C)(C)C ZINC000846214354 636160538 /nfs/dbraw/zinc/16/05/38/636160538.db2.gz QZXBREGYQIEXAF-VHSXEESVSA-N 1 0 265.357 3.262 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881741689 636195431 /nfs/dbraw/zinc/19/54/31/636195431.db2.gz PQHGEZHEJLLNKR-NSHDSACASA-N 1 0 298.362 3.051 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc[nH]1 ZINC000848536866 636594620 /nfs/dbraw/zinc/59/46/20/636594620.db2.gz VYUNXAUWGCBTHY-YGRLFVJLSA-N 1 0 271.320 3.261 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C=CCC1)C1CC1 ZINC000850506439 637094158 /nfs/dbraw/zinc/09/41/58/637094158.db2.gz AWTJWBPHKVHBMZ-HUUCEWRRSA-N 1 0 272.348 3.224 20 5 CGBDRO Cc1ccccc1[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885977900 637340209 /nfs/dbraw/zinc/34/02/09/637340209.db2.gz NXZRRPKIUBDGDS-CQSZACIVSA-N 1 0 297.358 3.288 20 5 CGBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989031 637344485 /nfs/dbraw/zinc/34/44/85/637344485.db2.gz UWBTVPWYJAHGPT-RYUDHWBXSA-N 1 0 277.368 3.389 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886109566 637418721 /nfs/dbraw/zinc/41/87/21/637418721.db2.gz NWKWFWYMIOPAKO-XZJROXQQSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H]1CCC[C@H](C)C1 ZINC000886239117 637467483 /nfs/dbraw/zinc/46/74/83/637467483.db2.gz PRIQBDKVECPQKP-AVGNSLFASA-N 1 0 277.368 3.294 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000886271061 637476494 /nfs/dbraw/zinc/47/64/94/637476494.db2.gz WMJSNHVMCLBRCD-JTQLQIEISA-N 1 0 299.321 3.293 20 5 CGBDRO CC1(C)CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000112695175 638109027 /nfs/dbraw/zinc/10/90/27/638109027.db2.gz BDACFMLRAJCWOJ-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO CC(C)([NH3+])CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000925737774 638590524 /nfs/dbraw/zinc/59/05/24/638590524.db2.gz KZZZKPFMVPZCAU-CQSZACIVSA-N 1 0 291.395 3.034 20 5 CGBDRO COC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000927096882 638841286 /nfs/dbraw/zinc/84/12/86/638841286.db2.gz JJZPFYLWHBPXBU-JSGCOSHPSA-N 1 0 280.368 3.164 20 5 CGBDRO CCC(CC)[C@H]([NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000930214051 638982851 /nfs/dbraw/zinc/98/28/51/638982851.db2.gz VNZBVTAIADYCHU-LBPRGKRZSA-N 1 0 256.371 3.092 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000932183437 639289759 /nfs/dbraw/zinc/28/97/59/639289759.db2.gz SAWDGBVZZWMGDN-PSASIEDQSA-N 1 0 289.162 3.439 20 5 CGBDRO CCCCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000934209853 639560263 /nfs/dbraw/zinc/56/02/63/639560263.db2.gz UIHPIPNUXGPCCI-UHFFFAOYSA-N 1 0 254.355 3.469 20 5 CGBDRO Cc1ccc(C[N@H+]2CCCSC[C@H]2C)cc1[N+](=O)[O-] ZINC000934296533 639573811 /nfs/dbraw/zinc/57/38/11/639573811.db2.gz JPIRZVBMNQBIPQ-GFCCVEGCSA-N 1 0 280.393 3.231 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000252685746 640857902 /nfs/dbraw/zinc/85/79/02/640857902.db2.gz IPGJZGIWUXEAPA-HLSYRSCKSA-N 1 0 292.379 3.043 20 5 CGBDRO CC(C)[NH+]1CC(Nc2ccc3ccc4cccnc4c3n2)C1 ZINC001157526270 805827486 /nfs/dbraw/zinc/82/74/86/805827486.db2.gz ODPYGWDJIWIELO-UHFFFAOYSA-N 1 0 292.386 3.288 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(NCC[C@H]3CCC[NH2+]3)nc12 ZINC001158629026 805979873 /nfs/dbraw/zinc/97/98/73/805979873.db2.gz SNXNPHYYNCGOHB-OAHLLOKOSA-N 1 0 292.386 3.337 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC001159616342 806134550 /nfs/dbraw/zinc/13/45/50/806134550.db2.gz XKLCOADJLXTRNZ-UHFFFAOYSA-N 1 0 283.331 3.293 20 5 CGBDRO Cc1ccc(Nc2ccccc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001159997185 806209660 /nfs/dbraw/zinc/20/96/60/806209660.db2.gz AXIVPYZDKFKBGJ-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO CC[C@H]1C[C@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373773 806387656 /nfs/dbraw/zinc/38/76/56/806387656.db2.gz HJFXCVHDRHSIQB-WBMJQRKESA-N 1 0 290.363 3.116 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc(N)cc1 ZINC001254539262 806446107 /nfs/dbraw/zinc/44/61/07/806446107.db2.gz CIQCACFTGSVSKT-CHWSQXEVSA-N 1 0 299.374 3.459 20 5 CGBDRO CCC[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540156 806446178 /nfs/dbraw/zinc/44/61/78/806446178.db2.gz PFUFGLSWSHLUKZ-NWDGAFQWSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccncc1 ZINC001254552075 806449571 /nfs/dbraw/zinc/44/95/71/806449571.db2.gz JBGMQTDXVSKQQX-CYBMUJFWSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001254560709 806451647 /nfs/dbraw/zinc/45/16/47/806451647.db2.gz WRULJSPMEQREJU-BXUZGUMPSA-N 1 0 296.317 3.257 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001254560711 806451871 /nfs/dbraw/zinc/45/18/71/806451871.db2.gz WRULJSPMEQREJU-RISCZKNCSA-N 1 0 296.317 3.257 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCc3ccccc31)C2 ZINC001254571745 806453106 /nfs/dbraw/zinc/45/31/06/806453106.db2.gz BBQRKZQHZMHIEG-QAPCUYQASA-N 1 0 294.354 3.339 20 5 CGBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575364 806454213 /nfs/dbraw/zinc/45/42/13/806454213.db2.gz QALBTCDPEKMBSL-ZOWXZIJZSA-N 1 0 276.380 3.476 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584205 806455798 /nfs/dbraw/zinc/45/57/98/806455798.db2.gz GBJQDXCAKRAFLZ-GLQYFDAESA-N 1 0 274.364 3.230 20 5 CGBDRO CC1(C)CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587086 806455838 /nfs/dbraw/zinc/45/58/38/806455838.db2.gz VCBUXMBDICOPLH-UONOGXRCSA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC13CCCCC3)C2 ZINC001254580625 806456168 /nfs/dbraw/zinc/45/61/68/806456168.db2.gz HJQXFJRTEPMKJK-ZBFHGGJFSA-N 1 0 286.375 3.374 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC001254596832 806457369 /nfs/dbraw/zinc/45/73/69/806457369.db2.gz GCTGDRZGBQVFKT-GDBMZVCRSA-N 1 0 286.375 3.374 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601371 806458879 /nfs/dbraw/zinc/45/88/79/806458879.db2.gz YTWPFAZDVIDYGZ-WBMJQRKESA-N 1 0 274.364 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1Cc3ccccc3C1)C2 ZINC001254599250 806458924 /nfs/dbraw/zinc/45/89/24/806458924.db2.gz MPYKPDJGGMSIPD-QGZVFWFLSA-N 1 0 280.327 3.078 20 5 CGBDRO C[N@H+](CC1CC(F)(F)C1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602716 806459086 /nfs/dbraw/zinc/45/90/86/806459086.db2.gz IRNNMYULQNYFMA-AWEZNQCLSA-N 1 0 296.317 3.039 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC(=[NH2+])C(C)(C)C ZINC001162665281 806643397 /nfs/dbraw/zinc/64/33/97/806643397.db2.gz BSJCMTBYCJQXPB-UHFFFAOYSA-N 1 0 253.277 3.478 20 5 CGBDRO Cc1c(C[NH2+]CCc2cccc(F)c2)cccc1[N+](=O)[O-] ZINC000036779567 798850491 /nfs/dbraw/zinc/85/04/91/798850491.db2.gz VZNVOWARVFJOGO-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000037177028 798862317 /nfs/dbraw/zinc/86/23/17/798862317.db2.gz HTYNCIQTTRWKDW-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1ccc([N+](=O)[O-])c(F)c1)CCCC2 ZINC000160705947 799077318 /nfs/dbraw/zinc/07/73/18/799077318.db2.gz LSLXHRKGQCTTFG-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000689704518 799767086 /nfs/dbraw/zinc/76/70/86/799767086.db2.gz LCDZOWFRNSQOHS-NSHDSACASA-N 1 0 290.697 3.383 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000692786048 799798807 /nfs/dbraw/zinc/79/88/07/799798807.db2.gz KQOSAHCXXFTGQO-LBPRGKRZSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2SCCS2)cc1[N+](=O)[O-] ZINC000692805129 799799017 /nfs/dbraw/zinc/79/90/17/799799017.db2.gz CJHRAVPEEJENMK-SNVBAGLBSA-N 1 0 298.433 3.360 20 5 CGBDRO C[C@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000692855617 799801425 /nfs/dbraw/zinc/80/14/25/799801425.db2.gz ZXQOLNNEOXUTTG-VIFPVBQESA-N 1 0 284.406 3.052 20 5 CGBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000693107388 799807715 /nfs/dbraw/zinc/80/77/15/799807715.db2.gz HNLULWVUTIEFKU-NSHDSACASA-N 1 0 298.770 3.153 20 5 CGBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000693107386 799807901 /nfs/dbraw/zinc/80/79/01/799807901.db2.gz HNLULWVUTIEFKU-LLVKDONJSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C=CCC2)c(Cl)c1 ZINC000698283313 799854712 /nfs/dbraw/zinc/85/47/12/799854712.db2.gz HRQSIHMQBIHGNO-JTQLQIEISA-N 1 0 252.701 3.056 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000699001003 799857378 /nfs/dbraw/zinc/85/73/78/799857378.db2.gz NAVGLUSDBVXMBJ-GWCFXTLKSA-N 1 0 280.755 3.384 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701023461 799882936 /nfs/dbraw/zinc/88/29/36/799882936.db2.gz CTGMERLLDJEAHU-LFNDISMMSA-N 1 0 298.770 3.150 20 5 CGBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701952935 799900036 /nfs/dbraw/zinc/90/00/36/799900036.db2.gz XVISNHCRTNVPML-NEPJUHHUSA-N 1 0 286.784 3.232 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cs1 ZINC000717001022 800188636 /nfs/dbraw/zinc/18/86/36/800188636.db2.gz NWZSXTBGJZBNOH-SRVKXCTJSA-N 1 0 266.366 3.182 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000829426073 800485263 /nfs/dbraw/zinc/48/52/63/800485263.db2.gz DQQAZVQDWDVJJY-BYCMXARLSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886830122 800546904 /nfs/dbraw/zinc/54/69/04/800546904.db2.gz MIWIMYMCCXRDHN-IOASZLSFSA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001116032783 802293890 /nfs/dbraw/zinc/29/38/90/802293890.db2.gz QFXHSKVWODBPHN-DZGCQCFKSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NCC[C@H]2CCC[N@@H+](C)C2)c1F ZINC001165290194 806988871 /nfs/dbraw/zinc/98/88/71/806988871.db2.gz QAWSFELLPHACKQ-GFCCVEGCSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168602453 807454242 /nfs/dbraw/zinc/45/42/42/807454242.db2.gz NNLXXCJGTWLFNS-ZFWWWQNUSA-N 1 0 295.358 3.327 20 5 CGBDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168966662 807542412 /nfs/dbraw/zinc/54/24/12/807542412.db2.gz KRKMENCVLBEGCV-HUUCEWRRSA-N 1 0 292.379 3.010 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001168967385 807542997 /nfs/dbraw/zinc/54/29/97/807542997.db2.gz PLJLXZWFOPCFDY-UKRRQHHQSA-N 1 0 296.798 3.308 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168967581 807543855 /nfs/dbraw/zinc/54/38/55/807543855.db2.gz QZZQKSRUZPPQGX-CABCVRRESA-N 1 0 276.380 3.147 20 5 CGBDRO CC(C)(Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968177 807544036 /nfs/dbraw/zinc/54/40/36/807544036.db2.gz XGMKVHQZYXCOAS-DZGCQCFKSA-N 1 0 294.370 3.182 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC001168976334 807545118 /nfs/dbraw/zinc/54/51/18/807545118.db2.gz CUVAPZSZMXITBT-WDBKCZKBSA-N 1 0 294.782 3.362 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168976756 807545272 /nfs/dbraw/zinc/54/52/72/807545272.db2.gz GBXILRIKHFLADC-ISTVAULSSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001168977048 807545290 /nfs/dbraw/zinc/54/52/90/807545290.db2.gz HFWNHOGTIYYCRB-YVLXSGLVSA-N 1 0 294.782 3.362 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168978797 807545796 /nfs/dbraw/zinc/54/57/96/807545796.db2.gz UIBRFEHUQMEBES-IATRGZMQSA-N 1 0 274.364 3.270 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC001168979734 807545891 /nfs/dbraw/zinc/54/58/91/807545891.db2.gz ZRZXOKZOSQHMAZ-QAPCUYQASA-N 1 0 298.386 3.417 20 5 CGBDRO CC(C)(Cc1ccccc1F)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980377 807546078 /nfs/dbraw/zinc/54/60/78/807546078.db2.gz DAWNDNMBCZJXGN-OCCSQVGLSA-N 1 0 294.370 3.182 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987275 807547063 /nfs/dbraw/zinc/54/70/63/807547063.db2.gz HXBNOFDGBLDZSH-DYEKYZERSA-N 1 0 280.343 3.230 20 5 CGBDRO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987572 807547868 /nfs/dbraw/zinc/54/78/68/807547868.db2.gz JPJVYRJAOOMWKJ-BPLDGKMQSA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3c(F)cccc32)C1 ZINC001168990828 807548104 /nfs/dbraw/zinc/54/81/04/807548104.db2.gz DTWLKLISDNAFIG-WQGACYEGSA-N 1 0 292.354 3.238 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001168988288 807548193 /nfs/dbraw/zinc/54/81/93/807548193.db2.gz QJZVGKXYMIIRHN-GARJFASQSA-N 1 0 284.306 3.061 20 5 CGBDRO Cc1cccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168995185 807548851 /nfs/dbraw/zinc/54/88/51/807548851.db2.gz RXCVJIOCKQGVKC-DZGCQCFKSA-N 1 0 276.380 3.265 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168992840 807548985 /nfs/dbraw/zinc/54/89/85/807548985.db2.gz LDNGNFUGAFJAHE-NEPJUHHUSA-N 1 0 280.343 3.096 20 5 CGBDRO Cc1ccccc1C(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998223 807549262 /nfs/dbraw/zinc/54/92/62/807549262.db2.gz KDRJVHMMROSKBX-KBPBESRZSA-N 1 0 276.380 3.265 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC001168996098 807549424 /nfs/dbraw/zinc/54/94/24/807549424.db2.gz VBXXRPFOQMCDFF-CVEARBPZSA-N 1 0 288.391 3.044 20 5 CGBDRO CC(C)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CC(F)(F)F ZINC001169000721 807549454 /nfs/dbraw/zinc/54/94/54/807549454.db2.gz APGDIHLPBXXFGS-UWVGGRQHSA-N 1 0 282.306 3.000 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001169039040 807556941 /nfs/dbraw/zinc/55/69/41/807556941.db2.gz MTSWSTPWLSOXCC-BMFZPTHFSA-N 1 0 280.412 3.334 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](C3CCCCC3)C2)C1 ZINC001169039041 807557173 /nfs/dbraw/zinc/55/71/73/807557173.db2.gz MTSWSTPWLSOXCC-FVQBIDKESA-N 1 0 280.412 3.334 20 5 CGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC001169285470 807623470 /nfs/dbraw/zinc/62/34/70/807623470.db2.gz WIUVABYCHIBBIH-OCCSQVGLSA-N 1 0 294.399 3.000 20 5 CGBDRO CCCCC[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298129 807820099 /nfs/dbraw/zinc/82/00/99/807820099.db2.gz FXZMSVQLHNWJQP-GFCCVEGCSA-N 1 0 280.368 3.314 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(F)CCC2)c([N+](=O)[O-])c1 ZINC001170321333 807825635 /nfs/dbraw/zinc/82/56/35/807825635.db2.gz AFVLCXBSSKNLOL-LLVKDONJSA-N 1 0 296.342 3.016 20 5 CGBDRO CCC1([NH2+][C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170323475 807826553 /nfs/dbraw/zinc/82/65/53/807826553.db2.gz LHASKWXDFSWVMZ-LBPRGKRZSA-N 1 0 292.379 3.457 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344401 807828215 /nfs/dbraw/zinc/82/82/15/807828215.db2.gz BTKQFROSSIKTSR-JSGCOSHPSA-N 1 0 292.379 3.409 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344400 807828730 /nfs/dbraw/zinc/82/87/30/807828730.db2.gz BTKQFROSSIKTSR-GXTWGEPZSA-N 1 0 292.379 3.409 20 5 CGBDRO CC(C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898332 808476515 /nfs/dbraw/zinc/47/65/15/808476515.db2.gz KYNRCAVQEUTXOT-CQSZACIVSA-N 1 0 262.353 3.088 20 5 CGBDRO CC[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180907 808533088 /nfs/dbraw/zinc/53/30/88/808533088.db2.gz ZFOFOKRQSUIONF-ZJUUUORDSA-N 1 0 284.331 3.062 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173211330 808537068 /nfs/dbraw/zinc/53/70/68/808537068.db2.gz RLLXYHKYWBRODY-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(F)(F)F ZINC001173216947 808538479 /nfs/dbraw/zinc/53/84/79/808538479.db2.gz OACXJVLEXXQUBB-SECBINFHSA-N 1 0 276.258 3.068 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173217490 808539009 /nfs/dbraw/zinc/53/90/09/808539009.db2.gz VNVCLQDNHJBCEJ-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C=CCCC1 ZINC001173222908 808539626 /nfs/dbraw/zinc/53/96/26/808539626.db2.gz FZFFSRGMKZLJGW-TZMCWYRMSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC2(CC2)CC1 ZINC001173221421 808539927 /nfs/dbraw/zinc/53/99/27/808539927.db2.gz IFMHENGHAPFULK-CYBMUJFWSA-N 1 0 274.364 3.402 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222767 808540023 /nfs/dbraw/zinc/54/00/23/808540023.db2.gz VMLAFGQCNNBQSI-NEPJUHHUSA-N 1 0 250.342 3.256 20 5 CGBDRO Cc1cccc(C(=[NH2+])N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220359 808540547 /nfs/dbraw/zinc/54/05/47/808540547.db2.gz YXJKXBQNKALZFW-CYBMUJFWSA-N 1 0 297.358 3.449 20 5 CGBDRO CCOC1CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225532 808540965 /nfs/dbraw/zinc/54/09/65/808540965.db2.gz DMRWZFQGZZIBKN-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228407 808541228 /nfs/dbraw/zinc/54/12/28/808541228.db2.gz WFQOFCXTNRPPDV-OCCSQVGLSA-N 1 0 262.353 3.400 20 5 CGBDRO CC[N@H+](Cc1cccnc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227065 808541620 /nfs/dbraw/zinc/54/16/20/808541620.db2.gz NIAHMIBFSGJXMV-AWEZNQCLSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@H](C)[C@H](F)C1 ZINC001173228996 808542860 /nfs/dbraw/zinc/54/28/60/808542860.db2.gz PNGVOIAGDLUHKT-TYNCELHUSA-N 1 0 280.343 3.206 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccccn1 ZINC001173233162 808543015 /nfs/dbraw/zinc/54/30/15/808543015.db2.gz HEQOCNMLWZSTHU-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001173233236 808543156 /nfs/dbraw/zinc/54/31/56/808543156.db2.gz UYWWPVIWZBKVSX-KYOSRNDESA-N 1 0 260.337 3.010 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC1(C)C ZINC001173230424 808543206 /nfs/dbraw/zinc/54/32/06/808543206.db2.gz YDGFLSIATWWYSB-GFCCVEGCSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COc2ccccc21 ZINC001173236130 808544732 /nfs/dbraw/zinc/54/47/32/808544732.db2.gz XDRCDBFIUWKQHQ-WBMJQRKESA-N 1 0 298.342 3.249 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001176777284 809761083 /nfs/dbraw/zinc/76/10/83/809761083.db2.gz JHPCFBZELAIHMK-AWEZNQCLSA-N 1 0 262.353 3.402 20 5 CGBDRO CC1(C)CC[C@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)OC1 ZINC001179685239 809937327 /nfs/dbraw/zinc/93/73/27/809937327.db2.gz HWXCKIANXZPSBZ-OAHLLOKOSA-N 1 0 292.379 3.280 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC(C)(C)C ZINC001195499332 811263151 /nfs/dbraw/zinc/26/31/51/811263151.db2.gz URLXAGOYXWYCOR-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO Cc1cc(Br)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225756733 817169544 /nfs/dbraw/zinc/16/95/44/817169544.db2.gz MKPAWRVTUISUDC-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO Cc1coc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])c1 ZINC001201694308 811939239 /nfs/dbraw/zinc/93/92/39/811939239.db2.gz SYNASOUULIJNIO-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO Nc1ccc2cc3ccc(NC4=CCOC4)cc3[nH+]c2c1 ZINC001203390514 812339333 /nfs/dbraw/zinc/33/93/33/812339333.db2.gz FCGKJKVGEWPOEY-UHFFFAOYSA-N 1 0 277.327 3.296 20 5 CGBDRO CN(Cc1ccc(O)c(F)c1)Cc1ccccc1[N+](=O)[O-] ZINC001204472815 812651050 /nfs/dbraw/zinc/65/10/50/812651050.db2.gz ZUYNQYBZWRJOSN-UHFFFAOYSA-N 1 0 290.294 3.072 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCCCCOCc1ccccc1 ZINC001209857819 814171655 /nfs/dbraw/zinc/17/16/55/814171655.db2.gz INMPPUNVNWNBRF-INIZCTEOSA-N 1 0 280.432 3.095 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2COC1C[NH2+]C1 ZINC001217792496 815964941 /nfs/dbraw/zinc/96/49/41/815964941.db2.gz WORJKVXXLWDSKJ-UHFFFAOYSA-N 1 0 263.340 3.481 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001217952913 816015165 /nfs/dbraw/zinc/01/51/65/816015165.db2.gz HNZMKWHBKBOWJW-LJGSYFOKSA-N 1 0 291.134 3.031 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001217956330 816017265 /nfs/dbraw/zinc/01/72/65/816017265.db2.gz ONVGPLDQSGUXDG-KNVOCYPGSA-N 1 0 291.134 3.031 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC1CC[NH2+]CC1 ZINC001217964007 816019398 /nfs/dbraw/zinc/01/93/98/816019398.db2.gz GLNULXPUBJZLAF-UHFFFAOYSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001217967163 816021383 /nfs/dbraw/zinc/02/13/83/816021383.db2.gz CHFZCSZUKVSBDV-PXAZEXFGSA-N 1 0 278.355 3.375 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001217989561 816037354 /nfs/dbraw/zinc/03/73/54/816037354.db2.gz MWLCZFKRBVMLFY-RNCFNFMXSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001217996856 816042474 /nfs/dbraw/zinc/04/24/74/816042474.db2.gz WHFSUKYMHYQPEZ-FZMZJTMJSA-N 1 0 292.379 3.287 20 5 CGBDRO Cc1cc(O[C@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1Cl ZINC001218006921 816049868 /nfs/dbraw/zinc/04/98/68/816049868.db2.gz UFTCYYNKJNGQLF-SNVBAGLBSA-N 1 0 298.770 3.324 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC23CC[NH2+]CC3)cc1Cl ZINC001218083517 816089601 /nfs/dbraw/zinc/08/96/01/816089601.db2.gz QQWCNTSYBAOGDQ-ZDUSSCGKSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218085724 816090667 /nfs/dbraw/zinc/09/06/67/816090667.db2.gz VHRJJUJKHDSRNY-OAHLLOKOSA-N 1 0 290.363 3.123 20 5 CGBDRO c1ccc2c(c1)nc(O[C@H]1[C@@H]3C[C@H]1C[NH2+]C3)c1ccccc21 ZINC001218145282 816113751 /nfs/dbraw/zinc/11/37/51/816113751.db2.gz AOPXNYLLBOXWEO-MCBXIFIFSA-N 1 0 290.366 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC001218183350 816118475 /nfs/dbraw/zinc/11/84/75/816118475.db2.gz AKYVZBOJWHJCIY-ITGUQSILSA-N 1 0 298.342 3.410 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(C)c(C)c([N+](=O)[O-])c2)CC1 ZINC001218189509 816120869 /nfs/dbraw/zinc/12/08/69/816120869.db2.gz YBRGATMKEZPAGV-JOCQHMNTSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H]1CC[C@@H](Oc2ccnc3c2ccc2cccnc23)C[NH2+]1 ZINC001218405885 816198681 /nfs/dbraw/zinc/19/86/81/816198681.db2.gz HMENUEIQSCIIPH-GXTWGEPZSA-N 1 0 293.370 3.302 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1csc(-c2ccccc2)n1 ZINC001222886539 816528432 /nfs/dbraw/zinc/52/84/32/816528432.db2.gz IZBVWUSDSGGIHA-CYBMUJFWSA-N 1 0 291.440 3.421 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccccc1 ZINC001223306383 816601988 /nfs/dbraw/zinc/60/19/88/816601988.db2.gz SLSLYWAGKVXIMW-LLVKDONJSA-N 1 0 277.215 3.386 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1c(F)c(F)c(F)c(F)c1F ZINC001224772189 816877944 /nfs/dbraw/zinc/87/79/44/816877944.db2.gz WQUITTSILUUGLU-SSDOTTSWSA-N 1 0 298.275 3.166 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2F)CC1 ZINC001226270113 817316236 /nfs/dbraw/zinc/31/62/36/817316236.db2.gz NFCOAWJWGLPXKL-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC001226509827 817379630 /nfs/dbraw/zinc/37/96/30/817379630.db2.gz VPHSMOAQNXQUOZ-QGZVFWFLSA-N 1 0 298.342 3.221 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226811393 817472145 /nfs/dbraw/zinc/47/21/45/817472145.db2.gz YDTDXHNDDQLXQR-UMSPYCQHSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001226997679 817530557 /nfs/dbraw/zinc/53/05/57/817530557.db2.gz YWJFEZSFYYOEGD-MQMHXKEQSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001227214368 817594508 /nfs/dbraw/zinc/59/45/08/817594508.db2.gz KUHYPSQLAHEUFK-GFCCVEGCSA-N 1 0 289.355 3.222 20 5 CGBDRO CC(=O)c1cccc(Cl)c1O[C@@H](C)C[N+](C)(C)C ZINC001227305715 817622647 /nfs/dbraw/zinc/62/26/47/817622647.db2.gz MNSBXPUZEUYSNF-JTQLQIEISA-N 1 0 270.780 3.016 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2ccccc2[N+](=O)[O-])CC1 ZINC001227484548 817659377 /nfs/dbraw/zinc/65/93/77/817659377.db2.gz RAJSYGWSNTUDNN-UHFFFAOYSA-N 1 0 278.352 3.237 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc(C)c1Cl ZINC001227844215 817731919 /nfs/dbraw/zinc/73/19/19/817731919.db2.gz CVQANCWZMBZEDC-GFCCVEGCSA-N 1 0 256.797 3.430 20 5 CGBDRO COc1ccc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2c1 ZINC001227857924 817737168 /nfs/dbraw/zinc/73/71/68/817737168.db2.gz WAPRKKJIENPXCO-ZDUSSCGKSA-N 1 0 274.384 3.322 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256638 817852017 /nfs/dbraw/zinc/85/20/17/817852017.db2.gz YXOQCIFMKSZMPX-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1N1CCCCC1 ZINC001228540515 817933151 /nfs/dbraw/zinc/93/31/51/817933151.db2.gz KDXRTPYJTISWKG-OAHLLOKOSA-N 1 0 277.432 3.150 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001228570371 817940051 /nfs/dbraw/zinc/94/00/51/817940051.db2.gz CFGMKUANBDQPNX-NHAGDIPZSA-N 1 0 290.363 3.216 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(ccnc2Cl)c1 ZINC001234046152 818766065 /nfs/dbraw/zinc/76/60/65/818766065.db2.gz MARRLYCSJKLVHL-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CSc1cccc(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234253943 818817570 /nfs/dbraw/zinc/81/75/70/818817570.db2.gz ONKQLFHUILDBHE-SNVBAGLBSA-N 1 0 258.382 3.021 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H]1CCc2cc(Cl)ccc21 ZINC001224620691 927438457 /nfs/dbraw/zinc/43/84/57/927438457.db2.gz AEGDDWHHOKBMKM-OAHLLOKOSA-N 1 0 268.808 3.440 20 5 CGBDRO CC[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001459982444 928729873 /nfs/dbraw/zinc/72/98/73/928729873.db2.gz GXDOTFSDOIFWRM-OCCSQVGLSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1ccc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001458125604 937452183 /nfs/dbraw/zinc/45/21/83/937452183.db2.gz FDIUELLTGNHPHH-KBPBESRZSA-N 1 0 291.395 3.436 20 5 CGBDRO CCC[C@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001459572722 937492266 /nfs/dbraw/zinc/49/22/66/937492266.db2.gz MNMJTCNRVGDFTG-OAHLLOKOSA-N 1 0 294.399 3.002 20 5 CGBDRO C[NH+](C)C1CCC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229117215 932099218 /nfs/dbraw/zinc/09/92/18/932099218.db2.gz ZPRZHUUKOGLDAY-VAWYXSNFSA-N 1 0 290.363 3.186 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001229197113 932115062 /nfs/dbraw/zinc/11/50/62/932115062.db2.gz BKESWVJSLUVDMZ-UHFFFAOYSA-N 1 0 296.342 3.294 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C)c([N+](=O)[O-])c(C)c1 ZINC001229466218 932156254 /nfs/dbraw/zinc/15/62/54/932156254.db2.gz KKXUDHDLUAUTJP-ZDUSSCGKSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1nccc2c3ccc(O[C@H](C)C[N+](C)(C)C)cc3[nH]c21 ZINC001229975838 932514908 /nfs/dbraw/zinc/51/49/08/932514908.db2.gz LIJDIEQUVXELMI-GFCCVEGCSA-N 1 0 298.410 3.498 20 5 CGBDRO CC(C)Cc1cc(O)ccc1O[C@H](C)C[N+](C)(C)C ZINC001230209443 932540551 /nfs/dbraw/zinc/54/05/51/932540551.db2.gz XWZLRIDHVPQCSV-CYBMUJFWSA-O 1 0 266.405 3.064 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)c2cc(F)cc(F)c2n1 ZINC001230222261 932542771 /nfs/dbraw/zinc/54/27/71/932542771.db2.gz FPUWSRLJUTYYJO-NSHDSACASA-N 1 0 295.353 3.295 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O)c2ccccc12 ZINC001230461403 932574912 /nfs/dbraw/zinc/57/49/12/932574912.db2.gz WYPFCJJSYRWWFF-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCCC2(C)C)c1 ZINC001307140568 932919209 /nfs/dbraw/zinc/91/92/09/932919209.db2.gz OBVJSQGFMAZCKN-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO CC(C)[C@@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001472650837 937779173 /nfs/dbraw/zinc/77/91/73/937779173.db2.gz OFOIEZUOEHXIOT-GFCCVEGCSA-N 1 0 283.397 3.189 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C\C1CC1 ZINC001331973657 935428790 /nfs/dbraw/zinc/42/87/90/935428790.db2.gz QPHLIJSJMNQUGO-QUCGXOGASA-N 1 0 278.327 3.221 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC001335950175 936168558 /nfs/dbraw/zinc/16/85/58/936168558.db2.gz QDUDEDWETFELAL-STQMWFEESA-N 1 0 266.316 3.274 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H](F)C2)cc1 ZINC001336757455 936214523 /nfs/dbraw/zinc/21/45/23/936214523.db2.gz HIRPVKCRNOLXQE-STQMWFEESA-N 1 0 266.316 3.008 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccccc1[N+](=O)[O-] ZINC001517933865 938013213 /nfs/dbraw/zinc/01/32/13/938013213.db2.gz AHNGCFHIYMLLOZ-LBPRGKRZSA-N 1 0 265.357 3.127 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC=C(C)C1 ZINC001560790994 938275837 /nfs/dbraw/zinc/27/58/37/938275837.db2.gz XPBXOFSDXJEZCJ-UHFFFAOYSA-N 1 0 260.337 3.364 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000337999273 214353935 /nfs/dbraw/zinc/35/39/35/214353935.db2.gz OPWOISBAJRWZSF-KBPBESRZSA-N 1 0 260.337 3.263 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)s1 ZINC000590729915 346870047 /nfs/dbraw/zinc/87/00/47/346870047.db2.gz PQWFKYRVMBAZOZ-UHFFFAOYSA-N 1 0 281.381 3.085 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1 ZINC000591061916 346897288 /nfs/dbraw/zinc/89/72/88/346897288.db2.gz NWTMLZYRYBQOML-CQSZACIVSA-N 1 0 260.337 3.217 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000591063442 346897961 /nfs/dbraw/zinc/89/79/61/346897961.db2.gz ZZFHIINHLKLSTG-CQSZACIVSA-N 1 0 290.363 3.225 20 5 CGBDRO CCC[C@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578101 346929788 /nfs/dbraw/zinc/92/97/88/346929788.db2.gz YYRKGQBVSISUNS-HOCLYGCPSA-N 1 0 291.395 3.168 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592134142 346965681 /nfs/dbraw/zinc/96/56/81/346965681.db2.gz PXBFRNSMQLARAG-CHWSQXEVSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)CC(F)F ZINC000592372590 346979600 /nfs/dbraw/zinc/97/96/00/346979600.db2.gz AJDIUIBQNSMBCX-SECBINFHSA-N 1 0 272.295 3.284 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000592395429 346983058 /nfs/dbraw/zinc/98/30/58/346983058.db2.gz BGLFYHWLIKWKEO-OUCADQQQSA-N 1 0 280.368 3.043 20 5 CGBDRO COc1cc(-c2cccc(C[NH+](C)C)c2)cc([N+](=O)[O-])c1 ZINC000592986715 347023925 /nfs/dbraw/zinc/02/39/25/347023925.db2.gz IMDPOHCSLJEUMB-UHFFFAOYSA-N 1 0 286.331 3.332 20 5 CGBDRO Cc1c(C[NH2+]C2(C3CCC3)CC2)cccc1[N+](=O)[O-] ZINC000593081022 347036901 /nfs/dbraw/zinc/03/69/01/347036901.db2.gz PTVDXCXTICOEJA-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000063618943 345250183 /nfs/dbraw/zinc/25/01/83/345250183.db2.gz YLMBZLLBNHJJLN-NSHDSACASA-N 1 0 254.355 3.277 20 5 CGBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])cc1 ZINC000071766573 345404850 /nfs/dbraw/zinc/40/48/50/345404850.db2.gz LGVTYLZLNRCSMQ-UHFFFAOYSA-N 1 0 254.355 3.029 20 5 CGBDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287803 345465137 /nfs/dbraw/zinc/46/51/37/345465137.db2.gz OJFRROQOVJAWAW-HOTGVXAUSA-N 1 0 292.379 3.029 20 5 CGBDRO CC(C)[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000079196654 345633617 /nfs/dbraw/zinc/63/36/17/345633617.db2.gz UXLVGUJOWWASJL-UHFFFAOYSA-N 1 0 278.352 3.237 20 5 CGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000080652683 345681497 /nfs/dbraw/zinc/68/14/97/345681497.db2.gz UWDYTPWOMMYDIE-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000080652676 345681600 /nfs/dbraw/zinc/68/16/00/345681600.db2.gz XBBNQXOKDZXDMW-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC000083172541 345724415 /nfs/dbraw/zinc/72/44/15/345724415.db2.gz YJHWDKBDXNKJGE-SECBINFHSA-N 1 0 277.324 3.260 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083484019 345726500 /nfs/dbraw/zinc/72/65/00/345726500.db2.gz XBZOXCSJXBFISE-GXFFZTMASA-N 1 0 266.316 3.402 20 5 CGBDRO COc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000088458160 345760892 /nfs/dbraw/zinc/76/08/92/345760892.db2.gz JGBALYDABKSWDE-UHFFFAOYSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000090084769 345780804 /nfs/dbraw/zinc/78/08/04/345780804.db2.gz CXNWSMAMHCCCBQ-OLZOCXBDSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000090846620 345795475 /nfs/dbraw/zinc/79/54/75/345795475.db2.gz QCSKNKNBBHHFGH-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ncc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000090910285 345797144 /nfs/dbraw/zinc/79/71/44/345797144.db2.gz VRIKXRJEGJJYDZ-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000102407298 345916137 /nfs/dbraw/zinc/91/61/37/345916137.db2.gz PXWHDAUESGXYGB-UHFFFAOYSA-N 1 0 290.319 3.089 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC2CC[NH2+]CC2)c2ccccc21 ZINC000113356176 345960133 /nfs/dbraw/zinc/96/01/33/345960133.db2.gz JUGYHBAHPOCPKO-UHFFFAOYSA-N 1 0 286.331 3.126 20 5 CGBDRO C[C@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000125480959 346017815 /nfs/dbraw/zinc/01/78/15/346017815.db2.gz WLHOKTHXDDNOEH-GFCCVEGCSA-N 1 0 264.369 3.409 20 5 CGBDRO C[C@@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000125493901 346017816 /nfs/dbraw/zinc/01/78/16/346017816.db2.gz TXFWGAWLUAFIIW-LBPRGKRZSA-N 1 0 264.369 3.409 20 5 CGBDRO C[C@@H](C[NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000125480742 346017829 /nfs/dbraw/zinc/01/78/29/346017829.db2.gz WLHOKTHXDDNOEH-LBPRGKRZSA-N 1 0 264.369 3.409 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000131952950 346069234 /nfs/dbraw/zinc/06/92/34/346069234.db2.gz BHSZPUQTKOAQER-GXTWGEPZSA-N 1 0 278.352 3.123 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000140538091 346104289 /nfs/dbraw/zinc/10/42/89/346104289.db2.gz DRVSRZAWIFBFBV-OAHLLOKOSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295130257 199361568 /nfs/dbraw/zinc/36/15/68/199361568.db2.gz ATTIETCBNGUTDC-SMDDNHRTSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295130254 199361857 /nfs/dbraw/zinc/36/18/57/199361857.db2.gz ATTIETCBNGUTDC-BXUZGUMPSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000300598337 346438422 /nfs/dbraw/zinc/43/84/22/346438422.db2.gz IIKPCBJISKBQAN-WHOFXGATSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000324093403 346490913 /nfs/dbraw/zinc/49/09/13/346490913.db2.gz HPVLTZDPZYWQMQ-HNNXBMFYSA-N 1 0 262.353 3.427 20 5 CGBDRO CCC1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000588959784 346778348 /nfs/dbraw/zinc/77/83/48/346778348.db2.gz OWHIHRPLTCWTDI-UHFFFAOYSA-N 1 0 287.363 3.397 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC000593695044 347104469 /nfs/dbraw/zinc/10/44/69/347104469.db2.gz GDBJCDPHBJJROZ-CYBMUJFWSA-N 1 0 282.290 3.134 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCC1 ZINC000594501228 347180020 /nfs/dbraw/zinc/18/00/20/347180020.db2.gz JHZLHYSGQDURNX-IINYFYTJSA-N 1 0 260.337 3.360 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000594996290 347252107 /nfs/dbraw/zinc/25/21/07/347252107.db2.gz AAOVIMZFXISDED-INIZCTEOSA-N 1 0 292.379 3.280 20 5 CGBDRO CC(C)c1ccc(CNCC2([NH3+])CCCC2)cc1[N+](=O)[O-] ZINC000594738814 347215753 /nfs/dbraw/zinc/21/57/53/347215753.db2.gz OEYUKTSCLRQJLA-UHFFFAOYSA-N 1 0 291.395 3.079 20 5 CGBDRO CC1(C)CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000595000019 347252719 /nfs/dbraw/zinc/25/27/19/347252719.db2.gz ZPBMROSAKVEWNC-ALCCZGGFSA-N 1 0 260.337 3.386 20 5 CGBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000594957865 347240679 /nfs/dbraw/zinc/24/06/79/347240679.db2.gz VVEAIJPYEZGEKF-HNNXBMFYSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291599 347287190 /nfs/dbraw/zinc/28/71/90/347287190.db2.gz KBKZDRZKMPWGRC-SNVBAGLBSA-N 1 0 252.289 3.108 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595386382 347297792 /nfs/dbraw/zinc/29/77/92/347297792.db2.gz DZFSNWZIQLXMGG-CYBMUJFWSA-N 1 0 298.383 3.451 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407620 347299352 /nfs/dbraw/zinc/29/93/52/347299352.db2.gz CLAUWRBXQJTKKR-GXFFZTMASA-N 1 0 266.316 3.497 20 5 CGBDRO CCC(CC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006927 347254948 /nfs/dbraw/zinc/25/49/48/347254948.db2.gz MWFGTNCLYKFJLI-JTQLQIEISA-N 1 0 266.341 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(F)(F)F ZINC000595013363 347257574 /nfs/dbraw/zinc/25/75/74/347257574.db2.gz HRSGIJADTXMXMV-MRVPVSSYSA-N 1 0 292.257 3.206 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC(C)C1 ZINC000595027504 347261629 /nfs/dbraw/zinc/26/16/29/347261629.db2.gz OTSBGEWXIHUMCW-YVNMAJEFSA-N 1 0 264.325 3.053 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C1CCC1 ZINC000595035941 347264750 /nfs/dbraw/zinc/26/47/50/347264750.db2.gz NSWOLYWZZOTLHS-MNOVXSKESA-N 1 0 278.352 3.443 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC(C)(C)C1 ZINC000595048734 347269201 /nfs/dbraw/zinc/26/92/01/347269201.db2.gz MANYTPZOTYDRQG-GXTWGEPZSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057521 347272625 /nfs/dbraw/zinc/27/26/25/347272625.db2.gz YRDDBPUYUFBJIL-OCCSQVGLSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000595075922 347278174 /nfs/dbraw/zinc/27/81/74/347278174.db2.gz BXLFVTSSFZBDCO-LALPHHSUSA-N 1 0 290.363 3.129 20 5 CGBDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096897 347283141 /nfs/dbraw/zinc/28/31/41/347283141.db2.gz NSMPVXNAFZXTSH-ZIAGYGMSSA-N 1 0 291.395 3.038 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295623391 199591571 /nfs/dbraw/zinc/59/15/71/199591571.db2.gz ZKCDLTBLEVMZRY-IUODEOHRSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000595707370 347343360 /nfs/dbraw/zinc/34/33/60/347343360.db2.gz MWQAQXBGXJPCLW-BLLLJJGKSA-N 1 0 282.343 3.413 20 5 CGBDRO Cc1noc(C[N@@H+]2CC[C@@H](CC(C)(C)C)C2)c1[N+](=O)[O-] ZINC000595521619 347315162 /nfs/dbraw/zinc/31/51/62/347315162.db2.gz FXRANAFBTOZGSM-NSHDSACASA-N 1 0 281.356 3.149 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000596296778 347412825 /nfs/dbraw/zinc/41/28/25/347412825.db2.gz BFJPRWOIQUUHEY-JGZJWPJOSA-N 1 0 299.321 3.285 20 5 CGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595911109 347371755 /nfs/dbraw/zinc/37/17/55/347371755.db2.gz MZSJWUVAULNKJM-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO Cc1ccc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309317 347414884 /nfs/dbraw/zinc/41/48/84/347414884.db2.gz YKKUTCFJPPDOIO-ZDUSSCGKSA-N 1 0 291.395 3.436 20 5 CGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000596430919 347455900 /nfs/dbraw/zinc/45/59/00/347455900.db2.gz MCLNTJSLRMDNIX-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO Cc1ncc(-c2cccc(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000596629204 347492851 /nfs/dbraw/zinc/49/28/51/347492851.db2.gz SGDSFIUOEKVNEU-UHFFFAOYSA-N 1 0 271.320 3.027 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000598996903 347704879 /nfs/dbraw/zinc/70/48/79/347704879.db2.gz RNYQGXKURJPIHW-ALTKIIGISA-N 1 0 290.363 3.155 20 5 CGBDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599070255 347713946 /nfs/dbraw/zinc/71/39/46/347713946.db2.gz YBYPQTDVPBPPNY-GXTWGEPZSA-N 1 0 280.368 3.043 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000599091844 347716472 /nfs/dbraw/zinc/71/64/72/347716472.db2.gz GOLLWFSJGYSNBA-WBIUFABUSA-N 1 0 290.363 3.084 20 5 CGBDRO C[C@@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1(F)F ZINC000599513275 347749059 /nfs/dbraw/zinc/74/90/59/347749059.db2.gz RQRPSZXOCIOAIZ-GHMZBOCLSA-N 1 0 284.306 3.318 20 5 CGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000599597335 347757503 /nfs/dbraw/zinc/75/75/03/347757503.db2.gz SMHSSLULGVFVLO-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@]23C[C@H]2CCCC3)cs1 ZINC000601149320 347874930 /nfs/dbraw/zinc/87/49/30/347874930.db2.gz LAGMYHGBFDOABV-ZYHUDNBSSA-N 1 0 252.339 3.079 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601286824 347888854 /nfs/dbraw/zinc/88/88/54/347888854.db2.gz BQNJBSHJBSHUHG-SNVBAGLBSA-N 1 0 254.305 3.302 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000601298469 347889928 /nfs/dbraw/zinc/88/99/28/347889928.db2.gz IPZLKSXSVYHHON-WVATUKLVSA-N 1 0 290.363 3.128 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575443 347986795 /nfs/dbraw/zinc/98/67/95/347986795.db2.gz HYLYNSDKZSELEL-SNVBAGLBSA-N 1 0 289.335 3.404 20 5 CGBDRO Cc1cccnc1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602673404 348005644 /nfs/dbraw/zinc/00/56/44/348005644.db2.gz AZRRBMQDHVEOEL-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO CCC[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000602671812 348005716 /nfs/dbraw/zinc/00/57/16/348005716.db2.gz JQKYCVUBWGLSPU-LBPRGKRZSA-N 1 0 280.368 3.235 20 5 CGBDRO CC(C)[N@H+](C)CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603871446 348100777 /nfs/dbraw/zinc/10/07/77/348100777.db2.gz JFHIFWHYGHKJMJ-UHFFFAOYSA-N 1 0 291.395 3.151 20 5 CGBDRO CC(C)[C@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012220 348106607 /nfs/dbraw/zinc/10/66/07/348106607.db2.gz NQNCJXXNFRXBAE-ZDUSSCGKSA-N 1 0 280.368 3.340 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2C2CC2)cc1 ZINC000609133639 348337145 /nfs/dbraw/zinc/33/71/45/348337145.db2.gz OMNDXKGZFGIAEJ-HNNXBMFYSA-N 1 0 260.337 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CC3)C2)c(Cl)c1 ZINC000609384306 348343289 /nfs/dbraw/zinc/34/32/89/348343289.db2.gz HRTYDMXJBVRBNW-NSHDSACASA-N 1 0 295.770 3.144 20 5 CGBDRO CC(C)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610410639 348381725 /nfs/dbraw/zinc/38/17/25/348381725.db2.gz SJINTSGMOBXVMM-CQSZACIVSA-N 1 0 262.353 3.463 20 5 CGBDRO CC(C)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000610481098 348384697 /nfs/dbraw/zinc/38/46/97/348384697.db2.gz WHUGHWMJNGVCLQ-UHFFFAOYSA-N 1 0 254.305 3.258 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Nc2cnn(-c3cc[nH+]cc3)c2)c1 ZINC000610677396 348395385 /nfs/dbraw/zinc/39/53/85/348395385.db2.gz APFDSRGUORTDFO-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO C[N@H+](CCCOC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000610681247 348396174 /nfs/dbraw/zinc/39/61/74/348396174.db2.gz SRWSRQMSJXZCRV-UHFFFAOYSA-N 1 0 280.368 3.232 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351977747 219272110 /nfs/dbraw/zinc/27/21/10/219272110.db2.gz KKQAECZYECBPMW-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO COc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000351977737 219272217 /nfs/dbraw/zinc/27/22/17/219272217.db2.gz KGHQZBFUUSDDOP-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])s1 ZINC000613114680 348566574 /nfs/dbraw/zinc/56/65/74/348566574.db2.gz WPOSULGZZZFKAI-UHFFFAOYSA-N 1 0 285.413 3.215 20 5 CGBDRO Cc1c(C[NH2+]C2CC(OC(C)(C)C)C2)cccc1[N+](=O)[O-] ZINC000358321760 233107912 /nfs/dbraw/zinc/10/79/12/233107912.db2.gz JZVGLOJRSKKPTK-UHFFFAOYSA-N 1 0 292.379 3.339 20 5 CGBDRO CC1CC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618571950 349108677 /nfs/dbraw/zinc/10/86/77/349108677.db2.gz YVUISFBNYPNDLL-MBRGGSNBSA-N 1 0 260.337 3.360 20 5 CGBDRO CSCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618981545 349191063 /nfs/dbraw/zinc/19/10/63/349191063.db2.gz WYEFLZASHGEEOB-CYBMUJFWSA-N 1 0 280.393 3.270 20 5 CGBDRO CC1(C)SC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000619823344 349285778 /nfs/dbraw/zinc/28/57/78/349285778.db2.gz UXIGTPCEFUNWBF-ZIAGYGMSSA-N 1 0 292.404 3.456 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122710695 187046851 /nfs/dbraw/zinc/04/68/51/187046851.db2.gz WYOFQCMGBKTOPA-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccccn2)C2CC2)c1 ZINC000153249229 188072146 /nfs/dbraw/zinc/07/21/46/188072146.db2.gz ZKRVVGIYZPFWJJ-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000173458014 188855407 /nfs/dbraw/zinc/85/54/07/188855407.db2.gz MBAAQTXHIRPSFN-SMDDNHRTSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000294834452 199203994 /nfs/dbraw/zinc/20/39/94/199203994.db2.gz QGNRWCIRZWLPKK-DOMZBBRYSA-N 1 0 292.379 3.073 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CC2CCC1CC2 ZINC000433008859 236756980 /nfs/dbraw/zinc/75/69/80/236756980.db2.gz ZZQCUMJNBXCSPX-RUXDESIVSA-N 1 0 290.363 3.142 20 5 CGBDRO CCOC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000298197909 200358474 /nfs/dbraw/zinc/35/84/74/200358474.db2.gz CAFVZJGTFHXETD-UHFFFAOYSA-N 1 0 296.342 3.125 20 5 CGBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000342081272 216213627 /nfs/dbraw/zinc/21/36/27/216213627.db2.gz WDXXWZMHJUVSKW-SCXUMTSISA-N 1 0 283.331 3.354 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C2CCSCC2)cccc1[N+](=O)[O-] ZINC000180508789 189260023 /nfs/dbraw/zinc/26/00/23/189260023.db2.gz KMEPPXVSXVFZPO-NSHDSACASA-N 1 0 280.393 3.449 20 5 CGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000301475799 201021446 /nfs/dbraw/zinc/02/14/46/201021446.db2.gz WIDUBYFYNJMPLT-GFCCVEGCSA-N 1 0 295.358 3.045 20 5 CGBDRO CCC[NH+]1CCC(N(C)c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000301557292 201067875 /nfs/dbraw/zinc/06/78/75/201067875.db2.gz IYEMFEZNWOSKOS-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO Cc1cc(NC2CCC(C[NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000301764802 201185003 /nfs/dbraw/zinc/18/50/03/201185003.db2.gz CNDOYSQRPYJSEM-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO CC[C@@H](CNc1ccc(C)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301815923 201214974 /nfs/dbraw/zinc/21/49/74/201214974.db2.gz IXXDJXIPAQSWRV-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000301939823 201270756 /nfs/dbraw/zinc/27/07/56/201270756.db2.gz UAPJDYONDHEXFD-NSHDSACASA-N 1 0 283.397 3.190 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342546150 216392891 /nfs/dbraw/zinc/39/28/91/216392891.db2.gz RWGAYXXTPMZDLS-GFCCVEGCSA-N 1 0 295.358 3.124 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cccnc1 ZINC000449066483 239154757 /nfs/dbraw/zinc/15/47/57/239154757.db2.gz CEYSESQKTDGMRA-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000302138232 201358884 /nfs/dbraw/zinc/35/88/84/201358884.db2.gz CIQGRZNYHSWHAF-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCOC1 ZINC000342624012 216438436 /nfs/dbraw/zinc/43/84/36/216438436.db2.gz QMWDGYOGSXNKTG-HNNXBMFYSA-N 1 0 292.379 3.232 20 5 CGBDRO CCC[C@@H]([NH2+]CCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000192930808 189632092 /nfs/dbraw/zinc/63/20/92/189632092.db2.gz RDPPBGHZMOSBRM-OAHLLOKOSA-N 1 0 280.368 3.188 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451490880 240311167 /nfs/dbraw/zinc/31/11/67/240311167.db2.gz OXSDXXDXZKZTKA-HIFRSBDPSA-N 1 0 296.342 3.027 20 5 CGBDRO COc1cc(C[N@@H+]2[C@@H](C)CCC2(C)C)ccc1[N+](=O)[O-] ZINC000452006573 240394650 /nfs/dbraw/zinc/39/46/50/240394650.db2.gz LYPBIPMUHPMTDM-NSHDSACASA-N 1 0 278.352 3.366 20 5 CGBDRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538192882 288562186 /nfs/dbraw/zinc/56/21/86/288562186.db2.gz IVMBXUDPRDSACO-OLZOCXBDSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000461206675 242301974 /nfs/dbraw/zinc/30/19/74/242301974.db2.gz GLLJRNNKDIRTFX-UHFFFAOYSA-N 1 0 297.358 3.211 20 5 CGBDRO Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461966140 242320970 /nfs/dbraw/zinc/32/09/70/242320970.db2.gz ODPLAIVVYIXNAW-RYUDHWBXSA-N 1 0 295.358 3.327 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)C(F)(F)F ZINC000479595937 243113886 /nfs/dbraw/zinc/11/38/86/243113886.db2.gz VUSGIBACEYDYTG-SECBINFHSA-N 1 0 276.258 3.191 20 5 CGBDRO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000479588828 243114940 /nfs/dbraw/zinc/11/49/40/243114940.db2.gz HZZHFIYZVFQRAK-AYYIZTPMSA-N 1 0 288.269 3.396 20 5 CGBDRO Cc1ccc2c(c1)C[N@@H+](CCc1ccc([N+](=O)[O-])cc1)C2 ZINC000483338573 243278930 /nfs/dbraw/zinc/27/89/30/243278930.db2.gz QCTLECDIOBLLJU-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOc3ccccc32)cc1 ZINC000034996425 368988352 /nfs/dbraw/zinc/98/83/52/368988352.db2.gz LBJCLUWUAJYXCU-OAHLLOKOSA-N 1 0 284.315 3.208 20 5 CGBDRO COc1cccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000037771637 369108295 /nfs/dbraw/zinc/10/82/95/369108295.db2.gz NAURTDYNEBGJRM-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[C@H]([NH2+][C@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775212 369164182 /nfs/dbraw/zinc/16/41/82/369164182.db2.gz WKVATSSRZPWLAN-ZFWWWQNUSA-N 1 0 280.368 3.043 20 5 CGBDRO COc1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000042976068 369239774 /nfs/dbraw/zinc/23/97/74/369239774.db2.gz PEBNFLXJDACMOG-UHFFFAOYSA-N 1 0 286.331 3.235 20 5 CGBDRO CC[NH+](CC)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351829 369437190 /nfs/dbraw/zinc/43/71/90/369437190.db2.gz WEHTZNFAXWCSQZ-UHFFFAOYSA-N 1 0 271.748 3.002 20 5 CGBDRO C[N@H+](CCc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000054175639 369497531 /nfs/dbraw/zinc/49/75/31/369497531.db2.gz LUBREOLVZSTJEZ-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCCC1 ZINC000064014373 369650442 /nfs/dbraw/zinc/65/04/42/369650442.db2.gz WDDABLQDDBWOMQ-UHFFFAOYSA-N 1 0 254.355 3.278 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000076150405 369933108 /nfs/dbraw/zinc/93/31/08/369933108.db2.gz OZGUUTQJKOXKDP-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343993438 217008452 /nfs/dbraw/zinc/00/84/52/217008452.db2.gz ZUFBZXKSFGPTBJ-OUCADQQQSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[NH+](CC)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131430377 371108111 /nfs/dbraw/zinc/10/81/11/371108111.db2.gz AMIOGZXNAMLRDP-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO COCC[C@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331646830 204040280 /nfs/dbraw/zinc/04/02/80/204040280.db2.gz NTYRXIAFZVFOMA-GFCCVEGCSA-N 1 0 298.408 3.295 20 5 CGBDRO CC[C@]1(C)CN(Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000135678883 371442925 /nfs/dbraw/zinc/44/29/25/371442925.db2.gz XTAIBBUFLSGCCR-CQSZACIVSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@H](NCC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423198202 372023383 /nfs/dbraw/zinc/02/33/83/372023383.db2.gz DPTASMIOWQWTIO-ZDUSSCGKSA-N 1 0 291.395 3.297 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000428457823 372210293 /nfs/dbraw/zinc/21/02/93/372210293.db2.gz KNVOLOZLOKBLSU-IUODEOHRSA-N 1 0 260.337 3.278 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)c1ccccc1[N+](=O)[O-] ZINC000429306508 372348539 /nfs/dbraw/zinc/34/85/39/372348539.db2.gz MGGXSIMOEHRROO-DGCLKSJQSA-N 1 0 298.342 3.118 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000162220187 372381896 /nfs/dbraw/zinc/38/18/96/372381896.db2.gz QWEPZISJZHHOIV-MLGOLLRUSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000293682025 372449439 /nfs/dbraw/zinc/44/94/39/372449439.db2.gz KILPXVQPGXZZFR-CABCVRRESA-N 1 0 278.352 3.061 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC1(C)C ZINC000344413440 217186743 /nfs/dbraw/zinc/18/67/43/217186743.db2.gz YMWHTBIMQVDSRO-LBPRGKRZSA-N 1 0 278.352 3.129 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165430523 372551087 /nfs/dbraw/zinc/55/10/87/372551087.db2.gz PAWZLVDKCRIGBG-CVEARBPZSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H](N[C@H]1C[C@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294172127 372601591 /nfs/dbraw/zinc/60/15/91/372601591.db2.gz RNOVCFWKBPNFRT-MJVIPROJSA-N 1 0 286.335 3.148 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CCC(F)(F)F ZINC000353387837 220057824 /nfs/dbraw/zinc/05/78/24/220057824.db2.gz PYEAVXOYYGLRMP-UHFFFAOYSA-N 1 0 276.258 3.022 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(C)C)C1CC1 ZINC000170908782 372680089 /nfs/dbraw/zinc/68/00/89/372680089.db2.gz XCHMHFBWSQNHLB-UHFFFAOYSA-N 1 0 278.352 3.366 20 5 CGBDRO COc1ccc(C[NH2+]Cc2cc(C)cs2)cc1[N+](=O)[O-] ZINC000344647006 217260396 /nfs/dbraw/zinc/26/03/96/217260396.db2.gz WNXQIFQYMCLDON-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO Cc1ccc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])c1 ZINC000296165146 373040014 /nfs/dbraw/zinc/04/00/14/373040014.db2.gz ZADOISUODDNJRY-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154052 373038108 /nfs/dbraw/zinc/03/81/08/373038108.db2.gz UEFUVBQHKVDWAZ-SWLSCSKDSA-N 1 0 292.379 3.403 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000441452375 373016788 /nfs/dbraw/zinc/01/67/88/373016788.db2.gz UIOIWDSCRDZFGP-RTXFEEFZSA-N 1 0 260.337 3.244 20 5 CGBDRO CC(F)(F)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000296193939 373049366 /nfs/dbraw/zinc/04/93/66/373049366.db2.gz YRSSWIRXZAEMMH-UHFFFAOYSA-N 1 0 258.268 3.120 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000296272416 373074110 /nfs/dbraw/zinc/07/41/10/373074110.db2.gz DRWVQJWHCXSSNS-ZIAGYGMSSA-N 1 0 278.352 3.203 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccnc1 ZINC000344857522 217334130 /nfs/dbraw/zinc/33/41/30/217334130.db2.gz MCGGKMVXNZVQNA-UVTDQMKNSA-N 1 0 297.358 3.225 20 5 CGBDRO C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000174406122 373308210 /nfs/dbraw/zinc/30/82/10/373308210.db2.gz LHBZWJVNQPYTQI-VIFPVBQESA-N 1 0 254.717 3.233 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000539059011 288601572 /nfs/dbraw/zinc/60/15/72/288601572.db2.gz OQKGJDVNDUDZLP-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000301067936 373645316 /nfs/dbraw/zinc/64/53/16/373645316.db2.gz CVAHROUQHGWHIT-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000301250714 373712285 /nfs/dbraw/zinc/71/22/85/373712285.db2.gz MPBHZLYRLMOONB-LBPRGKRZSA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1cc(NC[C@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301127834 373668956 /nfs/dbraw/zinc/66/89/56/373668956.db2.gz XRCWNQBSVRYFGB-AWEZNQCLSA-N 1 0 279.384 3.291 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123416 373669778 /nfs/dbraw/zinc/66/97/78/373669778.db2.gz ZQWJBYDGPIZFEK-CHWSQXEVSA-N 1 0 277.368 3.127 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cs1 ZINC000177514382 373689005 /nfs/dbraw/zinc/68/90/05/373689005.db2.gz BHHNBDKLMLWOFG-VXGBXAGGSA-N 1 0 266.366 3.278 20 5 CGBDRO C[C@@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000301414340 373774429 /nfs/dbraw/zinc/77/44/29/373774429.db2.gz LKKXHRTWXKVHFM-MNOVXSKESA-N 1 0 297.786 3.167 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449522862 373821688 /nfs/dbraw/zinc/82/16/88/373821688.db2.gz LRYOILKIOIXWKR-XNRPHZJLSA-N 1 0 292.379 3.073 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000449627403 373836120 /nfs/dbraw/zinc/83/61/20/373836120.db2.gz GHMHAXWIZSMBMU-LEOCGOGGSA-N 1 0 290.363 3.011 20 5 CGBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493288 373786352 /nfs/dbraw/zinc/78/63/52/373786352.db2.gz LCAIRIWUILOHCX-XJKSGUPXSA-N 1 0 292.379 3.150 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000449500599 373798350 /nfs/dbraw/zinc/79/83/50/373798350.db2.gz NXYGDPUZIMGOJS-AWEZNQCLSA-N 1 0 260.337 3.184 20 5 CGBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ccccc1[N+](=O)[O-] ZINC000302433814 373867025 /nfs/dbraw/zinc/86/70/25/373867025.db2.gz QFPKIICVCVZCBX-ZDUSSCGKSA-N 1 0 277.368 3.271 20 5 CGBDRO C[C@H]1C[C@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000302793559 373965439 /nfs/dbraw/zinc/96/54/39/373965439.db2.gz ZXHXQYJOGKGTMB-CMPLNLGQSA-N 1 0 297.786 3.167 20 5 CGBDRO COC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000180198213 373975675 /nfs/dbraw/zinc/97/56/75/373975675.db2.gz JSHDFHHRXIAWNJ-GFCCVEGCSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181369238 374114777 /nfs/dbraw/zinc/11/47/77/374114777.db2.gz AQCGLXFWOXQXSI-ZDUSSCGKSA-N 1 0 286.331 3.324 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305842844 374118973 /nfs/dbraw/zinc/11/89/73/374118973.db2.gz RQDLPMYGDDOAJR-IHRRRGAJSA-N 1 0 292.379 3.057 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000311878728 374259816 /nfs/dbraw/zinc/25/98/16/374259816.db2.gz MSJDYOANROGDHW-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663249 374488990 /nfs/dbraw/zinc/48/89/90/374488990.db2.gz SWPQALYHOTUVJW-WCQYABFASA-N 1 0 278.352 3.366 20 5 CGBDRO CCOc1cc(C[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000331158931 374510066 /nfs/dbraw/zinc/51/00/66/374510066.db2.gz KNEAGCJVLKSGCX-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000252196433 189973628 /nfs/dbraw/zinc/97/36/28/189973628.db2.gz VOSHELWIFHSFPY-GFQSEFKGSA-N 1 0 278.352 3.201 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185190698 374605774 /nfs/dbraw/zinc/60/57/74/374605774.db2.gz ACVYJGNWYLQZPP-CHWSQXEVSA-N 1 0 298.408 3.340 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690443 374892588 /nfs/dbraw/zinc/89/25/88/374892588.db2.gz QTNXUSCBGOZMBT-ZYHUDNBSSA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC1([NH+](C)C)CCC1 ZINC000186965917 374947830 /nfs/dbraw/zinc/94/78/30/374947830.db2.gz HHPCLTGIOTWQPT-CYBMUJFWSA-N 1 0 291.395 3.072 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000187317382 375003053 /nfs/dbraw/zinc/00/30/53/375003053.db2.gz RTOYIOQPINVREN-NSHDSACASA-N 1 0 280.393 3.216 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188020338 375142664 /nfs/dbraw/zinc/14/26/64/375142664.db2.gz YQBQBAPOMSYCET-GZBFAFLISA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188020313 375143018 /nfs/dbraw/zinc/14/30/18/375143018.db2.gz YQBQBAPOMSYCET-UMVBOHGHSA-N 1 0 292.379 3.105 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539293730 288609804 /nfs/dbraw/zinc/60/98/04/288609804.db2.gz WUZAKTOHYFKRAC-JGGQBBKZSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000191062757 375569126 /nfs/dbraw/zinc/56/91/26/375569126.db2.gz SYUUNENWWGVSQT-OBJOEFQTSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000507143591 375678941 /nfs/dbraw/zinc/67/89/41/375678941.db2.gz NLVDWSHDNCKMJM-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336809764 375961094 /nfs/dbraw/zinc/96/10/94/375961094.db2.gz GGMBEXWOYPGUGT-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000336810632 375962813 /nfs/dbraw/zinc/96/28/13/375962813.db2.gz ISZMNBXRWORMCY-WDEREUQCSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCCS2)c(F)c1 ZINC000336811742 375962944 /nfs/dbraw/zinc/96/29/44/375962944.db2.gz OILBSFOXUANWAQ-LBPRGKRZSA-N 1 0 284.356 3.109 20 5 CGBDRO CC(C)(C)C[NH+](CCn1ccc([N+](=O)[O-])n1)CC(C)(C)C ZINC000537120747 376148743 /nfs/dbraw/zinc/14/87/43/376148743.db2.gz GFXSFTCCHYYRGL-UHFFFAOYSA-N 1 0 296.415 3.186 20 5 CGBDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000537628499 376184878 /nfs/dbraw/zinc/18/48/78/376184878.db2.gz NSFLGRGSHNWBBY-ZDUSSCGKSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000221579382 376218055 /nfs/dbraw/zinc/21/80/55/376218055.db2.gz XEYODMKIZAMBEC-GFCCVEGCSA-N 1 0 280.368 3.044 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000538711879 376258544 /nfs/dbraw/zinc/25/85/44/376258544.db2.gz CYRBAVDRDHMZOC-NSHDSACASA-N 1 0 280.368 3.470 20 5 CGBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000538725954 376260547 /nfs/dbraw/zinc/26/05/47/376260547.db2.gz IWTIYAPSSGXFJM-WCQYABFASA-N 1 0 262.353 3.381 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055781 376353695 /nfs/dbraw/zinc/35/36/95/376353695.db2.gz JNNCOGJYBCATNY-QWHCGFSZSA-N 1 0 278.352 3.237 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(NCC[NH+]2CCCCCC2)c(F)c1 ZINC000227888092 376417437 /nfs/dbraw/zinc/41/74/37/376417437.db2.gz ZFPDCNOVGAEQGG-UHFFFAOYSA-N 1 0 299.321 3.161 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCc1ccc(O)cc1 ZINC000338709092 376491471 /nfs/dbraw/zinc/49/14/71/376491471.db2.gz PUFGSFXVVYACDA-HWKANZROSA-N 1 0 298.342 3.146 20 5 CGBDRO CC1C[NH+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C1 ZINC000338952950 376598374 /nfs/dbraw/zinc/59/83/74/376598374.db2.gz RPYGIIMVTQCIKR-UHFFFAOYSA-N 1 0 272.304 3.307 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000340492584 377100096 /nfs/dbraw/zinc/10/00/96/377100096.db2.gz RDOBLRBVUIXQLQ-HZPDHXFCSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H](C)F ZINC000559895340 377104865 /nfs/dbraw/zinc/10/48/65/377104865.db2.gz YJDMTZJRJXMSNM-MNOVXSKESA-N 1 0 254.305 3.302 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000247049102 377148390 /nfs/dbraw/zinc/14/83/90/377148390.db2.gz NCTNCCLYUXICCA-YWPYICTPSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313073308 249085387 /nfs/dbraw/zinc/08/53/87/249085387.db2.gz YPQIRBCNYKETKF-UONOGXRCSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC3CCC2CC3)cc1 ZINC000314871278 249096356 /nfs/dbraw/zinc/09/63/56/249096356.db2.gz HAIVLKPYTNCPCE-ZUEPYMLJSA-N 1 0 290.363 3.142 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000250078960 377548923 /nfs/dbraw/zinc/54/89/23/377548923.db2.gz OVAZPFKPSMXVJW-ZIEJDFEHSA-N 1 0 290.363 3.121 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@H+](C2CC2)C2CCCC2)c1 ZINC000518106425 249275952 /nfs/dbraw/zinc/27/59/52/249275952.db2.gz DIWJBTNQPWXLKF-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000518674268 249284697 /nfs/dbraw/zinc/28/46/97/249284697.db2.gz PCDKPIABQLDPBR-MRXNPFEDSA-N 1 0 297.358 3.288 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000519084884 249292299 /nfs/dbraw/zinc/29/22/99/249292299.db2.gz QBQGMWCZYNIIMC-NWDGAFQWSA-N 1 0 280.368 3.103 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252450783 377624264 /nfs/dbraw/zinc/62/42/64/377624264.db2.gz UVFBBPFPLAQASP-BYCMXARLSA-N 1 0 278.352 3.203 20 5 CGBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000342603069 377684901 /nfs/dbraw/zinc/68/49/01/377684901.db2.gz XINSFFVUSBDYAP-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255424224 377758403 /nfs/dbraw/zinc/75/84/03/377758403.db2.gz NGZXHJFRAWOTEH-BXLSQVKPSA-N 1 0 260.337 3.481 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000255470950 377760291 /nfs/dbraw/zinc/76/02/91/377760291.db2.gz MVZJAASWHRAVCT-XHSUHYBKSA-N 1 0 260.337 3.338 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCC23CC3)c1 ZINC000575196772 377761637 /nfs/dbraw/zinc/76/16/37/377761637.db2.gz XOZQZMZQZZKFKC-AWEZNQCLSA-N 1 0 260.337 3.060 20 5 CGBDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000268890188 378143928 /nfs/dbraw/zinc/14/39/28/378143928.db2.gz CSXVMLBZNQDZDI-CYBMUJFWSA-N 1 0 292.379 3.188 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579338688 378151139 /nfs/dbraw/zinc/15/11/39/378151139.db2.gz APFWCFVRWCRVER-UONOGXRCSA-N 1 0 293.411 3.366 20 5 CGBDRO COCC1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000582300909 378302520 /nfs/dbraw/zinc/30/25/20/378302520.db2.gz JNRHBBSGVXHXMB-XQRVVYSFSA-N 1 0 290.363 3.014 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000583934072 378359375 /nfs/dbraw/zinc/35/93/75/378359375.db2.gz LABZYXAKFIIHHC-IOKDEZFASA-N 1 0 278.327 3.478 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000345803527 378373503 /nfs/dbraw/zinc/37/35/03/378373503.db2.gz XYULEBCXSWJFKJ-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000272519094 378656212 /nfs/dbraw/zinc/65/62/12/378656212.db2.gz XZCWPTXYDIVTHH-NOZJJQNGSA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000278671815 194094658 /nfs/dbraw/zinc/09/46/58/194094658.db2.gz IGDQGADTMFBBQR-NSHDSACASA-N 1 0 288.269 3.369 20 5 CGBDRO COCC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000277017415 379045988 /nfs/dbraw/zinc/04/59/88/379045988.db2.gz ZCXAQOJFIZLHIM-UHFFFAOYSA-N 1 0 286.759 3.010 20 5 CGBDRO Cc1ccc(N2CCC(c3c[nH]cn3)CC2)c([N+](=O)[O-])c1 ZINC000370987812 379094739 /nfs/dbraw/zinc/09/47/39/379094739.db2.gz FHHLTBDMRYNGFV-UHFFFAOYSA-N 1 0 286.335 3.010 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ncc(Cl)s2)c1 ZINC000349668833 379338399 /nfs/dbraw/zinc/33/83/99/379338399.db2.gz OOTUDSBGDYTYSU-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO Cc1cc(N[C@H]2CC[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000380341332 379862998 /nfs/dbraw/zinc/86/29/98/379862998.db2.gz YMDKRSYVMVVIME-RNCFNFMXSA-N 1 0 271.320 3.084 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000352694253 379912168 /nfs/dbraw/zinc/91/21/68/379912168.db2.gz VGVYKQRAWVQSQT-JTQLQIEISA-N 1 0 278.327 3.497 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC12CCC2 ZINC000282343887 379902412 /nfs/dbraw/zinc/90/24/12/379902412.db2.gz VKEQYPRBMFADGG-AWEZNQCLSA-N 1 0 276.336 3.026 20 5 CGBDRO CCCCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000353970678 380256627 /nfs/dbraw/zinc/25/66/27/380256627.db2.gz GEOODZYRMTYUTE-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO COC1([C@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000414527420 380299848 /nfs/dbraw/zinc/29/98/48/380299848.db2.gz QZUQJLBDDUQRIR-LJLILKBBSA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@@H](O)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279078498 194274095 /nfs/dbraw/zinc/27/40/95/194274095.db2.gz MKPNNBYSHRLPKN-IAQYHMDHSA-N 1 0 292.379 3.068 20 5 CGBDRO Cc1ccc(CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354547903 380481628 /nfs/dbraw/zinc/48/16/28/380481628.db2.gz UEEQURMLPDZHBR-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO COCC1(C)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000354744250 380546643 /nfs/dbraw/zinc/54/66/43/380546643.db2.gz CFXFZEVBUWAOPG-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1(C(F)F)CC1 ZINC000355168917 380607941 /nfs/dbraw/zinc/60/79/41/380607941.db2.gz TUTMGBLHXRNXCW-HYXAFXHYSA-N 1 0 282.290 3.243 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000419372686 380818772 /nfs/dbraw/zinc/81/87/72/380818772.db2.gz MUHLATNPKLUTDN-QJPTWQEYSA-N 1 0 278.352 3.080 20 5 CGBDRO CCOc1cccc(NCC[N@H+](CC)C(C)C)c1[N+](=O)[O-] ZINC000357239605 381080027 /nfs/dbraw/zinc/08/00/27/381080027.db2.gz PHDTVCPVYHVLPJ-UHFFFAOYSA-N 1 0 295.383 3.136 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000360597263 381587861 /nfs/dbraw/zinc/58/78/61/381587861.db2.gz LJWTWCHGCPLDPX-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000360614573 381593827 /nfs/dbraw/zinc/59/38/27/381593827.db2.gz SVGOIEIRCMVMSK-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CCC1 ZINC000361486553 381771141 /nfs/dbraw/zinc/77/11/41/381771141.db2.gz RIBKKQZIJXLDEG-UHFFFAOYSA-N 1 0 296.342 3.365 20 5 CGBDRO COC1CCC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000350221355 219000640 /nfs/dbraw/zinc/00/06/40/219000640.db2.gz GSZJVUKNXLOUTF-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCSC1)CCC2 ZINC000278730849 285144458 /nfs/dbraw/zinc/14/44/58/285144458.db2.gz MTGOCKLZSYWITK-FZMZJTMJSA-N 1 0 278.377 3.067 20 5 CGBDRO CCOCC(C)(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000288562190 197113009 /nfs/dbraw/zinc/11/30/09/197113009.db2.gz MLKZVYMNFPUZOR-VQHVLOKHSA-N 1 0 292.379 3.260 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447206 195243209 /nfs/dbraw/zinc/24/32/09/195243209.db2.gz QJQVLNOELRLEFQ-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO COc1ccc(C[NH2+]CCC=C(C)C)cc1[N+](=O)[O-] ZINC000359700138 533660706 /nfs/dbraw/zinc/66/07/06/533660706.db2.gz LYFVPTGBMDMSKY-UHFFFAOYSA-N 1 0 264.325 3.049 20 5 CGBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000071954248 392194752 /nfs/dbraw/zinc/19/47/52/392194752.db2.gz DVIPWDFHXAVLCO-RYUDHWBXSA-N 1 0 295.358 3.266 20 5 CGBDRO CCC[C@@H]([NH2+]CCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228037156 130860750 /nfs/dbraw/zinc/86/07/50/130860750.db2.gz RYRRLBMHUMMZKF-SWLSCSKDSA-N 1 0 280.368 3.187 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1sccc1C ZINC000105445682 392289815 /nfs/dbraw/zinc/28/98/15/392289815.db2.gz AIVHLEJWIXBELO-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CCC(CC)(CCO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000509411946 392749547 /nfs/dbraw/zinc/74/95/47/392749547.db2.gz XZUHYTFAJNRGQL-VQHVLOKHSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000192706970 392858843 /nfs/dbraw/zinc/85/88/43/392858843.db2.gz NPUREKOECYBNMJ-QGZVFWFLSA-N 1 0 297.358 3.465 20 5 CGBDRO O=[N+]([O-])c1ccc(SCC[NH+]2CCCCC2)c(F)c1 ZINC000193507109 392879189 /nfs/dbraw/zinc/87/91/89/392879189.db2.gz YSWAJLUGGXYMBF-UHFFFAOYSA-N 1 0 284.356 3.312 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CC(C)C)C1 ZINC000466733618 393053880 /nfs/dbraw/zinc/05/38/80/393053880.db2.gz VQNNOGOGIBJCAQ-CYBMUJFWSA-N 1 0 292.379 3.471 20 5 CGBDRO CC(C)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000466738285 393054182 /nfs/dbraw/zinc/05/41/82/393054182.db2.gz TULHZWWLHUZSGJ-AWEZNQCLSA-N 1 0 292.379 3.342 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC1CC1 ZINC000468637304 393156535 /nfs/dbraw/zinc/15/65/35/393156535.db2.gz HVRHBHQFFXPXIU-XFXZXTDPSA-N 1 0 260.337 3.388 20 5 CGBDRO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470171747 393229364 /nfs/dbraw/zinc/22/93/64/393229364.db2.gz NYSNDRVEPOOTPA-FMIVXFBMSA-N 1 0 260.337 3.482 20 5 CGBDRO CC[C@H](O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163672 393332820 /nfs/dbraw/zinc/33/28/20/393332820.db2.gz UGBZOOHSSUPLKV-SWLSCSKDSA-N 1 0 292.379 3.068 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccncc1)CCC2 ZINC000278369335 393320002 /nfs/dbraw/zinc/32/00/02/393320002.db2.gz CBAXWMPKNYSNHN-KRWDZBQOSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@H](O)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279078501 393330161 /nfs/dbraw/zinc/33/01/61/393330161.db2.gz MKPNNBYSHRLPKN-NHYWBVRUSA-N 1 0 292.379 3.068 20 5 CGBDRO CC[C@@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417349889 393349399 /nfs/dbraw/zinc/34/93/99/393349399.db2.gz NEMGGJMXRYBIDK-HOCLYGCPSA-N 1 0 292.379 3.377 20 5 CGBDRO CC(C)[NH+](CCN(C)Cc1csc([N+](=O)[O-])c1)C(C)C ZINC000356346149 393425212 /nfs/dbraw/zinc/42/52/12/393425212.db2.gz BUCRHOPHRGRSPY-UHFFFAOYSA-N 1 0 299.440 3.207 20 5 CGBDRO CCC(=O)c1ccc(N[C@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420253693 393444147 /nfs/dbraw/zinc/44/41/47/393444147.db2.gz BMEWJHIWKXPTSF-LLVKDONJSA-N 1 0 293.367 3.117 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000428457822 393463339 /nfs/dbraw/zinc/46/33/39/393463339.db2.gz KNVOLOZLOKBLSU-DOMZBBRYSA-N 1 0 260.337 3.278 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578705 393486529 /nfs/dbraw/zinc/48/65/29/393486529.db2.gz JMUSTVUPNCAFHJ-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601839 393492602 /nfs/dbraw/zinc/49/26/02/393492602.db2.gz WPVZOWITXUMMFY-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000430229360 393544544 /nfs/dbraw/zinc/54/45/44/393544544.db2.gz XQJWTUQYMMYFIM-UHFFFAOYSA-N 1 0 290.363 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C1CCC1 ZINC000430199655 393538488 /nfs/dbraw/zinc/53/84/88/393538488.db2.gz DAYRURNKURMOGD-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CC1=C[C@H](C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000430264722 393552587 /nfs/dbraw/zinc/55/25/87/393552587.db2.gz SLJSNGPOSMVMPY-LBPRGKRZSA-N 1 0 260.337 3.035 20 5 CGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000432818348 393644533 /nfs/dbraw/zinc/64/45/33/393644533.db2.gz VHPPZFSKBKDKTB-NSHDSACASA-N 1 0 278.327 3.498 20 5 CGBDRO CC[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535819 393671642 /nfs/dbraw/zinc/67/16/42/393671642.db2.gz YMXGPJFVMISOTH-HZPDHXFCSA-N 1 0 291.395 3.153 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[NH+](C)C ZINC000443450754 393758255 /nfs/dbraw/zinc/75/82/55/393758255.db2.gz FWKDLWAXXVSMLC-NSHDSACASA-N 1 0 295.383 3.134 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCOC(C)(C)C1 ZINC000453586747 394251376 /nfs/dbraw/zinc/25/13/76/394251376.db2.gz VURHPKUGNZKMFV-CYBMUJFWSA-N 1 0 292.379 3.198 20 5 CGBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000453587397 394251398 /nfs/dbraw/zinc/25/13/98/394251398.db2.gz XCDNLIUWNZXOPO-NSHDSACASA-N 1 0 296.342 3.029 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC(F)(F)F)cc1 ZINC000097988733 296504057 /nfs/dbraw/zinc/50/40/57/296504057.db2.gz HREJCSVMMCESCZ-UHFFFAOYSA-N 1 0 262.231 3.027 20 5 CGBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000050545643 286932182 /nfs/dbraw/zinc/93/21/82/286932182.db2.gz SVTQMFVZUGVVFS-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CC[NH+](CC)CCCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000065944908 286968894 /nfs/dbraw/zinc/96/88/94/286968894.db2.gz IEKWIDSTDIXGKN-UHFFFAOYSA-N 1 0 283.347 3.268 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC(C2CC2)C2CC2)cs1 ZINC000088456186 287086722 /nfs/dbraw/zinc/08/67/22/287086722.db2.gz MEYXQIJDDWHCGO-UHFFFAOYSA-N 1 0 266.366 3.182 20 5 CGBDRO CC[C@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089911919 165220348 /nfs/dbraw/zinc/22/03/48/165220348.db2.gz BHYNKXDWXZMLGM-NSHDSACASA-N 1 0 289.335 3.480 20 5 CGBDRO Cc1ccc(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093500196 165328755 /nfs/dbraw/zinc/32/87/55/165328755.db2.gz VKWQACGFJMQDRA-RYUDHWBXSA-N 1 0 280.393 3.229 20 5 CGBDRO COc1ccc(C[NH2+]C2C(C)(C)C2(C)C)cc1[N+](=O)[O-] ZINC000092816819 287113568 /nfs/dbraw/zinc/11/35/68/287113568.db2.gz YZIJIFYFMZPRAJ-UHFFFAOYSA-N 1 0 278.352 3.128 20 5 CGBDRO CCCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116269171 287156828 /nfs/dbraw/zinc/15/68/28/287156828.db2.gz SQBQZPZGMGWMOL-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035121804 171991728 /nfs/dbraw/zinc/99/17/28/171991728.db2.gz YDWFJDMHEDTQDG-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000037167407 173001136 /nfs/dbraw/zinc/00/11/36/173001136.db2.gz QJRPOQDNBXYPFY-WDEREUQCSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000037167409 173001762 /nfs/dbraw/zinc/00/17/62/173001762.db2.gz QJRPOQDNBXYPFY-GHMZBOCLSA-N 1 0 288.351 3.049 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562501 173272901 /nfs/dbraw/zinc/27/29/01/173272901.db2.gz BZTUSTGZHYUQLL-GXSJLCMTSA-N 1 0 254.355 3.325 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCCC2)c(Cl)c1 ZINC000049963058 175505735 /nfs/dbraw/zinc/50/57/35/175505735.db2.gz QKMQLMANSVOASA-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000129496816 287333552 /nfs/dbraw/zinc/33/35/52/287333552.db2.gz MWCOMWPYSCJMLY-ZDUSSCGKSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000391190462 262386985 /nfs/dbraw/zinc/38/69/85/262386985.db2.gz VMGROEIPBWONGJ-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CCCC[N@H+](CCCO)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183114187 270055062 /nfs/dbraw/zinc/05/50/62/270055062.db2.gz QHIJNHKLRJXDPL-AWEZNQCLSA-N 1 0 294.395 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000527371011 270128006 /nfs/dbraw/zinc/12/80/06/270128006.db2.gz SPAAMKBCAWQYGW-ZCDTZLGTSA-N 1 0 290.363 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[N@@H+](C)C(C)C ZINC000531944887 270211106 /nfs/dbraw/zinc/21/11/06/270211106.db2.gz AMMFJKTZRGXJCD-CQSZACIVSA-N 1 0 293.411 3.284 20 5 CGBDRO CCOCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417299029 273697261 /nfs/dbraw/zinc/69/72/61/273697261.db2.gz LTAFUBVXNYVWQN-INIZCTEOSA-N 1 0 292.379 3.379 20 5 CGBDRO CC[C@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278978447 273765678 /nfs/dbraw/zinc/76/56/78/273765678.db2.gz CTHQURDNONWZBU-HOCLYGCPSA-N 1 0 292.379 3.068 20 5 CGBDRO C[C@@H](O)CCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279078495 274264802 /nfs/dbraw/zinc/26/48/02/274264802.db2.gz MKPNNBYSHRLPKN-ABAIWWIYSA-N 1 0 292.379 3.068 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000191663197 275039768 /nfs/dbraw/zinc/03/97/68/275039768.db2.gz OJPMFVYMCXXWOO-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2c1CCCN2 ZINC000415037515 275040023 /nfs/dbraw/zinc/04/00/23/275040023.db2.gz OPDRATDWAJPSFS-UHFFFAOYSA-N 1 0 297.358 3.243 20 5 CGBDRO CCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000302184785 275992581 /nfs/dbraw/zinc/99/25/81/275992581.db2.gz OYTXBGUMHVFNCA-UHFFFAOYSA-N 1 0 259.309 3.298 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000277309042 276002170 /nfs/dbraw/zinc/00/21/70/276002170.db2.gz SLZQNUIHMCJEBD-JSGCOSHPSA-N 1 0 280.393 3.215 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301787767 276118287 /nfs/dbraw/zinc/11/82/87/276118287.db2.gz MQKGHKSHCVPONX-SECBINFHSA-N 1 0 287.310 3.015 20 5 CGBDRO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270768947 276136411 /nfs/dbraw/zinc/13/64/11/276136411.db2.gz LCJGRHOXHLUBMZ-OLZOCXBDSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354355548 276394337 /nfs/dbraw/zinc/39/43/37/276394337.db2.gz VNGIROIMEZMROV-WCQYABFASA-N 1 0 295.358 3.043 20 5 CGBDRO CC[C@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278978448 276650127 /nfs/dbraw/zinc/65/01/27/276650127.db2.gz CTHQURDNONWZBU-ZBFHGGJFSA-N 1 0 292.379 3.068 20 5 CGBDRO C[NH+](C)[C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292904860 276870453 /nfs/dbraw/zinc/87/04/53/276870453.db2.gz BZIQLRFOQDQRSZ-NSHDSACASA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000397607255 288025085 /nfs/dbraw/zinc/02/50/85/288025085.db2.gz BFFYJWJLTZXOJY-FZMZJTMJSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccs1 ZINC000414223461 278298809 /nfs/dbraw/zinc/29/88/09/278298809.db2.gz OSYGNXAVWRSQHO-QWRGUYRKSA-N 1 0 291.376 3.333 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000397808340 288030980 /nfs/dbraw/zinc/03/09/80/288030980.db2.gz SHSUNJAVYQXHGF-YPMHNXCESA-N 1 0 262.353 3.427 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562051 288052649 /nfs/dbraw/zinc/05/26/49/288052649.db2.gz LWNDTSBUTZOTRE-PWSUYJOCSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278789396 278923454 /nfs/dbraw/zinc/92/34/54/278923454.db2.gz QGHQQPDIRSAGPY-PVXIVEMSSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000268427600 279101735 /nfs/dbraw/zinc/10/17/35/279101735.db2.gz ANFOVGQHNRKEOI-UHFFFAOYSA-N 1 0 292.383 3.019 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000128904234 279101891 /nfs/dbraw/zinc/10/18/91/279101891.db2.gz GSDIPABBDVOYGK-LBPRGKRZSA-N 1 0 294.399 3.221 20 5 CGBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433237109 279581064 /nfs/dbraw/zinc/58/10/64/279581064.db2.gz UCAWEWWISUDUTK-ZIBATOQPSA-N 1 0 292.379 3.066 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000356787881 281023604 /nfs/dbraw/zinc/02/36/04/281023604.db2.gz VJQIHPQGIMZSBC-IHRRRGAJSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccccc1C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000533801616 288394934 /nfs/dbraw/zinc/39/49/34/288394934.db2.gz HONDYQKLICNITH-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000537452716 288530619 /nfs/dbraw/zinc/53/06/19/288530619.db2.gz XQGQWOHOIONLAJ-LLVKDONJSA-N 1 0 260.337 3.496 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000550900867 289090350 /nfs/dbraw/zinc/09/03/50/289090350.db2.gz VLIODSFYNFSPSL-CQSZACIVSA-N 1 0 260.337 3.492 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]CC2Cc3ccccc3C2)c1 ZINC000562199881 289681964 /nfs/dbraw/zinc/68/19/64/289681964.db2.gz AGHWYSPNYUZFNH-UHFFFAOYSA-N 1 0 296.370 3.142 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451999618 290367982 /nfs/dbraw/zinc/36/79/82/290367982.db2.gz AVURKGGKSCTESW-JTQLQIEISA-N 1 0 266.316 3.497 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CC=CCC1 ZINC000563637212 322005072 /nfs/dbraw/zinc/00/50/72/322005072.db2.gz MRMYJJWVCWHKNI-SMDDNHRTSA-N 1 0 258.321 3.280 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000569354818 322244441 /nfs/dbraw/zinc/24/44/41/322244441.db2.gz XNJSHBVTOROUMM-MRXNPFEDSA-N 1 0 297.358 3.118 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000571939738 322312541 /nfs/dbraw/zinc/31/25/41/322312541.db2.gz OTDPWSCRTDYUBX-CQSZACIVSA-N 1 0 276.336 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](CC3CC3)C2)cc1 ZINC000580531040 335104768 /nfs/dbraw/zinc/10/47/68/335104768.db2.gz PRUIGDUJKKUPMW-CQSZACIVSA-N 1 0 290.363 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000177549689 335374362 /nfs/dbraw/zinc/37/43/62/335374362.db2.gz VAGZVHOBRKTSQS-KBPBESRZSA-N 1 0 260.337 3.217 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000578215743 335580950 /nfs/dbraw/zinc/58/09/50/335580950.db2.gz IJPKWBIKHQHQPM-BAESOJJISA-N 1 0 292.379 3.305 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261847 336123114 /nfs/dbraw/zinc/12/31/14/336123114.db2.gz LNVMFJQSPINPQT-QMTHXVAHSA-N 1 0 266.316 3.354 20 5 CGBDRO COc1cc(C[N@@H+]2CC(C)(C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000412041564 533797729 /nfs/dbraw/zinc/79/77/29/533797729.db2.gz LTCRUIFEOZFYLY-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000358194945 533947834 /nfs/dbraw/zinc/94/78/34/533947834.db2.gz UEZVPURUIUCGFJ-GHMZBOCLSA-N 1 0 266.366 3.059 20 5 CGBDRO Cc1c([C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499750 533949468 /nfs/dbraw/zinc/94/94/68/533949468.db2.gz JORXGUZBENBQCW-DOMZBBRYSA-N 1 0 291.395 3.071 20 5 CGBDRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348263 534260298 /nfs/dbraw/zinc/26/02/98/534260298.db2.gz LDQVBFOPZHPNDV-RYUDHWBXSA-N 1 0 274.320 3.470 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774249 521685101 /nfs/dbraw/zinc/68/51/01/521685101.db2.gz DTDXVRJTJBGAQY-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO COC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000086696866 522746732 /nfs/dbraw/zinc/74/67/32/522746732.db2.gz NJMVUKAXXWBZPW-ZDUSSCGKSA-N 1 0 286.759 3.009 20 5 CGBDRO Cc1cccnc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449068191 534849525 /nfs/dbraw/zinc/84/95/25/534849525.db2.gz ALIZCPKZLCWRHH-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1ccco1 ZINC000050443588 527333055 /nfs/dbraw/zinc/33/30/55/527333055.db2.gz UURIGHGCMFXKLI-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3sccc3C2)cc1 ZINC000049332449 527346893 /nfs/dbraw/zinc/34/68/93/527346893.db2.gz YBIXOIFKEPYERR-UHFFFAOYSA-N 1 0 288.372 3.257 20 5 CGBDRO CC(C)CCC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000352707756 527703616 /nfs/dbraw/zinc/70/36/16/527703616.db2.gz SPDMQBPVKZBUHT-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155811 528398235 /nfs/dbraw/zinc/39/82/35/528398235.db2.gz MGNVWHRSDUFPHS-STQMWFEESA-N 1 0 264.369 3.408 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000449400002 529247615 /nfs/dbraw/zinc/24/76/15/529247615.db2.gz GMIUCLWWRVYRGM-YIBPYUTOSA-N 1 0 292.379 3.259 20 5 CGBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000493533215 534928860 /nfs/dbraw/zinc/92/88/60/534928860.db2.gz WTPAPIJYGPENTL-QWHCGFSZSA-N 1 0 294.399 3.023 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948101 572840806 /nfs/dbraw/zinc/84/08/06/572840806.db2.gz BKLUEQNJXIKMDG-GXFFZTMASA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1c2ccccc2C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072655 573079038 /nfs/dbraw/zinc/07/90/38/573079038.db2.gz PWBAGJLSGFHAFB-PXAZEXFGSA-N 1 0 298.342 3.205 20 5 CGBDRO Cc1nn(C[N@@H+](C)CC(C)(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000121205417 618071135 /nfs/dbraw/zinc/07/11/35/618071135.db2.gz KQYDFLFQNGROEP-UHFFFAOYSA-N 1 0 290.367 3.188 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1(CO)CCCCC1 ZINC000093632894 618214727 /nfs/dbraw/zinc/21/47/27/618214727.db2.gz GOODRYXZMTWVNO-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCSC[C@@H]2C2CC2)cc1 ZINC000933916096 618377902 /nfs/dbraw/zinc/37/79/02/618377902.db2.gz OHRKTEYIQAMATH-OAHLLOKOSA-N 1 0 292.404 3.312 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000934239931 618559427 /nfs/dbraw/zinc/55/94/27/618559427.db2.gz SNPSZMNNXULVQQ-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO CC[N@H+](CC(N)=O)Cc1c2ccccc2cc2ccccc21 ZINC000188072283 618686191 /nfs/dbraw/zinc/68/61/91/618686191.db2.gz CKYBYEOJIPMCOQ-UHFFFAOYSA-N 1 0 292.382 3.300 20 5 CGBDRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000219158853 618717186 /nfs/dbraw/zinc/71/71/86/618717186.db2.gz OJPYQUMWVGBMOY-MRVPVSSYSA-N 1 0 294.298 3.498 20 5 CGBDRO CC(C)C[NH+](CC(C)C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351177 618808938 /nfs/dbraw/zinc/80/89/38/618808938.db2.gz DWLDGJDBQJEGDL-MRXNPFEDSA-N 1 0 294.395 3.242 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000311463843 618909944 /nfs/dbraw/zinc/90/99/44/618909944.db2.gz OYNRBHYBTWYSDQ-GFCCVEGCSA-N 1 0 280.393 3.136 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000111290737 619191281 /nfs/dbraw/zinc/19/12/81/619191281.db2.gz QSTTUNPEKDPCLW-JTQLQIEISA-N 1 0 299.321 3.286 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)O1 ZINC000840962688 619282105 /nfs/dbraw/zinc/28/21/05/619282105.db2.gz DXWKCIORLIMIQM-JFGNBEQYSA-N 1 0 298.770 3.151 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000049094095 619694394 /nfs/dbraw/zinc/69/43/94/619694394.db2.gz XREYEILLSFGHCR-GHMZBOCLSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461129 620340161 /nfs/dbraw/zinc/34/01/61/620340161.db2.gz LMYDXIIZUWDCMY-UXOAXIEHSA-N 1 0 274.364 3.477 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000897466021 620340742 /nfs/dbraw/zinc/34/07/42/620340742.db2.gz MJRHAZUMZMWPEJ-QWHCGFSZSA-N 1 0 285.347 3.444 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897469146 620341785 /nfs/dbraw/zinc/34/17/85/620341785.db2.gz FAXKQAHECXCMLM-LLVKDONJSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000897469758 620342150 /nfs/dbraw/zinc/34/21/50/620342150.db2.gz PZKBDZQJJCQAAA-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000147661252 620343324 /nfs/dbraw/zinc/34/33/24/620343324.db2.gz WSOTWZZPDVHQCG-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897953074 620454457 /nfs/dbraw/zinc/45/44/57/620454457.db2.gz MIUUYRKAPSNPGP-IZWXPINPSA-N 1 0 272.348 3.386 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000897960114 620456889 /nfs/dbraw/zinc/45/68/89/620456889.db2.gz ZCZDKUXNUFXKHU-HKCMKHECSA-N 1 0 272.348 3.360 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000901702722 620993564 /nfs/dbraw/zinc/99/35/64/620993564.db2.gz YJZVBOHYQWHABA-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000042555316 621176904 /nfs/dbraw/zinc/17/69/04/621176904.db2.gz MDDWBFVJPPNZKK-UWVGGRQHSA-N 1 0 254.305 3.258 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903193549 621621124 /nfs/dbraw/zinc/62/11/24/621621124.db2.gz FRUITXKNSSDAMU-PKFCDNJMSA-N 1 0 296.392 3.148 20 5 CGBDRO COCCC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245439 621637352 /nfs/dbraw/zinc/63/73/52/621637352.db2.gz MBLJGDACLUNDQO-QWHCGFSZSA-N 1 0 280.368 3.103 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000903288262 621671657 /nfs/dbraw/zinc/67/16/57/621671657.db2.gz VIJDPWSDFMBRSJ-DFBGVHRSSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903288203 621671878 /nfs/dbraw/zinc/67/18/78/621671878.db2.gz UVFQNKFJXZIYSC-IAQYHMDHSA-N 1 0 283.331 3.328 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000903318916 621673936 /nfs/dbraw/zinc/67/39/36/621673936.db2.gz SLTQIXFPXNZKGW-HKCMKHECSA-N 1 0 292.354 3.443 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903309634 621681937 /nfs/dbraw/zinc/68/19/37/621681937.db2.gz FXJHGQBNRBGYRP-BDAKNGLRSA-N 1 0 292.364 3.045 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C/C=C/Cl)cc1[N+](=O)[O-] ZINC000903444324 621755424 /nfs/dbraw/zinc/75/54/24/621755424.db2.gz ORFJKSXCOBWIJB-LJJSCBMDSA-N 1 0 284.743 3.397 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC3(CCCC3)C2)cs1 ZINC000174271753 623378252 /nfs/dbraw/zinc/37/82/52/623378252.db2.gz WNEAIKJQKIHPPT-UHFFFAOYSA-N 1 0 266.366 3.422 20 5 CGBDRO CC[N@H+](CC(C)C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179543680 624663719 /nfs/dbraw/zinc/66/37/19/624663719.db2.gz TXRYHKRNWCYMKI-UHFFFAOYSA-N 1 0 290.367 3.188 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000922842862 626056206 /nfs/dbraw/zinc/05/62/06/626056206.db2.gz NPLLBDIHZDKSJP-YPMHNXCESA-N 1 0 280.393 3.277 20 5 CGBDRO C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000922844397 626056667 /nfs/dbraw/zinc/05/66/67/626056667.db2.gz WVVJSGZFUFSAET-WPRPVWTQSA-N 1 0 272.395 3.030 20 5 CGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000923025311 626121086 /nfs/dbraw/zinc/12/10/86/626121086.db2.gz MTYKEJIYTIZOBU-QGZVFWFLSA-N 1 0 298.342 3.382 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H]1C ZINC000752091457 626418817 /nfs/dbraw/zinc/41/88/17/626418817.db2.gz IIXPKGFAJYJWRD-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840823504 626758770 /nfs/dbraw/zinc/75/87/70/626758770.db2.gz ZVNCNAXOWAGUOH-WUWHUORYSA-N 1 0 275.352 3.016 20 5 CGBDRO Cc1ncc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000773081113 627852000 /nfs/dbraw/zinc/85/20/00/627852000.db2.gz KQYGAIXDHSSSOI-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO C[NH+](C)CCN(Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000774535067 628003122 /nfs/dbraw/zinc/00/31/22/628003122.db2.gz XRGVYHJTVYRGDZ-UHFFFAOYSA-N 1 0 299.374 3.163 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275052 628187798 /nfs/dbraw/zinc/18/77/98/628187798.db2.gz FSHMPIRBJGLTHG-WQVCFCJDSA-N 1 0 292.379 3.139 20 5 CGBDRO C[N@H+](CC[C@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000783514178 628720235 /nfs/dbraw/zinc/72/02/35/628720235.db2.gz MHWVSOWZZVGMTC-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783640900 628734612 /nfs/dbraw/zinc/73/46/12/628734612.db2.gz LEMVRHHFBIAJPT-PWSUYJOCSA-N 1 0 298.770 3.153 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCCCO ZINC000786820370 628965114 /nfs/dbraw/zinc/96/51/14/628965114.db2.gz HRINYVCBUJXXMR-KAMYIIQDSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788528295 629062766 /nfs/dbraw/zinc/06/27/66/629062766.db2.gz QQWIKQFOOMXFLW-SECBINFHSA-N 1 0 277.349 3.089 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788628776 629070012 /nfs/dbraw/zinc/07/00/12/629070012.db2.gz PEBKYKXUYQEWPQ-YGRLFVJLSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788803567 629083170 /nfs/dbraw/zinc/08/31/70/629083170.db2.gz GNUUIDXWRBEUCG-GRYCIOLGSA-N 1 0 277.368 3.264 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@@H]2CCc3ccccc32)c1 ZINC000790052405 629180704 /nfs/dbraw/zinc/18/07/04/629180704.db2.gz FUSVIFAKEVRKHU-INIZCTEOSA-N 1 0 296.370 3.457 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000797905986 630000726 /nfs/dbraw/zinc/00/07/26/630000726.db2.gz SGSNFDFIICOCRZ-KBPBESRZSA-N 1 0 260.337 3.181 20 5 CGBDRO CCN(CCC[NH+](C)C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804646946 630544729 /nfs/dbraw/zinc/54/47/29/630544729.db2.gz YWAISYKKJZRAPX-UHFFFAOYSA-N 1 0 285.775 3.026 20 5 CGBDRO COCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814178482 631539776 /nfs/dbraw/zinc/53/97/76/631539776.db2.gz RJMGIAFDJZFGGG-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567439 631796953 /nfs/dbraw/zinc/79/69/53/631796953.db2.gz YCHWHPJRAOQJEG-VXGBXAGGSA-N 1 0 275.352 3.184 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815623466 631807468 /nfs/dbraw/zinc/80/74/68/631807468.db2.gz YMLPDWIOWSZFJW-MDZLAQPJSA-N 1 0 277.368 3.264 20 5 CGBDRO COC(C)(C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000865754476 632878230 /nfs/dbraw/zinc/87/82/30/632878230.db2.gz JWASSUYOAQFPNX-RAXLEYEMSA-N 1 0 292.379 3.403 20 5 CGBDRO CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000865787703 632891800 /nfs/dbraw/zinc/89/18/00/632891800.db2.gz RGYUHUIYIZOIRA-GJZGRUSLSA-N 1 0 292.379 3.198 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866238783 633039161 /nfs/dbraw/zinc/03/91/61/633039161.db2.gz PJSCTGRNALPDSG-LBPRGKRZSA-N 1 0 298.358 3.071 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)CC1 ZINC000866302496 633072333 /nfs/dbraw/zinc/07/23/33/633072333.db2.gz HWWDQEQQWZRHDN-SNVBAGLBSA-N 1 0 266.316 3.055 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866365481 633103988 /nfs/dbraw/zinc/10/39/88/633103988.db2.gz HMHVGHLCLZQLEZ-FZMZJTMJSA-N 1 0 298.358 3.070 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000866581949 633201746 /nfs/dbraw/zinc/20/17/46/633201746.db2.gz FSGRGWJPEOGDEH-XBFCOCLRSA-N 1 0 292.404 3.341 20 5 CGBDRO CC/C=C\C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824701725 633276151 /nfs/dbraw/zinc/27/61/51/633276151.db2.gz AKRZVOMFYFEXJT-ARJAWSKDSA-N 1 0 289.379 3.119 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CF)C1 ZINC000880299777 635969818 /nfs/dbraw/zinc/96/98/18/635969818.db2.gz XSYPUCAFHBIJDC-NEPJUHHUSA-N 1 0 266.316 3.256 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872026392 633945966 /nfs/dbraw/zinc/94/59/66/633945966.db2.gz ADMLAPVPXRIMLO-XPKDYRNWSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@H](C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031541 633950759 /nfs/dbraw/zinc/95/07/59/633950759.db2.gz QKBMUEOAKLGASP-MNOVXSKESA-N 1 0 298.408 3.392 20 5 CGBDRO CC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872037349 633957074 /nfs/dbraw/zinc/95/70/74/633957074.db2.gz DOBBUBQONJDUJQ-QWRGUYRKSA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039227 633959112 /nfs/dbraw/zinc/95/91/12/633959112.db2.gz DUFJNFBULHRMHM-IJLUTSLNSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044313 633968302 /nfs/dbraw/zinc/96/83/02/633968302.db2.gz TZQNXSKPECVPPG-UTUOFQBUSA-N 1 0 296.342 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000872047637 633970984 /nfs/dbraw/zinc/97/09/84/633970984.db2.gz FYKPZYQYBUGLEE-VHSXEESVSA-N 1 0 298.433 3.473 20 5 CGBDRO CCC(=O)CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539419 633973048 /nfs/dbraw/zinc/97/30/48/633973048.db2.gz RFJJGBGXYSUDFP-CQSZACIVSA-N 1 0 290.363 3.143 20 5 CGBDRO CC(C)[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)O ZINC000872067385 633989399 /nfs/dbraw/zinc/98/93/99/633989399.db2.gz YFIOTZWZCYMHQD-YGRLFVJLSA-N 1 0 298.358 3.180 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CS[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080170 634004038 /nfs/dbraw/zinc/00/40/38/634004038.db2.gz TUMQOIWCYLKPGS-OPRDCNLKSA-N 1 0 284.356 3.279 20 5 CGBDRO C[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084028 634009478 /nfs/dbraw/zinc/00/94/78/634009478.db2.gz CRYBUMDCKBTFML-WDEREUQCSA-N 1 0 294.326 3.096 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088311 634014827 /nfs/dbraw/zinc/01/48/27/634014827.db2.gz PTTZSYWHMDEURW-IUCAKERBSA-N 1 0 288.269 3.430 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872128336 634049529 /nfs/dbraw/zinc/04/95/29/634049529.db2.gz MAVVGVZJLZZJBI-WOSRLPQWSA-N 1 0 292.379 3.449 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000872129522 634050209 /nfs/dbraw/zinc/05/02/09/634050209.db2.gz HOLVKPCKUZLHAN-UPJWGTAASA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000873069564 634240638 /nfs/dbraw/zinc/24/06/38/634240638.db2.gz KBZCTWLHCUWOKK-CYBMUJFWSA-N 1 0 299.374 3.500 20 5 CGBDRO COCCC(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873105399 634246885 /nfs/dbraw/zinc/24/68/85/634246885.db2.gz VLYZKYPPBXCTMX-UHFFFAOYSA-N 1 0 294.395 3.364 20 5 CGBDRO COCC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000873128487 634251902 /nfs/dbraw/zinc/25/19/02/634251902.db2.gz QVKLAIIWMXMPEY-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO C[C@@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000873296918 634324099 /nfs/dbraw/zinc/32/40/99/634324099.db2.gz NTPAFOGNHKOGKX-LYRGGWFBSA-N 1 0 297.358 3.390 20 5 CGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(C)CC1 ZINC000876975867 634942022 /nfs/dbraw/zinc/94/20/22/634942022.db2.gz FOMRHQOQSNWETM-SECBINFHSA-N 1 0 275.308 3.014 20 5 CGBDRO C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208003 635415033 /nfs/dbraw/zinc/41/50/33/635415033.db2.gz OZFUBCCOWANEOH-WDEREUQCSA-N 1 0 298.770 3.105 20 5 CGBDRO C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208000 635415430 /nfs/dbraw/zinc/41/54/30/635415430.db2.gz OZFUBCCOWANEOH-GHMZBOCLSA-N 1 0 298.770 3.105 20 5 CGBDRO CCC[NH2+][C@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843188135 635604731 /nfs/dbraw/zinc/60/47/31/635604731.db2.gz ZMMLXGYONBMDPV-SNVBAGLBSA-N 1 0 290.323 3.014 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000879697021 635836976 /nfs/dbraw/zinc/83/69/76/635836976.db2.gz QULPGBXPWGJXNP-UHFFFAOYSA-N 1 0 280.368 3.014 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112605 636145911 /nfs/dbraw/zinc/14/59/11/636145911.db2.gz SKIVKAMVLGHPMR-HLIIYUEKSA-N 1 0 294.301 3.195 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848546699 636600240 /nfs/dbraw/zinc/60/02/40/636600240.db2.gz CLXWAXFCPNUXNY-GYSYKLTISA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1C=CCC1 ZINC000883239235 636608905 /nfs/dbraw/zinc/60/89/05/636608905.db2.gz ZUGVKDSNDSANRW-QGOGUYACSA-N 1 0 258.321 3.164 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000883245619 636613904 /nfs/dbraw/zinc/61/39/04/636613904.db2.gz OMTHPLISOVTPQQ-GHMZBOCLSA-N 1 0 264.300 3.351 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000883356253 636696968 /nfs/dbraw/zinc/69/69/68/636696968.db2.gz JRHRZWXDUQCXSO-DOMZBBRYSA-N 1 0 290.363 3.347 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000850467915 637078681 /nfs/dbraw/zinc/07/86/81/637078681.db2.gz AVIHDXXGSCFVJF-QMTHXVAHSA-N 1 0 278.352 3.443 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C=CCC1)C1CC1 ZINC000850506437 637094451 /nfs/dbraw/zinc/09/44/51/637094451.db2.gz AWTJWBPHKVHBMZ-CABCVRRESA-N 1 0 272.348 3.224 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850551348 637117852 /nfs/dbraw/zinc/11/78/52/637117852.db2.gz HDGPVQQIDPUQNK-PRHODGIISA-N 1 0 299.321 3.119 20 5 CGBDRO CC[C@H]1CCCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886019157 637367338 /nfs/dbraw/zinc/36/73/38/637367338.db2.gz MPMQDODEIOWKFJ-ZDUSSCGKSA-N 1 0 263.341 3.144 20 5 CGBDRO CC(C)CC[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886044387 637384099 /nfs/dbraw/zinc/38/40/99/637384099.db2.gz WAIHEPPRGNXUGQ-CQSZACIVSA-N 1 0 277.368 3.390 20 5 CGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043889 637384124 /nfs/dbraw/zinc/38/41/24/637384124.db2.gz LYKUCZZVUYGZTC-TZMCWYRMSA-N 1 0 277.368 3.390 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCCC12CCC2 ZINC000851990503 637565818 /nfs/dbraw/zinc/56/58/18/637565818.db2.gz SVBYZFXUKGYKPY-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1CN1C[C@@H]2CCCC[C@@H]21 ZINC000852220298 637619540 /nfs/dbraw/zinc/61/95/40/637619540.db2.gz MBBISEDNJSLASC-GWCFXTLKSA-N 1 0 264.300 3.108 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000886646901 637626452 /nfs/dbraw/zinc/62/64/52/637626452.db2.gz WZOXXHZOLDUCDJ-CQSZACIVSA-N 1 0 283.331 3.075 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886716117 637669217 /nfs/dbraw/zinc/66/92/17/637669217.db2.gz OPGFWEYADBSOLY-DOMZBBRYSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886716413 637669700 /nfs/dbraw/zinc/66/97/00/637669700.db2.gz YAOPWNTUPHCECV-IUODEOHRSA-N 1 0 292.379 3.451 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C[C@H]1CC1(C)C ZINC000852773065 637709722 /nfs/dbraw/zinc/70/97/22/637709722.db2.gz VNORKDRTVUGYFZ-LLVKDONJSA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000853411408 637838176 /nfs/dbraw/zinc/83/81/76/637838176.db2.gz LHXPVFWFGXJNST-QWRGUYRKSA-N 1 0 283.397 3.249 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858593675 638999152 /nfs/dbraw/zinc/99/91/52/638999152.db2.gz GXGWKCHDSNAEOO-YPMHNXCESA-N 1 0 289.379 3.408 20 5 CGBDRO C[C@H](NCc1c(F)cccc1[N+](=O)[O-])c1cncs1 ZINC000934199001 639556311 /nfs/dbraw/zinc/55/63/11/639556311.db2.gz RJZBGQMAYAPUPK-QMMMGPOBSA-N 1 0 281.312 3.041 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](c2ccncc2)C2CC2)c1 ZINC000934686363 639657486 /nfs/dbraw/zinc/65/74/86/639657486.db2.gz LBDFUXXAYKMDEP-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000158432392 640005274 /nfs/dbraw/zinc/00/52/74/640005274.db2.gz AUVZPQAAGVOTAA-NXEZZACHSA-N 1 0 299.321 3.427 20 5 CGBDRO CCC[NH+](CCC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774155 640802197 /nfs/dbraw/zinc/80/21/97/640802197.db2.gz KABRJBFHJPMWQS-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000094774246 640802585 /nfs/dbraw/zinc/80/25/85/640802585.db2.gz GYPSUTFLWKGFCO-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO Cc1nc(-n2ccc3cc([C@H](C)[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001155341106 805574297 /nfs/dbraw/zinc/57/42/97/805574297.db2.gz UVBYISHBISDZJY-JTQLQIEISA-N 1 0 296.330 3.262 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(O)cc1 ZINC001254536768 806445092 /nfs/dbraw/zinc/44/50/92/806445092.db2.gz SVPNOAVBEZUYRK-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254533037 806445273 /nfs/dbraw/zinc/44/52/73/806445273.db2.gz IYUZTSZCLWLRFH-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ncccc21 ZINC001254542426 806446770 /nfs/dbraw/zinc/44/67/70/806446770.db2.gz NBYXTJHLPBCGNZ-LRDDRELGSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)CC(F)(F)C2 ZINC001254550637 806447795 /nfs/dbraw/zinc/44/77/95/806447795.db2.gz NSTZLBASJQZJSN-NSHDSACASA-N 1 0 296.317 3.257 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccn1 ZINC001254550133 806448321 /nfs/dbraw/zinc/44/83/21/806448321.db2.gz DFMQSPRBOLPBLP-CYBMUJFWSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001254550556 806448462 /nfs/dbraw/zinc/44/84/62/806448462.db2.gz LRYIYPQUYKQCOS-QWHCGFSZSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C(C)(C)C ZINC001254562582 806452000 /nfs/dbraw/zinc/45/20/00/806452000.db2.gz NMVFWNKCNGPUDO-LLVKDONJSA-N 1 0 250.342 3.256 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCCc1ccccc1)C2 ZINC001254566071 806452675 /nfs/dbraw/zinc/45/26/75/806452675.db2.gz HKWXQHDZQXSPAC-QGZVFWFLSA-N 1 0 296.370 3.284 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254567420 806453209 /nfs/dbraw/zinc/45/32/09/806453209.db2.gz NRDBHJYQJVJTEX-QGZVFWFLSA-N 1 0 296.370 3.203 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254571880 806454534 /nfs/dbraw/zinc/45/45/34/806454534.db2.gz COQJIUQVGWCKKU-NHYWBVRUSA-N 1 0 298.342 3.118 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577728 806454604 /nfs/dbraw/zinc/45/46/04/806454604.db2.gz GOHVRDPHVGMSMU-UKRRQHHQSA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)C2 ZINC001254578468 806454799 /nfs/dbraw/zinc/45/47/99/806454799.db2.gz LTBJKLCOUDEEMK-BPQIPLTHSA-N 1 0 294.354 3.208 20 5 CGBDRO CC1(C)CC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588391 806455701 /nfs/dbraw/zinc/45/57/01/806455701.db2.gz FGDKSOIYPVQSJT-AWEZNQCLSA-N 1 0 274.364 3.088 20 5 CGBDRO C[C@@H]1CC[C@H](C)[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590039 806457349 /nfs/dbraw/zinc/45/73/49/806457349.db2.gz SYNVLYBTCBZLGE-FJXFWJLJSA-N 1 0 274.364 3.086 20 5 CGBDRO C[C@@H]1C[C@@H](CNc2cc3cccnc3c3ncccc23)C[NH2+]1 ZINC001162559324 806619640 /nfs/dbraw/zinc/61/96/40/806619640.db2.gz KYTBFYPBLRWMRD-CHWSQXEVSA-N 1 0 292.386 3.193 20 5 CGBDRO Cc1cccc(N[C@@H]2CC[NH2+][C@H]2c2ccccc2)c1[N+](=O)[O-] ZINC001163212403 806723446 /nfs/dbraw/zinc/72/34/46/806723446.db2.gz UZXGHQCGHCRBBB-ZBFHGGJFSA-N 1 0 297.358 3.418 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1C[NH2+]Cc2ccsc21 ZINC001163226561 806728695 /nfs/dbraw/zinc/72/86/95/806728695.db2.gz JEVPLHIKVSINOP-LLVKDONJSA-N 1 0 289.360 3.221 20 5 CGBDRO Cc1c(C[NH2+]CC[C@@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000691630361 799787179 /nfs/dbraw/zinc/78/71/79/799787179.db2.gz FQIWRGRSBCMKCH-LLVKDONJSA-N 1 0 270.279 3.038 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000692868427 799801381 /nfs/dbraw/zinc/80/13/81/799801381.db2.gz PJGHRPHQFOHATR-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1C=CCC1 ZINC000698284725 799855178 /nfs/dbraw/zinc/85/51/78/799855178.db2.gz PAKCBVRZSFQYIU-NSHDSACASA-N 1 0 252.701 3.056 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1=CCCC1 ZINC000702327569 799908648 /nfs/dbraw/zinc/90/86/48/799908648.db2.gz ZROQKLZIZIPXLD-UHFFFAOYSA-N 1 0 266.728 3.448 20 5 CGBDRO C[N@H+](CCCF)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000716638879 800177815 /nfs/dbraw/zinc/17/78/15/800177815.db2.gz CDRDLJNBHZJXJR-UHFFFAOYSA-N 1 0 260.696 3.040 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)C(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000720258814 800254982 /nfs/dbraw/zinc/25/49/82/800254982.db2.gz RBZNWTZUCCVIFU-FZMZJTMJSA-N 1 0 280.368 3.449 20 5 CGBDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000721193232 800280179 /nfs/dbraw/zinc/28/01/79/800280179.db2.gz HBDRKXOKFCOASZ-KBPBESRZSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1c(C)n(-c2cccnc2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163761186 806819206 /nfs/dbraw/zinc/81/92/06/806819206.db2.gz HKIQYIXEAUXYEW-UHFFFAOYSA-N 1 0 296.330 3.009 20 5 CGBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000724639666 800364816 /nfs/dbraw/zinc/36/48/16/800364816.db2.gz LOCJMSVEWSVXCX-CZXHOFHRSA-N 1 0 278.352 3.201 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903130127 800594212 /nfs/dbraw/zinc/59/42/12/800594212.db2.gz BDAUIWAMLRQDSM-PWSUYJOCSA-N 1 0 298.408 3.396 20 5 CGBDRO Cc1cc(Nc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001248590381 804958994 /nfs/dbraw/zinc/95/89/94/804958994.db2.gz KFEGSNOFBHBVEW-UHFFFAOYSA-N 1 0 263.684 3.117 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1Cl ZINC001168961855 807541883 /nfs/dbraw/zinc/54/18/83/807541883.db2.gz KHVYNNFFWKPZOB-SRVKXCTJSA-N 1 0 282.771 3.436 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001168957403 807541910 /nfs/dbraw/zinc/54/19/10/807541910.db2.gz HHRYWYDLQYUSGU-DUVNUKRYSA-N 1 0 274.364 3.099 20 5 CGBDRO Cc1ccc(CCC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168963617 807542609 /nfs/dbraw/zinc/54/26/09/807542609.db2.gz PBRSNERSOQIRPF-STQMWFEESA-N 1 0 282.409 3.024 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168965572 807542872 /nfs/dbraw/zinc/54/28/72/807542872.db2.gz ARSFOMXZDPRZRQ-UGFHNGPFSA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC001168967450 807543669 /nfs/dbraw/zinc/54/36/69/807543669.db2.gz PQTKZQQDXKBBNL-ONGXEEELSA-N 1 0 286.734 3.014 20 5 CGBDRO CC(C)(Cc1ccc(F)cc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968179 807544092 /nfs/dbraw/zinc/54/40/92/807544092.db2.gz XGMKVHQZYXCOAS-UKRRQHHQSA-N 1 0 294.370 3.182 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCc2coc3ccccc23)C1 ZINC001168977711 807545174 /nfs/dbraw/zinc/54/51/74/807545174.db2.gz LKHPEEGOUZJVBY-OCCSQVGLSA-N 1 0 288.347 3.010 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168983327 807547035 /nfs/dbraw/zinc/54/70/35/807547035.db2.gz JKBHZMYWKWRYDM-FOGDFJRCSA-N 1 0 284.306 3.061 20 5 CGBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984714 807547315 /nfs/dbraw/zinc/54/73/15/807547315.db2.gz QFDNZUWJKWPAAE-ZLDLUXBVSA-N 1 0 296.798 3.306 20 5 CGBDRO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168991996 807548048 /nfs/dbraw/zinc/54/80/48/807548048.db2.gz IVNNHYPKVLWTEV-GDBMZVCRSA-N 1 0 290.407 3.351 20 5 CGBDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006779 807550481 /nfs/dbraw/zinc/55/04/81/807550481.db2.gz YWUXKDGPDNOHFW-QWRGUYRKSA-N 1 0 295.770 3.009 20 5 CGBDRO C[N@H+](Cc1ccccc1Cl)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027822 807554915 /nfs/dbraw/zinc/55/49/15/807554915.db2.gz QUBCKPAYELYQGG-YPMHNXCESA-N 1 0 282.771 3.217 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036397 807555878 /nfs/dbraw/zinc/55/58/78/807555878.db2.gz OBXZNSBUYPYZKQ-ABAIWWIYSA-N 1 0 294.782 3.144 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037250 807556159 /nfs/dbraw/zinc/55/61/59/807556159.db2.gz RLPMAMDYRJDYPX-JSGCOSHPSA-N 1 0 282.771 3.217 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC001169039775 807556846 /nfs/dbraw/zinc/55/68/46/807556846.db2.gz TUDIIPINMGDZNM-XPKDYRNWSA-N 1 0 292.354 3.060 20 5 CGBDRO COc1cc(C)c([N+](=O)[O-])cc1NC(C)(C)CC[NH+](C)C ZINC001169718067 807697549 /nfs/dbraw/zinc/69/75/49/807697549.db2.gz JRQLOSFSXJACHS-UHFFFAOYSA-N 1 0 295.383 3.054 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261481933 807748544 /nfs/dbraw/zinc/74/85/44/807748544.db2.gz VHQJDEABWQMCJA-MVWJERBFSA-N 1 0 281.331 3.108 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)C1CC1 ZINC001172896693 808474537 /nfs/dbraw/zinc/47/45/37/808474537.db2.gz REVWEVKWZBGPNC-XHDPSFHLSA-N 1 0 274.364 3.230 20 5 CGBDRO CC/C=C/[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173193740 808533787 /nfs/dbraw/zinc/53/37/87/808533787.db2.gz WOJCUFDJAFYZBN-YVFTVSHDSA-N 1 0 282.315 3.187 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001173210039 808537573 /nfs/dbraw/zinc/53/75/73/808537573.db2.gz GZASVYPGSAPHRM-FPMFFAJLSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(O)cc1 ZINC001173215099 808538757 /nfs/dbraw/zinc/53/87/57/808538757.db2.gz RZHOUOAIGAZHJQ-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO CCCCOCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218517 808540186 /nfs/dbraw/zinc/54/01/86/808540186.db2.gz PRXJHWZJWWNHFX-AWEZNQCLSA-N 1 0 294.395 3.322 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CCC2 ZINC001173226729 808541099 /nfs/dbraw/zinc/54/10/99/808541099.db2.gz YYUKHMORMKDLSX-SMDDNHRTSA-N 1 0 260.337 3.058 20 5 CGBDRO CC(C)C[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226703 808541169 /nfs/dbraw/zinc/54/11/69/808541169.db2.gz NMMUNJJNKWXHKG-GFCCVEGCSA-N 1 0 250.342 3.114 20 5 CGBDRO CCCO[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225734 808541214 /nfs/dbraw/zinc/54/12/14/808541214.db2.gz FRGUDFBKVIFGPH-CZUORRHYSA-N 1 0 292.379 3.027 20 5 CGBDRO CC[N@H+](Cc1ccncc1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226107 808541877 /nfs/dbraw/zinc/54/18/77/808541877.db2.gz LBSXVUPNBBXUCQ-AWEZNQCLSA-N 1 0 299.374 3.443 20 5 CGBDRO CC[N@H+](Cc1ccccn1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232897 808542616 /nfs/dbraw/zinc/54/26/16/808542616.db2.gz JBDYFUNSBKSNEO-CQSZACIVSA-N 1 0 299.374 3.443 20 5 CGBDRO Cc1occc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235299 808544840 /nfs/dbraw/zinc/54/48/40/808544840.db2.gz SCNHQTRNUJEYFL-LLVKDONJSA-N 1 0 274.320 3.217 20 5 CGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001191788944 810740276 /nfs/dbraw/zinc/74/02/76/810740276.db2.gz BVFFOCBFGHWEKU-GXTWGEPZSA-N 1 0 294.399 3.000 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC001195289373 811236901 /nfs/dbraw/zinc/23/69/01/811236901.db2.gz MAKVVOYLOQLAHS-QJPTWQEYSA-N 1 0 278.352 3.080 20 5 CGBDRO CCOc1cc(Nc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001204439577 812639244 /nfs/dbraw/zinc/63/92/44/812639244.db2.gz HLZQRJMBILXAET-UHFFFAOYSA-N 1 0 273.292 3.441 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC001204767379 812728778 /nfs/dbraw/zinc/72/87/78/812728778.db2.gz BKJYXNCRHSJWPJ-RYUDHWBXSA-N 1 0 262.353 3.299 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001217967149 816022170 /nfs/dbraw/zinc/02/21/70/816022170.db2.gz BSZIXHHPEXYILP-PXAZEXFGSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001217983375 816032513 /nfs/dbraw/zinc/03/25/13/816032513.db2.gz BKCCZAPTEGXBRP-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001217987743 816034914 /nfs/dbraw/zinc/03/49/14/816034914.db2.gz MZTSXFGYUBRCBM-NOZJJQNGSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1Cl ZINC001217987980 816035262 /nfs/dbraw/zinc/03/52/62/816035262.db2.gz JCIWWKWMHARTNI-MFKMUULPSA-N 1 0 298.770 3.324 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[NH2+]CC2)c2ccccc21 ZINC001217994211 816039862 /nfs/dbraw/zinc/03/98/62/816039862.db2.gz FSTRZFCZUQYCOX-LBPRGKRZSA-N 1 0 286.331 3.269 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001218030068 816065067 /nfs/dbraw/zinc/06/50/67/816065067.db2.gz PEZWHXOQDYHGLF-RNCFNFMXSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1C[C@H](Oc2cccc3nc4ccccc4nc32)CC[NH2+]1 ZINC001218055018 816077594 /nfs/dbraw/zinc/07/75/94/816077594.db2.gz GVEKRGZNEYVNMM-QWHCGFSZSA-N 1 0 293.370 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001218089505 816091016 /nfs/dbraw/zinc/09/10/16/816091016.db2.gz JKVVDIFWIBYNLW-UONOGXRCSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)ccc1Cl ZINC001218145337 816113497 /nfs/dbraw/zinc/11/34/97/816113497.db2.gz PJHNRPLKROEJGP-OLUVUFQESA-N 1 0 296.754 3.015 20 5 CGBDRO c1ccc2c(c1)nc(O[C@H]1CC[NH2+]C1)c1ccccc21 ZINC001218179673 816118513 /nfs/dbraw/zinc/11/85/13/816118513.db2.gz FHYIKFCBYCWXBY-LBPRGKRZSA-N 1 0 264.328 3.129 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218251511 816142003 /nfs/dbraw/zinc/14/20/03/816142003.db2.gz AQRNIMJOFSWXHE-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO CC(C)(C)c1ccc(O[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001218282097 816151857 /nfs/dbraw/zinc/15/18/57/816151857.db2.gz OKFGBILENQEFOD-LBPRGKRZSA-N 1 0 278.352 3.023 20 5 CGBDRO F[C@@H]1CC[NH2+]C[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218318662 816165337 /nfs/dbraw/zinc/16/53/37/816165337.db2.gz CCCLFDJLNOSAHI-WBVHZDCISA-N 1 0 296.345 3.467 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218385811 816185811 /nfs/dbraw/zinc/18/58/11/816185811.db2.gz LVIWMFHSPPBUKD-ZBEGNZNMSA-N 1 0 264.328 3.127 20 5 CGBDRO C[C@@H]1CC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C[NH2+]1 ZINC001218397348 816190671 /nfs/dbraw/zinc/19/06/71/816190671.db2.gz CXNDSLWQKAXDFJ-YPMHNXCESA-N 1 0 286.331 3.267 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC001218472173 816231041 /nfs/dbraw/zinc/23/10/41/816231041.db2.gz NTEJGHWLTOZVDB-GFCCVEGCSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218484731 816239753 /nfs/dbraw/zinc/23/97/53/816239753.db2.gz UNDSKAJTEYCPBO-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1cc(O[C@@H]2C[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC001218491147 816245456 /nfs/dbraw/zinc/24/54/56/816245456.db2.gz VXFHMFBDNDRCNY-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO [NH3+]CCNC(=O)CCc1c2ccccc2cc2ccccc21 ZINC001219868780 816278147 /nfs/dbraw/zinc/27/81/47/816278147.db2.gz QZGGSWIPAHHNJF-UHFFFAOYSA-N 1 0 292.382 3.001 20 5 CGBDRO Cc1ccc(CO[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001223227095 816592249 /nfs/dbraw/zinc/59/22/49/816592249.db2.gz ZWNWLFWSSFNRSH-HNNXBMFYSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1COC1CC[NH+](C(C)C)CC1 ZINC001223535215 816647121 /nfs/dbraw/zinc/64/71/21/816647121.db2.gz HGJARCBUAJGZPX-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(-n2cccc2)cc1 ZINC001223868222 816693890 /nfs/dbraw/zinc/69/38/90/816693890.db2.gz JERRRHDXYZOBJN-OAHLLOKOSA-N 1 0 273.400 3.089 20 5 CGBDRO C[C@H](OC1CC[NH+](CCF)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224021582 816721907 /nfs/dbraw/zinc/72/19/07/816721907.db2.gz AQYLTNJZKGJAFU-LBPRGKRZSA-N 1 0 296.342 3.106 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224770593 816878684 /nfs/dbraw/zinc/87/86/84/816878684.db2.gz CBZPJLCLHKPXKW-LLVKDONJSA-N 1 0 287.221 3.233 20 5 CGBDRO C[C@@H](OCCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001224991012 816923880 /nfs/dbraw/zinc/92/38/80/816923880.db2.gz LLAVMUWXGKWCBL-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(F)(F)F)ccc1F ZINC001225333279 817015763 /nfs/dbraw/zinc/01/57/63/817015763.db2.gz XKZQZNZDUKXQOO-VIFPVBQESA-N 1 0 280.285 3.318 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001225973113 817235245 /nfs/dbraw/zinc/23/52/45/817235245.db2.gz OMJILEOJRWJBKV-KRWDZBQOSA-N 1 0 298.342 3.345 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001226385676 817341811 /nfs/dbraw/zinc/34/18/11/817341811.db2.gz IVOGPDCMOCIUNY-HNNXBMFYSA-N 1 0 298.342 3.345 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001226509829 817379424 /nfs/dbraw/zinc/37/94/24/817379424.db2.gz VSOFQGYVBXLZLD-GFCCVEGCSA-N 1 0 289.355 3.222 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccno1 ZINC001226535470 817391020 /nfs/dbraw/zinc/39/10/20/817391020.db2.gz QPTUAEVGYVRWAQ-NSHDSACASA-N 1 0 295.790 3.469 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226810252 817472559 /nfs/dbraw/zinc/47/25/59/817472559.db2.gz LNOGBKJSSRWKIK-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c(O)cc1Cl ZINC001227644923 817687468 /nfs/dbraw/zinc/68/74/68/817687468.db2.gz DNEIGTVABMUKKY-QMMMGPOBSA-O 1 0 279.187 3.173 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228257103 817852751 /nfs/dbraw/zinc/85/27/51/817852751.db2.gz FTQYMFCIPHBDBL-AULYBMBSSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CC[NH+](C(C)C)CC1 ZINC001228570496 817940041 /nfs/dbraw/zinc/94/00/41/817940041.db2.gz DHSATJDMRRKXOA-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C)cc([N+](=O)[O-])c1 ZINC001228832756 818015149 /nfs/dbraw/zinc/01/51/49/818015149.db2.gz BYRUTKKHCSSBHU-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cc(F)cc1Cl ZINC001233834531 818715347 /nfs/dbraw/zinc/71/53/47/818715347.db2.gz WVZDKMLSKYQEOU-QMMMGPOBSA-N 1 0 264.723 3.092 20 5 CGBDRO CCOc1ccc(Cl)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234285862 818826822 /nfs/dbraw/zinc/82/68/22/818826822.db2.gz LJGIVUWXLNJNEQ-NSHDSACASA-N 1 0 272.796 3.212 20 5 CGBDRO Cc1cc(Cl)cc(C)c1O[C@@H](C)C[N+](C)(C)C ZINC001234351032 818843683 /nfs/dbraw/zinc/84/36/83/818843683.db2.gz FSYONJCCXUHQNO-LBPRGKRZSA-N 1 0 256.797 3.430 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCC(F)F ZINC001352034461 937033028 /nfs/dbraw/zinc/03/30/28/937033028.db2.gz RUBPSVMAQAVPPK-UTCJRWHESA-N 1 0 270.279 3.243 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230916424 928076012 /nfs/dbraw/zinc/07/60/12/928076012.db2.gz ZJBCULWOAAWETL-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC001459983903 937509214 /nfs/dbraw/zinc/50/92/14/937509214.db2.gz LVMSSBBQJGLLOE-MNOVXSKESA-N 1 0 288.351 3.092 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC001461667565 937590867 /nfs/dbraw/zinc/59/08/67/937590867.db2.gz JDFRCEVQHIWZSI-BWIRZDBDSA-N 1 0 292.404 3.482 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC001461861816 937602671 /nfs/dbraw/zinc/60/26/71/937602671.db2.gz RJKGQLFCBFYEOM-PWSUYJOCSA-N 1 0 262.353 3.442 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(=O)OC(C)(C)C)cc1 ZINC001229919087 932502737 /nfs/dbraw/zinc/50/27/37/932502737.db2.gz GSSDPPSCAXWIHB-ZDUSSCGKSA-N 1 0 294.415 3.115 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229976599 932515247 /nfs/dbraw/zinc/51/52/47/932515247.db2.gz ZURBKZGUGFACMU-SNVBAGLBSA-N 1 0 284.743 3.030 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001307616300 932977261 /nfs/dbraw/zinc/97/72/61/932977261.db2.gz JTJHRJOZYSMPQN-JSGCOSHPSA-N 1 0 292.379 3.369 20 5 CGBDRO CCC[C@@H](C)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001462550283 937649815 /nfs/dbraw/zinc/64/98/15/937649815.db2.gz YVEUGEFVHKGGAP-LLVKDONJSA-N 1 0 296.367 3.225 20 5 CGBDRO Cc1c(C[N@@H+]2CCCC[C@@]23CCOC3)cccc1[N+](=O)[O-] ZINC001308167928 933063140 /nfs/dbraw/zinc/06/31/40/933063140.db2.gz YUCNQYZNKDRYKQ-INIZCTEOSA-N 1 0 290.363 3.048 20 5 CGBDRO O=[N+]([O-])c1cccc(Br)c1C[NH2+]CCC1CC1 ZINC001308294178 933091127 /nfs/dbraw/zinc/09/11/27/933091127.db2.gz ZVQHHXDVDYCJFW-UHFFFAOYSA-N 1 0 299.168 3.247 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643609 934325153 /nfs/dbraw/zinc/32/51/53/934325153.db2.gz SHZUMUFELFFLGH-MAZHCROVSA-N 1 0 291.395 3.118 20 5 CGBDRO CCC[N@H+](CC[N+](=O)[O-])[C@H](CC)c1ccccc1 ZINC001473126760 937793692 /nfs/dbraw/zinc/79/36/92/937793692.db2.gz ZPJXSFZTDOJTQU-CQSZACIVSA-N 1 0 250.342 3.126 20 5 CGBDRO CC(C)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001330671481 935311692 /nfs/dbraw/zinc/31/16/92/935311692.db2.gz MZXDBWNTPLVSHW-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO C=C/C=C/CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001559782527 938235644 /nfs/dbraw/zinc/23/56/44/938235644.db2.gz QFCDIKZRHXZFKH-SNAWJCMRSA-N 1 0 260.337 3.201 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C)cc1[N+](=O)[O-] ZINC001560216538 938247476 /nfs/dbraw/zinc/24/74/76/938247476.db2.gz DQFZQDMOKZJIAK-BXUZGUMPSA-N 1 0 260.337 3.348 20 5 CGBDRO Cc1c(C[NH2+]CCN(C)c2ccccc2)cccc1[N+](=O)[O-] ZINC001560259166 938249947 /nfs/dbraw/zinc/24/99/47/938249947.db2.gz CEWDTXSZBZHCIM-UHFFFAOYSA-N 1 0 299.374 3.129 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc2nccn21)c1cccc([N+](=O)[O-])c1 ZINC001560274221 938250683 /nfs/dbraw/zinc/25/06/83/938250683.db2.gz HJIIEXPBJOTWPE-LBPRGKRZSA-N 1 0 296.330 3.093 20 5 CGBDRO Cc1ccc(NCCC[N@@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC001163657361 958838219 /nfs/dbraw/zinc/83/82/19/958838219.db2.gz WILARZXJPPMUKZ-UHFFFAOYSA-N 1 0 279.384 3.293 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)OC(C)(C)[C@@H]2C ZINC001225500988 960406520 /nfs/dbraw/zinc/40/65/20/960406520.db2.gz STORVLRLMJLFRE-QWHCGFSZSA-N 1 0 278.416 3.435 20 5 CGBDRO C[C@H]([NH3+])c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001576168726 962442066 /nfs/dbraw/zinc/44/20/66/962442066.db2.gz LYOVHEPTNRIWCK-JTQLQIEISA-N 1 0 257.293 3.358 20 5 CGBDRO Cc1cc(N2CCC[C@H]([NH2+]C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000589685705 346807539 /nfs/dbraw/zinc/80/75/39/346807539.db2.gz FTHOXDRTGFQWMP-LBPRGKRZSA-N 1 0 295.358 3.009 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000337999278 214353369 /nfs/dbraw/zinc/35/33/69/214353369.db2.gz OPWOISBAJRWZSF-KGLIPLIRSA-N 1 0 260.337 3.263 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591255943 346911964 /nfs/dbraw/zinc/91/19/64/346911964.db2.gz LVARVAVKFGFREL-HOTUBEGUSA-N 1 0 270.279 3.289 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cccc1[N+](=O)[O-] ZINC000592398559 346983752 /nfs/dbraw/zinc/98/37/52/346983752.db2.gz JSNNZHCVPMOTEO-GVXVVHGQSA-N 1 0 280.393 3.448 20 5 CGBDRO CC(C)C[N@H+](C)CCCN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181788 347048876 /nfs/dbraw/zinc/04/88/76/347048876.db2.gz IERQFMYQZFHNCW-CQSZACIVSA-N 1 0 293.411 3.223 20 5 CGBDRO CC(C)C[N@H+](C)CCCNc1ccsc1[N+](=O)[O-] ZINC000593480163 347083983 /nfs/dbraw/zinc/08/39/83/347083983.db2.gz NMWLMFYKZPYZBX-UHFFFAOYSA-N 1 0 271.386 3.046 20 5 CGBDRO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@@H](c2ccccc2)C1 ZINC000029843285 344920638 /nfs/dbraw/zinc/92/06/38/344920638.db2.gz KZRHWCHRBNGUSO-QGZVFWFLSA-N 1 0 297.358 3.088 20 5 CGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000044416149 345010224 /nfs/dbraw/zinc/01/02/24/345010224.db2.gz DABZYBWCNOIELQ-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264516 345050187 /nfs/dbraw/zinc/05/01/87/345050187.db2.gz BQYBOKQVHYYDSB-UWVGGRQHSA-N 1 0 254.355 3.134 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000050507896 345083397 /nfs/dbraw/zinc/08/33/97/345083397.db2.gz ZEIXJGHVSAQWSB-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000052607498 345105361 /nfs/dbraw/zinc/10/53/61/345105361.db2.gz RHXIGBLJRZPWLW-UHFFFAOYSA-N 1 0 292.379 3.294 20 5 CGBDRO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000063258481 345244665 /nfs/dbraw/zinc/24/46/65/345244665.db2.gz QHAWCQPBOCGUHF-GHMZBOCLSA-N 1 0 283.397 3.331 20 5 CGBDRO CC(C)(C)[N@@H+]1CCCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000063739814 345252856 /nfs/dbraw/zinc/25/28/56/345252856.db2.gz LHWXGRPJKBWQRQ-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059371961 345207347 /nfs/dbraw/zinc/20/73/47/345207347.db2.gz HZDTWYVZTFAXEF-CHWSQXEVSA-N 1 0 262.353 3.115 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000065586820 345274593 /nfs/dbraw/zinc/27/45/93/345274593.db2.gz GOBQVVSIOIFLMR-NEPJUHHUSA-N 1 0 295.358 3.266 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000078658210 345617900 /nfs/dbraw/zinc/61/79/00/345617900.db2.gz SNXCNFGAOMKVRX-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC000083211450 345725126 /nfs/dbraw/zinc/72/51/26/345725126.db2.gz YPPCQPVVZWQRQH-GHMZBOCLSA-N 1 0 289.335 3.356 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CCC2CC2)cc1[N+](=O)[O-] ZINC000090118484 345784229 /nfs/dbraw/zinc/78/42/29/345784229.db2.gz AJIFXXVTHCFOCF-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000178431700 232390370 /nfs/dbraw/zinc/39/03/70/232390370.db2.gz ZRQPUNZXVBKVKS-OCCSQVGLSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172957308 346232179 /nfs/dbraw/zinc/23/21/79/346232179.db2.gz DTKSJFJAGOTCMB-HONMWMINSA-N 1 0 260.337 3.244 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000227631174 346309969 /nfs/dbraw/zinc/30/99/69/346309969.db2.gz PDAQSKMEARISJM-DNOWBOINSA-N 1 0 292.379 3.105 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000300240737 346436935 /nfs/dbraw/zinc/43/69/35/346436935.db2.gz UONPUSPKHMLQTM-OSAQELSMSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)sn1 ZINC000404434919 346599421 /nfs/dbraw/zinc/59/94/21/346599421.db2.gz BUDIVUWODILWMH-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CCC2)CC1 ZINC000586782967 346734671 /nfs/dbraw/zinc/73/46/71/346734671.db2.gz AOQUYRDYMYESFP-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000588977649 346779937 /nfs/dbraw/zinc/77/99/37/346779937.db2.gz FKFJUSXASSNYRX-AWEZNQCLSA-N 1 0 290.363 3.096 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594712056 347212851 /nfs/dbraw/zinc/21/28/51/347212851.db2.gz PHKKKCCUVGHHAA-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)COCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489874 347176867 /nfs/dbraw/zinc/17/68/67/347176867.db2.gz HCWUBIBCSYVROD-OAHLLOKOSA-N 1 0 292.379 3.234 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594522630 347189224 /nfs/dbraw/zinc/18/92/24/347189224.db2.gz LYUAPNIDPADKTM-JSGCOSHPSA-N 1 0 260.337 3.360 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000594993044 347251018 /nfs/dbraw/zinc/25/10/18/347251018.db2.gz CQJQGAWLPRFTKK-INIZCTEOSA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)c1 ZINC000594996011 347252063 /nfs/dbraw/zinc/25/20/63/347252063.db2.gz QDAOVKXUFBIIEU-GVDBMIGSSA-N 1 0 298.317 3.162 20 5 CGBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594957471 347240713 /nfs/dbraw/zinc/24/07/13/347240713.db2.gz RPZCBZBTYNCQPR-ZDUSSCGKSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCOC(C)(C)C ZINC000594975180 347246549 /nfs/dbraw/zinc/24/65/49/347246549.db2.gz MGHDNDBVSFANET-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000594978191 347247209 /nfs/dbraw/zinc/24/72/09/347247209.db2.gz QRYWMIGMUJIIFV-LBPRGKRZSA-N 1 0 270.279 3.120 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978677 347247796 /nfs/dbraw/zinc/24/77/96/347247796.db2.gz VGTIBDGOIIDMGM-ZDUSSCGKSA-N 1 0 284.306 3.428 20 5 CGBDRO Cc1noc(C[N@H+](CC2CCCCC2)C2CC2)c1[N+](=O)[O-] ZINC000595293323 347287563 /nfs/dbraw/zinc/28/75/63/347287563.db2.gz KFFPUADVZTWCJW-UHFFFAOYSA-N 1 0 293.367 3.436 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595327336 347292332 /nfs/dbraw/zinc/29/23/32/347292332.db2.gz QAMMGOLYCYTZIM-UHFFFAOYSA-N 1 0 294.351 3.470 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595026722 347261223 /nfs/dbraw/zinc/26/12/23/347261223.db2.gz OPGNHYDDTXWRCB-MNOVXSKESA-N 1 0 298.408 3.396 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595029698 347262438 /nfs/dbraw/zinc/26/24/38/347262438.db2.gz XRGVOEUJJULQDZ-GXTWGEPZSA-N 1 0 290.363 3.265 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000595043170 347266993 /nfs/dbraw/zinc/26/69/93/347266993.db2.gz HDOLPYVNXVZPIW-OPQQBVKSSA-N 1 0 296.392 3.148 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000595048984 347269511 /nfs/dbraw/zinc/26/95/11/347269511.db2.gz IHTWKHZIWVGBPE-WDEREUQCSA-N 1 0 296.392 3.007 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595069955 347276773 /nfs/dbraw/zinc/27/67/73/347276773.db2.gz UBEINPLCOOTONY-MRVWCRGKSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000595075921 347278234 /nfs/dbraw/zinc/27/82/34/347278234.db2.gz BXLFVTSSFZBDCO-JMSVASOKSA-N 1 0 290.363 3.129 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595096475 347282780 /nfs/dbraw/zinc/28/27/80/347282780.db2.gz ZNFPPUHNYVQVDE-MLGOLLRUSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688452 347337075 /nfs/dbraw/zinc/33/70/75/347337075.db2.gz GZMXTKBUTBYFPJ-VBNZEHGJSA-N 1 0 290.363 3.014 20 5 CGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000596430917 347455879 /nfs/dbraw/zinc/45/58/79/347455879.db2.gz MCLNTJSLRMDNIX-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596480520 347465615 /nfs/dbraw/zinc/46/56/15/347465615.db2.gz RCEQCNBGNAXHJP-LLVKDONJSA-N 1 0 295.408 3.475 20 5 CGBDRO CC1CC(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000598649012 347675450 /nfs/dbraw/zinc/67/54/50/347675450.db2.gz UTGKGZFQMQOCMF-GQCTYLIASA-N 1 0 260.337 3.244 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000598996904 347704658 /nfs/dbraw/zinc/70/46/58/347704658.db2.gz RNYQGXKURJPIHW-GECXOHMQSA-N 1 0 290.363 3.155 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000599086170 347715883 /nfs/dbraw/zinc/71/58/83/347715883.db2.gz ZAWDLOFVRTVOJI-RBOXIYTFSA-N 1 0 290.363 3.121 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599093567 347716191 /nfs/dbraw/zinc/71/61/91/347716191.db2.gz RWMPCXMLARZRQK-XNRPHZJLSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1cc(-c2ccc([N+](=O)[O-])nc2)ccc1[C@@H]1CCC[NH2+]1 ZINC000600790028 347836866 /nfs/dbraw/zinc/83/68/66/347836866.db2.gz WYXXZDKVMXQNDA-HNNXBMFYSA-N 1 0 283.331 3.390 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC23CC3)cs1 ZINC000601138694 347873608 /nfs/dbraw/zinc/87/36/08/347873608.db2.gz WLOKJOWROHOYSE-SNVBAGLBSA-N 1 0 252.339 3.079 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601191703 347879263 /nfs/dbraw/zinc/87/92/63/347879263.db2.gz PVIWDPZSBHMGBB-SNVBAGLBSA-N 1 0 283.397 3.189 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3ncccc32)cc1 ZINC000601268026 347887177 /nfs/dbraw/zinc/88/71/77/347887177.db2.gz JDIIUHZQMBNXNK-INIZCTEOSA-N 1 0 283.331 3.157 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000601299934 347890030 /nfs/dbraw/zinc/89/00/30/347890030.db2.gz WCTAFRCCTAQCDT-RFVSLCSESA-N 1 0 278.352 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CCCCC3)nc2c1 ZINC000602502412 347970387 /nfs/dbraw/zinc/97/03/87/347970387.db2.gz GOFFYPPBXSCIGX-UHFFFAOYSA-N 1 0 289.335 3.406 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC(F)(F)C3)nc2c1 ZINC000602575327 347986213 /nfs/dbraw/zinc/98/62/13/347986213.db2.gz HBEQAROHLGEFIT-MRVPVSSYSA-N 1 0 297.261 3.013 20 5 CGBDRO Cc1ccsc1CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602583304 347988049 /nfs/dbraw/zinc/98/80/49/347988049.db2.gz PNXOXMVNKSRTCG-UHFFFAOYSA-N 1 0 290.388 3.340 20 5 CGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783674 348028487 /nfs/dbraw/zinc/02/84/87/348028487.db2.gz KEASKYDCLNMIQE-OCCSQVGLSA-N 1 0 294.399 3.000 20 5 CGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000602674241 348006718 /nfs/dbraw/zinc/00/67/18/348006718.db2.gz NPAABDPNUBBAOX-UHFFFAOYSA-N 1 0 299.374 3.100 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCCC34CC4)nc2c1 ZINC000602728743 348019210 /nfs/dbraw/zinc/01/92/10/348019210.db2.gz MULQNXJBBCXGFK-CYBMUJFWSA-N 1 0 287.319 3.158 20 5 CGBDRO C[C@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000603873271 348100974 /nfs/dbraw/zinc/10/09/74/348100974.db2.gz GJSYDIDROFUYRM-LBPRGKRZSA-N 1 0 280.368 3.340 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000603553598 348089330 /nfs/dbraw/zinc/08/93/30/348089330.db2.gz IGIOEUHDNGDZQH-LLVKDONJSA-N 1 0 250.342 3.461 20 5 CGBDRO CCC[C@@H]([NH2+]Cc1cc(C)n[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000610821198 348405290 /nfs/dbraw/zinc/40/52/90/348405290.db2.gz ZHYJVOQPCLECFE-OAHLLOKOSA-N 1 0 288.351 3.257 20 5 CGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000610580838 348391432 /nfs/dbraw/zinc/39/14/32/348391432.db2.gz SYGFQUROZGRJMQ-UHFFFAOYSA-N 1 0 275.308 3.110 20 5 CGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204931 348428549 /nfs/dbraw/zinc/42/85/49/348428549.db2.gz BMYNDOZDQJBIEF-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204929 348428702 /nfs/dbraw/zinc/42/87/02/348428702.db2.gz BMYNDOZDQJBIEF-OLZOCXBDSA-N 1 0 278.352 3.014 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1C1CC1 ZINC000611268561 348433511 /nfs/dbraw/zinc/43/35/11/348433511.db2.gz PDFLRHPOXYDSHY-VFQAQYNWSA-N 1 0 272.348 3.482 20 5 CGBDRO CC(C)c1ccc(C[N@H+](CCCO)C2CC2)cc1[N+](=O)[O-] ZINC000611271627 348434053 /nfs/dbraw/zinc/43/40/53/348434053.db2.gz ZAQDLEOEQCCEKX-UHFFFAOYSA-N 1 0 292.379 3.065 20 5 CGBDRO O=[N+]([O-])c1ccsc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000611412603 348448949 /nfs/dbraw/zinc/44/89/49/348448949.db2.gz CSHBAGHDVFSQBP-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC000611515996 348457924 /nfs/dbraw/zinc/45/79/24/348457924.db2.gz YMIRYBWVSFDBIQ-ZIAGYGMSSA-N 1 0 292.379 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(CN2CC=CCC2)c(Cl)c1 ZINC000611800185 348476497 /nfs/dbraw/zinc/47/64/97/348476497.db2.gz SVKAVKDYMLGFDP-UHFFFAOYSA-N 1 0 252.701 3.010 20 5 CGBDRO CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978547 219273398 /nfs/dbraw/zinc/27/33/98/219273398.db2.gz VVXNRPVSDKAYAE-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000614992384 348706173 /nfs/dbraw/zinc/70/61/73/348706173.db2.gz NTWGYLOYQJDXFC-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO Cc1ccc(C[N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])nc1 ZINC000616152139 348791276 /nfs/dbraw/zinc/79/12/76/348791276.db2.gz VIMYZPCWYSNNBN-FNORWQNLSA-N 1 0 297.358 3.443 20 5 CGBDRO CCn1ccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000616785437 348877614 /nfs/dbraw/zinc/87/76/14/348877614.db2.gz SONUCXTUWHIWDR-UHFFFAOYSA-N 1 0 287.363 3.357 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000339539571 215237683 /nfs/dbraw/zinc/23/76/83/215237683.db2.gz MUXQHQYCALDLJV-HNNXBMFYSA-N 1 0 294.395 3.357 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCSC1 ZINC000619198185 349220671 /nfs/dbraw/zinc/22/06/71/349220671.db2.gz FLVLCRWOPWBICE-WEKMIXOTSA-N 1 0 292.404 3.341 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000038097562 137884766 /nfs/dbraw/zinc/88/47/66/137884766.db2.gz LWBCZHDVZGVDJV-LBPRGKRZSA-N 1 0 290.319 3.226 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000129622579 187443383 /nfs/dbraw/zinc/44/33/83/187443383.db2.gz SUAMZGKELHQZHI-NXEZZACHSA-N 1 0 277.349 3.463 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C12CCC(CC1)C2 ZINC000359875358 233386813 /nfs/dbraw/zinc/38/68/13/233386813.db2.gz STGSWILQCTYSFB-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO CC(C)[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291737310 198074567 /nfs/dbraw/zinc/07/45/67/198074567.db2.gz JVUKZVITFRZWRL-ZDUSSCGKSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000123267417 187081453 /nfs/dbraw/zinc/08/14/53/187081453.db2.gz HJNVRYPLQUYAKP-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO CCN(CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000155854376 188232048 /nfs/dbraw/zinc/23/20/48/188232048.db2.gz OVJLKXGFKWATMR-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157704335 188333859 /nfs/dbraw/zinc/33/38/59/188333859.db2.gz YHWHXVNCUBIXMO-YWPYICTPSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271878046 191384686 /nfs/dbraw/zinc/38/46/86/191384686.db2.gz OQNAJAMPBRADPU-WFASDCNBSA-N 1 0 292.379 3.043 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230408644 138506646 /nfs/dbraw/zinc/50/66/46/138506646.db2.gz WVGUURBSYIVATA-SWLSCSKDSA-N 1 0 278.352 3.062 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000426821398 236316159 /nfs/dbraw/zinc/31/61/59/236316159.db2.gz SHXBAFIWLLOGCX-OKILXGFUSA-N 1 0 290.363 3.096 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000294697478 199138646 /nfs/dbraw/zinc/13/86/46/199138646.db2.gz CCNMHANUUKOSRA-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO C[C@]12CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000298245747 200370253 /nfs/dbraw/zinc/37/02/53/200370253.db2.gz JRCBLDHYPDBCEU-OLZOCXBDSA-N 1 0 282.290 3.072 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341883576 216138019 /nfs/dbraw/zinc/13/80/19/216138019.db2.gz FOKNVAGZCVGYRB-NJZAAPMLSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178654326 189134916 /nfs/dbraw/zinc/13/49/16/189134916.db2.gz DQAFYPVSUOYBSP-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686532 189137419 /nfs/dbraw/zinc/13/74/19/189137419.db2.gz SZCKTXFIMSCKKG-RYUDHWBXSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000181138400 189288866 /nfs/dbraw/zinc/28/88/66/189288866.db2.gz CEHMMLCMPMNYBK-WFASDCNBSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H]([NH2+]C/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC000181560905 189301341 /nfs/dbraw/zinc/30/13/41/189301341.db2.gz IFKWWVOEOWBJMI-RPTYSRGTSA-N 1 0 254.717 3.388 20 5 CGBDRO Cc1ccc([C@H](C)NCC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844374 189307877 /nfs/dbraw/zinc/30/78/77/189307877.db2.gz PAWVDTJPXDPUGX-DZGCQCFKSA-N 1 0 291.395 3.038 20 5 CGBDRO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000119563981 370686711 /nfs/dbraw/zinc/68/67/11/370686711.db2.gz UYXRQDJCNOGDSC-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183349041 189355951 /nfs/dbraw/zinc/35/59/51/189355951.db2.gz ITDCCBRQTTYJGA-AWEZNQCLSA-N 1 0 292.379 3.152 20 5 CGBDRO Cc1cc(NC2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301733297 201165904 /nfs/dbraw/zinc/16/59/04/201165904.db2.gz QDQOLBTYTGKRTA-UHFFFAOYSA-N 1 0 283.759 3.063 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1 ZINC000449193468 239235416 /nfs/dbraw/zinc/23/54/16/239235416.db2.gz SMPDFXYVCLYNLU-DGCLKSJQSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000449331801 239321250 /nfs/dbraw/zinc/32/12/50/239321250.db2.gz PJRWNULALVMEMF-RAIGVLPGSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459781871 242230289 /nfs/dbraw/zinc/23/02/89/242230289.db2.gz YPLQTNHDJWIHIZ-RJZRQDKASA-N 1 0 274.364 3.304 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000462804529 242365379 /nfs/dbraw/zinc/36/53/79/242365379.db2.gz LLQAAKVCYBNVNI-LRDDRELGSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000461944649 242318703 /nfs/dbraw/zinc/31/87/03/242318703.db2.gz APLVINDRHZSCII-NSHDSACASA-N 1 0 297.374 3.431 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000268543135 299383281 /nfs/dbraw/zinc/38/32/81/299383281.db2.gz ZUETXIIBWOUHOC-YYWXWVFPSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392158 243191042 /nfs/dbraw/zinc/19/10/42/243191042.db2.gz RZBKULRNWUVLIW-SWLSCSKDSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc(C[NH2+]C2CC(C(C)C)C2)cc1[N+](=O)[O-] ZINC000486897370 243377941 /nfs/dbraw/zinc/37/79/41/243377941.db2.gz NJCQKXFGVUZTAC-UHFFFAOYSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000020086634 368797916 /nfs/dbraw/zinc/79/79/16/368797916.db2.gz BUGWITMWEUPZAI-GFCCVEGCSA-N 1 0 256.305 3.446 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000020087708 368798920 /nfs/dbraw/zinc/79/89/20/368798920.db2.gz HFLGYNNEJMTIKL-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037177043 369074799 /nfs/dbraw/zinc/07/47/99/369074799.db2.gz FJEHKZXOCBWMSK-RYUDHWBXSA-N 1 0 271.320 3.402 20 5 CGBDRO C[NH+](C)Cc1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000037563106 369088667 /nfs/dbraw/zinc/08/86/67/369088667.db2.gz SPFIPYIXQVRFQR-UHFFFAOYSA-N 1 0 291.376 3.330 20 5 CGBDRO CCOc1cc(C[N@H+]2CC=C(C)CC2)ccc1[N+](=O)[O-] ZINC000492725795 244013060 /nfs/dbraw/zinc/01/30/60/244013060.db2.gz YIJMHNNHGMVNAZ-UHFFFAOYSA-N 1 0 276.336 3.146 20 5 CGBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000226652535 189777557 /nfs/dbraw/zinc/77/75/57/189777557.db2.gz DGNCWTHKEXTJGF-MRXNPFEDSA-N 1 0 286.331 3.072 20 5 CGBDRO Cc1cccc(NC[C@@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000227535603 189785539 /nfs/dbraw/zinc/78/55/39/189785539.db2.gz CNVLLMFTUNHHNV-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)s1 ZINC000050225563 369433187 /nfs/dbraw/zinc/43/31/87/369433187.db2.gz OBUSCRDGOQIHMU-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO Cc1nc(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000219153595 376196887 /nfs/dbraw/zinc/19/68/87/376196887.db2.gz DXFYCSVFDIPHAP-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219191072 376196900 /nfs/dbraw/zinc/19/69/00/376196900.db2.gz NWCNPUQFJSPUFL-IAQYHMDHSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000058603271 369571347 /nfs/dbraw/zinc/57/13/47/369571347.db2.gz CNNYIMBRWYGWBQ-UHFFFAOYSA-N 1 0 295.358 3.266 20 5 CGBDRO O=[N+]([O-])c1ccccc1CN1CCc2ccsc2C1 ZINC000060194013 369585015 /nfs/dbraw/zinc/58/50/15/369585015.db2.gz IESAOSJMNQTMJJ-UHFFFAOYSA-N 1 0 274.345 3.215 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)cc1 ZINC000060369986 369585459 /nfs/dbraw/zinc/58/54/59/369585459.db2.gz YLUFHUOBUZIKGM-MRXNPFEDSA-N 1 0 297.358 3.281 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000062050730 369614693 /nfs/dbraw/zinc/61/46/93/369614693.db2.gz KPIZENDKJGSSNR-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1occc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000065603249 369683865 /nfs/dbraw/zinc/68/38/65/369683865.db2.gz PJERSZOSVKBPCO-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO CC[C@@H]([NH2+]CC1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087017525 370024860 /nfs/dbraw/zinc/02/48/60/370024860.db2.gz UMDBTCLSLDNGEH-OAHLLOKOSA-N 1 0 292.379 3.331 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090725083 370066381 /nfs/dbraw/zinc/06/63/81/370066381.db2.gz KCNRIVPHVLXXLM-QWRGUYRKSA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000097929005 370257736 /nfs/dbraw/zinc/25/77/36/370257736.db2.gz IEVBXQNJCKDDMC-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1c(C[N@H+](CCCO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000112567896 370434361 /nfs/dbraw/zinc/43/43/61/370434361.db2.gz GNMRCIIORZQGIV-UHFFFAOYSA-N 1 0 294.395 3.134 20 5 CGBDRO O=[N+]([O-])c1cccc(CNc2ccc3c([nH+]2)CCC3)c1 ZINC000134294568 371320851 /nfs/dbraw/zinc/32/08/51/371320851.db2.gz MTLQGCUEBBPGRY-UHFFFAOYSA-N 1 0 269.304 3.091 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000135476599 371430906 /nfs/dbraw/zinc/43/09/06/371430906.db2.gz RXHBMBFAMFBBNU-LBPRGKRZSA-N 1 0 284.356 3.061 20 5 CGBDRO CC(C)OCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153240183 371759129 /nfs/dbraw/zinc/75/91/29/371759129.db2.gz OOZAKJWJVYPVOM-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000337320960 214003613 /nfs/dbraw/zinc/00/36/13/214003613.db2.gz PPJZFOIFTDMYKX-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289746802 371809332 /nfs/dbraw/zinc/80/93/32/371809332.db2.gz FDVPFCMQXXXWQY-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159141657 372108480 /nfs/dbraw/zinc/10/84/80/372108480.db2.gz RHNDIOGXIOQIRI-UHOFOFEASA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000344224717 217107071 /nfs/dbraw/zinc/10/70/71/217107071.db2.gz WLJHDNYQBQWGKM-HNNXBMFYSA-N 1 0 289.335 3.358 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428465379 372215526 /nfs/dbraw/zinc/21/55/26/372215526.db2.gz XCAPROAXORTLKK-SJPZSHDVSA-N 1 0 272.348 3.482 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000430880669 372400955 /nfs/dbraw/zinc/40/09/55/372400955.db2.gz ZBMMAQASYIUFMH-LLVKDONJSA-N 1 0 260.337 3.301 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC(C)(C)CO ZINC000163222165 372456009 /nfs/dbraw/zinc/45/60/09/372456009.db2.gz ZNKBXOKDPGCHGN-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294016384 372555217 /nfs/dbraw/zinc/55/52/17/372555217.db2.gz DPSYABYTPHJDSG-NOZJJQNGSA-N 1 0 263.341 3.016 20 5 CGBDRO CCOCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125551 372582400 /nfs/dbraw/zinc/58/24/00/372582400.db2.gz LBYANEFFWDMPCV-HNNXBMFYSA-N 1 0 292.379 3.333 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c(F)c1 ZINC000433810002 372636023 /nfs/dbraw/zinc/63/60/23/372636023.db2.gz CHBGNADKXRUQQT-CYBMUJFWSA-N 1 0 293.342 3.163 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294318131 372648881 /nfs/dbraw/zinc/64/88/81/372648881.db2.gz WLFAFYBVTQOTMR-SLEUVZQESA-N 1 0 280.368 3.307 20 5 CGBDRO CC[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295839158 372929888 /nfs/dbraw/zinc/92/98/88/372929888.db2.gz FMVFRUUUSYSMKZ-SMDDNHRTSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](CCCCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296537914 373170108 /nfs/dbraw/zinc/17/01/08/373170108.db2.gz QUVFMYPKEFNNCU-LRDDRELGSA-N 1 0 292.379 3.113 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000444826849 373280369 /nfs/dbraw/zinc/28/03/69/373280369.db2.gz IQHIYDZTNZRDMW-WDEREUQCSA-N 1 0 297.786 3.451 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000446717044 373345343 /nfs/dbraw/zinc/34/53/43/373345343.db2.gz PESDNVKFEMZUPG-CQSZACIVSA-N 1 0 262.353 3.115 20 5 CGBDRO Cc1c(C[N@H+]2CC[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000446737632 373355588 /nfs/dbraw/zinc/35/55/88/373355588.db2.gz XYKHHHVKIQKAEF-CYBMUJFWSA-N 1 0 262.353 3.381 20 5 CGBDRO CC(C)(C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543912 373448147 /nfs/dbraw/zinc/44/81/47/373448147.db2.gz TZNRBGFQQOKHQG-CHWSQXEVSA-N 1 0 294.399 3.301 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)CC1 ZINC000345045803 217396532 /nfs/dbraw/zinc/39/65/32/217396532.db2.gz YFZVFRLAGRTQLJ-WQLSENKSSA-N 1 0 260.337 3.388 20 5 CGBDRO CC(C)[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449061581 373658320 /nfs/dbraw/zinc/65/83/20/373658320.db2.gz GRNBHIMVSUNGKC-NWDGAFQWSA-N 1 0 250.342 3.160 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000301121009 373667328 /nfs/dbraw/zinc/66/73/28/373667328.db2.gz XUCHJVZGVCQVIE-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449347459 373684027 /nfs/dbraw/zinc/68/40/27/373684027.db2.gz HNYKPLZNPGUTME-OLZOCXBDSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CC1 ZINC000449446446 373724129 /nfs/dbraw/zinc/72/41/29/373724129.db2.gz RCOXRDXLVHLBHB-NEPJUHHUSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301390346 373769602 /nfs/dbraw/zinc/76/96/02/373769602.db2.gz GGYRZGUSWBYHDC-CQSZACIVSA-N 1 0 289.379 3.332 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742719 373874136 /nfs/dbraw/zinc/87/41/36/373874136.db2.gz QOYOAKRUFSRNSU-ZTDBIZBLSA-N 1 0 272.348 3.244 20 5 CGBDRO CCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000310937029 374229610 /nfs/dbraw/zinc/22/96/10/374229610.db2.gz KDYIUVRABXVXGB-UHFFFAOYSA-N 1 0 254.305 3.402 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000311461458 374243470 /nfs/dbraw/zinc/24/34/70/374243470.db2.gz VUTQDUCEFNDECR-JTQLQIEISA-N 1 0 285.775 3.389 20 5 CGBDRO CC1(C)CN(Cc2ccc(Cl)c([N+](=O)[O-])c2)CCCO1 ZINC000312887412 374294531 /nfs/dbraw/zinc/29/45/31/374294531.db2.gz WCXSCEZYAZWYST-UHFFFAOYSA-N 1 0 298.770 3.249 20 5 CGBDRO CC(C)C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487164326 375203222 /nfs/dbraw/zinc/20/32/22/375203222.db2.gz BWNHSHNSORRESF-UHFFFAOYSA-N 1 0 276.258 3.359 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@H]1C ZINC000487990744 375292282 /nfs/dbraw/zinc/29/22/82/375292282.db2.gz RVNWHEACMXEXHL-CJNGLKHVSA-N 1 0 292.379 3.232 20 5 CGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489424441 375317976 /nfs/dbraw/zinc/31/79/76/375317976.db2.gz JTDZIOGIVNUGQS-GFCCVEGCSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@H](C)C1 ZINC000190849167 375544238 /nfs/dbraw/zinc/54/42/38/375544238.db2.gz KBWRRWIKTAWYGD-LLVKDONJSA-N 1 0 280.393 3.088 20 5 CGBDRO C[C@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191668102 375649712 /nfs/dbraw/zinc/64/97/12/375649712.db2.gz CBHKYRYONHSHCK-AWEZNQCLSA-N 1 0 298.408 3.077 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cc1[N+](=O)[O-] ZINC000193014278 375815394 /nfs/dbraw/zinc/81/53/94/375815394.db2.gz XEJZGPCJJRLMGN-NEPJUHHUSA-N 1 0 288.351 3.049 20 5 CGBDRO CC[NH+](CC)CCSc1ccc(C)cc1[N+](=O)[O-] ZINC000338296113 376322412 /nfs/dbraw/zinc/32/24/12/376322412.db2.gz QWAORCASDQNQHV-UHFFFAOYSA-N 1 0 268.382 3.337 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC(C)(C)C ZINC000541774376 376481687 /nfs/dbraw/zinc/48/16/87/376481687.db2.gz VWBFPEQZABOPCS-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO CC[NH2+][C@@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000542472850 376545332 /nfs/dbraw/zinc/54/53/32/376545332.db2.gz QNSCUNJCTQXZDN-OAHLLOKOSA-N 1 0 274.320 3.449 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000231884305 376574994 /nfs/dbraw/zinc/57/49/94/376574994.db2.gz NEGOCLUIIJHTEG-LSDHHAIUSA-N 1 0 292.379 3.196 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000543171875 376613944 /nfs/dbraw/zinc/61/39/44/376613944.db2.gz JSQIFMMCGDXVSZ-CQSZACIVSA-N 1 0 290.363 3.262 20 5 CGBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000339003380 376622596 /nfs/dbraw/zinc/62/25/96/376622596.db2.gz PGKOANLQPDDROE-NWDGAFQWSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000544782215 376761166 /nfs/dbraw/zinc/76/11/66/376761166.db2.gz AZUWCXLBCBZSOV-GFCCVEGCSA-N 1 0 262.353 3.463 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000245513325 376840036 /nfs/dbraw/zinc/84/00/36/376840036.db2.gz ACUQHHBQUZXZGH-UONOGXRCSA-N 1 0 292.379 3.323 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000245592324 376862400 /nfs/dbraw/zinc/86/24/00/376862400.db2.gz LOCJMSVEWSVXCX-GFQSEFKGSA-N 1 0 278.352 3.201 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000246070483 376961174 /nfs/dbraw/zinc/96/11/74/376961174.db2.gz CKXYSBIBAHAPKK-HUUCEWRRSA-N 1 0 292.404 3.455 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000246562289 377053952 /nfs/dbraw/zinc/05/39/52/377053952.db2.gz DONKBQNILSTOGJ-UWVGGRQHSA-N 1 0 254.355 3.277 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000090794942 249029367 /nfs/dbraw/zinc/02/93/67/249029367.db2.gz ZGLODDDZDZXXCE-ZJUUUORDSA-N 1 0 283.759 3.143 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000275017186 249065943 /nfs/dbraw/zinc/06/59/43/249065943.db2.gz LSBFUEFSLKLCAZ-VXGBXAGGSA-N 1 0 278.352 3.203 20 5 CGBDRO CCOC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000314764023 249096580 /nfs/dbraw/zinc/09/65/80/249096580.db2.gz OCCFZAKWTRVXGZ-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccccc1F ZINC000514719538 249186612 /nfs/dbraw/zinc/18/66/12/249186612.db2.gz IPNDPWDZFDYOML-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOC1CCCC1 ZINC000574100249 377621540 /nfs/dbraw/zinc/62/15/40/377621540.db2.gz OJVCDDLLTJNJQK-OAHLLOKOSA-N 1 0 290.363 3.131 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255218513 377743726 /nfs/dbraw/zinc/74/37/26/377743726.db2.gz MNFOYELEFLRKQG-VSKVDJIOSA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@@H](SCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000578068115 378034716 /nfs/dbraw/zinc/03/47/16/378034716.db2.gz ODQUKVWZPCBBLV-LLVKDONJSA-N 1 0 280.393 3.389 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000343956349 378142767 /nfs/dbraw/zinc/14/27/67/378142767.db2.gz DAUHJJOZBKHGQR-ZDUSSCGKSA-N 1 0 260.337 3.217 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000268970507 378163155 /nfs/dbraw/zinc/16/31/55/378163155.db2.gz HZUNRSQEGGELHZ-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000583934073 378359555 /nfs/dbraw/zinc/35/95/55/378359555.db2.gz LABZYXAKFIIHHC-PSVOHZHUSA-N 1 0 278.327 3.478 20 5 CGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272044394 378551338 /nfs/dbraw/zinc/55/13/38/378551338.db2.gz WNLLANSQAKJUCP-HOCLYGCPSA-N 1 0 292.379 3.278 20 5 CGBDRO COC1(C)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272481258 378648262 /nfs/dbraw/zinc/64/82/62/378648262.db2.gz MCYTYZPHOQOMSB-CYBMUJFWSA-N 1 0 292.379 3.465 20 5 CGBDRO Cc1ccncc1CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000348014413 378753577 /nfs/dbraw/zinc/75/35/77/378753577.db2.gz MXENHGKWSVKOSZ-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348314321 378902118 /nfs/dbraw/zinc/90/21/18/378902118.db2.gz AXEYMADIQSOKCL-ZMLRMANQSA-N 1 0 252.289 3.136 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276654200 378973910 /nfs/dbraw/zinc/97/39/10/378973910.db2.gz MWYFFRPLTMQRDN-CYBMUJFWSA-N 1 0 294.395 3.495 20 5 CGBDRO Cc1cccc(C)c1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000348918911 379111981 /nfs/dbraw/zinc/11/19/81/379111981.db2.gz DNTWTQSGOQHGFH-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000347585378 218280951 /nfs/dbraw/zinc/28/09/51/218280951.db2.gz UEWKONNRLGMQGT-NEPJUHHUSA-N 1 0 278.352 3.081 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000280233922 379650040 /nfs/dbraw/zinc/65/00/40/379650040.db2.gz JZMJJABMJYHYJI-INIZCTEOSA-N 1 0 292.379 3.294 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000280233924 379650774 /nfs/dbraw/zinc/65/07/74/379650774.db2.gz JZMJJABMJYHYJI-MRXNPFEDSA-N 1 0 292.379 3.294 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000378233000 379793086 /nfs/dbraw/zinc/79/30/86/379793086.db2.gz KKGMTUKAGCOUFY-BPLDGKMQSA-N 1 0 290.363 3.014 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352545952 379852994 /nfs/dbraw/zinc/85/29/94/379852994.db2.gz NROQZSBHJZTZJI-ZIAGYGMSSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1ccc([N+](=O)[O-])cc1 ZINC000393647050 379914981 /nfs/dbraw/zinc/91/49/81/379914981.db2.gz JECNWEMFBKSOKE-NSHDSACASA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000353246005 380187277 /nfs/dbraw/zinc/18/72/77/380187277.db2.gz DINVLRUICICDRK-CQSZACIVSA-N 1 0 260.337 3.407 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)OCC1CC1 ZINC000414499170 380275400 /nfs/dbraw/zinc/27/54/00/380275400.db2.gz BSTCLRYLLWYVFL-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H]1C ZINC000355132228 380590782 /nfs/dbraw/zinc/59/07/82/380590782.db2.gz JDVFKLLUDRKSOM-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](CO)CC2CCCCC2)cs1 ZINC000418132107 380709425 /nfs/dbraw/zinc/70/94/25/380709425.db2.gz XUKCJCRNPRYXLC-ZDUSSCGKSA-N 1 0 298.408 3.077 20 5 CGBDRO CC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CCC1 ZINC000355612088 380728477 /nfs/dbraw/zinc/72/84/77/380728477.db2.gz WUPXITWKWUJXBW-UHFFFAOYSA-N 1 0 254.355 3.278 20 5 CGBDRO CO[C@@H](CC(C)C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419245418 380788457 /nfs/dbraw/zinc/78/84/57/380788457.db2.gz VSBSMMXXSDDCFW-INIZCTEOSA-N 1 0 292.379 3.014 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356768495 380860486 /nfs/dbraw/zinc/86/04/86/380860486.db2.gz HNWGFCFCBLPDTR-OBJOEFQTSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccccc1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000356837375 380893506 /nfs/dbraw/zinc/89/35/06/380893506.db2.gz DJUILVUAVPCTRJ-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362437481 381990138 /nfs/dbraw/zinc/99/01/38/381990138.db2.gz KCLXDZYEJWCBJU-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000362435581 381991232 /nfs/dbraw/zinc/99/12/32/381991232.db2.gz DLYQAAQXYAQMFO-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000350350855 219009907 /nfs/dbraw/zinc/00/99/07/219009907.db2.gz GYUBLEGEUUPZKZ-VURMDHGXSA-N 1 0 283.331 3.135 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOCC1)CCC2 ZINC000193071781 285145768 /nfs/dbraw/zinc/14/57/68/285145768.db2.gz MSAXDBWAJXYWCB-XJKSGUPXSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C(CF)CF ZINC000449382988 285161985 /nfs/dbraw/zinc/16/19/85/285161985.db2.gz ZNOYSRMNHDUJQS-RISCZKNCSA-N 1 0 298.333 3.203 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000357044827 542573932 /nfs/dbraw/zinc/57/39/32/542573932.db2.gz STXPKZVLGVBKMJ-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414239817 533354119 /nfs/dbraw/zinc/35/41/19/533354119.db2.gz JBLHAPYJIXNOFW-GFCCVEGCSA-N 1 0 292.379 3.451 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000424176341 533669085 /nfs/dbraw/zinc/66/90/85/533669085.db2.gz RUBTYLBEUWODIF-KBPBESRZSA-N 1 0 290.363 3.129 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](C)SC)cc1[N+](=O)[O-] ZINC000090725453 392229546 /nfs/dbraw/zinc/22/95/46/392229546.db2.gz QMAMRNXIGAZNCQ-QWRGUYRKSA-N 1 0 298.408 3.396 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCOC1 ZINC000107064456 392314921 /nfs/dbraw/zinc/31/49/21/392314921.db2.gz GAMNKECIEAIJRW-GFCCVEGCSA-N 1 0 298.770 3.107 20 5 CGBDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000158131240 392556179 /nfs/dbraw/zinc/55/61/79/392556179.db2.gz DCENVCCJHPKOGD-CQSZACIVSA-N 1 0 294.399 3.082 20 5 CGBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCCC1 ZINC000505597652 392678401 /nfs/dbraw/zinc/67/84/01/392678401.db2.gz SMNGIMUYLQDQNF-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO CCC[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313058537 392663980 /nfs/dbraw/zinc/66/39/80/392663980.db2.gz LJRUJLJHHFBQPP-CABCVRRESA-N 1 0 292.379 3.451 20 5 CGBDRO C[N@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000179305226 392695641 /nfs/dbraw/zinc/69/56/41/392695641.db2.gz TZGHFLITGMMVRM-UHFFFAOYSA-N 1 0 272.304 3.449 20 5 CGBDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000509939082 392778078 /nfs/dbraw/zinc/77/80/78/392778078.db2.gz AUAUNGIRFLELLG-HNNXBMFYSA-N 1 0 294.395 3.444 20 5 CGBDRO Cc1cc(N[C@H]2CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228556975 393020136 /nfs/dbraw/zinc/02/01/36/393020136.db2.gz ZGMKOSYPMMXOAH-JTQLQIEISA-N 1 0 289.360 3.369 20 5 CGBDRO CC(C)C[C@@H]([NH3+])CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000414688177 393052053 /nfs/dbraw/zinc/05/20/53/393052053.db2.gz IVRNDIATNGHVPK-OAHLLOKOSA-N 1 0 293.411 3.179 20 5 CGBDRO CC/C=C/CC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000466831106 393061857 /nfs/dbraw/zinc/06/18/57/393061857.db2.gz KRGRAGMFIBNFSD-ONEGZZNKSA-N 1 0 289.379 3.073 20 5 CGBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468733486 393158940 /nfs/dbraw/zinc/15/89/40/393158940.db2.gz KYOLWEJEGUZSGU-WDBUWWRISA-N 1 0 292.379 3.259 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@H](C)C1 ZINC000470174738 393229581 /nfs/dbraw/zinc/22/95/81/393229581.db2.gz NAQYANWMNPWERK-KADHNRKRSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156375 393378124 /nfs/dbraw/zinc/37/81/24/393378124.db2.gz WOEDGADRASHLRR-UPJWGTAASA-N 1 0 262.353 3.461 20 5 CGBDRO CC[C@H]([NH3+])CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420257989 393443801 /nfs/dbraw/zinc/44/38/01/393443801.db2.gz FNGZRGPDEFUIAX-ZETCQYMHSA-N 1 0 278.139 3.051 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213253 393541003 /nfs/dbraw/zinc/54/10/03/393541003.db2.gz SNFBAQDEMLQQBD-LBPRGKRZSA-N 1 0 298.408 3.177 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(C)C)C1CC1 ZINC000430193007 393535739 /nfs/dbraw/zinc/53/57/39/393535739.db2.gz CCCXABODJSALMT-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C)C[NH+](C)C ZINC000489000369 393570427 /nfs/dbraw/zinc/57/04/27/393570427.db2.gz GGSIIFUDYGTBIH-VIFPVBQESA-N 1 0 285.775 3.166 20 5 CGBDRO C[C@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423404223 393665173 /nfs/dbraw/zinc/66/51/73/393665173.db2.gz ZNDVGQDQRPULPD-WFASDCNBSA-N 1 0 291.395 3.024 20 5 CGBDRO CCOc1cc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)ccc1[N+](=O)[O-] ZINC000492632972 393764655 /nfs/dbraw/zinc/76/46/55/393764655.db2.gz UIKIOGHNEXNHEK-BETUJISGSA-N 1 0 290.363 3.081 20 5 CGBDRO Cc1ccc(F)c(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000449553836 393899612 /nfs/dbraw/zinc/89/96/12/393899612.db2.gz NRRJQLOYJGOYMU-UHFFFAOYSA-N 1 0 294.351 3.436 20 5 CGBDRO CC[C@@H](O)[C@@H](CC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449637671 393931628 /nfs/dbraw/zinc/93/16/28/393931628.db2.gz HHNLLGCYALUDTI-GDBMZVCRSA-N 1 0 294.395 3.357 20 5 CGBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000453086297 394166177 /nfs/dbraw/zinc/16/61/77/394166177.db2.gz KNFQZWQXQXXFJA-CQSZACIVSA-N 1 0 299.374 3.491 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)cccc1[N+](=O)[O-] ZINC000453403626 394235108 /nfs/dbraw/zinc/23/51/08/394235108.db2.gz HCQLYFARBHJUBT-WXHSDQCUSA-N 1 0 278.352 3.121 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000453419881 394241817 /nfs/dbraw/zinc/24/18/17/394241817.db2.gz WZYRQTFPCQHHDU-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CCOCC3)cc1 ZINC000282560545 296503998 /nfs/dbraw/zinc/50/39/98/296503998.db2.gz DQNBRGNWQGZNAE-OAHLLOKOSA-N 1 0 290.363 3.034 20 5 CGBDRO Cc1ccc(C[NH+]2CCC(OC(C)C)CC2)cc1[N+](=O)[O-] ZINC000534343105 288413488 /nfs/dbraw/zinc/41/34/88/288413488.db2.gz WXEWSVFLCWMXPG-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000061362765 286958125 /nfs/dbraw/zinc/95/81/25/286958125.db2.gz SNVCASOJAZPNRS-LLVKDONJSA-N 1 0 292.360 3.386 20 5 CGBDRO CCC[N@H+](C)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092350 165051124 /nfs/dbraw/zinc/05/11/24/165051124.db2.gz NBQIYGLPIPGCFE-SNVBAGLBSA-N 1 0 290.323 3.048 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081709765 165164842 /nfs/dbraw/zinc/16/48/42/165164842.db2.gz FNJYWPHFIZIRNC-DOMZBBRYSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090772767 165243103 /nfs/dbraw/zinc/24/31/03/165243103.db2.gz IBWATXDFAUKUBC-LLVKDONJSA-N 1 0 260.337 3.436 20 5 CGBDRO CCOc1cc(SCC[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000092658306 165306068 /nfs/dbraw/zinc/30/60/68/165306068.db2.gz KWEDCDYHOVSPGS-UHFFFAOYSA-N 1 0 298.408 3.427 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277215789 287152596 /nfs/dbraw/zinc/15/25/96/287152596.db2.gz NOGOBPLFBXQMSD-UONOGXRCSA-N 1 0 291.395 3.072 20 5 CGBDRO C[C@@H]([NH2+]CCCCCF)c1ccccc1[N+](=O)[O-] ZINC000284312113 196026990 /nfs/dbraw/zinc/02/69/90/196026990.db2.gz ZXTYFILSQQDYON-LLVKDONJSA-N 1 0 254.305 3.385 20 5 CGBDRO CC(C)[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020189490 171055777 /nfs/dbraw/zinc/05/57/77/171055777.db2.gz NCROGXDZQJGEFU-ZDUSSCGKSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000125899114 287252654 /nfs/dbraw/zinc/25/26/54/287252654.db2.gz SQVILJVQDXSYPI-CQSZACIVSA-N 1 0 299.374 3.382 20 5 CGBDRO CC[N@H+](C)Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000126293039 287261331 /nfs/dbraw/zinc/26/13/31/287261331.db2.gz CSQRSDLHNQDEDK-UHFFFAOYSA-N 1 0 260.293 3.307 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000035732741 172383815 /nfs/dbraw/zinc/38/38/15/172383815.db2.gz FLXSYDWGEXHYLK-QMMMGPOBSA-N 1 0 254.717 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000040675916 174373354 /nfs/dbraw/zinc/37/33/54/174373354.db2.gz VIWGPODBWJNMCK-CQSZACIVSA-N 1 0 260.337 3.083 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC1(C)C ZINC000414226372 533681475 /nfs/dbraw/zinc/68/14/75/533681475.db2.gz VGXKOVICLGTDQT-FZMZJTMJSA-N 1 0 262.353 3.304 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000282463582 292649535 /nfs/dbraw/zinc/64/95/35/292649535.db2.gz GBLVRRYLKKXSLA-IPYPFGDCSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC2(F)F)cs1 ZINC000390890791 262359267 /nfs/dbraw/zinc/35/92/67/262359267.db2.gz YEUJVIPXTGLBGI-VIFPVBQESA-N 1 0 276.308 3.181 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000391190461 262386923 /nfs/dbraw/zinc/38/69/23/262386923.db2.gz VMGROEIPBWONGJ-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(OCc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000521442962 270101710 /nfs/dbraw/zinc/10/17/10/270101710.db2.gz YNXYXSYSOUJJBM-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccc(F)cc1 ZINC000522268814 270105693 /nfs/dbraw/zinc/10/56/93/270105693.db2.gz URPQKMKAPCIJRB-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000530662350 270201651 /nfs/dbraw/zinc/20/16/51/270201651.db2.gz NFMLXAXTYCBJIV-LBPRGKRZSA-N 1 0 250.342 3.463 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)c(NC[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000236043611 275033351 /nfs/dbraw/zinc/03/33/51/275033351.db2.gz HKCKYUHJYZIKNX-SSDOTTSWSA-N 1 0 290.150 3.066 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCCO1)CCC2 ZINC000278274452 275038299 /nfs/dbraw/zinc/03/82/99/275038299.db2.gz PKDVNMKUDWAFGV-GDBMZVCRSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000020130078 275039193 /nfs/dbraw/zinc/03/91/93/275039193.db2.gz XRRLIEFYENVITD-INIZCTEOSA-N 1 0 268.316 3.372 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000432348142 275741271 /nfs/dbraw/zinc/74/12/71/275741271.db2.gz QMSSHFDGZIYRSB-WFASDCNBSA-N 1 0 292.379 3.233 20 5 CGBDRO C[NH2+]CCC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000234358080 277021528 /nfs/dbraw/zinc/02/15/28/277021528.db2.gz ATWJRMJWHPCMJL-UHFFFAOYSA-N 1 0 297.786 3.074 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC2(F)F)c1 ZINC000394650975 288002798 /nfs/dbraw/zinc/00/27/98/288002798.db2.gz KNXGOHRSGIZJBV-LLVKDONJSA-N 1 0 270.279 3.120 20 5 CGBDRO CC[C@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396573371 288014047 /nfs/dbraw/zinc/01/40/47/288014047.db2.gz ZAAPTADYHGBZHG-OCCSQVGLSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000340448551 278365307 /nfs/dbraw/zinc/36/53/07/278365307.db2.gz MYRKIKPZGSVGGQ-MNOVXSKESA-N 1 0 287.319 3.107 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090691962 279101275 /nfs/dbraw/zinc/10/12/75/279101275.db2.gz KMSIBJUXPGAGRB-CYBMUJFWSA-N 1 0 294.399 3.221 20 5 CGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])cn1)CC(C)C ZINC000058604567 279165789 /nfs/dbraw/zinc/16/57/89/279165789.db2.gz KFASSMGRPJFEEH-AWEZNQCLSA-N 1 0 294.399 3.158 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000182763275 279471621 /nfs/dbraw/zinc/47/16/21/279471621.db2.gz QMSQWLGHHYNQAQ-WFASDCNBSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248708563 279544206 /nfs/dbraw/zinc/54/42/06/279544206.db2.gz AZAQYTMHWZZDFY-HZUKXOBISA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000532192728 288354140 /nfs/dbraw/zinc/35/41/40/288354140.db2.gz GPLGFVUYPIVQAV-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)O ZINC000551272627 289107039 /nfs/dbraw/zinc/10/70/39/289107039.db2.gz LULDIYYFMBORHR-BXUZGUMPSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000554993440 289322642 /nfs/dbraw/zinc/32/26/42/289322642.db2.gz APOIXXXFWMOXQV-UONOGXRCSA-N 1 0 293.411 3.283 20 5 CGBDRO Cc1cc(N[C@H]2CCC[C@H]2F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000555274693 289337515 /nfs/dbraw/zinc/33/75/15/289337515.db2.gz BYRSIAZDSLVHBF-OCCSQVGLSA-N 1 0 289.310 3.176 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C(C)C)C1CCC1 ZINC000430206698 295027868 /nfs/dbraw/zinc/02/78/68/295027868.db2.gz XTRTZWAYYNXZLW-UHFFFAOYSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000275147815 301869231 /nfs/dbraw/zinc/86/92/31/301869231.db2.gz VBCOZEANRBIGQI-HEHGZKQESA-N 1 0 292.379 3.105 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000570163212 322266603 /nfs/dbraw/zinc/26/66/03/322266603.db2.gz DHVWIXHSZSZEDI-GXTWGEPZSA-N 1 0 280.368 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccsc1 ZINC000572377540 322334494 /nfs/dbraw/zinc/33/44/94/322334494.db2.gz HSZOZLIZCBYZKF-CQSZACIVSA-N 1 0 288.372 3.476 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000573443822 322388127 /nfs/dbraw/zinc/38/81/27/322388127.db2.gz BHYWEGPLXFKLIL-QWHCGFSZSA-N 1 0 296.342 3.364 20 5 CGBDRO Cc1cc(N[C@H]2CC[C@@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000574430638 322440005 /nfs/dbraw/zinc/44/00/05/322440005.db2.gz OAKUIMSSADMPAI-MNOVXSKESA-N 1 0 289.310 3.176 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@H](C)C[N@@H+](C)C(C)C ZINC000580680001 335321172 /nfs/dbraw/zinc/32/11/72/335321172.db2.gz APOIXXXFWMOXQV-KGLIPLIRSA-N 1 0 293.411 3.283 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccccc1 ZINC000578142471 335524782 /nfs/dbraw/zinc/52/47/82/335524782.db2.gz LSTGRVIXUVRBDN-INIZCTEOSA-N 1 0 282.343 3.414 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425981417 533727076 /nfs/dbraw/zinc/72/70/76/533727076.db2.gz NPYARNZGPMCWMA-PSASIEDQSA-N 1 0 288.269 3.359 20 5 CGBDRO Cc1cc(N)cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000423480275 533886779 /nfs/dbraw/zinc/88/67/79/533886779.db2.gz PBUGJAXJZJYBIV-CYBMUJFWSA-N 1 0 299.374 3.206 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCSC1 ZINC000449328161 534254456 /nfs/dbraw/zinc/25/44/56/534254456.db2.gz DYTNPHMCMQIRGZ-QWHCGFSZSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@@H]([N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177252881 534285118 /nfs/dbraw/zinc/28/51/18/534285118.db2.gz LJECJPRKKVHCCV-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000085970891 522632521 /nfs/dbraw/zinc/63/25/21/522632521.db2.gz SRMXAAKPZCXLKU-KBMXLJTQSA-N 1 0 292.379 3.187 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000290154233 522806916 /nfs/dbraw/zinc/80/69/16/522806916.db2.gz PGNLSWWVMBLIQY-UHFFFAOYSA-N 1 0 294.395 3.446 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000062726298 525463226 /nfs/dbraw/zinc/46/32/26/525463226.db2.gz PRMAJEGSGIUYHG-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cc[nH]c2)cc1[N+](=O)[O-] ZINC000086256505 525733247 /nfs/dbraw/zinc/73/32/47/525733247.db2.gz WACJDHNJHGOIOQ-LLVKDONJSA-N 1 0 259.309 3.082 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158375787 527389085 /nfs/dbraw/zinc/38/90/85/527389085.db2.gz PLBWQIMOZGRPQR-GHMZBOCLSA-N 1 0 295.770 3.287 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(CC2)C1 ZINC000449370697 527500421 /nfs/dbraw/zinc/50/04/21/527500421.db2.gz LUZNNXIWPFLLQR-GHXNOFRVSA-N 1 0 258.321 3.094 20 5 CGBDRO CC(C)CCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000426475174 527703279 /nfs/dbraw/zinc/70/32/79/527703279.db2.gz KZPSXNNDBFKNIF-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO CCC[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000449378282 528151071 /nfs/dbraw/zinc/15/10/71/528151071.db2.gz QPHGVRKFPQUELR-LRFDDAOPSA-N 1 0 292.379 3.403 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173332730 528656548 /nfs/dbraw/zinc/65/65/48/528656548.db2.gz HRTXXNPQICQBOH-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294696 528823730 /nfs/dbraw/zinc/82/37/30/528823730.db2.gz CSTDHIVGUAZQHD-OLZOCXBDSA-N 1 0 279.384 3.071 20 5 CGBDRO CC(C)[NH+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000411432602 528878432 /nfs/dbraw/zinc/87/84/32/528878432.db2.gz SAKHBWWHLGRXMO-UHFFFAOYSA-N 1 0 293.367 3.042 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154584674 529012643 /nfs/dbraw/zinc/01/26/43/529012643.db2.gz PIEKYCKDVJAROB-HZPDHXFCSA-N 1 0 291.395 3.120 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000483874479 536838023 /nfs/dbraw/zinc/83/80/23/536838023.db2.gz VNHDFZGKIDHADP-DJSGYFEHSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731213141 572403039 /nfs/dbraw/zinc/40/30/39/572403039.db2.gz KDOFQVAPYNPSOW-PHIMTYICSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000747212338 572918974 /nfs/dbraw/zinc/91/89/74/572918974.db2.gz MUMABIYJKXWQRO-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO COC1CCC(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000891620670 618242726 /nfs/dbraw/zinc/24/27/26/618242726.db2.gz HVKVZCXQONNMOL-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO CS[C@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235109791 618654834 /nfs/dbraw/zinc/65/48/34/618654834.db2.gz CXDWJJXSVCKETD-JSGCOSHPSA-N 1 0 280.393 3.011 20 5 CGBDRO CCCCOCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000061012100 618659460 /nfs/dbraw/zinc/65/94/60/618659460.db2.gz XFPGBDZSKVFPCJ-UHFFFAOYSA-N 1 0 280.368 3.200 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000311463845 618909799 /nfs/dbraw/zinc/90/97/99/618909799.db2.gz OYNRBHYBTWYSDQ-LBPRGKRZSA-N 1 0 280.393 3.136 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C[NH+](C)C ZINC000312592042 619092383 /nfs/dbraw/zinc/09/23/83/619092383.db2.gz XCCONKNOUZLTHP-VIFPVBQESA-N 1 0 287.310 3.142 20 5 CGBDRO Cc1ccc(C[NH2+]CCOc2ccccc2)cc1[N+](=O)[O-] ZINC000048436492 619203354 /nfs/dbraw/zinc/20/33/54/619203354.db2.gz WUAXYLFFAHIURD-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO Cc1coc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897460539 620339958 /nfs/dbraw/zinc/33/99/58/620339958.db2.gz UFVZROMJIYHEJY-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@H](C[NH2+]C1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000897465930 620340518 /nfs/dbraw/zinc/34/05/18/620340518.db2.gz LFIXTQFLJUMTMY-LLVKDONJSA-N 1 0 280.393 3.184 20 5 CGBDRO CO[C@@](C)(C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897464999 620340578 /nfs/dbraw/zinc/34/05/78/620340578.db2.gz QDAXOQIONKHJEB-WBMJQRKESA-N 1 0 292.379 3.103 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898251343 620497811 /nfs/dbraw/zinc/49/78/11/620497811.db2.gz ACJNBXYVXHDFIG-MRXNPFEDSA-N 1 0 297.358 3.118 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927019137 620562558 /nfs/dbraw/zinc/56/25/58/620562558.db2.gz RBAHNOOOHNYCLE-ZBFHGGJFSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\Cl ZINC000898434267 620587255 /nfs/dbraw/zinc/58/72/55/620587255.db2.gz UNPUOBRFKJEBEK-KSHIFHCESA-N 1 0 268.744 3.258 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000252681573 625465342 /nfs/dbraw/zinc/46/53/42/625465342.db2.gz AOOTWWBNWNGKSH-KNPMLCFXSA-N 1 0 292.379 3.043 20 5 CGBDRO CNc1ccccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000902077041 621127070 /nfs/dbraw/zinc/12/70/70/621127070.db2.gz BXUIATMQZRUPKJ-GFCCVEGCSA-N 1 0 285.347 3.487 20 5 CGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000902821819 621456962 /nfs/dbraw/zinc/45/69/62/621456962.db2.gz LJAUUISRUPWCBB-HUUCEWRRSA-N 1 0 292.379 3.075 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903177613 621614167 /nfs/dbraw/zinc/61/41/67/621614167.db2.gz QGOJUBSXMWHHDB-SMDDNHRTSA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000903286820 621669779 /nfs/dbraw/zinc/66/97/79/621669779.db2.gz HHMNAWYBSDLKLX-NXEZZACHSA-N 1 0 277.349 3.463 20 5 CGBDRO Cc1ncncc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288278 621671349 /nfs/dbraw/zinc/67/13/49/621671349.db2.gz VRNKINCGCJHMNV-ZYHUDNBSSA-N 1 0 286.335 3.105 20 5 CGBDRO Cc1cc2c(cc1-c1ccc([N+](=O)[O-])cc1)C[NH2+]CC2 ZINC000904795899 621993152 /nfs/dbraw/zinc/99/31/52/621993152.db2.gz CHDMKWPCBOVWPU-UHFFFAOYSA-N 1 0 268.316 3.216 20 5 CGBDRO Cc1cc(N2CCCC[C@H]2C)ccc1NCC[N+](=O)[O-] ZINC000905331926 622062948 /nfs/dbraw/zinc/06/29/48/622062948.db2.gz YFFORFKBPRWSPG-CYBMUJFWSA-N 1 0 277.368 3.062 20 5 CGBDRO CCC[C@H](C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905422578 622071976 /nfs/dbraw/zinc/07/19/76/622071976.db2.gz IVVBDHCTIDUUNO-WFASDCNBSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@]1(Cc2cccc(-c3ccc([N+](=O)[O-])nc3)c2)CCC[NH2+]1 ZINC000906171279 622166355 /nfs/dbraw/zinc/16/63/55/622166355.db2.gz RWKBZCWGAXZWHZ-KRWDZBQOSA-N 1 0 297.358 3.341 20 5 CGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000055034942 622809522 /nfs/dbraw/zinc/80/95/22/622809522.db2.gz DWYVULULXZIARB-AWEZNQCLSA-N 1 0 292.383 3.020 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000045652499 622875386 /nfs/dbraw/zinc/87/53/86/622875386.db2.gz CHSVRSJIHDDVDH-NSHDSACASA-N 1 0 283.759 3.143 20 5 CGBDRO CCCC[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000075582293 625177507 /nfs/dbraw/zinc/17/75/07/625177507.db2.gz BLIJQHIDWMTWQO-UHFFFAOYSA-N 1 0 276.340 3.024 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000227826172 625844571 /nfs/dbraw/zinc/84/45/71/625844571.db2.gz MZODDVIKTHOIFY-OLZOCXBDSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000922844395 626056733 /nfs/dbraw/zinc/05/67/33/626056733.db2.gz WVVJSGZFUFSAET-SCZZXKLOSA-N 1 0 272.395 3.030 20 5 CGBDRO Cc1c(C[NH2+]C2([C@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000923024266 626120228 /nfs/dbraw/zinc/12/02/28/626120228.db2.gz IJEALJOFFXHOIK-OAHLLOKOSA-N 1 0 290.363 3.095 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000839661761 626772662 /nfs/dbraw/zinc/77/26/62/626772662.db2.gz ZHWNJASYEPBYMX-SNVBAGLBSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccnn1C[N@@H+]1CCC[C@@H]1CCC1CCCC1 ZINC000767755716 627434442 /nfs/dbraw/zinc/43/44/42/627434442.db2.gz VCNLEKGABSNFNG-CQSZACIVSA-N 1 0 292.383 3.184 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCOC1 ZINC000768555232 627486785 /nfs/dbraw/zinc/48/67/85/627486785.db2.gz OJGCIIVFUAKTAW-GFCCVEGCSA-N 1 0 298.770 3.107 20 5 CGBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])cc(Cl)c21)C1CC1 ZINC000774636845 628010979 /nfs/dbraw/zinc/01/09/79/628010979.db2.gz ZJNPUSQYXJXYCE-UHFFFAOYSA-N 1 0 294.742 3.040 20 5 CGBDRO CC[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776585001 628221341 /nfs/dbraw/zinc/22/13/41/628221341.db2.gz QTAGETCXTRCRHB-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000776592522 628222387 /nfs/dbraw/zinc/22/23/87/628222387.db2.gz PDFVFLDWWUFJBL-IRXDYDNUSA-N 1 0 298.342 3.075 20 5 CGBDRO Cc1cc(NCC2([NH+](C)C)CCC2)c(Cl)cc1[N+](=O)[O-] ZINC000782391673 628643720 /nfs/dbraw/zinc/64/37/20/628643720.db2.gz LMALVUGDCROUDG-UHFFFAOYSA-N 1 0 297.786 3.453 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000783637063 628734234 /nfs/dbraw/zinc/73/42/34/628734234.db2.gz CMLQRIRDMKUHAG-CHWSQXEVSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000783664823 628736426 /nfs/dbraw/zinc/73/64/26/628736426.db2.gz LKGMLNIIYFGGOU-CMPLNLGQSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C23CCC(CC2)C3)c(F)c1 ZINC000784642941 628827225 /nfs/dbraw/zinc/82/72/25/628827225.db2.gz DFZGKADPWOJCTM-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497713 629059325 /nfs/dbraw/zinc/05/93/25/629059325.db2.gz JQUHYMMCRDJJCL-SNVBAGLBSA-N 1 0 289.310 3.167 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562750 629064807 /nfs/dbraw/zinc/06/48/07/629064807.db2.gz HZGJKRHARNLGRQ-GARJFASQSA-N 1 0 265.357 3.262 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000801525269 630341056 /nfs/dbraw/zinc/34/10/56/630341056.db2.gz SAYRLYXHOCPECY-UHFFFAOYSA-N 1 0 266.316 3.497 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702351 630786617 /nfs/dbraw/zinc/78/66/17/630786617.db2.gz FHERDOBCGONZBY-LDYMZIIASA-N 1 0 286.784 3.089 20 5 CGBDRO [NH3+]CCN(C/C=C/c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734563 630794903 /nfs/dbraw/zinc/79/49/03/630794903.db2.gz HQBGNZVDWCHVDD-QPJJXVBHSA-N 1 0 297.358 3.073 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCOC1 ZINC000812776084 631305886 /nfs/dbraw/zinc/30/58/86/631305886.db2.gz IKZADBAEEPADDE-LBPRGKRZSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555570 631794193 /nfs/dbraw/zinc/79/41/93/631794193.db2.gz CFKLNJIXRBJJBD-WDEREUQCSA-N 1 0 289.335 3.052 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818346598 632312136 /nfs/dbraw/zinc/31/21/36/632312136.db2.gz USKAWXLIOSYVGL-BPNCWPANSA-N 1 0 289.379 3.264 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818356717 632313759 /nfs/dbraw/zinc/31/37/59/632313759.db2.gz QDPSRDZAZFYQJI-DUFXMDAXSA-N 1 0 275.352 3.016 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819255379 632412951 /nfs/dbraw/zinc/41/29/51/632412951.db2.gz ZQSTUXQEZZEKKS-IVMMDQJWSA-N 1 0 292.379 3.187 20 5 CGBDRO CCc1ncc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)s1 ZINC000865788018 632891143 /nfs/dbraw/zinc/89/11/43/632891143.db2.gz WSOHHAUYSLXEOA-UHFFFAOYSA-N 1 0 291.376 3.212 20 5 CGBDRO CC[C@H]1C[C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000865787702 632891455 /nfs/dbraw/zinc/89/14/55/632891455.db2.gz RGYUHUIYIZOIRA-CABCVRRESA-N 1 0 292.379 3.198 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866248779 633044694 /nfs/dbraw/zinc/04/46/94/633044694.db2.gz SVSKSDBRVXQRIK-LBPRGKRZSA-N 1 0 298.358 3.071 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@H]1C ZINC000866381855 633112597 /nfs/dbraw/zinc/11/25/97/633112597.db2.gz QYYZZHUPSPSEOW-NRUUGDAUSA-N 1 0 298.383 3.149 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(C)(C)OC ZINC000866505589 633165697 /nfs/dbraw/zinc/16/56/97/633165697.db2.gz PQXXKEOPIHPWGR-LLVKDONJSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1nn(C[N@@H+](C)CCC(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000121119024 633177802 /nfs/dbraw/zinc/17/78/02/633177802.db2.gz YFCHWVZPGJUWAE-UHFFFAOYSA-N 1 0 290.367 3.188 20 5 CGBDRO CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H]1CCOC1 ZINC000876595549 634864517 /nfs/dbraw/zinc/86/45/17/634864517.db2.gz HSRSYVOEVIZOOP-CQSZACIVSA-N 1 0 292.379 3.070 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831339710 633944835 /nfs/dbraw/zinc/94/48/35/633944835.db2.gz VSLDRJSBFUNEBJ-ZFWWWQNUSA-N 1 0 296.342 3.027 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031454 633950501 /nfs/dbraw/zinc/95/05/01/633950501.db2.gz KKUNZXDTBXAFRL-NEPJUHHUSA-N 1 0 297.374 3.115 20 5 CGBDRO CC[N@H+](CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872032239 633950637 /nfs/dbraw/zinc/95/06/37/633950637.db2.gz YPHCNJCIDWPQLL-LBPRGKRZSA-N 1 0 297.374 3.115 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000872041492 633963321 /nfs/dbraw/zinc/96/33/21/633963321.db2.gz TUYNIDVEIGDYTN-ZWNOBZJWSA-N 1 0 298.358 3.446 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043782 633967246 /nfs/dbraw/zinc/96/72/46/633967246.db2.gz MABRJEPYCQTBBY-GRYCIOLGSA-N 1 0 296.342 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@H](C)O ZINC000872059249 633980962 /nfs/dbraw/zinc/98/09/62/633980962.db2.gz CBPUAYAGONGHAL-DCAQKATOSA-N 1 0 298.408 3.127 20 5 CGBDRO CO[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064129 633986515 /nfs/dbraw/zinc/98/65/15/633986515.db2.gz CGOHXWRXDYZFFQ-NXEZZACHSA-N 1 0 284.381 3.002 20 5 CGBDRO CCOC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872066082 633988498 /nfs/dbraw/zinc/98/84/98/633988498.db2.gz JVTIODRXTLTJGV-AAEUAGOBSA-N 1 0 298.358 3.446 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872072882 633994445 /nfs/dbraw/zinc/99/44/45/633994445.db2.gz LAYFCFBJRLYQRH-BJJXKVORSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872075171 633997838 /nfs/dbraw/zinc/99/78/38/633997838.db2.gz PFQYJCNEDSPIHE-WDEREUQCSA-N 1 0 284.331 3.200 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088310 634014233 /nfs/dbraw/zinc/01/42/33/634014233.db2.gz PTTZSYWHMDEURW-DTWKUNHWSA-N 1 0 288.269 3.430 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000872104765 634025454 /nfs/dbraw/zinc/02/54/54/634025454.db2.gz OVTACOYILGTAPJ-CQSZACIVSA-N 1 0 292.379 3.234 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872128338 634049921 /nfs/dbraw/zinc/04/99/21/634049921.db2.gz MAVVGVZJLZZJBI-ZENOOKHLSA-N 1 0 292.379 3.449 20 5 CGBDRO COCC[C@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129513 634050407 /nfs/dbraw/zinc/05/04/07/634050407.db2.gz GBLVRRYLKKXSLA-NFAWXSAZSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124190111 634182052 /nfs/dbraw/zinc/18/20/52/634182052.db2.gz HZGNUFYFZXRASH-ONGXEEELSA-N 1 0 283.759 3.143 20 5 CGBDRO CCC(CC)(CCO)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873067138 634240475 /nfs/dbraw/zinc/24/04/75/634240475.db2.gz VVWQNKOQDVPZLT-UHFFFAOYSA-N 1 0 294.395 3.182 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCSC1 ZINC000873116618 634249040 /nfs/dbraw/zinc/24/90/40/634249040.db2.gz KVSVRHKOFSQSAJ-LBPRGKRZSA-N 1 0 280.393 3.054 20 5 CGBDRO CCOC[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876789121 634899010 /nfs/dbraw/zinc/89/90/10/634899010.db2.gz RLODIFCANXPDMM-CQSZACIVSA-N 1 0 292.379 3.070 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877738078 635171655 /nfs/dbraw/zinc/17/16/55/635171655.db2.gz JMAOJWAOKSEFSX-KGLIPLIRSA-N 1 0 292.404 3.088 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879531153 635805344 /nfs/dbraw/zinc/80/53/44/635805344.db2.gz XGRBPIISQQANHC-TXEJJXNPSA-N 1 0 276.311 3.132 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844433900 635899010 /nfs/dbraw/zinc/89/90/10/635899010.db2.gz ICVSXVRLEPGSNG-CYBMUJFWSA-N 1 0 282.290 3.216 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@H](CF)C2)ccc1[N+](=O)[O-] ZINC000880236847 635946937 /nfs/dbraw/zinc/94/69/37/635946937.db2.gz KLGUPFJMLNROBC-CYBMUJFWSA-N 1 0 296.342 3.175 20 5 CGBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128455198 636009631 /nfs/dbraw/zinc/00/96/31/636009631.db2.gz MPSHNAAIWSJKQX-ZDUSSCGKSA-N 1 0 299.802 3.053 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000847077545 636329702 /nfs/dbraw/zinc/32/97/02/636329702.db2.gz GXOHUHYTXUCSQK-ZFWWWQNUSA-N 1 0 296.342 3.171 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000850467914 637078539 /nfs/dbraw/zinc/07/85/39/637078539.db2.gz AVIHDXXGSCFVJF-IINYFYTJSA-N 1 0 278.352 3.443 20 5 CGBDRO CC(C)[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885942257 637324290 /nfs/dbraw/zinc/32/42/90/637324290.db2.gz MTGUFGCAFICTKC-OAHLLOKOSA-N 1 0 285.347 3.477 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000885954352 637329013 /nfs/dbraw/zinc/32/90/13/637329013.db2.gz VPEKVDFIMUJJFT-SNPRPXQTSA-N 1 0 289.379 3.390 20 5 CGBDRO CCC1(C)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000885979790 637341897 /nfs/dbraw/zinc/34/18/97/637341897.db2.gz MPVBWQCLKOCJOJ-UHFFFAOYSA-N 1 0 263.341 3.002 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000886086048 637402524 /nfs/dbraw/zinc/40/25/24/637402524.db2.gz GUPHJLBHCOCCND-HUUCEWRRSA-N 1 0 292.379 3.341 20 5 CGBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886145287 637434462 /nfs/dbraw/zinc/43/44/62/637434462.db2.gz UFJMJAUKKUBNQV-OLZOCXBDSA-N 1 0 295.408 3.144 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184087 637451196 /nfs/dbraw/zinc/45/11/96/637451196.db2.gz UDICZAVTMXYODE-CYBMUJFWSA-N 1 0 277.368 3.248 20 5 CGBDRO C[C@H](C1CCCCC1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886192258 637453969 /nfs/dbraw/zinc/45/39/69/637453969.db2.gz NIELSGIRMHLYQA-GFCCVEGCSA-N 1 0 277.368 3.390 20 5 CGBDRO CC(C)[C@@H](Cc1ccccc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886422031 637527675 /nfs/dbraw/zinc/52/76/75/637527675.db2.gz AQZSWEJMVKLVML-MRXNPFEDSA-N 1 0 299.374 3.347 20 5 CGBDRO Cc1nn(C[N@@H+]2CCCC[C@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000853607496 637872700 /nfs/dbraw/zinc/87/27/00/637872700.db2.gz OIJQIGLDOCQTAD-AWEZNQCLSA-N 1 0 292.383 3.102 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927021331 638832747 /nfs/dbraw/zinc/83/27/47/638832747.db2.gz MVRLHZWHFUNPLT-IUODEOHRSA-N 1 0 278.352 3.205 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927031187 638833953 /nfs/dbraw/zinc/83/39/53/638833953.db2.gz ZGCPLLHLDGEJDQ-CABCVRRESA-N 1 0 280.368 3.187 20 5 CGBDRO COC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000927096881 638841374 /nfs/dbraw/zinc/84/13/74/638841374.db2.gz JJZPFYLWHBPXBU-GXTWGEPZSA-N 1 0 280.368 3.164 20 5 CGBDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927122813 638845597 /nfs/dbraw/zinc/84/55/97/638845597.db2.gz TVCDQDGBJGQGCU-HCKVZZMMSA-N 1 0 275.352 3.018 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246238645 640666165 /nfs/dbraw/zinc/66/61/65/640666165.db2.gz HNQGGGPHLJPJNF-HZPDHXFCSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1ccc2ccc3cccnc3c2n1 ZINC001155915298 805625354 /nfs/dbraw/zinc/62/53/54/805625354.db2.gz SBUBRXAIWRLVKI-LBPRGKRZSA-N 1 0 280.375 3.145 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2ccc3c(c2)CC[NH2+]CC3)c1 ZINC001159679524 806149178 /nfs/dbraw/zinc/14/91/78/806149178.db2.gz SYPUFKPVTJQQAN-UHFFFAOYSA-N 1 0 283.331 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC3CCC2CC3)cc1 ZINC001254093136 806339995 /nfs/dbraw/zinc/33/99/95/806339995.db2.gz NIQZERONXIQFKF-UHFFFAOYSA-N 1 0 260.337 3.012 20 5 CGBDRO CC(C)C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475699 806412962 /nfs/dbraw/zinc/41/29/62/806412962.db2.gz HHLVCOCHQLOAAM-UHFFFAOYSA-N 1 0 291.395 3.151 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001254533221 806444384 /nfs/dbraw/zinc/44/43/84/806444384.db2.gz YGSOPGOKCKCLMM-IACUBPJLSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001254538012 806446648 /nfs/dbraw/zinc/44/66/48/806446648.db2.gz MGSHUJVSAIUKEY-RMRHIDDWSA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC(C)C1 ZINC001254551999 806447649 /nfs/dbraw/zinc/44/76/49/806447649.db2.gz HUDHQAVZUSCQNP-LXVYMNJGSA-N 1 0 262.353 3.256 20 5 CGBDRO CC[N@H+](C(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550686 806447683 /nfs/dbraw/zinc/44/76/83/806447683.db2.gz OSURHGRRGAXPSZ-GFCCVEGCSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CCC2 ZINC001254546366 806447857 /nfs/dbraw/zinc/44/78/57/806447857.db2.gz RSTXFRNZKCRAMS-SMDDNHRTSA-N 1 0 260.337 3.058 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001254551115 806447923 /nfs/dbraw/zinc/44/79/23/806447923.db2.gz YJTKJKLKYPVAHB-AEGPPILISA-N 1 0 274.364 3.258 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001254550554 806448098 /nfs/dbraw/zinc/44/80/98/806448098.db2.gz LRYIYPQUYKQCOS-CHWSQXEVSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C2CCC1CC2 ZINC001254558521 806450132 /nfs/dbraw/zinc/45/01/32/806450132.db2.gz CEGQDNNKVWYVPI-XGNXJENSSA-N 1 0 260.337 3.153 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254564087 806450848 /nfs/dbraw/zinc/45/08/48/806450848.db2.gz IITMLEMQQXWGFY-CQSZACIVSA-N 1 0 299.374 3.361 20 5 CGBDRO Cc1cc2c(cn1)CN([C@@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254560415 806451291 /nfs/dbraw/zinc/45/12/91/806451291.db2.gz SAQNFGQLLQYIRV-ZDUSSCGKSA-N 1 0 297.358 3.245 20 5 CGBDRO Cc1cccc2c1C[N@@H+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254596813 806457198 /nfs/dbraw/zinc/45/71/98/806457198.db2.gz GCDSBRWEKWHRDU-KRWDZBQOSA-N 1 0 294.354 3.386 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCC(C)(F)F ZINC001162234525 806538113 /nfs/dbraw/zinc/53/81/13/806538113.db2.gz WRBNMEXDSXZCOO-UHFFFAOYSA-N 1 0 257.348 3.350 20 5 CGBDRO O=[N+]([O-])c1cc2c(cc1NC[C@H]1CCC(F)(F)C1)C[NH2+]C2 ZINC001162649603 806639068 /nfs/dbraw/zinc/63/90/68/806639068.db2.gz KSWGCJAELGWTPU-VIFPVBQESA-N 1 0 297.305 3.045 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCc1ccc2c(c1)CC[NH2+]C2 ZINC001162808064 806668477 /nfs/dbraw/zinc/66/84/77/806668477.db2.gz ZCLMMNXWIIQPDQ-UHFFFAOYSA-N 1 0 297.358 3.161 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)o1 ZINC000689716679 799767873 /nfs/dbraw/zinc/76/78/73/799767873.db2.gz OTEJZWMRFUVTKN-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000701049337 799884660 /nfs/dbraw/zinc/88/46/60/799884660.db2.gz IHAIIWVUSIZEJY-RZGXBDKHSA-N 1 0 298.770 3.150 20 5 CGBDRO CC(C)CC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000701424920 799888172 /nfs/dbraw/zinc/88/81/72/799888172.db2.gz OFDBBQRLOISDPJ-UHFFFAOYSA-N 1 0 266.316 3.402 20 5 CGBDRO CC1(O)CCC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000703530146 799926238 /nfs/dbraw/zinc/92/62/38/799926238.db2.gz IUMXFFZMHSYPAH-UHFFFAOYSA-N 1 0 298.770 3.031 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000706920939 799970381 /nfs/dbraw/zinc/97/03/81/799970381.db2.gz CEMOSZXEZFRZIU-VIFPVBQESA-N 1 0 252.289 3.012 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000718732026 800220979 /nfs/dbraw/zinc/22/09/79/800220979.db2.gz IBJUMLQRELJQPR-UONOGXRCSA-N 1 0 278.352 3.032 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)c2ccc[nH]2)cc([N+](=O)[O-])c1 ZINC000903128951 800594072 /nfs/dbraw/zinc/59/40/72/800594072.db2.gz CFQFYBSXKZQKDZ-GHMZBOCLSA-N 1 0 289.335 3.343 20 5 CGBDRO Cc1ccc(N[C@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116190457 802308380 /nfs/dbraw/zinc/30/83/80/802308380.db2.gz NQAMZXGLPIFUNC-GXTWGEPZSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1nc(CNc2ccc([N+](=O)[O-])cc2C(F)F)[nH]c1C ZINC001120960810 802798193 /nfs/dbraw/zinc/79/81/93/802798193.db2.gz YOSXQOOIOYQXBK-UHFFFAOYSA-N 1 0 296.277 3.484 20 5 CGBDRO C[NH2+]Cc1cccc(Nc2cc([N+](=O)[O-])cc(Cl)n2)c1 ZINC001167033254 807132699 /nfs/dbraw/zinc/13/26/99/807132699.db2.gz QUZPCFXGGCKDAX-UHFFFAOYSA-N 1 0 292.726 3.106 20 5 CGBDRO C[NH2+]CCNc1nc2c(ccc3ccccc32)nc1Cl ZINC001167723706 807234327 /nfs/dbraw/zinc/23/43/27/807234327.db2.gz DWQSYAJSNLZLNY-UHFFFAOYSA-N 1 0 286.766 3.068 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168967582 807543807 /nfs/dbraw/zinc/54/38/07/807543807.db2.gz QZZQKSRUZPPQGX-GJZGRUSLSA-N 1 0 276.380 3.147 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1Cl ZINC001168975579 807545043 /nfs/dbraw/zinc/54/50/43/807545043.db2.gz WHYSCLMMEBXXJB-STQMWFEESA-N 1 0 282.771 3.183 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977332 807545243 /nfs/dbraw/zinc/54/52/43/807545243.db2.gz AHMLDAOKADBEEE-UMVBOHGHSA-N 1 0 262.353 3.091 20 5 CGBDRO CCCOc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978935 807546132 /nfs/dbraw/zinc/54/61/32/807546132.db2.gz VMGTZBPXAMPJIL-LSDHHAIUSA-N 1 0 292.379 3.010 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168983324 807546627 /nfs/dbraw/zinc/54/66/27/807546627.db2.gz JKBHZMYWKWRYDM-CKYFFXLPSA-N 1 0 284.306 3.061 20 5 CGBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168983383 807547218 /nfs/dbraw/zinc/54/72/18/807547218.db2.gz JTTHZIFDGODDEF-VNHYZAJKSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CC2)C1 ZINC001168987732 807548097 /nfs/dbraw/zinc/54/80/97/807548097.db2.gz JVGHXEJKHDUETE-PVXIVEMSSA-N 1 0 292.354 3.312 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001169000310 807549233 /nfs/dbraw/zinc/54/92/33/807549233.db2.gz XLHVXHLFAQHCGK-UMNHJUIQSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC001169001230 807549273 /nfs/dbraw/zinc/54/92/73/807549273.db2.gz DTWLKLISDNAFIG-HWWQOWPSSA-N 1 0 292.354 3.238 20 5 CGBDRO Cc1cccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169002559 807550653 /nfs/dbraw/zinc/55/06/53/807550653.db2.gz LAIDGNGCRMSLGG-ZFWWWQNUSA-N 1 0 274.364 3.019 20 5 CGBDRO CC(C)C[NH+](CC(C)C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010169 807552266 /nfs/dbraw/zinc/55/22/66/807552266.db2.gz ZEEFXPUPDXVKIE-ZIAGYGMSSA-N 1 0 256.390 3.046 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021966 807554242 /nfs/dbraw/zinc/55/42/42/807554242.db2.gz BMDUWLKKOVESIA-CYIKRSNASA-N 1 0 292.423 3.332 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035814 807556100 /nfs/dbraw/zinc/55/61/00/807556100.db2.gz CKOCEYLEQIHKCX-YPMHNXCESA-N 1 0 294.782 3.144 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039933 807557164 /nfs/dbraw/zinc/55/71/64/807557164.db2.gz VYHKMYKJFFAKGX-LQULJDIASA-N 1 0 284.375 3.036 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC(C)(C)CC[NH+](C)C ZINC001169718573 807697780 /nfs/dbraw/zinc/69/77/80/807697780.db2.gz XAAANEQAUPDSKE-UHFFFAOYSA-N 1 0 283.347 3.185 20 5 CGBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])ccc1Cl ZINC001169718788 807698017 /nfs/dbraw/zinc/69/80/17/807698017.db2.gz XLLBXGNJKQMYPH-UHFFFAOYSA-N 1 0 285.775 3.390 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]CCC2CCC2)c([N+](=O)[O-])c1 ZINC001170306458 807823148 /nfs/dbraw/zinc/82/31/48/807823148.db2.gz VITVGZOIMXRQGX-GFCCVEGCSA-N 1 0 292.379 3.314 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170328683 807825934 /nfs/dbraw/zinc/82/59/34/807825934.db2.gz LJZDVPUTTOGKQS-OLZOCXBDSA-N 1 0 292.379 3.409 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC[C@@H](F)C1)CC2 ZINC001172897130 808474530 /nfs/dbraw/zinc/47/45/30/808474530.db2.gz XMLSZONIQDRMKW-ILXRZTDVSA-N 1 0 292.354 3.322 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175880 808533935 /nfs/dbraw/zinc/53/39/35/808533935.db2.gz UMNPHJVURWAKHO-GHMZBOCLSA-N 1 0 298.358 3.309 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(F)(F)C1 ZINC001173210468 808537078 /nfs/dbraw/zinc/53/70/78/808537078.db2.gz LEJTULKJJYAUOL-PWSUYJOCSA-N 1 0 284.306 3.303 20 5 CGBDRO Cc1ncccc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173210375 808537956 /nfs/dbraw/zinc/53/79/56/808537956.db2.gz KAHHRYOGSLMPFT-LBPRGKRZSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2cccnc21 ZINC001173217941 808538691 /nfs/dbraw/zinc/53/86/91/808538691.db2.gz NOEFDSWXGXJWEW-BLLLJJGKSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001173221504 808539573 /nfs/dbraw/zinc/53/95/73/808539573.db2.gz JEZSWQUQDHKBBB-AEGPPILISA-N 1 0 274.364 3.258 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001173222203 808539613 /nfs/dbraw/zinc/53/96/13/808539613.db2.gz QEGGEURQVLQGJE-QKCSRTOESA-N 1 0 296.317 3.113 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001173222205 808539745 /nfs/dbraw/zinc/53/97/45/808539745.db2.gz QEGGEURQVLQGJE-SUHUHFCYSA-N 1 0 296.317 3.113 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccncc2)CC1 ZINC001173218569 808539941 /nfs/dbraw/zinc/53/99/41/808539941.db2.gz QPMWSQJETZFZNO-ZDUSSCGKSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ncccc21 ZINC001173220134 808540006 /nfs/dbraw/zinc/54/00/06/808540006.db2.gz UNWQLGZIWNMJDW-YVEFUNNKSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C=CCCC1 ZINC001173222903 808540357 /nfs/dbraw/zinc/54/03/57/808540357.db2.gz FZFFSRGMKZLJGW-GXTWGEPZSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(C)(C)C1 ZINC001173224944 808541860 /nfs/dbraw/zinc/54/18/60/808541860.db2.gz AARMFNJERYEDLA-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccnc1 ZINC001173228970 808542547 /nfs/dbraw/zinc/54/25/47/808542547.db2.gz OVLVQUGTMMFOPH-ZDUSSCGKSA-N 1 0 285.347 3.053 20 5 CGBDRO Cc1ncccc1C[N@@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229942 808542801 /nfs/dbraw/zinc/54/28/01/808542801.db2.gz CEBNCOZBGIWJBB-CYBMUJFWSA-N 1 0 299.374 3.361 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001173237734 808545637 /nfs/dbraw/zinc/54/56/37/808545637.db2.gz LSEIUIGXFBJRRD-DVOMOZLQSA-N 1 0 292.379 3.025 20 5 CGBDRO Cc1c(C[NH2+]CC[C@@H]2CC(C)(C)CO2)cccc1[N+](=O)[O-] ZINC001179580024 809931499 /nfs/dbraw/zinc/93/14/99/809931499.db2.gz ZWZZZCWXNNKXBW-CQSZACIVSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018157 810229770 /nfs/dbraw/zinc/22/97/70/810229770.db2.gz WVAGFGAHOJGACB-NWDGAFQWSA-N 1 0 295.358 3.266 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001193210170 810864603 /nfs/dbraw/zinc/86/46/03/810864603.db2.gz KQUNTPDYSVWLCC-LBPRGKRZSA-N 1 0 292.379 3.471 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC001195289375 811237475 /nfs/dbraw/zinc/23/74/75/811237475.db2.gz MAKVVOYLOQLAHS-SRVKXCTJSA-N 1 0 278.352 3.080 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCCC1 ZINC001199227945 811565554 /nfs/dbraw/zinc/56/55/54/811565554.db2.gz PLFWYYFZWJGENV-UHFFFAOYSA-N 1 0 262.353 3.491 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC001202495092 812109001 /nfs/dbraw/zinc/10/90/01/812109001.db2.gz MJEOUODIXYMDTR-ZBEGNZNMSA-N 1 0 294.395 3.362 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H]1C(C)C ZINC001204129765 812552797 /nfs/dbraw/zinc/55/27/97/812552797.db2.gz YNZIQJBYEXHRSF-GXTWGEPZSA-N 1 0 262.353 3.346 20 5 CGBDRO Cc1cc(Nc2ccccc2[N+](=O)[O-])n(-c2cc[nH+]cc2)n1 ZINC001206157846 813218712 /nfs/dbraw/zinc/21/87/12/813218712.db2.gz GDMIMEIWBQDPKX-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001217964589 816020801 /nfs/dbraw/zinc/02/08/01/816020801.db2.gz CYXSEXBEBJCZLV-WBMJQRKESA-N 1 0 278.355 3.375 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@H]3CCCC[NH2+]C3)nc2c1 ZINC001217969920 816023100 /nfs/dbraw/zinc/02/31/00/816023100.db2.gz FZXCLUPORANVQJ-ZDUSSCGKSA-N 1 0 293.370 3.304 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001218027022 816061760 /nfs/dbraw/zinc/06/17/60/816061760.db2.gz LQKFMSZOWKSLTH-ONGXEEELSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218091811 816092847 /nfs/dbraw/zinc/09/28/47/816092847.db2.gz GRHWMVVDFDPDEE-GDBMZVCRSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc1Cl ZINC001218095377 816095437 /nfs/dbraw/zinc/09/54/37/816095437.db2.gz PKFSJZOKKSEZSF-UONOGXRCSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218096840 816096807 /nfs/dbraw/zinc/09/68/07/816096807.db2.gz UXVXKMROEADCKP-KBPBESRZSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218104498 816100187 /nfs/dbraw/zinc/10/01/87/816100187.db2.gz YVFSKUDZNTZOBI-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001218113478 816102087 /nfs/dbraw/zinc/10/20/87/816102087.db2.gz AEHDZIOJBCVVNF-SJORKVTESA-N 1 0 298.342 3.269 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001218177421 816118456 /nfs/dbraw/zinc/11/84/56/816118456.db2.gz OMGZGBVNLSJJMJ-INIZCTEOSA-N 1 0 284.315 3.003 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)CC1 ZINC001218192901 816122400 /nfs/dbraw/zinc/12/24/00/816122400.db2.gz XRJZWMOZXKPPOF-HDJSIYSDSA-N 1 0 292.379 3.429 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CCC3(C[NH2+]C3)CC2)c(Cl)c1 ZINC001218262463 816144816 /nfs/dbraw/zinc/14/48/16/816144816.db2.gz MDABSVGVFIUVDS-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@H]2CCC[NH2+]C2)cc1Cl ZINC001218283845 816151995 /nfs/dbraw/zinc/15/19/95/816151995.db2.gz ROTCLBDRCWLGEQ-ZETCQYMHSA-N 1 0 291.134 3.032 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308345 816159649 /nfs/dbraw/zinc/15/96/49/816159649.db2.gz GYMWZUNCJSLKRI-CYBMUJFWSA-N 1 0 290.363 3.265 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)ccc2ccccc21 ZINC001218468535 816228732 /nfs/dbraw/zinc/22/87/32/816228732.db2.gz SCZVQMUMTRAACB-VHDGCEQUSA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1cc(O[C@H]2C[NH2+]Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001218485245 816241195 /nfs/dbraw/zinc/24/11/95/816241195.db2.gz FZIZXQJMSSLMTA-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO CC(C)(C)[NH+]1CCC(OCc2cccc([N+](=O)[O-])c2)CC1 ZINC001222770093 816515134 /nfs/dbraw/zinc/51/51/34/816515134.db2.gz CVQKTDZPVWQFAU-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO C[N+](C)(C)CCO[C@H]1CCc2ccc(Cl)cc21 ZINC001224772737 816878253 /nfs/dbraw/zinc/87/82/53/816878253.db2.gz CCLFFBCFUWTZMX-AWEZNQCLSA-N 1 0 254.781 3.050 20 5 CGBDRO C[C@H](CCO[C@@H](C)C[N+](C)(C)C)c1ccccc1 ZINC001224995813 816925171 /nfs/dbraw/zinc/92/51/71/816925171.db2.gz XILUFWXXZGMZOO-CABCVRRESA-N 1 0 250.406 3.292 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(Cl)cccc1Cl ZINC001225207993 816961387 /nfs/dbraw/zinc/96/13/87/816961387.db2.gz VXGYAQCUEOOFHZ-SECBINFHSA-N 1 0 263.188 3.467 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(C(F)(F)F)c1 ZINC001225239435 816976123 /nfs/dbraw/zinc/97/61/23/816976123.db2.gz ZVBXWIGXROWUQR-SNVBAGLBSA-N 1 0 262.295 3.179 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc(C)c1[N+](=O)[O-] ZINC001225634087 817121157 /nfs/dbraw/zinc/12/11/57/817121157.db2.gz ZUDJEJIFNKLHQY-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225710714 817151813 /nfs/dbraw/zinc/15/18/13/817151813.db2.gz OCRUDPJUXQIDJG-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(=O)c1ccccc1 ZINC001225978464 817236689 /nfs/dbraw/zinc/23/66/89/817236689.db2.gz MDAZNRYUQHUGBQ-HNNXBMFYSA-N 1 0 298.406 3.391 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001226843133 817482502 /nfs/dbraw/zinc/48/25/02/817482502.db2.gz GKKKWGUDBYDCGR-AWEZNQCLSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)nc2ccccc12 ZINC001227049128 817543757 /nfs/dbraw/zinc/54/37/57/817543757.db2.gz OAJKTLWOEZTDPA-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO O=[N+]([O-])c1ccccc1O[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227482951 817658911 /nfs/dbraw/zinc/65/89/11/817658911.db2.gz PRAQBYGYCCZACU-HNNXBMFYSA-N 1 0 298.342 3.248 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)cc1C(F)(F)F ZINC001227710720 817701065 /nfs/dbraw/zinc/70/10/65/817701065.db2.gz AHSJGZKLKFNDES-VIFPVBQESA-N 1 0 280.285 3.318 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1cccc2nc3ccccc3nc21 ZINC001228518297 817926342 /nfs/dbraw/zinc/92/63/42/817926342.db2.gz FPUNUAULKXSFNT-LBPRGKRZSA-N 1 0 281.359 3.112 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001228757588 818000583 /nfs/dbraw/zinc/00/05/83/818000583.db2.gz VRUMCVIPYFJPTI-PEGIJTEDSA-N 1 0 296.754 3.252 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228838075 818017655 /nfs/dbraw/zinc/01/76/55/818017655.db2.gz LKVJKYJKPGVWHS-AWEZNQCLSA-N 1 0 278.352 3.155 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@H]2C[NH2+][C@@H]2C1 ZINC001236281491 819413257 /nfs/dbraw/zinc/41/32/57/819413257.db2.gz HHQHHIUWIKBKFQ-OXQOHEQNSA-N 1 0 288.394 3.397 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(C3=CC[NH2+]CC3)nc12 ZINC001240465881 821074751 /nfs/dbraw/zinc/07/47/51/821074751.db2.gz WNPALHJSCWHJHF-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001340052324 936396432 /nfs/dbraw/zinc/39/64/32/936396432.db2.gz PREVLISHKVLEBK-ZDUSSCGKSA-N 1 0 279.384 3.436 20 5 CGBDRO COC1(CN2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001343584649 936507127 /nfs/dbraw/zinc/50/71/27/936507127.db2.gz ORQQGHSXDZHZMF-UHFFFAOYSA-N 1 0 290.363 3.260 20 5 CGBDRO CCN(CCC[NH+](C)C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001560811762 937237760 /nfs/dbraw/zinc/23/77/60/937237760.db2.gz WRBPAKDZKDWOPA-UHFFFAOYSA-N 1 0 299.802 3.022 20 5 CGBDRO CCC(C)(C)[NH+]1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001458457249 937463483 /nfs/dbraw/zinc/46/34/83/937463483.db2.gz VMUOVKFXMFHGEF-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC001458491421 937465793 /nfs/dbraw/zinc/46/57/93/937465793.db2.gz QDOSDLKXCZCPDG-UONOGXRCSA-N 1 0 293.342 3.019 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229119112 932100572 /nfs/dbraw/zinc/10/05/72/932100572.db2.gz KXVVEJXJPCGINZ-NHAQELONSA-N 1 0 278.352 3.043 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC1CC[NH+](C2CC2)CC1 ZINC001229197335 932114773 /nfs/dbraw/zinc/11/47/73/932114773.db2.gz FDKJETHSZLZVNU-UHFFFAOYSA-N 1 0 294.326 3.048 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)c2ccccc21 ZINC001229482352 932158340 /nfs/dbraw/zinc/15/83/40/932158340.db2.gz DJERNHICZZEKAE-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001461235028 937571470 /nfs/dbraw/zinc/57/14/70/937571470.db2.gz PJNIBQJTEBFCQQ-HNNXBMFYSA-N 1 0 271.320 3.231 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001461834620 937600514 /nfs/dbraw/zinc/60/05/14/937600514.db2.gz VMIYOYVOEJBQQW-ZDUSSCGKSA-N 1 0 293.411 3.113 20 5 CGBDRO CC[C@@](C)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC001461874364 937603226 /nfs/dbraw/zinc/60/32/26/937603226.db2.gz XUZGOACBXHJEQP-INIZCTEOSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2ccc(Cl)cc2c1 ZINC001230591146 932594870 /nfs/dbraw/zinc/59/48/70/932594870.db2.gz OATLZJKEPORDHF-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccnc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001462547845 937649396 /nfs/dbraw/zinc/64/93/96/937649396.db2.gz PBHONWFXMJDCID-CQSZACIVSA-N 1 0 299.374 3.409 20 5 CGBDRO C[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC001308136377 933055077 /nfs/dbraw/zinc/05/50/77/933055077.db2.gz LUGWKZFITBGNJU-QMMMGPOBSA-N 1 0 270.279 3.151 20 5 CGBDRO Cc1c(C[N@@H+]2CCCC[C@]23CCOC3)cccc1[N+](=O)[O-] ZINC001308167929 933062863 /nfs/dbraw/zinc/06/28/63/933062863.db2.gz YUCNQYZNKDRYKQ-MRXNPFEDSA-N 1 0 290.363 3.048 20 5 CGBDRO C[C@H](C[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001473714259 937818918 /nfs/dbraw/zinc/81/89/18/937818918.db2.gz ORTZDOLHEGRUON-MLGOLLRUSA-N 1 0 294.395 3.074 20 5 CGBDRO C[C@H](C[NH2+]C[C@@]1(C)CCCCO1)c1ccccc1[N+](=O)[O-] ZINC001474727682 937877406 /nfs/dbraw/zinc/87/74/06/937877406.db2.gz KBDCNOFPBHJVOL-CZUORRHYSA-N 1 0 292.379 3.247 20 5 CGBDRO CCC[N@H+](CC)CCNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001560362699 938255403 /nfs/dbraw/zinc/25/54/03/938255403.db2.gz WHYLXAQMINLJQK-UHFFFAOYSA-N 1 0 293.411 3.033 20 5 CGBDRO C[C@H]([NH3+])c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC001576169587 962442121 /nfs/dbraw/zinc/44/21/21/962442121.db2.gz RIRQBRNTFFKYDI-NSHDSACASA-N 1 0 271.320 3.227 20 5 CGBDRO O=[N+]([O-])c1ccc(SCC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC001580875415 962740623 /nfs/dbraw/zinc/74/06/23/962740623.db2.gz KPSMAYBRZIPRFW-SNVBAGLBSA-N 1 0 284.356 3.216 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](CC)OC)cc1[N+](=O)[O-] ZINC000290093439 197592899 /nfs/dbraw/zinc/59/28/99/197592899.db2.gz HNJBKROJRZDSOD-YPMHNXCESA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127842139 187336759 /nfs/dbraw/zinc/33/67/59/187336759.db2.gz TVZBVHOPOIKTSX-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@@H]1C ZINC000414116583 529607730 /nfs/dbraw/zinc/60/77/30/529607730.db2.gz QWWNFOBYLWMETK-YUTCNCBUSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1C[C@H]1C ZINC000414080975 529624363 /nfs/dbraw/zinc/62/43/63/529624363.db2.gz UBZFRGGXNIAHBK-HONMWMINSA-N 1 0 278.352 3.128 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000126177757 187222564 /nfs/dbraw/zinc/22/25/64/187222564.db2.gz PKGOTKWJSKMHAZ-STQMWFEESA-N 1 0 292.379 3.369 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223437324 282281852 /nfs/dbraw/zinc/28/18/52/282281852.db2.gz LHTQNGLCWIDTNV-IAQYHMDHSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[N@H+](CCSC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000592200178 346971223 /nfs/dbraw/zinc/97/12/23/346971223.db2.gz MXEXJCKJSILTFT-LLVKDONJSA-N 1 0 268.382 3.341 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592379680 346980868 /nfs/dbraw/zinc/98/08/68/346980868.db2.gz MXYPBSDBPGTAMC-YRGRVCCFSA-N 1 0 290.363 3.272 20 5 CGBDRO CC(C)C[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000045769923 345029973 /nfs/dbraw/zinc/02/99/73/345029973.db2.gz KPDRPWHNDGIGKR-GFCCVEGCSA-N 1 0 250.342 3.461 20 5 CGBDRO CC(C)C[C@H](CNc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000064029394 345256721 /nfs/dbraw/zinc/25/67/21/345256721.db2.gz NIBXJSINLWUVNP-SNVBAGLBSA-N 1 0 271.386 3.045 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000063618926 345250101 /nfs/dbraw/zinc/25/01/01/345250101.db2.gz DRVSRZAWIFBFBV-HNNXBMFYSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1csc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000080312339 345670793 /nfs/dbraw/zinc/67/07/93/345670793.db2.gz GWOPWDQVRIKXSE-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO C[NH+](C)CCc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC000091482574 345816752 /nfs/dbraw/zinc/81/67/52/345816752.db2.gz YTGVMSABDJYZAU-UHFFFAOYSA-N 1 0 285.347 3.443 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000088700195 345763185 /nfs/dbraw/zinc/76/31/85/345763185.db2.gz KFIRTHKUTPNFCS-UHFFFAOYSA-N 1 0 291.395 3.212 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccncc2C)cc1[N+](=O)[O-] ZINC000090846716 345795244 /nfs/dbraw/zinc/79/52/44/345795244.db2.gz OPICODRCHFNCHM-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000156170180 346157651 /nfs/dbraw/zinc/15/76/51/346157651.db2.gz VDVGDJDWYMDHHE-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000279973826 346417281 /nfs/dbraw/zinc/41/72/81/346417281.db2.gz DDWXWGSONNFVIR-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H](CC[NH+](C)C)Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000312569653 346477714 /nfs/dbraw/zinc/47/77/14/346477714.db2.gz LIHWXPIMEDOSOY-SECBINFHSA-N 1 0 287.310 3.285 20 5 CGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000324052721 346490353 /nfs/dbraw/zinc/49/03/53/346490353.db2.gz YOSOSFUDQAPQND-CQSZACIVSA-N 1 0 266.316 3.258 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401215653 346591890 /nfs/dbraw/zinc/59/18/90/346591890.db2.gz UTZDCIXIOMVDRB-NSHDSACASA-N 1 0 298.362 3.051 20 5 CGBDRO C[C@H](F)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000351757488 219196917 /nfs/dbraw/zinc/19/69/17/219196917.db2.gz NMTAEAXBTAMSPV-NSHDSACASA-N 1 0 266.316 3.307 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718091 347107631 /nfs/dbraw/zinc/10/76/31/347107631.db2.gz KBDIAZCPEVGTML-CHWSQXEVSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594042501 347143566 /nfs/dbraw/zinc/14/35/66/347143566.db2.gz JQRRUYZQOSGSPF-HUUCEWRRSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H](C)SC2)cccc1[N+](=O)[O-] ZINC000594499789 347180039 /nfs/dbraw/zinc/18/00/39/347180039.db2.gz JVAYWMSCFUEZCT-GXFFZTMASA-N 1 0 280.393 3.277 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=CCCC1 ZINC000594990573 347250420 /nfs/dbraw/zinc/25/04/20/347250420.db2.gz SWQULFMYSPJUDF-UHFFFAOYSA-N 1 0 276.336 3.193 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCCCCC1 ZINC000595286459 347286580 /nfs/dbraw/zinc/28/65/80/347286580.db2.gz IHJQKHPWJGOTRL-UHFFFAOYSA-N 1 0 252.289 3.110 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000595005122 347254545 /nfs/dbraw/zinc/25/45/45/347254545.db2.gz DAKJGXKJXLPMKB-GHMZBOCLSA-N 1 0 278.352 3.300 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000595011990 347256485 /nfs/dbraw/zinc/25/64/85/347256485.db2.gz ALQOVPOIDSTRDH-MJVIPROJSA-N 1 0 278.352 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)SC ZINC000595035990 347265387 /nfs/dbraw/zinc/26/53/87/347265387.db2.gz OTIXHUXBYVWOAF-VHSXEESVSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000595046253 347268660 /nfs/dbraw/zinc/26/86/60/347268660.db2.gz YYGYQLOAHLHCJV-YFKTTZPYSA-N 1 0 276.336 3.053 20 5 CGBDRO COC1CC(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595047623 347268854 /nfs/dbraw/zinc/26/88/54/347268854.db2.gz DCCUXXKEQMSMLR-DNOWBOINSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@@H](COCC1CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595056648 347271572 /nfs/dbraw/zinc/27/15/72/347271572.db2.gz OZVLEQQFHCTMAO-DOMZBBRYSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000595598516 347323564 /nfs/dbraw/zinc/32/35/64/347323564.db2.gz FQVHSUZJZRQPMP-SNVBAGLBSA-N 1 0 284.331 3.363 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688453 347337167 /nfs/dbraw/zinc/33/71/67/347337167.db2.gz GZMXTKBUTBYFPJ-WQVCFCJDSA-N 1 0 290.363 3.014 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454129 347305864 /nfs/dbraw/zinc/30/58/64/347305864.db2.gz JEKKQQADRASICV-SKDRFNHKSA-N 1 0 252.289 3.012 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC=CC1 ZINC000595477457 347309149 /nfs/dbraw/zinc/30/91/49/347309149.db2.gz TWMAQMZSLXLEDM-UHFFFAOYSA-N 1 0 260.337 3.035 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512461 347314341 /nfs/dbraw/zinc/31/43/41/347314341.db2.gz OELSHNPEWPGRIK-ZFWWWQNUSA-N 1 0 296.342 3.027 20 5 CGBDRO Cc1noc(C[N@H+]2CCC[C@@]2(C)CC(C)C)c1[N+](=O)[O-] ZINC000595535065 347316214 /nfs/dbraw/zinc/31/62/14/347316214.db2.gz YAXRVYBSWGEZHH-AWEZNQCLSA-N 1 0 281.356 3.292 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000595548966 347318378 /nfs/dbraw/zinc/31/83/78/347318378.db2.gz BILXDXXMWCAEBK-VWYCJHECSA-N 1 0 266.316 3.210 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1=CCSC1 ZINC000595895623 347370601 /nfs/dbraw/zinc/37/06/01/347370601.db2.gz QTSFOPBLDQXNLJ-NSHDSACASA-N 1 0 278.377 3.261 20 5 CGBDRO COCC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000595908699 347371463 /nfs/dbraw/zinc/37/14/63/347371463.db2.gz JVDHDIIQOIHQKQ-UHFFFAOYSA-N 1 0 296.342 3.173 20 5 CGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093647 347382736 /nfs/dbraw/zinc/38/27/36/347382736.db2.gz CSZVEPNULDHNNC-LBPRGKRZSA-N 1 0 297.424 3.497 20 5 CGBDRO C[C@@H](CCNc1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596425626 347453780 /nfs/dbraw/zinc/45/37/80/347453780.db2.gz SOWRYAKRVHUECD-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000597059653 347532185 /nfs/dbraw/zinc/53/21/85/347532185.db2.gz NCQPZQNGATZJFY-PJODQICGSA-N 1 0 290.363 3.121 20 5 CGBDRO COCCC1C[NH+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000597183065 347545930 /nfs/dbraw/zinc/54/59/30/347545930.db2.gz IYQPTAHNCNSHJL-UHFFFAOYSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OCC ZINC000598989252 347704086 /nfs/dbraw/zinc/70/40/86/347704086.db2.gz FBMOVBAYAMDOKA-OAHLLOKOSA-N 1 0 280.368 3.198 20 5 CGBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000599006552 347706331 /nfs/dbraw/zinc/70/63/31/347706331.db2.gz YPLNKEHOZNKQKS-NHAGDIPZSA-N 1 0 260.337 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CCC(C)C ZINC000599070246 347714060 /nfs/dbraw/zinc/71/40/60/347714060.db2.gz XQEKUBLATIZGKU-KBPBESRZSA-N 1 0 294.395 3.351 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599072253 347714677 /nfs/dbraw/zinc/71/46/77/347714677.db2.gz HNYSGXDVEHQPFH-XHSDSOJGSA-N 1 0 290.363 3.129 20 5 CGBDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000599354507 347739111 /nfs/dbraw/zinc/73/91/11/347739111.db2.gz PPIZYMSYQIAQIY-WBMJQRKESA-N 1 0 292.379 3.369 20 5 CGBDRO COCCC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000600188124 347791832 /nfs/dbraw/zinc/79/18/32/347791832.db2.gz JWVCPOODAOIUSQ-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO Cc1cc(-c2ccc([N+](=O)[O-])nc2)ccc1[C@H]1CCC[NH2+]1 ZINC000600790029 347836765 /nfs/dbraw/zinc/83/67/65/347836765.db2.gz WYXXZDKVMXQNDA-OAHLLOKOSA-N 1 0 283.331 3.390 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601108903 347870434 /nfs/dbraw/zinc/87/04/34/347870434.db2.gz OKPNBKKGVCTQQO-LLVKDONJSA-N 1 0 283.397 3.189 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@]23C[C@@H]2CCCC3)cs1 ZINC000601149318 347874881 /nfs/dbraw/zinc/87/48/81/347874881.db2.gz LAGMYHGBFDOABV-JQWIXIFHSA-N 1 0 252.339 3.079 20 5 CGBDRO CCn1ccnc1[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000601171377 347877608 /nfs/dbraw/zinc/87/76/08/347877608.db2.gz KLBIGRMNTXGSMJ-MRVPVSSYSA-N 1 0 266.326 3.046 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601288906 347889507 /nfs/dbraw/zinc/88/95/07/347889507.db2.gz FMNMLZZKGHVHEC-CZUORRHYSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602637569 347998344 /nfs/dbraw/zinc/99/83/44/347998344.db2.gz FRMORTZPLWHNAX-WDEREUQCSA-N 1 0 289.335 3.262 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C(C)C)C1CCCCC1 ZINC000602789142 348029187 /nfs/dbraw/zinc/02/91/87/348029187.db2.gz YDBKDWNBODTDBO-UHFFFAOYSA-N 1 0 294.399 3.143 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000602857731 348037211 /nfs/dbraw/zinc/03/72/11/348037211.db2.gz YPYULUGKWRYMAS-OAHLLOKOSA-N 1 0 297.358 3.369 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356850435 232844387 /nfs/dbraw/zinc/84/43/87/232844387.db2.gz QLTAYLCYCCYTKP-GUTXKFCHSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[NH+](CC)[C@H](CNc1cccnc1[N+](=O)[O-])CC(C)C ZINC000603845632 348098075 /nfs/dbraw/zinc/09/80/75/348098075.db2.gz CGTVLIBXCDTWMF-ZDUSSCGKSA-N 1 0 294.399 3.158 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610830955 348405139 /nfs/dbraw/zinc/40/51/39/348405139.db2.gz NIXXQMVTKVIERZ-OLZOCXBDSA-N 1 0 285.347 3.444 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000610988187 348414201 /nfs/dbraw/zinc/41/42/01/348414201.db2.gz VAHYSDCFDZVJFA-JTQLQIEISA-N 1 0 299.321 3.159 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582307 348391077 /nfs/dbraw/zinc/39/10/77/348391077.db2.gz GJYDGSOMJMVVHE-QWRGUYRKSA-N 1 0 289.335 3.356 20 5 CGBDRO CCCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581341 348391271 /nfs/dbraw/zinc/39/12/71/348391271.db2.gz CFCLERPVVXLKFN-UHFFFAOYSA-N 1 0 277.324 3.404 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000610717450 348399061 /nfs/dbraw/zinc/39/90/61/348399061.db2.gz RUQMGPWBGXXYKB-HNNXBMFYSA-N 1 0 292.379 3.280 20 5 CGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204949 348428560 /nfs/dbraw/zinc/42/85/60/348428560.db2.gz CGQPJHHAELXBNT-OLZOCXBDSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319654 348437791 /nfs/dbraw/zinc/43/77/91/348437791.db2.gz KBZDSEBTFDEKQU-QWRGUYRKSA-N 1 0 289.335 3.499 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)CCCOC1 ZINC000357867649 233018440 /nfs/dbraw/zinc/01/84/40/233018440.db2.gz KWXVLHUOSDPFQD-CZUORRHYSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219067 348659106 /nfs/dbraw/zinc/65/91/06/348659106.db2.gz KHIPXLCZHMQESL-ZWNOBZJWSA-N 1 0 289.335 3.356 20 5 CGBDRO CC[C@@]1([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCOC1 ZINC000616487684 348824923 /nfs/dbraw/zinc/82/49/23/348824923.db2.gz AKFFCMCLAPAUEB-MRXNPFEDSA-N 1 0 292.379 3.377 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCCO1)CCC2 ZINC000618561907 349105887 /nfs/dbraw/zinc/10/58/87/349105887.db2.gz CLHVIBCYTLIPER-ZBFHGGJFSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1sccc1NC1CC([NH+]2CCCCC2)C1 ZINC000619503661 349254817 /nfs/dbraw/zinc/25/48/17/349254817.db2.gz OLACATUBTJIEGI-UHFFFAOYSA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000122263076 187023319 /nfs/dbraw/zinc/02/33/19/187023319.db2.gz IYFAUUMZQMYZDX-UWVGGRQHSA-N 1 0 295.770 3.285 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000123069350 187069458 /nfs/dbraw/zinc/06/94/58/187069458.db2.gz SARCWKWWEDTSOZ-AOOOYVTPSA-N 1 0 252.289 3.107 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122717832 187047400 /nfs/dbraw/zinc/04/74/00/187047400.db2.gz ISWIYKCYGWTBAC-NEPJUHHUSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000271523909 191190585 /nfs/dbraw/zinc/19/05/85/191190585.db2.gz QXIVHSRBFOOKKL-WCQYABFASA-N 1 0 280.393 3.011 20 5 CGBDRO CCOCCC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152509995 188024837 /nfs/dbraw/zinc/02/48/37/188024837.db2.gz KGWKGQLCEKRSGK-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](CC)COC)cc1[N+](=O)[O-] ZINC000153900829 188110675 /nfs/dbraw/zinc/11/06/75/188110675.db2.gz QHNRONUUQBDFLQ-YPMHNXCESA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564546 188269127 /nfs/dbraw/zinc/26/91/27/188269127.db2.gz UMUXGTWZPATWJF-VNHYZAJKSA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1cnc(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000157710407 188334143 /nfs/dbraw/zinc/33/41/43/188334143.db2.gz JPNKEBJITHCBDV-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292704543 198383142 /nfs/dbraw/zinc/38/31/42/198383142.db2.gz CSQLTZYKZCGCRG-UONOGXRCSA-N 1 0 296.317 3.380 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cncs2)cc1[N+](=O)[O-] ZINC000411469404 235058408 /nfs/dbraw/zinc/05/84/08/235058408.db2.gz ADJPCYURKSNCBS-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173454794 188855138 /nfs/dbraw/zinc/85/51/38/188855138.db2.gz HQQWZVRQTINRRS-STQMWFEESA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424341564 236153844 /nfs/dbraw/zinc/15/38/44/236153844.db2.gz DNNVQHWBVHYWHS-REBRKWNGSA-N 1 0 274.364 3.304 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H](C)C1 ZINC000436405809 237097763 /nfs/dbraw/zinc/09/77/63/237097763.db2.gz FIHSJIOWSABNAF-WCQYABFASA-N 1 0 278.352 3.272 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000298682132 200502502 /nfs/dbraw/zinc/50/25/02/200502502.db2.gz ADEGMDAMTXZIKE-NSHDSACASA-N 1 0 266.341 3.080 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178435224 189116417 /nfs/dbraw/zinc/11/64/17/189116417.db2.gz FTHORJGJLLAGNX-SMDDNHRTSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000178799095 189146938 /nfs/dbraw/zinc/14/69/38/189146938.db2.gz WYNGJPFKRRAATI-CYBMUJFWSA-N 1 0 285.347 3.273 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000342275162 216286104 /nfs/dbraw/zinc/28/61/04/216286104.db2.gz AGPGUDCHGWNLOS-NXEZZACHSA-N 1 0 272.707 3.228 20 5 CGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000342295902 216296615 /nfs/dbraw/zinc/29/66/15/216296615.db2.gz PYOJAZPKNQNTSV-LBPRGKRZSA-N 1 0 295.358 3.045 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181235718 189291868 /nfs/dbraw/zinc/29/18/68/189291868.db2.gz FASULSKILDQAND-CHWSQXEVSA-N 1 0 280.368 3.369 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181235737 189291959 /nfs/dbraw/zinc/29/19/59/189291959.db2.gz FASULSKILDQAND-OLZOCXBDSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCC[C@H]1C ZINC000301456733 201016565 /nfs/dbraw/zinc/01/65/65/201016565.db2.gz WYZDPYGMNNWNTR-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc([C@@H](C)NCC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844322 189308209 /nfs/dbraw/zinc/30/82/09/189308209.db2.gz PAWVDTJPXDPUGX-HIFRSBDPSA-N 1 0 291.395 3.038 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301507565 201037915 /nfs/dbraw/zinc/03/79/15/201037915.db2.gz DFUQXJJPYJRFLF-QWRGUYRKSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301571326 201073861 /nfs/dbraw/zinc/07/38/61/201073861.db2.gz KYAHNNAVBGFAQF-OLZOCXBDSA-N 1 0 277.368 3.188 20 5 CGBDRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182823233 189336317 /nfs/dbraw/zinc/33/63/17/189336317.db2.gz YQCDJVZXLPFDON-UONOGXRCSA-N 1 0 292.379 3.323 20 5 CGBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000302006305 201295286 /nfs/dbraw/zinc/29/52/86/201295286.db2.gz VRQHVUWGIIWJGK-QWRGUYRKSA-N 1 0 283.397 3.189 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119704331 370699712 /nfs/dbraw/zinc/69/97/12/370699712.db2.gz ILYGRKWYNCCGOA-KYOSRNDESA-N 1 0 278.352 3.061 20 5 CGBDRO COC[C@@]1(C)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451198526 240249466 /nfs/dbraw/zinc/24/94/66/240249466.db2.gz BXHNTFHKDPTPOP-AWEZNQCLSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CCC12CCCC2 ZINC000451452186 240304705 /nfs/dbraw/zinc/30/47/05/240304705.db2.gz CMDILWCUOFPBFK-OAHLLOKOSA-N 1 0 290.363 3.286 20 5 CGBDRO CCO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451533331 240318554 /nfs/dbraw/zinc/31/85/54/240318554.db2.gz WIYBPUNLUQQWSK-XJKCOSOUSA-N 1 0 292.379 3.403 20 5 CGBDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000222234591 189730265 /nfs/dbraw/zinc/73/02/65/189730265.db2.gz CQBQYRVKLCZSMO-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO CCC[C@H]([NH2+]CCC[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222524494 189731486 /nfs/dbraw/zinc/73/14/86/189731486.db2.gz FBRGQBHDRCSBMO-CJNGLKHVSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOC[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000459705240 242188411 /nfs/dbraw/zinc/18/84/11/242188411.db2.gz HSTBFWRSDZHQKO-HNNXBMFYSA-N 1 0 292.379 3.294 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000247189753 299383270 /nfs/dbraw/zinc/38/32/70/299383270.db2.gz UHZJUMZMILBMQT-DANNLKNASA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000481593240 243199208 /nfs/dbraw/zinc/19/92/08/243199208.db2.gz DIFMMTKPWSYSFW-CYBMUJFWSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000481593242 243199718 /nfs/dbraw/zinc/19/97/18/243199718.db2.gz DIFMMTKPWSYSFW-ZDUSSCGKSA-N 1 0 262.353 3.259 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC([NH+]3CCCCC3)C2)c1 ZINC000480841366 243167666 /nfs/dbraw/zinc/16/76/66/243167666.db2.gz HQOZQXQHCVSFEB-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000483093786 243259224 /nfs/dbraw/zinc/25/92/24/243259224.db2.gz BXPBSENKEADHJJ-ZDUSSCGKSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000483871713 243302254 /nfs/dbraw/zinc/30/22/54/243302254.db2.gz PVOSPDCREOECJI-OSAQELSMSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[C@H]([NH2+]CCN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000020024041 368793265 /nfs/dbraw/zinc/79/32/65/368793265.db2.gz NHVJRDZKZTUGCS-INIZCTEOSA-N 1 0 293.411 3.367 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000020087714 368798960 /nfs/dbraw/zinc/79/89/60/368798960.db2.gz HFLGYNNEJMTIKL-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[C@@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036308385 369015833 /nfs/dbraw/zinc/01/58/33/369015833.db2.gz IUTCZGRWXDFMKT-OAHLLOKOSA-N 1 0 278.352 3.205 20 5 CGBDRO COc1cccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000037680317 369099027 /nfs/dbraw/zinc/09/90/27/369099027.db2.gz JGKANYAUUPEYTD-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CCCCOCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000040506705 369159728 /nfs/dbraw/zinc/15/97/28/369159728.db2.gz BJZVHBJOPLABOT-OAHLLOKOSA-N 1 0 280.368 3.452 20 5 CGBDRO Cc1occc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000055055244 369509325 /nfs/dbraw/zinc/50/93/25/369509325.db2.gz VKQKVKMCIQOEAG-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO C[C@@H]([NH2+]CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000063099209 369639932 /nfs/dbraw/zinc/63/99/32/369639932.db2.gz JVPBLFQDZSNQED-MRVPVSSYSA-N 1 0 262.231 3.198 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000068836548 369749653 /nfs/dbraw/zinc/74/96/53/369749653.db2.gz BKDXHQCAPAQMDB-HNNXBMFYSA-N 1 0 299.374 3.180 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccn1 ZINC000072835960 369841086 /nfs/dbraw/zinc/84/10/86/369841086.db2.gz DRPHOTSQLQARFN-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090087658 370054138 /nfs/dbraw/zinc/05/41/38/370054138.db2.gz UPQKUGBMZZUSIO-NEPJUHHUSA-N 1 0 280.368 3.043 20 5 CGBDRO CCC[C@@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000111159271 370392984 /nfs/dbraw/zinc/39/29/84/370392984.db2.gz RRPFWMDUAFITNH-MRXNPFEDSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000511713399 245002258 /nfs/dbraw/zinc/00/22/58/245002258.db2.gz QEIUENGSZMUEEF-HZSPNIEDSA-N 1 0 291.395 3.373 20 5 CGBDRO CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131906080 371138989 /nfs/dbraw/zinc/13/89/89/371138989.db2.gz NILGICINBAZWRQ-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134604667 371352899 /nfs/dbraw/zinc/35/28/99/371352899.db2.gz QSJVWQBOUJXBCC-OAHLLOKOSA-N 1 0 294.420 3.355 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151000726 371556718 /nfs/dbraw/zinc/55/67/18/371556718.db2.gz JFDKTNRCLOYQLN-GHMZBOCLSA-N 1 0 268.382 3.305 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151001226 371556990 /nfs/dbraw/zinc/55/69/90/371556990.db2.gz RPTUKWSWWRGASL-MWLCHTKSSA-N 1 0 268.382 3.305 20 5 CGBDRO CSC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151000691 371557532 /nfs/dbraw/zinc/55/75/32/371557532.db2.gz JFDKTNRCLOYQLN-QWRGUYRKSA-N 1 0 268.382 3.305 20 5 CGBDRO COCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344091564 217048098 /nfs/dbraw/zinc/04/80/98/217048098.db2.gz DLTVLNDQRZCQEI-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO Cc1ccc(CN(Cc2cccnc2)C2CC2)cc1[N+](=O)[O-] ZINC000290579070 372020491 /nfs/dbraw/zinc/02/04/91/372020491.db2.gz UJVZGZKZPDURIQ-UHFFFAOYSA-N 1 0 297.358 3.463 20 5 CGBDRO CC(C)[N@@H+]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344222648 217104294 /nfs/dbraw/zinc/10/42/94/217104294.db2.gz TWPXCJKYIWAZRN-CQSZACIVSA-N 1 0 291.395 3.072 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000159993169 372201683 /nfs/dbraw/zinc/20/16/83/372201683.db2.gz SUSRPXAOYXAIMX-NSHDSACASA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1c(C[N@@H+]2CCCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293074516 372292615 /nfs/dbraw/zinc/29/26/15/372292615.db2.gz JDHUALXDDYWVSF-MRXNPFEDSA-N 1 0 292.379 3.150 20 5 CGBDRO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325281 372356209 /nfs/dbraw/zinc/35/62/09/372356209.db2.gz XTAVVFWLPDFBKM-XJKSGUPXSA-N 1 0 292.379 3.403 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)COC)c1cccc([N+](=O)[O-])c1 ZINC000293361117 372364198 /nfs/dbraw/zinc/36/41/98/372364198.db2.gz HKEQRJDULBAJFW-CQSZACIVSA-N 1 0 280.368 3.308 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000164084270 372505618 /nfs/dbraw/zinc/50/56/18/372505618.db2.gz UVVLCVSNHDRJAT-JQWIXIFHSA-N 1 0 268.382 3.387 20 5 CGBDRO CCOCCCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000165123875 372544368 /nfs/dbraw/zinc/54/43/68/372544368.db2.gz PQIKIZSEATZAQJ-OAHLLOKOSA-N 1 0 280.368 3.452 20 5 CGBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433800075 372633358 /nfs/dbraw/zinc/63/33/58/372633358.db2.gz BCFGNJPUFKWWSK-ZDUSSCGKSA-N 1 0 275.352 3.024 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC(C)(C)C1 ZINC000434908380 372718472 /nfs/dbraw/zinc/71/84/72/372718472.db2.gz ADKLCLATERLTQX-LLVKDONJSA-N 1 0 280.393 3.483 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353593333 220178879 /nfs/dbraw/zinc/17/88/79/220178879.db2.gz CZDLHLUERSHRRU-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000298682126 373380016 /nfs/dbraw/zinc/38/00/16/373380016.db2.gz ADEGMDAMTXZIKE-LLVKDONJSA-N 1 0 266.341 3.080 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccco1)CCC2 ZINC000447520469 373443561 /nfs/dbraw/zinc/44/35/61/373443561.db2.gz KLCXINSMHCJLCY-MRXNPFEDSA-N 1 0 286.331 3.398 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000449424254 373695917 /nfs/dbraw/zinc/69/59/17/373695917.db2.gz DIFNMKPVQAMYNI-CYBMUJFWSA-N 1 0 294.395 3.359 20 5 CGBDRO CS[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449447005 373725814 /nfs/dbraw/zinc/72/58/14/373725814.db2.gz VQCVIWCFMWSNMN-RYWCDNDXSA-N 1 0 278.377 3.045 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000301279544 373727025 /nfs/dbraw/zinc/72/70/25/373727025.db2.gz SWMUJZVOMIMVII-GFCCVEGCSA-N 1 0 281.331 3.020 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449480554 373768803 /nfs/dbraw/zinc/76/88/03/373768803.db2.gz YSYCKRKVLRNKMO-CJNGLKHVSA-N 1 0 294.395 3.321 20 5 CGBDRO C[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301826157 373806799 /nfs/dbraw/zinc/80/67/99/373806799.db2.gz FAMGAPPXJRHFPW-NVXWUHKLSA-N 1 0 297.358 3.452 20 5 CGBDRO Cn1cccc1C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494689 373789915 /nfs/dbraw/zinc/78/99/15/373789915.db2.gz BFTMCDXAHBTPAS-OAHLLOKOSA-N 1 0 299.374 3.313 20 5 CGBDRO CC(C)[NH+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000180448515 374008854 /nfs/dbraw/zinc/00/88/54/374008854.db2.gz NNRUJADHIWDDQJ-UHFFFAOYSA-N 1 0 254.305 3.353 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000305842846 374119770 /nfs/dbraw/zinc/11/97/70/374119770.db2.gz RQDLPMYGDDOAJR-MJBXVCDLSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)on1 ZINC000181474996 374128037 /nfs/dbraw/zinc/12/80/37/374128037.db2.gz HVWNYANEXRUBIV-UHFFFAOYSA-N 1 0 298.302 3.360 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076436 374226126 /nfs/dbraw/zinc/22/61/26/374226126.db2.gz DZBNUHSBNXDWSB-UONOGXRCSA-N 1 0 292.379 3.404 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000312812873 374292817 /nfs/dbraw/zinc/29/28/17/374292817.db2.gz IIHCUDKWJLGJLT-KYOSRNDESA-N 1 0 278.352 3.061 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182743311 374321023 /nfs/dbraw/zinc/32/10/23/374321023.db2.gz UXQDMTNVHZNKPE-OCCSQVGLSA-N 1 0 278.352 3.075 20 5 CGBDRO CC[C@@H]([NH2+]C1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000314246185 374315453 /nfs/dbraw/zinc/31/54/53/374315453.db2.gz VJGRRHHGQXVRHE-LDZOIKDWSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC1CCOCC1 ZINC000183361942 374406508 /nfs/dbraw/zinc/40/65/08/374406508.db2.gz OWHVHPBMRGKKQA-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000453328392 374423981 /nfs/dbraw/zinc/42/39/81/374423981.db2.gz TUVPQAJSGHXVQR-CMPLNLGQSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000330663135 374488079 /nfs/dbraw/zinc/48/80/79/374488079.db2.gz UWZUMPNQRQXJTB-CHWSQXEVSA-N 1 0 278.352 3.123 20 5 CGBDRO CCOc1cc(C[NH+]2[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000331187514 374512299 /nfs/dbraw/zinc/51/22/99/374512299.db2.gz UDPXBDJEBZWVPR-VXGBXAGGSA-N 1 0 278.352 3.366 20 5 CGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000331052679 374499583 /nfs/dbraw/zinc/49/95/83/374499583.db2.gz JHQSVARXRQEGPU-NWDGAFQWSA-N 1 0 294.399 3.023 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467500 374535409 /nfs/dbraw/zinc/53/54/09/374535409.db2.gz KBKILMDFQBTVHA-WDEREUQCSA-N 1 0 288.351 3.234 20 5 CGBDRO CSCCCCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185161339 374599830 /nfs/dbraw/zinc/59/98/30/374599830.db2.gz ZCSOVKBDYFRHMX-UHFFFAOYSA-N 1 0 274.411 3.279 20 5 CGBDRO COc1ccc(C[NH2+]CCCCCSC)cc1[N+](=O)[O-] ZINC000185160891 374599873 /nfs/dbraw/zinc/59/98/73/374599873.db2.gz KGRHIJKUFLDKIA-UHFFFAOYSA-N 1 0 298.408 3.226 20 5 CGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000185239473 374618896 /nfs/dbraw/zinc/61/88/96/374618896.db2.gz AMQQIZQUVIEQFR-GJZGRUSLSA-N 1 0 292.379 3.277 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186315971 374831606 /nfs/dbraw/zinc/83/16/06/374831606.db2.gz CBSNXTAXIYAGNY-GDBMZVCRSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000186393350 374842557 /nfs/dbraw/zinc/84/25/57/374842557.db2.gz KGFDTQCDACDEIE-GFCCVEGCSA-N 1 0 282.343 3.413 20 5 CGBDRO COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000187440726 375022538 /nfs/dbraw/zinc/02/25/38/375022538.db2.gz RJHJFVMXWVTNBU-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]1C ZINC000487976525 375290373 /nfs/dbraw/zinc/29/03/73/375290373.db2.gz ULRNGSUXNUEIGS-WCQYABFASA-N 1 0 298.408 3.293 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189112262 375327331 /nfs/dbraw/zinc/32/73/31/375327331.db2.gz HOWNJBSICZEZKH-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO CCOC1CC(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000189258859 375350927 /nfs/dbraw/zinc/35/09/27/375350927.db2.gz YGQDDXAQSYKLCN-VEAWUBTESA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSC[C@@H](C)C1 ZINC000190849185 375543479 /nfs/dbraw/zinc/54/34/79/375543479.db2.gz KBWRRWIKTAWYGD-NSHDSACASA-N 1 0 280.393 3.088 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC=C(C)C ZINC000191632364 375645925 /nfs/dbraw/zinc/64/59/25/375645925.db2.gz QQTHDPIAICYMDZ-UHFFFAOYSA-N 1 0 264.325 3.049 20 5 CGBDRO CCc1cccnc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000507522427 375712143 /nfs/dbraw/zinc/71/21/43/375712143.db2.gz GNPXXCHORRPXHK-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000192934009 375805458 /nfs/dbraw/zinc/80/54/58/375805458.db2.gz HEQZMCMCYAAORO-RISCZKNCSA-N 1 0 288.351 3.130 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810830 375963733 /nfs/dbraw/zinc/96/37/33/375963733.db2.gz JPTVQCSEHZTFCF-ZYHUDNBSSA-N 1 0 266.316 3.497 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336790582 375939357 /nfs/dbraw/zinc/93/93/57/375939357.db2.gz LTEVQJYQLJVILO-LBPRGKRZSA-N 1 0 252.289 3.012 20 5 CGBDRO CC(C)n1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000226241488 376343916 /nfs/dbraw/zinc/34/39/16/376343916.db2.gz XJVHBKXJHKBXQO-LBPRGKRZSA-N 1 0 288.351 3.223 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000224511405 376284081 /nfs/dbraw/zinc/28/40/81/376284081.db2.gz FBCIZHBGZUKRPO-ZLKJLUDKSA-N 1 0 278.352 3.059 20 5 CGBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000540591809 376384200 /nfs/dbraw/zinc/38/42/00/376384200.db2.gz FYFUNEVXQXJBAO-AWEZNQCLSA-N 1 0 280.368 3.388 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000230418900 376518898 /nfs/dbraw/zinc/51/88/98/376518898.db2.gz HIJHSZGVZYKTEC-VXGBXAGGSA-N 1 0 278.352 3.129 20 5 CGBDRO CC[C@@H](NCC[N@@H+](C)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000247051621 377147555 /nfs/dbraw/zinc/14/75/55/377147555.db2.gz OXDJPPPYSQBTPX-XJKSGUPXSA-N 1 0 293.411 3.366 20 5 CGBDRO Cc1cc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000560581060 377174824 /nfs/dbraw/zinc/17/48/24/377174824.db2.gz FBJJOBAPRDKUEV-LBPRGKRZSA-N 1 0 289.335 3.093 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000247954096 377247780 /nfs/dbraw/zinc/24/77/80/377247780.db2.gz FICREUBOHINWNG-KCXAZCMYSA-N 1 0 294.395 3.433 20 5 CGBDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000248536115 377338847 /nfs/dbraw/zinc/33/88/47/377338847.db2.gz ZWWVKQMWDQDUAN-UKRRQHHQSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCSC1 ZINC000515340780 249209094 /nfs/dbraw/zinc/20/90/94/249209094.db2.gz DSNZYOJSQCQTRW-NWDGAFQWSA-N 1 0 280.393 3.307 20 5 CGBDRO CCOC1CC([N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000515712228 249218926 /nfs/dbraw/zinc/21/89/26/249218926.db2.gz QQORNQUDFALODD-VURMDHGXSA-N 1 0 290.363 3.107 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000177252907 542190972 /nfs/dbraw/zinc/19/09/72/542190972.db2.gz BAINBHGTHWJPKH-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000517891669 249273029 /nfs/dbraw/zinc/27/30/29/249273029.db2.gz GSJCQGSMUPTOFL-HZPDHXFCSA-N 1 0 290.363 3.142 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000252206598 377617329 /nfs/dbraw/zinc/61/73/29/377617329.db2.gz XGRGCFRDDTXDLZ-FOGDFJRCSA-N 1 0 266.366 3.139 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000574414352 377661323 /nfs/dbraw/zinc/66/13/23/377661323.db2.gz LQXPLBAPKUPLNB-RRFJBIMHSA-N 1 0 272.348 3.360 20 5 CGBDRO CC1(C)CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575763355 377988605 /nfs/dbraw/zinc/98/86/05/377988605.db2.gz RRTZCDFVMKUKOB-CYBMUJFWSA-N 1 0 260.337 3.360 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000575900991 377999439 /nfs/dbraw/zinc/99/94/39/377999439.db2.gz WWYDESCRMAHHGB-MBMDQQRISA-N 1 0 282.290 3.241 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000343907230 378131531 /nfs/dbraw/zinc/13/15/31/378131531.db2.gz GUROLNBZXKXURX-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000268932106 378155979 /nfs/dbraw/zinc/15/59/79/378155979.db2.gz MYWKHEPYKLCATO-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000268987013 378165910 /nfs/dbraw/zinc/16/59/10/378165910.db2.gz UGZGRXWLXGQOSH-AWEZNQCLSA-N 1 0 290.363 3.095 20 5 CGBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@H]1C1CC1 ZINC000579655800 378179734 /nfs/dbraw/zinc/17/97/34/378179734.db2.gz IFNWRFJUYTYBNW-AWEZNQCLSA-N 1 0 260.337 3.215 20 5 CGBDRO CC[C@H]([NH2+]CCC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000346528048 217931946 /nfs/dbraw/zinc/93/19/46/217931946.db2.gz JBCFNDJMUOEBIP-AWEZNQCLSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000274620474 378863339 /nfs/dbraw/zinc/86/33/39/378863339.db2.gz ROWDHTMMIGRJMZ-LLVKDONJSA-N 1 0 293.367 3.008 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348314319 378901887 /nfs/dbraw/zinc/90/18/87/378901887.db2.gz AXEYMADIQSOKCL-WCQGTBRESA-N 1 0 252.289 3.136 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348314317 378902221 /nfs/dbraw/zinc/90/22/21/378902221.db2.gz AXEYMADIQSOKCL-DLOVCJGASA-N 1 0 252.289 3.136 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2occc21 ZINC000278629277 194074910 /nfs/dbraw/zinc/07/49/10/194074910.db2.gz GUURJCFADZUPAN-AWEZNQCLSA-N 1 0 286.331 3.398 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278821620 194169548 /nfs/dbraw/zinc/16/95/48/194169548.db2.gz ZMLQHUTXZNCZAG-JTQLQIEISA-N 1 0 288.351 3.139 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC1CC[NH+](C)CC1 ZINC000277689343 379218396 /nfs/dbraw/zinc/21/83/96/379218396.db2.gz BWEONBRETOMAFE-UHFFFAOYSA-N 1 0 283.759 3.063 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)CC2)ccc1[N+](=O)[O-] ZINC000352407918 379800432 /nfs/dbraw/zinc/80/04/32/379800432.db2.gz WJANHSOXISYAGN-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000352650377 379893022 /nfs/dbraw/zinc/89/30/22/379893022.db2.gz WGZWUPCIZYHFNC-GQCTYLIASA-N 1 0 272.304 3.333 20 5 CGBDRO CC[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000353154909 380143196 /nfs/dbraw/zinc/14/31/96/380143196.db2.gz PZPMBTXNZPOISI-PINLSGDHSA-N 1 0 278.352 3.013 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000414506280 380281621 /nfs/dbraw/zinc/28/16/21/380281621.db2.gz WJVKNRHBHNDZAX-LRDDRELGSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc(CN2CC[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC000414845141 380449775 /nfs/dbraw/zinc/44/97/75/380449775.db2.gz LSFRODQTJQVMPV-UHFFFAOYSA-N 1 0 297.358 3.013 20 5 CGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000419372321 380819693 /nfs/dbraw/zinc/81/96/93/380819693.db2.gz MDEXZBBEFSAEQE-OUAUKWLOSA-N 1 0 266.316 3.210 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000357028350 380999655 /nfs/dbraw/zinc/99/96/55/380999655.db2.gz UQNGRZCGGGOYIW-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359994208 381402028 /nfs/dbraw/zinc/40/20/28/381402028.db2.gz URTBEMHJZAASBZ-SNVBAGLBSA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000361346875 381709274 /nfs/dbraw/zinc/70/92/74/381709274.db2.gz REYVVXVZIKDNHH-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399990 381732243 /nfs/dbraw/zinc/73/22/43/381732243.db2.gz KUVLAQCISRSXML-CVEARBPZSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000361480936 381764016 /nfs/dbraw/zinc/76/40/16/381764016.db2.gz HXFTZRMNNFONSU-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@H+](CC2CC2)C2CCC2)c1 ZINC000361580381 381815179 /nfs/dbraw/zinc/81/51/79/381815179.db2.gz XVYOKJAXRRLXSF-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000122221491 285111247 /nfs/dbraw/zinc/11/12/47/285111247.db2.gz OCMSPMNBDMXCKB-OAHLLOKOSA-N 1 0 286.331 3.398 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC3(CCCO3)CC2)cc1 ZINC000365004168 285114440 /nfs/dbraw/zinc/11/44/40/285114440.db2.gz WSJDKJDMGABQKO-UHFFFAOYSA-N 1 0 290.363 3.176 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000037487198 285114934 /nfs/dbraw/zinc/11/49/34/285114934.db2.gz SVKWXEQLIASVPV-MRXNPFEDSA-N 1 0 282.343 3.242 20 5 CGBDRO COc1ccc(C[N@@H+]2CC(C)(C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000412050315 533552932 /nfs/dbraw/zinc/55/29/32/533552932.db2.gz XZQTUEMCQUCULZ-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000449169379 533645228 /nfs/dbraw/zinc/64/52/28/533645228.db2.gz GSNUCKKAPMMIFB-XJKCOSOUSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1ccc(C[NH2+]Cc2sccc2C)cc1[N+](=O)[O-] ZINC000110058273 392377458 /nfs/dbraw/zinc/37/74/58/392377458.db2.gz CQWKWOSNGKRNGU-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CS[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428355 392557965 /nfs/dbraw/zinc/55/79/65/392557965.db2.gz VGGKQZHQASHVGQ-QWRGUYRKSA-N 1 0 266.366 3.093 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)c1 ZINC000510661039 392808150 /nfs/dbraw/zinc/80/81/50/392808150.db2.gz FOPSATUWDIAQOY-CVEARBPZSA-N 1 0 274.364 3.306 20 5 CGBDRO CCCCC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511092130 392827122 /nfs/dbraw/zinc/82/71/22/392827122.db2.gz RUSIXHCEHCTOPT-UHFFFAOYSA-N 1 0 250.342 3.259 20 5 CGBDRO CCC(CC)[NH2+][C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000193245985 392873248 /nfs/dbraw/zinc/87/32/48/392873248.db2.gz YUVIPQYCYKBCMU-LLVKDONJSA-N 1 0 293.367 3.008 20 5 CGBDRO C[C@H]1CCC[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786620 393108916 /nfs/dbraw/zinc/10/89/16/393108916.db2.gz OPUZUTUSQOANNX-STQMWFEESA-N 1 0 289.379 3.174 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000546123930 393034317 /nfs/dbraw/zinc/03/43/17/393034317.db2.gz DXUUEQOEPNYFCZ-GFCCVEGCSA-N 1 0 292.379 3.471 20 5 CGBDRO CCC(O)(CC)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468645485 393156745 /nfs/dbraw/zinc/15/67/45/393156745.db2.gz OWDZQWVAEWMDSZ-LCYFTJDESA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000355282560 393289298 /nfs/dbraw/zinc/28/92/98/393289298.db2.gz YYPKSCFFEUXJHX-OCCSQVGLSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CC[C@@H](C)C1 ZINC000475550124 393407810 /nfs/dbraw/zinc/40/78/10/393407810.db2.gz UZKYLHORCNYZFL-YPMHNXCESA-N 1 0 262.353 3.429 20 5 CGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472264977 393335397 /nfs/dbraw/zinc/33/53/97/393335397.db2.gz QNWWSPNGLYBMRU-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000475725332 393413420 /nfs/dbraw/zinc/41/34/20/393413420.db2.gz YCWLQOLBIRWQCJ-FRRDWIJNSA-N 1 0 292.379 3.470 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554219 393478037 /nfs/dbraw/zinc/47/80/37/393478037.db2.gz ARYBLNAMHDOWQE-OCCSQVGLSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1C[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356808 393496341 /nfs/dbraw/zinc/49/63/41/393496341.db2.gz OAALVAWDCQVURM-DGCLKSJQSA-N 1 0 260.337 3.215 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442332 393514410 /nfs/dbraw/zinc/51/44/10/393514410.db2.gz ULSLTPIGLOZSHD-HIFRSBDPSA-N 1 0 294.420 3.257 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210690 393539589 /nfs/dbraw/zinc/53/95/89/393539589.db2.gz VDAHKJDVPNNGOL-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)CC1(C)C ZINC000430243554 393547735 /nfs/dbraw/zinc/54/77/35/393547735.db2.gz UWMPZTKNILNJKX-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420948818 393553829 /nfs/dbraw/zinc/55/38/29/393553829.db2.gz FAARRJVDLZBHJV-IYBDPMFKSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421044223 393586552 /nfs/dbraw/zinc/58/65/52/393586552.db2.gz SBROKNZNCAVUII-KBPBESRZSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@@H]1CC2CCC1CC2 ZINC000433008856 393669549 /nfs/dbraw/zinc/66/95/49/393669549.db2.gz ZZQCUMJNBXCSPX-JXQTWKCFSA-N 1 0 290.363 3.142 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449306841 393877643 /nfs/dbraw/zinc/87/76/43/393877643.db2.gz MUGSMBZXDDMION-NOLJZWGESA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CSC2(C)C)cccc1[N+](=O)[O-] ZINC000549237456 289038818 /nfs/dbraw/zinc/03/88/18/289038818.db2.gz PSOFNOOYUFOGBR-GWCFXTLKSA-N 1 0 280.393 3.448 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453232897 285822310 /nfs/dbraw/zinc/82/23/10/285822310.db2.gz VIJDPWSDFMBRSJ-NILFDRSVSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000075768906 287028161 /nfs/dbraw/zinc/02/81/61/287028161.db2.gz DCGIKIVUBZWLFA-FZMZJTMJSA-N 1 0 278.327 3.498 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000075683424 287027220 /nfs/dbraw/zinc/02/72/20/287027220.db2.gz REMJORJYBLAROR-LLVKDONJSA-N 1 0 290.363 3.366 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000091796379 165273468 /nfs/dbraw/zinc/27/34/68/165273468.db2.gz GURRUMVCONXUOL-NSHDSACASA-N 1 0 296.367 3.090 20 5 CGBDRO Cc1ccc(C[N@H+]2CC[C@@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000091964266 165278139 /nfs/dbraw/zinc/27/81/39/165278139.db2.gz AAAUDNKWKGTGAT-OAHLLOKOSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCCOCC2CC2)cc1[N+](=O)[O-] ZINC000020191279 171057277 /nfs/dbraw/zinc/05/72/77/171057277.db2.gz UYFCUOJACNRMIJ-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000037255320 173066274 /nfs/dbraw/zinc/06/62/74/173066274.db2.gz YYIMYNMQRVBQPL-WCQYABFASA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037487163 173230036 /nfs/dbraw/zinc/23/00/36/173230036.db2.gz OSMCFFQCWHDSKJ-UHFFFAOYSA-N 1 0 256.305 3.193 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044274 174052304 /nfs/dbraw/zinc/05/23/04/174052304.db2.gz STCUGUPCMCIGCL-DOMZBBRYSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H](NCC[N@H+](C)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000071376798 176141857 /nfs/dbraw/zinc/14/18/57/176141857.db2.gz JWFVADJJJQYDCV-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)ccn1 ZINC000391186609 262387482 /nfs/dbraw/zinc/38/74/82/262387482.db2.gz SVHHSXRBRLFVLF-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000224069300 270086756 /nfs/dbraw/zinc/08/67/56/270086756.db2.gz JIUXDMDVGQYETL-WQVCFCJDSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@@H]1C ZINC000322056501 270093469 /nfs/dbraw/zinc/09/34/69/270093469.db2.gz QHLSZPBWBAUERR-GLQYFDAESA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000525120858 270117392 /nfs/dbraw/zinc/11/73/92/270117392.db2.gz ARIYQEPNDLWBJD-QWHCGFSZSA-N 1 0 262.353 3.258 20 5 CGBDRO CC1(C)CC(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000527363258 270127574 /nfs/dbraw/zinc/12/75/74/270127574.db2.gz PQBYLQMFVNEBAW-UHFFFAOYSA-N 1 0 254.355 3.182 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCSCC1 ZINC000530340519 270199381 /nfs/dbraw/zinc/19/93/81/270199381.db2.gz JXTVRCJOXKLYQR-RAXLEYEMSA-N 1 0 292.404 3.437 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCO1)CCCC2 ZINC000417299392 275038306 /nfs/dbraw/zinc/03/83/06/275038306.db2.gz MSUWBWIGEFDWRM-GDBMZVCRSA-N 1 0 290.363 3.131 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000452038462 276336821 /nfs/dbraw/zinc/33/68/21/276336821.db2.gz XZRRALYGNCDOOT-HZPDHXFCSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000449204648 276587725 /nfs/dbraw/zinc/58/77/25/276587725.db2.gz JWMVTFZZCXQHOH-NOLJZWGESA-N 1 0 292.379 3.073 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@H]2OCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000250139122 276640091 /nfs/dbraw/zinc/64/00/91/276640091.db2.gz YQCTVBXCKFWVOC-CAOSSQGBSA-N 1 0 290.363 3.203 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000477843498 276871544 /nfs/dbraw/zinc/87/15/44/276871544.db2.gz RXRSBGSLJILISS-JQWIXIFHSA-N 1 0 283.759 3.143 20 5 CGBDRO CC(C)(C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543914 277142475 /nfs/dbraw/zinc/14/24/75/277142475.db2.gz TZNRBGFQQOKHQG-QWHCGFSZSA-N 1 0 294.399 3.301 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650436 277285456 /nfs/dbraw/zinc/28/54/56/277285456.db2.gz XSVHDLGAUJFFOJ-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000360931831 278217113 /nfs/dbraw/zinc/21/71/13/278217113.db2.gz AKDYKWFEVCDWPF-JMSVASOKSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287025368 278351069 /nfs/dbraw/zinc/35/10/69/278351069.db2.gz LKXSBJUYZRWILG-NEPJUHHUSA-N 1 0 280.393 3.389 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000348413076 279517913 /nfs/dbraw/zinc/51/79/13/279517913.db2.gz PEQSXJJFBQFHKL-MVWJERBFSA-N 1 0 252.289 3.136 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000453249476 280952565 /nfs/dbraw/zinc/95/25/65/280952565.db2.gz UIUVQRAYMSNEHC-LNSITVRQSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000549549000 289046334 /nfs/dbraw/zinc/04/63/34/289046334.db2.gz KFNRXQVZYZLVEJ-UHFFFAOYSA-N 1 0 262.353 3.402 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000268543133 290010317 /nfs/dbraw/zinc/01/03/17/290010317.db2.gz ZUETXIIBWOUHOC-DCDXPUDHSA-N 1 0 290.363 3.203 20 5 CGBDRO COC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000165914500 321906179 /nfs/dbraw/zinc/90/61/79/321906179.db2.gz MBRLVIDNOXTZST-DOMZBBRYSA-N 1 0 280.368 3.225 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565218489 322067251 /nfs/dbraw/zinc/06/72/51/322067251.db2.gz RIKGKPSYXPDXBS-ZWNOBZJWSA-N 1 0 280.393 3.313 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@H](F)C2)cs1 ZINC000567384405 322161318 /nfs/dbraw/zinc/16/13/18/322161318.db2.gz FWVVOGPAVWDNMP-UWVGGRQHSA-N 1 0 258.318 3.027 20 5 CGBDRO CC(C)[C@@H]1CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000568121687 322194240 /nfs/dbraw/zinc/19/42/40/322194240.db2.gz IUUNXKKNPGUTJK-DYLGSBMWSA-N 1 0 260.337 3.338 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568662869 322218167 /nfs/dbraw/zinc/21/81/67/322218167.db2.gz MFFBMUBQGOGYLY-WBMJQRKESA-N 1 0 297.358 3.198 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000569120567 322235593 /nfs/dbraw/zinc/23/55/93/322235593.db2.gz ZRVKEINPAPAQQL-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000572466594 322339173 /nfs/dbraw/zinc/33/91/73/322339173.db2.gz BDSDVLWIRCGWKU-NSHDSACASA-N 1 0 288.351 3.093 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H]1F ZINC000573741494 322404661 /nfs/dbraw/zinc/40/46/61/322404661.db2.gz JCKHJSZDGXWNOR-AGIUHOORSA-N 1 0 264.300 3.062 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131552599 533707342 /nfs/dbraw/zinc/70/73/42/533707342.db2.gz BYFRBXXRIAAJSW-MNOVXSKESA-N 1 0 268.382 3.305 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCSc2ncccc2[N+](=O)[O-])C1 ZINC000584243064 327126132 /nfs/dbraw/zinc/12/61/32/327126132.db2.gz NUROPZTZXWQQLE-TXEJJXNPSA-N 1 0 295.408 3.060 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000576554333 335218425 /nfs/dbraw/zinc/21/84/25/335218425.db2.gz DIMGZGUMTKLOGW-CQSZACIVSA-N 1 0 293.411 3.113 20 5 CGBDRO CCC(O)(CC)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468645486 500651022 /nfs/dbraw/zinc/65/10/22/500651022.db2.gz OWDZQWVAEWMDSZ-UKTHLTGXSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC(C)(C)C1 ZINC000449217520 534253967 /nfs/dbraw/zinc/25/39/67/534253967.db2.gz ZRUWLSGEYPXGIZ-JSGCOSHPSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC1(C)C ZINC000449322356 534254059 /nfs/dbraw/zinc/25/40/59/534254059.db2.gz XDQRXIQZBDGBMD-FZMZJTMJSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000437534865 534285107 /nfs/dbraw/zinc/28/51/07/534285107.db2.gz JMVGBULDEABMBM-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746675271 572890238 /nfs/dbraw/zinc/89/02/38/572890238.db2.gz RTKCLJLAWLMCKJ-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994724 521173514 /nfs/dbraw/zinc/17/35/14/521173514.db2.gz PNTKOSFABCHBKY-XHSDSOJGSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000087014738 521656990 /nfs/dbraw/zinc/65/69/90/521656990.db2.gz VGHOQTZUPFJUCB-LBPRGKRZSA-N 1 0 280.368 3.105 20 5 CGBDRO COC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000086695539 522373695 /nfs/dbraw/zinc/37/36/95/522373695.db2.gz FKOMNJKEJPDMHT-GXTWGEPZSA-N 1 0 280.368 3.225 20 5 CGBDRO Cc1ncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449130169 534742336 /nfs/dbraw/zinc/74/23/36/534742336.db2.gz FVIFNILDTRIPDT-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]1(C)CCCO ZINC000290484683 525562923 /nfs/dbraw/zinc/56/29/23/525562923.db2.gz OFODYAPIFRDJAQ-MRXNPFEDSA-N 1 0 292.379 3.030 20 5 CGBDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000746678352 572891786 /nfs/dbraw/zinc/89/17/86/572891786.db2.gz QBSRBVGVOHVEBG-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)([NH2+]CCCc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000429236673 527292181 /nfs/dbraw/zinc/29/21/81/527292181.db2.gz NCJPFLCFGHKWPX-UHFFFAOYSA-N 1 0 299.374 3.447 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCC(F)(F)F)c1 ZINC000097988850 527385722 /nfs/dbraw/zinc/38/57/22/527385722.db2.gz ULPDHSDVTOQNEO-UHFFFAOYSA-N 1 0 262.231 3.027 20 5 CGBDRO CC(C)c1ccc(CN[C@@H]2CCCC[C@H]2[NH3+])cc1[N+](=O)[O-] ZINC000424374209 528100370 /nfs/dbraw/zinc/10/03/70/528100370.db2.gz HUALAWOVHOBRBS-HUUCEWRRSA-N 1 0 291.395 3.078 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411386078 528538260 /nfs/dbraw/zinc/53/82/60/528538260.db2.gz XZHVNSVCEMFACB-UHFFFAOYSA-N 1 0 293.367 3.044 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)CC ZINC000177669765 528611868 /nfs/dbraw/zinc/61/18/68/528611868.db2.gz WAXZCSWFUBIWFO-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO CCCCOCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192775853 528612119 /nfs/dbraw/zinc/61/21/19/528612119.db2.gz UBEOFIXVGONEBV-MRXNPFEDSA-N 1 0 292.379 3.379 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449557258 528795233 /nfs/dbraw/zinc/79/52/33/528795233.db2.gz VKVXPDNENYBGCQ-SNPRPXQTSA-N 1 0 276.380 3.408 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178434282 529174888 /nfs/dbraw/zinc/17/48/88/529174888.db2.gz AZAUGNMLCOVMBP-LSDHHAIUSA-N 1 0 294.395 3.433 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459641260 534926495 /nfs/dbraw/zinc/92/64/95/534926495.db2.gz YLMRRBJXEDIOPT-LAMLHYTJSA-N 1 0 290.363 3.154 20 5 CGBDRO CCC[C@@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000512885747 535571794 /nfs/dbraw/zinc/57/17/94/535571794.db2.gz TXGYZOUUAGMDSB-BIENSFFJSA-N 1 0 290.363 3.157 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746753932 572895138 /nfs/dbraw/zinc/89/51/38/572895138.db2.gz IVLHKEBPDGDVQS-YPMHNXCESA-N 1 0 298.770 3.295 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000233989729 617670619 /nfs/dbraw/zinc/67/06/19/617670619.db2.gz DGGZRMDCPWWLFC-GXTWGEPZSA-N 1 0 298.383 3.498 20 5 CGBDRO CCC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000051281344 618243579 /nfs/dbraw/zinc/24/35/79/618243579.db2.gz DDUTUHVOLVEXPB-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000052085742 618688411 /nfs/dbraw/zinc/68/84/11/618688411.db2.gz SFJHJQDQYOVTEH-LBPRGKRZSA-N 1 0 288.351 3.024 20 5 CGBDRO CS[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000235163676 618711833 /nfs/dbraw/zinc/71/18/33/618711833.db2.gz OXRMAMLZVLLGFZ-ZIAGYGMSSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@H]([N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000177248249 618810811 /nfs/dbraw/zinc/81/08/11/618810811.db2.gz RYBQHGIJPXTZTA-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO COCC[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000840955869 619263632 /nfs/dbraw/zinc/26/36/32/619263632.db2.gz YXWLHUSWBWMGMO-SNVBAGLBSA-N 1 0 286.759 3.010 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H](CF)C1 ZINC000895569099 619853935 /nfs/dbraw/zinc/85/39/35/619853935.db2.gz SOLHWYXOFRFLLV-GFCCVEGCSA-N 1 0 266.316 3.003 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@]34C[C@H]3CCC4)nc2c1 ZINC000897242042 620169012 /nfs/dbraw/zinc/16/90/12/620169012.db2.gz BLTGDRCVHJZWRD-BMIGLBTASA-N 1 0 287.319 3.016 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccnnc1)c1cccc([N+](=O)[O-])c1 ZINC000925231083 620252880 /nfs/dbraw/zinc/25/28/80/620252880.db2.gz RNRYSTTWMOADFE-NHYWBVRUSA-N 1 0 286.335 3.187 20 5 CGBDRO COCC1(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897458797 620339612 /nfs/dbraw/zinc/33/96/12/620339612.db2.gz FMTQACOCIHQQPM-ZDUSSCGKSA-N 1 0 292.379 3.105 20 5 CGBDRO CSC1(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463431 620340085 /nfs/dbraw/zinc/34/00/85/620340085.db2.gz FVDWLWYDLBNQGF-LLVKDONJSA-N 1 0 280.393 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@H]2CCCO)cc1 ZINC000925312551 620397737 /nfs/dbraw/zinc/39/77/37/620397737.db2.gz HWRFDNABOJRCLF-GOEBONIOSA-N 1 0 292.379 3.016 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CCSC)cc([N+](=O)[O-])c1 ZINC000903098455 621571749 /nfs/dbraw/zinc/57/17/49/621571749.db2.gz PDNZEKNISQTGPL-WDEREUQCSA-N 1 0 298.408 3.396 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC[C@@H](C)F)cc([N+](=O)[O-])c1 ZINC000903176924 621614158 /nfs/dbraw/zinc/61/41/58/621614158.db2.gz GNTFFVJOOMPJAM-NXEZZACHSA-N 1 0 270.304 3.002 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903223928 621634992 /nfs/dbraw/zinc/63/49/92/621634992.db2.gz MVVOLGHTTUWFRI-GHMZBOCLSA-N 1 0 296.367 3.068 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244892 621637101 /nfs/dbraw/zinc/63/71/01/621637101.db2.gz GAMNAPKVBFLHDG-RYUDHWBXSA-N 1 0 280.368 3.101 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244890 621637197 /nfs/dbraw/zinc/63/71/97/621637197.db2.gz GAMNAPKVBFLHDG-NEPJUHHUSA-N 1 0 280.368 3.101 20 5 CGBDRO COCCC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245440 621637202 /nfs/dbraw/zinc/63/72/02/621637202.db2.gz MBLJGDACLUNDQO-STQMWFEESA-N 1 0 280.368 3.103 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244893 621637321 /nfs/dbraw/zinc/63/73/21/621637321.db2.gz GAMNAPKVBFLHDG-VXGBXAGGSA-N 1 0 280.368 3.101 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903331822 621706197 /nfs/dbraw/zinc/70/61/97/621706197.db2.gz NZNINONSWCKYFI-NXEZZACHSA-N 1 0 284.331 3.198 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903332496 621706933 /nfs/dbraw/zinc/70/69/33/621706933.db2.gz SYHIZLAAWQSHSZ-NWDGAFQWSA-N 1 0 280.368 3.367 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903437862 621747491 /nfs/dbraw/zinc/74/74/91/621747491.db2.gz QNWRPBQUXQHDKL-HRCADAONSA-N 1 0 290.363 3.061 20 5 CGBDRO CCC[C@@H](C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905422575 622072068 /nfs/dbraw/zinc/07/20/68/622072068.db2.gz IVVBDHCTIDUUNO-DOMZBBRYSA-N 1 0 280.368 3.044 20 5 CGBDRO CCNC(=O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000060833170 623073757 /nfs/dbraw/zinc/07/37/57/623073757.db2.gz RXXMXZNUSFCLFG-UHFFFAOYSA-N 1 0 292.382 3.219 20 5 CGBDRO CSCCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000229244266 623113153 /nfs/dbraw/zinc/11/31/53/623113153.db2.gz FHSLDGQGIRSHEG-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000172433380 623249515 /nfs/dbraw/zinc/24/95/15/623249515.db2.gz BEUYFPPARWUEID-JTQLQIEISA-N 1 0 286.372 3.307 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000922584504 626017180 /nfs/dbraw/zinc/01/71/80/626017180.db2.gz ARCJGTJFINOBBA-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)c1 ZINC000922804384 626046870 /nfs/dbraw/zinc/04/68/70/626046870.db2.gz AJXHAPLXOYKBPA-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839144552 626316879 /nfs/dbraw/zinc/31/68/79/626316879.db2.gz UXXPONWIAPGWRK-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761292057 627030645 /nfs/dbraw/zinc/03/06/45/627030645.db2.gz XUTAHLINSKTAEY-LBPRGKRZSA-N 1 0 288.351 3.085 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849384 627274790 /nfs/dbraw/zinc/27/47/90/627274790.db2.gz PVQDBWZMLXHQEX-SHUKQUCYSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000766478088 627335651 /nfs/dbraw/zinc/33/56/51/627335651.db2.gz FCIUJJIPAGTSAT-YGONEPDPSA-N 1 0 292.379 3.247 20 5 CGBDRO CC(C)[N@H+](CCC(=O)C1CC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000767363029 627401820 /nfs/dbraw/zinc/40/18/20/627401820.db2.gz GEJYPFASEJWTGL-UHFFFAOYSA-N 1 0 290.363 3.174 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCOC1CCC1)CCC2 ZINC000774301111 627974128 /nfs/dbraw/zinc/97/41/28/627974128.db2.gz NVQXIJIQZOSNQD-INIZCTEOSA-N 1 0 290.363 3.131 20 5 CGBDRO CCC(CC)C[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279566 628188659 /nfs/dbraw/zinc/18/86/59/628188659.db2.gz YIMLDPWJCLOMPA-INIZCTEOSA-N 1 0 294.395 3.386 20 5 CGBDRO CC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584998 628221153 /nfs/dbraw/zinc/22/11/53/628221153.db2.gz QTAGETCXTRCRHB-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000776592516 628222093 /nfs/dbraw/zinc/22/20/93/628222093.db2.gz PDFVFLDWWUFJBL-DLBZAZTESA-N 1 0 298.342 3.075 20 5 CGBDRO COc1cc(C[NH+]2CCCCCCC2)ccc1[N+](=O)[O-] ZINC000778935277 628378973 /nfs/dbraw/zinc/37/89/73/628378973.db2.gz AFRUKNQRLFOSEN-UHFFFAOYSA-N 1 0 278.352 3.370 20 5 CGBDRO C[C@H]([NH2+]Cc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500347 629060130 /nfs/dbraw/zinc/06/01/30/629060130.db2.gz ATLCTNLKPOXVEF-VIFPVBQESA-N 1 0 277.349 3.089 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562751 629064968 /nfs/dbraw/zinc/06/49/68/629064968.db2.gz HZGJKRHARNLGRQ-HBNTYKKESA-N 1 0 265.357 3.262 20 5 CGBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000800526540 630291115 /nfs/dbraw/zinc/29/11/15/630291115.db2.gz MFMMHMMLSXNBGV-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)C2CCC2)cc1F ZINC000801555154 630343054 /nfs/dbraw/zinc/34/30/54/630343054.db2.gz FFRPERFFHCJQCB-UHFFFAOYSA-N 1 0 278.327 3.498 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCOCC1 ZINC000801551896 630343057 /nfs/dbraw/zinc/34/30/57/630343057.db2.gz XHBKRTXGTALOHL-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1nn(C[N@H+]2CCC[C@@H](CC(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000120707194 630452699 /nfs/dbraw/zinc/45/26/99/630452699.db2.gz DFQBABYXXSCONI-AWEZNQCLSA-N 1 0 294.399 3.124 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000865734283 630606550 /nfs/dbraw/zinc/60/65/50/630606550.db2.gz QXLOZYTVDQYLDW-SKTRJTJASA-N 1 0 278.377 3.092 20 5 CGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809707071 630788107 /nfs/dbraw/zinc/78/81/07/630788107.db2.gz QBPKUKWAPNISRU-ZYHUDNBSSA-N 1 0 298.770 3.010 20 5 CGBDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552871 631794469 /nfs/dbraw/zinc/79/44/69/631794469.db2.gz MKKKUBCGEHPCNK-UWVGGRQHSA-N 1 0 251.330 3.016 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567438 631796165 /nfs/dbraw/zinc/79/61/65/631796165.db2.gz YCHWHPJRAOQJEG-RYUDHWBXSA-N 1 0 275.352 3.184 20 5 CGBDRO CC(=O)c1ccc(OCCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC000818619461 632342889 /nfs/dbraw/zinc/34/28/89/632342889.db2.gz DJLUZKMNEKMDAL-UHFFFAOYSA-N 1 0 294.351 3.085 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000819092637 632377975 /nfs/dbraw/zinc/37/79/75/632377975.db2.gz BBBSNDZXJZOLQA-DMEJVMROSA-N 1 0 292.379 3.043 20 5 CGBDRO CCCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819157090 632391897 /nfs/dbraw/zinc/39/18/97/632391897.db2.gz MZGHNPBXGDOJGU-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344022 632434576 /nfs/dbraw/zinc/43/45/76/632434576.db2.gz UEFQYBMPINSVAI-BBRMVZONSA-N 1 0 292.379 3.353 20 5 CGBDRO CO[C@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391716 632762839 /nfs/dbraw/zinc/76/28/39/632762839.db2.gz PQGVPODLXPSETE-YPMHNXCESA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000866218695 633033985 /nfs/dbraw/zinc/03/39/85/633033985.db2.gz WGWNRIHBJFMNSH-VHSXEESVSA-N 1 0 266.316 3.053 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879959759 635889115 /nfs/dbraw/zinc/88/91/15/635889115.db2.gz RQXDYGASOFNCOX-OCCSQVGLSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(F)(F)F ZINC000866280097 633063384 /nfs/dbraw/zinc/06/33/84/633063384.db2.gz NDZMCEGHTPIBGB-MRVPVSSYSA-N 1 0 294.248 3.207 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CC1 ZINC000866304115 633073053 /nfs/dbraw/zinc/07/30/53/633073053.db2.gz TXXDMQBXTJJTLZ-SNVBAGLBSA-N 1 0 266.316 3.055 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363798 633102211 /nfs/dbraw/zinc/10/22/11/633102211.db2.gz OPQRXFBXXGTJTF-NXEZZACHSA-N 1 0 272.295 3.003 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866581946 633201895 /nfs/dbraw/zinc/20/18/95/633201895.db2.gz FSGRGWJPEOGDEH-MRVWCRGKSA-N 1 0 292.404 3.341 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148123 635925317 /nfs/dbraw/zinc/92/53/17/635925317.db2.gz RMHUNIJDIOYULG-STQMWFEESA-N 1 0 292.379 3.057 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000824814441 633294926 /nfs/dbraw/zinc/29/49/26/633294926.db2.gz ADVUPALROZQULO-IINYFYTJSA-N 1 0 298.770 3.105 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000825099101 633328371 /nfs/dbraw/zinc/32/83/71/633328371.db2.gz URCKBRDRDIEDKO-OTYXRUKQSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CF)C1 ZINC000880299784 635970066 /nfs/dbraw/zinc/97/00/66/635970066.db2.gz XSYPUCAFHBIJDC-RYUDHWBXSA-N 1 0 266.316 3.256 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026178 633945939 /nfs/dbraw/zinc/94/59/39/633945939.db2.gz YQBVBLYLNIKWOK-NSHDSACASA-N 1 0 284.331 3.201 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872026390 633946267 /nfs/dbraw/zinc/94/62/67/633946267.db2.gz ADMLAPVPXRIMLO-INWMFGNUSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]CCc1cscn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043518 633967159 /nfs/dbraw/zinc/96/71/59/633967159.db2.gz IOSORPDQCINVSY-VIFPVBQESA-N 1 0 295.339 3.084 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045666 633969406 /nfs/dbraw/zinc/96/94/06/633969406.db2.gz QOWRQSNZOXQZKD-WDEREUQCSA-N 1 0 264.300 3.493 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872067653 633990026 /nfs/dbraw/zinc/99/00/26/633990026.db2.gz RFHSBJFSHNTRRG-UWVGGRQHSA-N 1 0 284.356 3.138 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000872079610 634003154 /nfs/dbraw/zinc/00/31/54/634003154.db2.gz JMAUKXOGDPCNRW-WBIUFABUSA-N 1 0 298.358 3.180 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CCN(c1cc[nH+]cc1C1CC1)C2 ZINC000872492871 634156522 /nfs/dbraw/zinc/15/65/22/634156522.db2.gz MTLZNRBJGJQIHV-UHFFFAOYSA-N 1 0 295.342 3.430 20 5 CGBDRO COC1CCC(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873072476 634242027 /nfs/dbraw/zinc/24/20/27/634242027.db2.gz VROYCEMDRHATDN-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834893903 634270799 /nfs/dbraw/zinc/27/07/99/634270799.db2.gz QQFZWAWVVJDOGH-DRZSPHRISA-N 1 0 277.368 3.120 20 5 CGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000873217283 634287670 /nfs/dbraw/zinc/28/76/70/634287670.db2.gz LYOCGDQCUFMTRG-JKSUJKDBSA-N 1 0 283.331 3.022 20 5 CGBDRO CC(C)CCC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876895275 634923319 /nfs/dbraw/zinc/92/33/19/634923319.db2.gz YEGZBUXETFGKLQ-IYXRBSQSSA-N 1 0 294.399 3.299 20 5 CGBDRO CSC(C)(C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000877063498 634968714 /nfs/dbraw/zinc/96/87/14/634968714.db2.gz HZAHICYONIAQEN-UHFFFAOYSA-N 1 0 282.409 3.259 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000840966605 635095261 /nfs/dbraw/zinc/09/52/61/635095261.db2.gz RHQYPIDHLAMXEO-GXSJLCMTSA-N 1 0 270.279 3.037 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC1(F)F ZINC000840968117 635096280 /nfs/dbraw/zinc/09/62/80/635096280.db2.gz NSRSLXUJNOVZRX-GMSGAONNSA-N 1 0 290.697 3.382 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000877827894 635230442 /nfs/dbraw/zinc/23/04/42/635230442.db2.gz ZGVZIGMPGMGVLO-AXFHLTTASA-N 1 0 266.366 3.139 20 5 CGBDRO CCC[NH2+][C@@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238483 635624480 /nfs/dbraw/zinc/62/44/80/635624480.db2.gz RVPJBTPXTUJMMJ-JTQLQIEISA-N 1 0 290.323 3.014 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846055622 636139880 /nfs/dbraw/zinc/13/98/80/636139880.db2.gz HLNPFPHKDYBATB-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO CSCC[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527457 636590234 /nfs/dbraw/zinc/59/02/34/636590234.db2.gz BPGXJCPZRZCDSZ-GXFFZTMASA-N 1 0 280.393 3.313 20 5 CGBDRO C[C@H]([NH2+]CCc1ccns1)c1c(F)cccc1[N+](=O)[O-] ZINC000883246499 636615028 /nfs/dbraw/zinc/61/50/28/636615028.db2.gz KHTBNXCMNDPYOK-VIFPVBQESA-N 1 0 295.339 3.084 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1CCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000883353912 636696060 /nfs/dbraw/zinc/69/60/60/636696060.db2.gz GSVBJZSMJPMMIO-HZPDHXFCSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000850358173 637026338 /nfs/dbraw/zinc/02/63/38/637026338.db2.gz JABZQRCMHLCZLR-SNVBAGLBSA-N 1 0 284.262 3.004 20 5 CGBDRO C[C@H]([NH2+]C1CC(CF)(CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000850471494 637080483 /nfs/dbraw/zinc/08/04/83/637080483.db2.gz QUXWJQQFBOENRC-JTQLQIEISA-N 1 0 284.306 3.333 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCCSC2)c1 ZINC000135695133 637155483 /nfs/dbraw/zinc/15/54/83/637155483.db2.gz XOOXHWCRXDXSAB-SNVBAGLBSA-N 1 0 286.784 3.233 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885969373 637337241 /nfs/dbraw/zinc/33/72/41/637337241.db2.gz QBMGEHFBLXNHEX-GOEBONIOSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886019156 637367030 /nfs/dbraw/zinc/36/70/30/637367030.db2.gz MPMQDODEIOWKFJ-CYBMUJFWSA-N 1 0 263.341 3.144 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC12CCCCC2 ZINC000886090040 637404519 /nfs/dbraw/zinc/40/45/19/637404519.db2.gz OOVRZGLMJMUBEY-UHFFFAOYSA-N 1 0 275.352 3.289 20 5 CGBDRO Cc1ccc([C@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC000886125090 637426281 /nfs/dbraw/zinc/42/62/81/637426281.db2.gz JASNZKXCHALGCR-HNNXBMFYSA-N 1 0 297.358 3.288 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000886616081 637608425 /nfs/dbraw/zinc/60/84/25/637608425.db2.gz UVFQNKFJXZIYSC-XHDPSFHLSA-N 1 0 283.331 3.328 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852291756 637628930 /nfs/dbraw/zinc/62/89/30/637628930.db2.gz YSDHUPLGTVWOBV-SNVBAGLBSA-N 1 0 281.312 3.123 20 5 CGBDRO CC[N@@H+]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853301291 637804590 /nfs/dbraw/zinc/80/45/90/637804590.db2.gz XPQRGQPQBSNCJX-UHFFFAOYSA-N 1 0 299.321 3.064 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000927023213 638832949 /nfs/dbraw/zinc/83/29/49/638832949.db2.gz COHITJPYRVQUQC-QWHCGFSZSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858593669 638998985 /nfs/dbraw/zinc/99/89/85/638998985.db2.gz GXGWKCHDSNAEOO-AAEUAGOBSA-N 1 0 289.379 3.408 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932346190 639317058 /nfs/dbraw/zinc/31/70/58/639317058.db2.gz HEWCUZGDGRVOKK-CHWSQXEVSA-N 1 0 278.352 3.075 20 5 CGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3cccc([N+](=O)[O-])c3)nc2c1 ZINC001250950375 805807110 /nfs/dbraw/zinc/80/71/10/805807110.db2.gz COKGDQGUAXJIQG-UHFFFAOYSA-N 1 0 296.330 3.200 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159600359 806129124 /nfs/dbraw/zinc/12/91/24/806129124.db2.gz KLEFNQOSTZHRGO-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO COC1(C)CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550083 806448275 /nfs/dbraw/zinc/44/82/75/806448275.db2.gz CKXVKVVGYSZKQJ-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCC1 ZINC001254549046 806448384 /nfs/dbraw/zinc/44/83/84/806448384.db2.gz QTXXZJLPOMDCIU-NEPJUHHUSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC001254564084 806451256 /nfs/dbraw/zinc/45/12/56/806451256.db2.gz IITMLEMQQXWGFY-AWEZNQCLSA-N 1 0 299.374 3.361 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596416 806457046 /nfs/dbraw/zinc/45/70/46/806457046.db2.gz DNTMYNKDAFGFBY-BFQNTYOBSA-N 1 0 274.364 3.325 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCc3ccccc31)C2 ZINC001254571743 806452752 /nfs/dbraw/zinc/45/27/52/806452752.db2.gz BBQRKZQHZMHIEG-CRAIPNDOSA-N 1 0 294.354 3.339 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)C2 ZINC001254576346 806454301 /nfs/dbraw/zinc/45/43/01/806454301.db2.gz VQRAORKJEDOAPO-CHWSQXEVSA-N 1 0 296.317 3.230 20 5 CGBDRO Cc1cccc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576796 806454819 /nfs/dbraw/zinc/45/48/19/806454819.db2.gz ZLZMIHPLXQUQKH-WFASDCNBSA-N 1 0 297.358 3.116 20 5 CGBDRO Cc1cccc(C)c1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580034 806456067 /nfs/dbraw/zinc/45/60/67/806456067.db2.gz YXRIBRWJIZYHQR-INIZCTEOSA-N 1 0 296.370 3.469 20 5 CGBDRO C[N@H+](C[C@H]1CC1(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604754 806460259 /nfs/dbraw/zinc/46/02/59/806460259.db2.gz XLQWSEXFBGSRSQ-UKRRQHHQSA-N 1 0 274.364 3.040 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604630 806460646 /nfs/dbraw/zinc/46/06/46/806460646.db2.gz WYDNMAWHKIBCPR-XHBSWPGZSA-N 1 0 274.364 3.040 20 5 CGBDRO C[C@@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000091439863 798954277 /nfs/dbraw/zinc/95/42/77/798954277.db2.gz AMBNDRHPNVBJCP-NXEZZACHSA-N 1 0 268.744 3.336 20 5 CGBDRO CCCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@H](C)CC ZINC000123692836 798995105 /nfs/dbraw/zinc/99/51/05/798995105.db2.gz DJGZNQNDQQKKCK-LLVKDONJSA-N 1 0 282.388 3.266 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403632937 799569802 /nfs/dbraw/zinc/56/98/02/799569802.db2.gz LWWCJKNTUOFNPG-YHWZYXNKSA-N 1 0 278.377 3.111 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000688903484 799757474 /nfs/dbraw/zinc/75/74/74/799757474.db2.gz WWSOXXJVCOGEEU-MFKMUULPSA-N 1 0 298.770 3.295 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000692868432 799801456 /nfs/dbraw/zinc/80/14/56/799801456.db2.gz PJGHRPHQFOHATR-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+]CCC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000693777041 799815153 /nfs/dbraw/zinc/81/51/53/799815153.db2.gz NBYARQFWWAQRCO-SNVBAGLBSA-N 1 0 298.433 3.442 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1OC[C@@H]1CCCC[NH2+]C1 ZINC000697087095 799842515 /nfs/dbraw/zinc/84/25/15/799842515.db2.gz NGYRHGQWCFKFAK-SNVBAGLBSA-N 1 0 284.743 3.017 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000701049137 799883655 /nfs/dbraw/zinc/88/36/55/799883655.db2.gz DTDLTHQJYZYCHB-RZGXBDKHSA-N 1 0 298.770 3.150 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000705458149 799949315 /nfs/dbraw/zinc/94/93/15/799949315.db2.gz NTKXBJJTWMRMQK-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000714350969 800119670 /nfs/dbraw/zinc/11/96/70/800119670.db2.gz WEQBZGFLDZXZPH-AWEZNQCLSA-N 1 0 278.352 3.032 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000720229502 800254221 /nfs/dbraw/zinc/25/42/21/800254221.db2.gz RENIFWVVOPDUBJ-SECBINFHSA-N 1 0 286.759 3.151 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000720244714 800255172 /nfs/dbraw/zinc/25/51/72/800255172.db2.gz AIGMHMSYHUDLGP-WDEREUQCSA-N 1 0 266.341 3.059 20 5 CGBDRO O[C@@]1(CNc2ccc3cc4ccccc4cc3c2)CC[NH2+]C1 ZINC001245966394 804090272 /nfs/dbraw/zinc/09/02/72/804090272.db2.gz PIHKHESTNKXLEP-IBGZPJMESA-N 1 0 292.382 3.129 20 5 CGBDRO Cc1[nH+]cc(Nc2ccc([N+](=O)[O-])cc2Cl)n1C ZINC001248603525 804960462 /nfs/dbraw/zinc/96/04/62/804960462.db2.gz GNAFXEDVMUVCDT-UHFFFAOYSA-N 1 0 266.688 3.034 20 5 CGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc3ccc4cccnc4c3n2)C1 ZINC001154976535 805516229 /nfs/dbraw/zinc/51/62/29/805516229.db2.gz LJOKTFNOFZLNNM-HUUCEWRRSA-N 1 0 292.386 3.465 20 5 CGBDRO CC[C@@H](C)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168692081 807482049 /nfs/dbraw/zinc/48/20/49/807482049.db2.gz XEFHKYSYJADJFE-GHMZBOCLSA-N 1 0 277.368 3.435 20 5 CGBDRO Cc1ccc([C@H](C)Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)nc1 ZINC001168855456 807530223 /nfs/dbraw/zinc/53/02/23/807530223.db2.gz WCUUWEHWRCJDDF-NSHDSACASA-N 1 0 298.346 3.075 20 5 CGBDRO C[C@H](CCc1ccccc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956869 807542009 /nfs/dbraw/zinc/54/20/09/807542009.db2.gz GFWYMLKBCSZFCI-KBMXLJTQSA-N 1 0 276.380 3.043 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001168966520 807542557 /nfs/dbraw/zinc/54/25/57/807542557.db2.gz IYXNMQFPOPHJJR-BXKDBHETSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001168967386 807542704 /nfs/dbraw/zinc/54/27/04/807542704.db2.gz PLJLXZWFOPCFDY-ZFWWWQNUSA-N 1 0 296.798 3.308 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001168963937 807542896 /nfs/dbraw/zinc/54/28/96/807542896.db2.gz QQNWLYOMOASOEU-WCQYABFASA-N 1 0 284.306 3.159 20 5 CGBDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168968047 807544116 /nfs/dbraw/zinc/54/41/16/807544116.db2.gz VEBIFARZKFUYSC-GZBFAFLISA-N 1 0 262.353 3.091 20 5 CGBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168985360 807547401 /nfs/dbraw/zinc/54/74/01/807547401.db2.gz DPNHDDPQTDYMMI-DZKIICNBSA-N 1 0 291.395 3.204 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168988381 807547944 /nfs/dbraw/zinc/54/79/44/807547944.db2.gz RPHKBEQHDZDWIC-JVLSTEMRSA-N 1 0 298.333 3.451 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168998463 807549128 /nfs/dbraw/zinc/54/91/28/807549128.db2.gz NIVLHTPDBZYMMY-IPYPFGDCSA-N 1 0 292.379 3.181 20 5 CGBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169000340 807549478 /nfs/dbraw/zinc/54/94/78/807549478.db2.gz XMNIOUQZVSULFF-KKUMJFAQSA-N 1 0 276.380 3.399 20 5 CGBDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168996968 807549481 /nfs/dbraw/zinc/54/94/81/807549481.db2.gz WZTMEWNNXQXFJL-IVMMDQJWSA-N 1 0 276.380 3.345 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168994071 807549506 /nfs/dbraw/zinc/54/95/06/807549506.db2.gz OLKBODZADRSXOA-SMDDNHRTSA-N 1 0 280.343 3.096 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC001169007403 807552161 /nfs/dbraw/zinc/55/21/61/807552161.db2.gz NFVQLKCRUMYLJM-HUUCEWRRSA-N 1 0 280.412 3.478 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021870 807553940 /nfs/dbraw/zinc/55/39/40/807553940.db2.gz ASWRGDVIOMMHSX-BPUTZDHNSA-N 1 0 289.379 3.054 20 5 CGBDRO C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027821 807554067 /nfs/dbraw/zinc/55/40/67/807554067.db2.gz QUBCKPAYELYQGG-WCQYABFASA-N 1 0 282.771 3.217 20 5 CGBDRO C[N@H+](CCc1cccc(Cl)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036440 807555312 /nfs/dbraw/zinc/55/53/12/807555312.db2.gz OLKJUNZEJPYAMN-HIFRSBDPSA-N 1 0 296.798 3.260 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036510 807555323 /nfs/dbraw/zinc/55/53/23/807555323.db2.gz GFARUBUXSKVDTO-WCQYABFASA-N 1 0 294.782 3.144 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC001169030318 807555994 /nfs/dbraw/zinc/55/59/94/807555994.db2.gz YQSAIRRDAMUIFE-UPJWGTAASA-N 1 0 280.393 3.330 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC001169039772 807557015 /nfs/dbraw/zinc/55/70/15/807557015.db2.gz TUDIIPINMGDZNM-INWMFGNUSA-N 1 0 292.354 3.060 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)C1 ZINC001169039515 807557247 /nfs/dbraw/zinc/55/72/47/807557247.db2.gz QNGNBRBVNOAWPP-HZSPNIEDSA-N 1 0 284.375 3.036 20 5 CGBDRO CC1(C)C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039260 807557262 /nfs/dbraw/zinc/55/72/62/807557262.db2.gz OSEIKYGSLWJAQH-DZGCQCFKSA-N 1 0 288.391 3.225 20 5 CGBDRO C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056804 807562418 /nfs/dbraw/zinc/56/24/18/807562418.db2.gz SUAPLHGCYNDSJJ-YDHLFZDLSA-N 1 0 274.364 3.051 20 5 CGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001169554560 807665423 /nfs/dbraw/zinc/66/54/23/807665423.db2.gz KQYPZQMTGFURKU-UONOGXRCSA-N 1 0 294.399 3.048 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170315871 807826134 /nfs/dbraw/zinc/82/61/34/807826134.db2.gz YYPZIQRRZASJLO-LLVKDONJSA-N 1 0 292.379 3.313 20 5 CGBDRO CC(C)[C@@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001262238373 807839888 /nfs/dbraw/zinc/83/98/88/807839888.db2.gz XXFMVWSUNBHLTL-GFCCVEGCSA-N 1 0 290.285 3.269 20 5 CGBDRO CC(F)(F)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896762 808475111 /nfs/dbraw/zinc/47/51/11/808475111.db2.gz RPTSLCGYFGPXOD-GFCCVEGCSA-N 1 0 284.306 3.087 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1C[C@H](F)C1)CC2 ZINC001172901984 808476254 /nfs/dbraw/zinc/47/62/54/808476254.db2.gz RYDDWTCGNIVVPT-KCPJHIHWSA-N 1 0 292.354 3.180 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C2CC2)c1F ZINC001173177104 808533286 /nfs/dbraw/zinc/53/32/86/808533286.db2.gz ONSFDMXYBXXOGQ-UWVGGRQHSA-N 1 0 296.342 3.062 20 5 CGBDRO CCC[N@H+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184918 808533706 /nfs/dbraw/zinc/53/37/06/808533706.db2.gz PJBAHMBCOHKOFH-NSHDSACASA-N 1 0 298.358 3.405 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cccnc1 ZINC001173210054 808537923 /nfs/dbraw/zinc/53/79/23/808537923.db2.gz HHIWXDKRJKPUAV-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(F)(F)C1 ZINC001173212037 808537929 /nfs/dbraw/zinc/53/79/29/808537929.db2.gz WJPNLJDTZIBAGP-JTQLQIEISA-N 1 0 284.306 3.161 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC(C)(C)C ZINC001173216892 808538508 /nfs/dbraw/zinc/53/85/08/808538508.db2.gz NMUQOYFBTYGTFP-LLVKDONJSA-N 1 0 250.342 3.162 20 5 CGBDRO CCCCC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217456 808538742 /nfs/dbraw/zinc/53/87/42/808538742.db2.gz VAVHGDYEBDFJEU-LBPRGKRZSA-N 1 0 250.342 3.306 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(O)cc1 ZINC001173215098 808539059 /nfs/dbraw/zinc/53/90/59/808539059.db2.gz RZHOUOAIGAZHJQ-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO CC(C)[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216653 808539209 /nfs/dbraw/zinc/53/92/09/808539209.db2.gz MNGWSFBHRXPVKT-VXGBXAGGSA-N 1 0 250.342 3.160 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC(C)C1 ZINC001173222527 808539909 /nfs/dbraw/zinc/53/99/09/808539909.db2.gz SUYXKUMUJPMCOS-AVERBVTBSA-N 1 0 262.353 3.256 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCOC(C)(C)C1 ZINC001173227596 808541244 /nfs/dbraw/zinc/54/12/44/808541244.db2.gz REWIQSKFJFZFIJ-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOC(C)(C)C ZINC001173224764 808541962 /nfs/dbraw/zinc/54/19/62/808541962.db2.gz OTUMJKAEIAHONP-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173231005 808542393 /nfs/dbraw/zinc/54/23/93/808542393.db2.gz IGYLAENHWASBTR-CQSZACIVSA-N 1 0 299.374 3.361 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](F)CC1 ZINC001173229399 808542888 /nfs/dbraw/zinc/54/28/88/808542888.db2.gz UEGFEJBNKVNYBA-TZMCWYRMSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC(c2cccnc2)C1 ZINC001173231811 808543381 /nfs/dbraw/zinc/54/33/81/808543381.db2.gz DEWRSAVYATXDOD-ZDUSSCGKSA-N 1 0 297.358 3.020 20 5 CGBDRO COc1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)[nH+]cc1C ZINC001175902072 809568325 /nfs/dbraw/zinc/56/83/25/809568325.db2.gz FRDYJLBCWQRMRR-BQYQJAHWSA-N 1 0 285.303 3.390 20 5 CGBDRO CCO[C@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC001177943039 809834683 /nfs/dbraw/zinc/83/46/83/809834683.db2.gz NKYOBNPOOAZZQC-MRXNPFEDSA-N 1 0 294.395 3.444 20 5 CGBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC001186871939 810367055 /nfs/dbraw/zinc/36/70/55/810367055.db2.gz DYCVVUAUFGYWNQ-WCQYABFASA-N 1 0 295.408 3.394 20 5 CGBDRO Cc1ccc2[nH+]c(N)n(-c3ccc(C)cc3[N+](=O)[O-])c2c1 ZINC001214164838 815375308 /nfs/dbraw/zinc/37/53/08/815375308.db2.gz FCJMVEHEFJUPJU-UHFFFAOYSA-N 1 0 282.303 3.133 20 5 CGBDRO CCC[C@]1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001191258632 810693746 /nfs/dbraw/zinc/69/37/46/810693746.db2.gz OUFIZLKKCDMEFX-OAHLLOKOSA-N 1 0 277.368 3.392 20 5 CGBDRO CCOCC[N@H+](CC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001204859140 812755695 /nfs/dbraw/zinc/75/56/95/812755695.db2.gz ANVPSENZYNLDGY-UHFFFAOYSA-N 1 0 280.368 3.070 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cnc2c(c1)C[N@H+](C)CC2 ZINC001211286414 814869973 /nfs/dbraw/zinc/86/99/73/814869973.db2.gz TWCDZZNRFSBTIY-UHFFFAOYSA-N 1 0 298.346 3.030 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3CCCC[NH2+]C3)nc2c1 ZINC001217969919 816022523 /nfs/dbraw/zinc/02/25/23/816022523.db2.gz FZXCLUPORANVQJ-CYBMUJFWSA-N 1 0 293.370 3.304 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001217987748 816035036 /nfs/dbraw/zinc/03/50/36/816035036.db2.gz MZTSXFGYUBRCBM-TVQRCGJNSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H](Oc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218000670 816043646 /nfs/dbraw/zinc/04/36/46/816043646.db2.gz BRZKGQWCKUTDMN-SECBINFHSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001218028881 816063667 /nfs/dbraw/zinc/06/36/67/816063667.db2.gz YBAKGUKYJSEEKO-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)CC[NH2+]1 ZINC001218048777 816073965 /nfs/dbraw/zinc/07/39/65/816073965.db2.gz GTNCGQZVUAYKLL-VXGBXAGGSA-N 1 0 286.331 3.267 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090627 816091889 /nfs/dbraw/zinc/09/18/89/816091889.db2.gz CJDSLLCKRFEVGH-TZMCWYRMSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218096844 816096659 /nfs/dbraw/zinc/09/66/59/816096659.db2.gz UXVXKMROEADCKP-UONOGXRCSA-N 1 0 296.754 3.159 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC001218189607 816121342 /nfs/dbraw/zinc/12/13/42/816121342.db2.gz HOYIHPQYJFGITL-JOCQHMNTSA-N 1 0 278.352 3.121 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC001218189674 816121422 /nfs/dbraw/zinc/12/14/22/816121422.db2.gz INNNLJDTXWBMIL-JOCQHMNTSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262361 816144852 /nfs/dbraw/zinc/14/48/52/816144852.db2.gz HRMKNVHJDUPCIR-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2C=CC[NH2+]C2)cc1 ZINC001218334986 816171240 /nfs/dbraw/zinc/17/12/40/816171240.db2.gz SHXFEYQVMAMDAM-HNNXBMFYSA-N 1 0 296.326 3.169 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1C[C@H]2C[NH2+]C[C@H]21 ZINC001218333142 816171351 /nfs/dbraw/zinc/17/13/51/816171351.db2.gz XZSIBCKRWJPTBL-MORSLUCNSA-N 1 0 290.366 3.375 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@@H](C)[NH2+]C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218408782 816200722 /nfs/dbraw/zinc/20/07/22/816200722.db2.gz SWNBROYWGOGYFL-MFKMUULPSA-N 1 0 278.352 3.039 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c2ccccc21 ZINC001218474126 816232118 /nfs/dbraw/zinc/23/21/18/816232118.db2.gz HNBQVUKBOBVDHG-OWRWGESLSA-N 1 0 284.315 3.020 20 5 CGBDRO C[C@H](O[C@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429541 816629081 /nfs/dbraw/zinc/62/90/81/816629081.db2.gz LMKAPZITRDQBSH-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO CC(C)c1ccccc1CO[C@H](C)C[N+](C)(C)C ZINC001223911961 816702559 /nfs/dbraw/zinc/70/25/59/816702559.db2.gz YXCZOPADFDFSFX-CQSZACIVSA-N 1 0 250.406 3.421 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027445 816722971 /nfs/dbraw/zinc/72/29/71/816722971.db2.gz VIWAJNYKVUXYDC-WFASDCNBSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1c(Cl)cncc1Cl ZINC001224773067 816878333 /nfs/dbraw/zinc/87/83/33/816878333.db2.gz DEHRPIAEWQHQON-SECBINFHSA-N 1 0 278.203 3.172 20 5 CGBDRO Cc1ccc(OC(C)C)c(COCC[N+](C)(C)C)c1 ZINC001224773186 816878443 /nfs/dbraw/zinc/87/84/43/816878443.db2.gz FKCMXVFSRFAEGR-UHFFFAOYSA-N 1 0 266.405 3.005 20 5 CGBDRO Cc1ccc2cccnc2c1O[C@@H](C)C[N+](C)(C)C ZINC001225479112 817066894 /nfs/dbraw/zinc/06/68/94/817066894.db2.gz KRMAGNZKCQSPAO-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225786304 817177991 /nfs/dbraw/zinc/17/79/91/817177991.db2.gz QOHMGILDEPMKFY-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)ccc(Cl)c1F ZINC001225903262 817211956 /nfs/dbraw/zinc/21/19/56/817211956.db2.gz BRTZFVPTLLTGST-QMMMGPOBSA-N 1 0 264.723 3.092 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001228198096 817837175 /nfs/dbraw/zinc/83/71/75/817837175.db2.gz FEFWPBNZBBCAKL-SSDOTTSWSA-N 1 0 293.150 3.231 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001228229175 817845164 /nfs/dbraw/zinc/84/51/64/817845164.db2.gz FIBSSBRFGOMDGX-BTTYYORXSA-N 1 0 290.363 3.216 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228257747 817853446 /nfs/dbraw/zinc/85/34/46/817853446.db2.gz LFCKXINMOWSPLR-CYBMUJFWSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccc(Cl)c2n1 ZINC001231400550 818092344 /nfs/dbraw/zinc/09/23/44/818092344.db2.gz UDALMDSVELISFT-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])c(C)cc1F ZINC001234057687 818769814 /nfs/dbraw/zinc/76/98/14/818769814.db2.gz XYQZYUHXKSQQBB-NSHDSACASA-N 1 0 284.331 3.151 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)nc1Cl ZINC001234308110 818834330 /nfs/dbraw/zinc/83/43/30/818834330.db2.gz QFBPDGNNXBLBRY-MRVPVSSYSA-N 1 0 297.728 3.227 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(OC(F)(F)F)ccc1F ZINC001234374089 818845723 /nfs/dbraw/zinc/84/57/23/818845723.db2.gz UGCXOLGVYTVEJH-VIFPVBQESA-N 1 0 296.284 3.198 20 5 CGBDRO c1ccc2cc3c(cc2c1)ncnc3C1=CCC[NH2+]C1 ZINC001240657364 821221034 /nfs/dbraw/zinc/22/10/34/821221034.db2.gz ZEVVMLZVKMGQAO-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001340001722 936394423 /nfs/dbraw/zinc/39/44/23/936394423.db2.gz PXBBJVTZTLQENR-UHFFFAOYSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001459982452 928729893 /nfs/dbraw/zinc/72/98/93/928729893.db2.gz GXDOTFSDOIFWRM-TZMCWYRMSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001458488322 937465284 /nfs/dbraw/zinc/46/52/84/937465284.db2.gz DVIWEOFRRGXMMX-CABCVRRESA-N 1 0 289.379 3.188 20 5 CGBDRO C[C@H](Cc1ccsc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001459620539 937494175 /nfs/dbraw/zinc/49/41/75/937494175.db2.gz IKYBACOMLJKOTF-LLVKDONJSA-N 1 0 291.376 3.114 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC1CCC1)CC2 ZINC001459659391 937494870 /nfs/dbraw/zinc/49/48/70/937494870.db2.gz YLTFZEWBRYIHCI-UHFFFAOYSA-N 1 0 260.337 3.143 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001228920846 932051457 /nfs/dbraw/zinc/05/14/57/932051457.db2.gz JOACAVGCNIPPFQ-CQSZACIVSA-N 1 0 278.352 3.155 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378853 932142300 /nfs/dbraw/zinc/14/23/00/932142300.db2.gz AVQNGMBUBHKUSY-GFCCVEGCSA-N 1 0 298.770 3.500 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229381612 932142504 /nfs/dbraw/zinc/14/25/04/932142504.db2.gz UAIQDSDDHCAMHQ-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229466938 932155901 /nfs/dbraw/zinc/15/59/01/932155901.db2.gz ZFKHVPRSZDGLBA-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229961968 932511326 /nfs/dbraw/zinc/51/13/26/932511326.db2.gz MUKXHOZEABZUKN-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001230040267 932527651 /nfs/dbraw/zinc/52/76/51/932527651.db2.gz KZPVIWHBSLVMJR-SSDOTTSWSA-N 1 0 293.150 3.231 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C)c(C)c([N+](=O)[O-])c2)C1 ZINC001230476911 932576066 /nfs/dbraw/zinc/57/60/66/932576066.db2.gz HIHLZYVBOGGOGZ-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ncc(Cl)cc2c1 ZINC001230579938 932593129 /nfs/dbraw/zinc/59/31/29/932593129.db2.gz MYQVBYULGIDQDT-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc(Cl)c1[N+](=O)[O-])C2 ZINC001230917869 932641877 /nfs/dbraw/zinc/64/18/77/932641877.db2.gz KUYHRDDCKZMZEA-URLYPYJESA-N 1 0 296.754 3.252 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)c(F)c1 ZINC001332437139 932745023 /nfs/dbraw/zinc/74/50/23/932745023.db2.gz VAZRXBNBHYBBDF-QWRGUYRKSA-N 1 0 270.279 3.104 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001307682111 932985138 /nfs/dbraw/zinc/98/51/38/932985138.db2.gz GIPUCPVTRPWJKD-BXUZGUMPSA-N 1 0 278.352 3.272 20 5 CGBDRO CCCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001320036975 933985127 /nfs/dbraw/zinc/98/51/27/933985127.db2.gz FTHXZZMHYQUKCR-INIZCTEOSA-N 1 0 292.379 3.140 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001322680115 934328551 /nfs/dbraw/zinc/32/85/51/934328551.db2.gz DVYQEOOIAOPTDQ-WCQYABFASA-N 1 0 281.331 3.019 20 5 CGBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001324459740 934508431 /nfs/dbraw/zinc/50/84/31/934508431.db2.gz MCIQBQFRLIANAR-QWHCGFSZSA-N 1 0 290.363 3.313 20 5 CGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001472832587 937786362 /nfs/dbraw/zinc/78/63/62/937786362.db2.gz YQJWJZFCXWWZLS-ZDUSSCGKSA-N 1 0 277.368 3.127 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])s1 ZINC001472833337 937786365 /nfs/dbraw/zinc/78/63/65/937786365.db2.gz XWVAYCWZAITFQD-NEPJUHHUSA-N 1 0 295.408 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[C@H]3C[C@H]3C1)C2 ZINC001329878018 935250465 /nfs/dbraw/zinc/25/04/65/935250465.db2.gz KIOBFQBBMVCPRB-MBNYWOFBSA-N 1 0 272.348 3.347 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001333368793 935530266 /nfs/dbraw/zinc/53/02/66/935530266.db2.gz MAILPVSUHQVFLF-BNOWGMLFSA-N 1 0 296.317 3.161 20 5 CGBDRO O=[N+]([O-])c1ccccc1CN(c1cc[nH+]cc1)C1CC1 ZINC001336396566 936191573 /nfs/dbraw/zinc/19/15/73/936191573.db2.gz NGMNLTILPXYQJJ-UHFFFAOYSA-N 1 0 269.304 3.159 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC001337492211 936263906 /nfs/dbraw/zinc/26/39/06/936263906.db2.gz GDMRXBCMEAUCEW-GFCCVEGCSA-N 1 0 265.357 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@@H]3CC=CCC3)C2)cc1 ZINC001474570141 937867733 /nfs/dbraw/zinc/86/77/33/937867733.db2.gz ZNWWCNYSTFIDDO-CYBMUJFWSA-N 1 0 288.347 3.014 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCCCCC1 ZINC001559739494 938234339 /nfs/dbraw/zinc/23/43/39/938234339.db2.gz ZEIYTJTXYKJUDM-GFCCVEGCSA-N 1 0 277.368 3.438 20 5 CGBDRO CCCCC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001560211268 938247368 /nfs/dbraw/zinc/24/73/68/938247368.db2.gz BVZQZVZKAQDSPQ-UHFFFAOYSA-N 1 0 278.352 3.286 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCC1 ZINC001560430190 938258438 /nfs/dbraw/zinc/25/84/38/938258438.db2.gz CJZJJAZITZDMMT-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124686034 187148585 /nfs/dbraw/zinc/14/85/85/187148585.db2.gz OIXQPIUAFRENFS-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C2CC2)CC1 ZINC000590006702 346821907 /nfs/dbraw/zinc/82/19/07/346821907.db2.gz OTZLOHHQIAVJNV-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000459655886 534929961 /nfs/dbraw/zinc/92/99/61/534929961.db2.gz GLBMSPHKZUYBHO-YUELXQCFSA-N 1 0 292.379 3.071 20 5 CGBDRO CC[C@H]([NH2+]CC1(CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358297825 529591878 /nfs/dbraw/zinc/59/18/78/529591878.db2.gz LGGRLJZVJZUVCO-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO CC(C)CCC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000338450142 214599299 /nfs/dbraw/zinc/59/92/99/214599299.db2.gz BARSLXYZLFSWJN-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000592374430 346980098 /nfs/dbraw/zinc/98/00/98/346980098.db2.gz GQIFSSJZKBKHSI-XBXGTLAGSA-N 1 0 278.352 3.031 20 5 CGBDRO CCCC[C@](C)(CO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592374463 346980277 /nfs/dbraw/zinc/98/02/77/346980277.db2.gz IUPXHJKLNBUTTJ-DZFYGRHCSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CO)C[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000592398792 346983759 /nfs/dbraw/zinc/98/37/59/346983759.db2.gz UJSJQOXRZPQSCV-DUVNUKRYSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264514 345050057 /nfs/dbraw/zinc/05/00/57/345050057.db2.gz BQYBOKQVHYYDSB-AOOOYVTPSA-N 1 0 254.355 3.134 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988789 345086240 /nfs/dbraw/zinc/08/62/40/345086240.db2.gz BSANUFJOSNQTMJ-UHFFFAOYSA-N 1 0 290.363 3.094 20 5 CGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000065299242 345271381 /nfs/dbraw/zinc/27/13/81/345271381.db2.gz DJVJXNOTRSCKEQ-LBPRGKRZSA-N 1 0 250.342 3.461 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023030 345491287 /nfs/dbraw/zinc/49/12/87/345491287.db2.gz OSOMXKVNQGWCBL-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO COCC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075740471 345521179 /nfs/dbraw/zinc/52/11/79/345521179.db2.gz YOIQXEDLNGDIRG-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000077994989 345588348 /nfs/dbraw/zinc/58/83/48/345588348.db2.gz MAYQYGNUFFXPSD-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CC[NH+](CC)CCSc1ccc([N+](=O)[O-])c(C)c1 ZINC000092658316 345850156 /nfs/dbraw/zinc/85/01/56/345850156.db2.gz HKRJCOXFTQPYGY-UHFFFAOYSA-N 1 0 268.382 3.337 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000142162793 346110870 /nfs/dbraw/zinc/11/08/70/346110870.db2.gz RJOYWHGPTBBKQG-INIZCTEOSA-N 1 0 283.331 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000158240362 346163561 /nfs/dbraw/zinc/16/35/61/346163561.db2.gz GASPJKPVXYARNM-AWEZNQCLSA-N 1 0 280.393 3.013 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000157395356 346161289 /nfs/dbraw/zinc/16/12/89/346161289.db2.gz XEZZXRSORFVOHA-GFCCVEGCSA-N 1 0 277.368 3.045 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000205266261 346282523 /nfs/dbraw/zinc/28/25/23/346282523.db2.gz VNYJNIVRXWKFFP-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CSCCCCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000235137594 346334126 /nfs/dbraw/zinc/33/41/26/346334126.db2.gz AQWQEIQHDCFEST-UHFFFAOYSA-N 1 0 282.409 3.260 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000227631180 346309984 /nfs/dbraw/zinc/30/99/84/346309984.db2.gz PDAQSKMEARISJM-OPFPJEHXSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)C([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000380675775 346556776 /nfs/dbraw/zinc/55/67/76/346556776.db2.gz NYQXFHPMRPKAEF-UHFFFAOYSA-N 1 0 250.342 3.365 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C(F)(F)F ZINC000584706926 346709051 /nfs/dbraw/zinc/70/90/51/346709051.db2.gz HHBOEUSMGBSRFZ-UHFFFAOYSA-N 1 0 282.287 3.334 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000588865089 346771548 /nfs/dbraw/zinc/77/15/48/346771548.db2.gz MJVYCOQBNVJUAZ-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593722523 347108716 /nfs/dbraw/zinc/10/87/16/347108716.db2.gz SXJMQUKMLGVPAW-MLGOLLRUSA-N 1 0 292.379 3.451 20 5 CGBDRO CCCC[N@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494309 346798345 /nfs/dbraw/zinc/79/83/45/346798345.db2.gz IGSNLYIQFRBSJW-UHFFFAOYSA-N 1 0 294.351 3.003 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594045468 347143861 /nfs/dbraw/zinc/14/38/61/347143861.db2.gz XCGWENPJRSJFJQ-HUUCEWRRSA-N 1 0 278.352 3.032 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594601947 347199786 /nfs/dbraw/zinc/19/97/86/347199786.db2.gz PWXOVTMPYACNHR-PWSUYJOCSA-N 1 0 281.381 3.085 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000594519708 347188142 /nfs/dbraw/zinc/18/81/42/347188142.db2.gz XYRCYKRAOSRMLS-XYPYZODXSA-N 1 0 284.381 3.092 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000594993045 347251103 /nfs/dbraw/zinc/25/11/03/347251103.db2.gz CQJQGAWLPRFTKK-MRXNPFEDSA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)c1 ZINC000594996012 347251728 /nfs/dbraw/zinc/25/17/28/347251728.db2.gz QDAOVKXUFBIIEU-IXDOHACOSA-N 1 0 298.317 3.162 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594724121 347213796 /nfs/dbraw/zinc/21/37/96/347213796.db2.gz DGQTWZJVEJYWIJ-LALPHHSUSA-N 1 0 278.352 3.203 20 5 CGBDRO CCc1ccc(C)[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000594743623 347215722 /nfs/dbraw/zinc/21/57/22/347215722.db2.gz SZKJLBPLFHTMJB-UHFFFAOYSA-N 1 0 271.320 3.473 20 5 CGBDRO CC1(C)OCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594995243 347252234 /nfs/dbraw/zinc/25/22/34/347252234.db2.gz LNLJFSSNNZYVOD-BRLPQQTGSA-N 1 0 290.363 3.013 20 5 CGBDRO COc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1C ZINC000594997805 347253142 /nfs/dbraw/zinc/25/31/42/347253142.db2.gz CSIONOJYXBGRPM-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CSCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594962124 347242447 /nfs/dbraw/zinc/24/24/47/347242447.db2.gz BJNZIOOHURFWNL-UHFFFAOYSA-N 1 0 298.383 3.357 20 5 CGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594968482 347244365 /nfs/dbraw/zinc/24/43/65/347244365.db2.gz HILLPODLTRTLFW-YVEFUNNKSA-N 1 0 282.343 3.413 20 5 CGBDRO CC[C@H](C)CC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000594967271 347244778 /nfs/dbraw/zinc/24/47/78/347244778.db2.gz KAWPRALOWBQSPN-NSHDSACASA-N 1 0 266.341 3.129 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(F)F ZINC000594976330 347246980 /nfs/dbraw/zinc/24/69/80/347246980.db2.gz AAABEPKRERYFKI-SNVBAGLBSA-N 1 0 276.308 3.181 20 5 CGBDRO CCSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000594986760 347249174 /nfs/dbraw/zinc/24/91/74/347249174.db2.gz JBGLJQNDCXVHQR-UHFFFAOYSA-N 1 0 280.393 3.279 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH+](CC1CC1)CC1CC1 ZINC000595369742 347296597 /nfs/dbraw/zinc/29/65/97/347296597.db2.gz AFSSTRODYVDCOS-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCC1 ZINC000595009591 347255789 /nfs/dbraw/zinc/25/57/89/347255789.db2.gz UCTYBPWCFMNIIQ-JTQLQIEISA-N 1 0 264.325 3.054 20 5 CGBDRO CCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008891 347255821 /nfs/dbraw/zinc/25/58/21/347255821.db2.gz XKSZEFJNLRTVRC-SNVBAGLBSA-N 1 0 252.314 3.054 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CSC1(C)C ZINC000595039090 347266444 /nfs/dbraw/zinc/26/64/44/347266444.db2.gz NFZJGRUOKLXHMR-ZANVPECISA-N 1 0 296.392 3.148 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000595043164 347267272 /nfs/dbraw/zinc/26/72/72/347267272.db2.gz HDOLPYVNXVZPIW-CWSCBRNRSA-N 1 0 296.392 3.148 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000595047936 347268555 /nfs/dbraw/zinc/26/85/55/347268555.db2.gz IHIXBMNFLUVWER-VXGBXAGGSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2COC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000595047934 347268704 /nfs/dbraw/zinc/26/87/04/347268704.db2.gz IHIXBMNFLUVWER-NWDGAFQWSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000595047933 347268908 /nfs/dbraw/zinc/26/89/08/347268908.db2.gz IHIXBMNFLUVWER-NEPJUHHUSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000595048982 347269391 /nfs/dbraw/zinc/26/93/91/347269391.db2.gz IHTWKHZIWVGBPE-QWRGUYRKSA-N 1 0 296.392 3.007 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595053966 347270883 /nfs/dbraw/zinc/27/08/83/347270883.db2.gz KQBNQDBTPWSLJQ-SWLSCSKDSA-N 1 0 291.395 3.118 20 5 CGBDRO CC[C@@H](COCC1CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595056651 347271827 /nfs/dbraw/zinc/27/18/27/347271827.db2.gz OZVLEQQFHCTMAO-WFASDCNBSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595066478 347276095 /nfs/dbraw/zinc/27/60/95/347276095.db2.gz HRFHTQYWZGRPPX-IUODEOHRSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(F)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595086581 347279704 /nfs/dbraw/zinc/27/97/04/347279704.db2.gz LPAIDNLENKROAD-VXGBXAGGSA-N 1 0 298.362 3.003 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094906 347282192 /nfs/dbraw/zinc/28/21/92/347282192.db2.gz OGKWVOKVKFENEF-BLLLJJGKSA-N 1 0 292.379 3.451 20 5 CGBDRO CC1(C)[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1(F)F ZINC000595095794 347283049 /nfs/dbraw/zinc/28/30/49/347283049.db2.gz YCMXUIFBDSURSF-WCQYABFASA-N 1 0 296.317 3.463 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000595598515 347323600 /nfs/dbraw/zinc/32/36/00/347323600.db2.gz FQVHSUZJZRQPMP-JTQLQIEISA-N 1 0 284.331 3.363 20 5 CGBDRO CCS[C@H]1CCCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595446055 347304602 /nfs/dbraw/zinc/30/46/02/347304602.db2.gz BJQVKXMNQHJIHX-PWSUYJOCSA-N 1 0 299.396 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[C@H]4C3)co2)cc1 ZINC000595813218 347357898 /nfs/dbraw/zinc/35/78/98/347357898.db2.gz ZAJKIDWFYZFSHU-STQMWFEESA-N 1 0 299.330 3.092 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596305903 347414261 /nfs/dbraw/zinc/41/42/61/347414261.db2.gz CPWJVRLMRBETJH-LLVKDONJSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000596309269 347414931 /nfs/dbraw/zinc/41/49/31/347414931.db2.gz XHAXMDPXNVMRTO-ZDUSSCGKSA-N 1 0 291.395 3.436 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157010 347391938 /nfs/dbraw/zinc/39/19/38/347391938.db2.gz WKYFBRVAPQJIJC-PSASIEDQSA-N 1 0 281.381 3.002 20 5 CGBDRO Cc1cc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596189089 347396509 /nfs/dbraw/zinc/39/65/09/347396509.db2.gz NLYFVGHKLMXTHD-UHFFFAOYSA-N 1 0 283.397 3.109 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CC1(F)F ZINC000598675945 347678161 /nfs/dbraw/zinc/67/81/61/347678161.db2.gz AZRAOIITCKRVLJ-JOYOIKCWSA-N 1 0 282.290 3.217 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598679038 347678194 /nfs/dbraw/zinc/67/81/94/347678194.db2.gz DDYUMILDYLRTET-GXSJLCMTSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1CCCOC1 ZINC000598984832 347703776 /nfs/dbraw/zinc/70/37/76/347703776.db2.gz CRUZKQLAOWTWKB-UMSKNGNOSA-N 1 0 290.363 3.014 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598998061 347704630 /nfs/dbraw/zinc/70/46/30/347704630.db2.gz DEWHPIYJLWICSZ-LNFQDOKXSA-N 1 0 290.363 3.010 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CC=CC1 ZINC000599064187 347713510 /nfs/dbraw/zinc/71/35/10/347713510.db2.gz KTGOPMLZZDJRFZ-LLVKDONJSA-N 1 0 276.336 3.220 20 5 CGBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000599075040 347715175 /nfs/dbraw/zinc/71/51/75/347715175.db2.gz REGGXCLUQJMUEA-HJHSNUOESA-N 1 0 278.352 3.057 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000599093566 347716162 /nfs/dbraw/zinc/71/61/62/347716162.db2.gz RWMPCXMLARZRQK-NOLJZWGESA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC(F)(F)CC2)cc1 ZINC000599551862 347753435 /nfs/dbraw/zinc/75/34/35/347753435.db2.gz SWCMDKHVWZGFOG-UHFFFAOYSA-N 1 0 270.279 3.216 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553357 347754502 /nfs/dbraw/zinc/75/45/02/347754502.db2.gz QIEAXHZPPWUIAP-KGLIPLIRSA-N 1 0 278.377 3.065 20 5 CGBDRO Cc1ccc(-c2cccc([C@H]3C[NH2+]CCO3)c2)cc1[N+](=O)[O-] ZINC000600789585 347836295 /nfs/dbraw/zinc/83/62/95/347836295.db2.gz GHKGKGLXCGDZDM-QGZVFWFLSA-N 1 0 298.342 3.231 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000601138447 347874028 /nfs/dbraw/zinc/87/40/28/347874028.db2.gz STMJFVAAUNTWEE-AWEZNQCLSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)cc1 ZINC000601156138 347876113 /nfs/dbraw/zinc/87/61/13/347876113.db2.gz LNFFJSVYBPCMKG-HOTGVXAUSA-N 1 0 290.363 3.032 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000601298468 347889939 /nfs/dbraw/zinc/88/99/39/347889939.db2.gz IPZLKSXSVYHHON-OVTCNUJSSA-N 1 0 290.363 3.128 20 5 CGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602637567 347998530 /nfs/dbraw/zinc/99/85/30/347998530.db2.gz FRMORTZPLWHNAX-MNOVXSKESA-N 1 0 289.335 3.262 20 5 CGBDRO CC[C@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602717725 348016542 /nfs/dbraw/zinc/01/65/42/348016542.db2.gz NNZNKELDURIQJE-HNNXBMFYSA-N 1 0 289.335 3.404 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CCF)CC1 ZINC000602949247 348046684 /nfs/dbraw/zinc/04/66/84/348046684.db2.gz XJWLULQMJFXLJN-UHFFFAOYSA-N 1 0 296.342 3.175 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609386610 348343379 /nfs/dbraw/zinc/34/33/79/348343379.db2.gz YMZFMNZEUZGIQL-UKRRQHHQSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC000609560573 348346774 /nfs/dbraw/zinc/34/67/74/348346774.db2.gz PHWOLHPMAYHEFY-IJLUTSLNSA-N 1 0 297.424 3.435 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC1CC1 ZINC000609902138 348357181 /nfs/dbraw/zinc/35/71/81/348357181.db2.gz INDXGXGRQBNLFR-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2ccc(O)cc2)C2CC2)cc1 ZINC000610000911 348360236 /nfs/dbraw/zinc/36/02/36/348360236.db2.gz AXJWNHJBGYVIDA-UHFFFAOYSA-N 1 0 298.342 3.465 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610133374 348363847 /nfs/dbraw/zinc/36/38/47/348363847.db2.gz LHSBMBUISJBAFV-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO CCCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CC1 ZINC000351971229 219270329 /nfs/dbraw/zinc/27/03/29/219270329.db2.gz RDUXNCBRPANWDN-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC000611515995 348458061 /nfs/dbraw/zinc/45/80/61/348458061.db2.gz YMIRYBWVSFDBIQ-UONOGXRCSA-N 1 0 292.379 3.059 20 5 CGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515326 348458186 /nfs/dbraw/zinc/45/81/86/348458186.db2.gz JGQQXQJDRAHFTG-KBPBESRZSA-N 1 0 292.379 3.323 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000351983661 219275538 /nfs/dbraw/zinc/27/55/38/219275538.db2.gz IOMRZCALENUGBN-ZDUSSCGKSA-N 1 0 278.352 3.224 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)s1 ZINC000615488913 348744728 /nfs/dbraw/zinc/74/47/28/348744728.db2.gz IGYKREGOWVLTES-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000358324166 233107768 /nfs/dbraw/zinc/10/77/68/233107768.db2.gz OEFPMYRPAPUFEC-LBPRGKRZSA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000617976627 349032259 /nfs/dbraw/zinc/03/22/59/349032259.db2.gz ABHWQTHJUFPULL-NSHDSACASA-N 1 0 281.381 3.085 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000271330436 191077267 /nfs/dbraw/zinc/07/72/67/191077267.db2.gz CGPJPNICROFHDP-KWCYVHTRSA-N 1 0 292.379 3.369 20 5 CGBDRO COC1CCC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000361924112 233758727 /nfs/dbraw/zinc/75/87/27/233758727.db2.gz GCZOXPVUADAFQQ-VEAWUBTESA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000271474741 191158868 /nfs/dbraw/zinc/15/88/68/191158868.db2.gz ZXRLALVXFXFHBS-AGIUHOORSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000271583465 191225867 /nfs/dbraw/zinc/22/58/67/191225867.db2.gz RUNOGYWARFXJAG-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCSC1 ZINC000271851388 191367514 /nfs/dbraw/zinc/36/75/14/191367514.db2.gz TVIVFVPOQOLXKJ-VUUYWXRKSA-N 1 0 278.377 3.093 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000272553316 191783929 /nfs/dbraw/zinc/78/39/29/191783929.db2.gz DEFQZHOAQIHIGO-OLZOCXBDSA-N 1 0 280.368 3.105 20 5 CGBDRO Cc1nc(C)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000076868852 137940283 /nfs/dbraw/zinc/94/02/83/137940283.db2.gz HTZMGFMMIDZSDJ-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCC[C@H]1F ZINC000414509083 235421794 /nfs/dbraw/zinc/42/17/94/235421794.db2.gz DYHGTLRRPVEBTA-KMVAXQJASA-N 1 0 278.327 3.478 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000174555133 188905803 /nfs/dbraw/zinc/90/58/03/188905803.db2.gz SUOMYYVXBDLBSG-XOVSCCBYSA-N 1 0 292.379 3.401 20 5 CGBDRO Cc1c(CN(Cc2cccnc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124713468 138377642 /nfs/dbraw/zinc/37/76/42/138377642.db2.gz QBOCYGQYJKNOKI-UHFFFAOYSA-N 1 0 297.358 3.463 20 5 CGBDRO CCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000294681542 199132313 /nfs/dbraw/zinc/13/23/13/199132313.db2.gz BRESPDBWDJPVNH-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294802216 199190479 /nfs/dbraw/zinc/19/04/79/199190479.db2.gz PAJKJNIEQBVYQB-QMTHXVAHSA-N 1 0 295.408 3.113 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000297293602 200137689 /nfs/dbraw/zinc/13/76/89/200137689.db2.gz LYTHLNCPCPILOM-STQMWFEESA-N 1 0 280.368 3.369 20 5 CGBDRO CCSCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181562442 189300716 /nfs/dbraw/zinc/30/07/16/189300716.db2.gz JEGSVRZPZTVZNR-ZDUSSCGKSA-N 1 0 268.382 3.389 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000301517950 201041672 /nfs/dbraw/zinc/04/16/72/201041672.db2.gz DGYPEZQSPQDBHA-AWEZNQCLSA-N 1 0 277.368 3.190 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301594034 201086436 /nfs/dbraw/zinc/08/64/36/201086436.db2.gz RJLRVRCVFQGIMR-QWRGUYRKSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1cc(CN(C)[C@@H](C)c2cc([N+](=O)[O-])ccc2C)no1 ZINC000182651271 189330259 /nfs/dbraw/zinc/33/02/59/189330259.db2.gz NNCCLESIJAERRA-LBPRGKRZSA-N 1 0 289.335 3.393 20 5 CGBDRO Cc1ccc(NC[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000301807674 201211057 /nfs/dbraw/zinc/21/10/57/201211057.db2.gz FVSNHPNHOHGAAA-CQSZACIVSA-N 1 0 291.395 3.436 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000449259758 239276420 /nfs/dbraw/zinc/27/64/20/239276420.db2.gz SMYLWFZBMMFLKW-TZMCWYRMSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCCC1 ZINC000302175064 201381539 /nfs/dbraw/zinc/38/15/39/201381539.db2.gz QPOVKAQLVHBCCV-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])ccn1 ZINC000449405576 239389786 /nfs/dbraw/zinc/38/97/86/239389786.db2.gz ZGEKCLRHAPGAMD-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000119999485 370730246 /nfs/dbraw/zinc/73/02/46/370730246.db2.gz IKQCICXUPUFINT-MAZHCROVSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000451101634 240217122 /nfs/dbraw/zinc/21/71/22/240217122.db2.gz DREOLNRYOSYVAG-IUCAKERBSA-N 1 0 276.258 3.444 20 5 CGBDRO COc1ccc(C[N@@H+]2[C@@H](C)CCC2(C)C)cc1[N+](=O)[O-] ZINC000452003984 240394660 /nfs/dbraw/zinc/39/46/60/240394660.db2.gz GZTNFOWKDGNCSL-NSHDSACASA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453586725 240964990 /nfs/dbraw/zinc/96/49/90/240964990.db2.gz VQHUQKRLBIDNJE-CQSZACIVSA-N 1 0 292.379 3.198 20 5 CGBDRO CCC[C@H](N[C@@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423567094 283936398 /nfs/dbraw/zinc/93/63/98/283936398.db2.gz URLKRPTVRJMQGC-ZBFHGGJFSA-N 1 0 291.395 3.168 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121697497 370887272 /nfs/dbraw/zinc/88/72/72/370887272.db2.gz DBQJDAMCXDMSIS-SNVBAGLBSA-N 1 0 299.321 3.017 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000471798826 242773174 /nfs/dbraw/zinc/77/31/74/242773174.db2.gz NYGNCYWGSDKBIV-QLLDGSJBSA-N 1 0 290.363 3.155 20 5 CGBDRO CCC[NH+](CCC)CCc1ccc([N+](=O)[O-])cc1 ZINC000001666811 368427748 /nfs/dbraw/zinc/42/77/48/368427748.db2.gz XKHPCBLMTZYALS-UHFFFAOYSA-N 1 0 250.342 3.259 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000034996423 368987842 /nfs/dbraw/zinc/98/78/42/368987842.db2.gz DXQGNUZQIUETPG-OAHLLOKOSA-N 1 0 284.315 3.208 20 5 CGBDRO CCC[NH+]1CCC(Nc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000037059699 369056707 /nfs/dbraw/zinc/05/67/07/369056707.db2.gz HQIPDKNMSCMDEY-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000219153533 376196611 /nfs/dbraw/zinc/19/66/11/376196611.db2.gz DXFYCSVFDIPHAP-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000037153281 296146509 /nfs/dbraw/zinc/14/65/09/296146509.db2.gz JUEGLXRTROWGGY-UONOGXRCSA-N 1 0 291.395 3.120 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276337331 193291993 /nfs/dbraw/zinc/29/19/93/193291993.db2.gz SMNQEHOTIXDOGQ-LBPRGKRZSA-N 1 0 298.383 3.451 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276337330 193292648 /nfs/dbraw/zinc/29/26/48/193292648.db2.gz SMNQEHOTIXDOGQ-GFCCVEGCSA-N 1 0 298.383 3.451 20 5 CGBDRO Cc1c(C[N@@H+]([C@@H](C)CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000276440895 193331591 /nfs/dbraw/zinc/33/15/91/193331591.db2.gz LDVCTQFGDNIKDT-LBPRGKRZSA-N 1 0 292.379 3.029 20 5 CGBDRO CC[C@@H]1C[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CCS1 ZINC000093502141 370134926 /nfs/dbraw/zinc/13/49/26/370134926.db2.gz YPQCQEZPTPRXKA-CYBMUJFWSA-N 1 0 280.393 3.231 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102926919 370314034 /nfs/dbraw/zinc/31/40/34/370314034.db2.gz OJLUJAPFMYRJON-CQSZACIVSA-N 1 0 260.337 3.359 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000116273468 370555290 /nfs/dbraw/zinc/55/52/90/370555290.db2.gz LBOMQVZNDLSGRQ-UHFFFAOYSA-N 1 0 254.717 3.090 20 5 CGBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000117394682 370589885 /nfs/dbraw/zinc/58/98/85/370589885.db2.gz OPTHVWIRZIUYBK-CHWSQXEVSA-N 1 0 280.393 3.359 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000132448086 371175220 /nfs/dbraw/zinc/17/52/20/371175220.db2.gz XYFMWMFFIMDVRI-AAEUAGOBSA-N 1 0 280.393 3.449 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000149727886 371529399 /nfs/dbraw/zinc/52/93/99/371529399.db2.gz YIZAWWREBDLPMZ-ZWNOBZJWSA-N 1 0 266.366 3.141 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810829 213676928 /nfs/dbraw/zinc/67/69/28/213676928.db2.gz JPTVQCSEHZTFCF-PWSUYJOCSA-N 1 0 266.316 3.497 20 5 CGBDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000337320961 214004673 /nfs/dbraw/zinc/00/46/73/214004673.db2.gz PPJZFOIFTDMYKX-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO CC[N@H+](CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000156605802 371988139 /nfs/dbraw/zinc/98/81/39/371988139.db2.gz ZRCMRMYLCDDPKB-AWEZNQCLSA-N 1 0 293.411 3.284 20 5 CGBDRO CCOC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000292844184 372223390 /nfs/dbraw/zinc/22/33/90/372223390.db2.gz BJDUTGDFYSODRW-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC12CCCC2 ZINC000428532879 372227908 /nfs/dbraw/zinc/22/79/08/372227908.db2.gz HPNKNYCYKIXZPW-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO COc1cc(C[NH2+]C2(C(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000292863195 372228856 /nfs/dbraw/zinc/22/88/56/372228856.db2.gz AUOSBPIDYOMIIE-UHFFFAOYSA-N 1 0 282.315 3.021 20 5 CGBDRO C[C@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000344260690 217123827 /nfs/dbraw/zinc/12/38/27/217123827.db2.gz FUOXQEHEGIWMMN-NWDGAFQWSA-N 1 0 296.342 3.029 20 5 CGBDRO COC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000292966621 372263648 /nfs/dbraw/zinc/26/36/48/372263648.db2.gz LVQLBQWDTGENDG-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)c1ccccc1[N+](=O)[O-] ZINC000429306510 372349245 /nfs/dbraw/zinc/34/92/45/372349245.db2.gz MGGXSIMOEHRROO-WCQYABFASA-N 1 0 298.342 3.118 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214531 372386232 /nfs/dbraw/zinc/38/62/32/372386232.db2.gz ZVEJSFKETSJWEC-AAEUAGOBSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000163399378 372467290 /nfs/dbraw/zinc/46/72/90/372467290.db2.gz VMBRBTNGIKZWCK-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294318126 372649241 /nfs/dbraw/zinc/64/92/41/372649241.db2.gz WLFAFYBVTQOTMR-HUBLWGQQSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1ccnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000353506255 220125162 /nfs/dbraw/zinc/12/51/62/220125162.db2.gz XMWAFLCAFLIQMI-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000441441147 373013570 /nfs/dbraw/zinc/01/35/70/373013570.db2.gz AUYCOONTPSTTSQ-CJNGLKHVSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441441592 373014280 /nfs/dbraw/zinc/01/42/80/373014280.db2.gz XGLHSGVZUCOXSM-XJKSGUPXSA-N 1 0 290.363 3.238 20 5 CGBDRO CC(C)OC1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000296079702 373014405 /nfs/dbraw/zinc/01/44/05/373014405.db2.gz QKYCGEROOGHYQY-ZOODHJKOSA-N 1 0 278.352 3.201 20 5 CGBDRO CS[C@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344807473 217318205 /nfs/dbraw/zinc/31/82/05/217318205.db2.gz HFBXQMXJLKGTDO-YTRUQHMWSA-N 1 0 280.393 3.339 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCOC1 ZINC000344820014 217320673 /nfs/dbraw/zinc/32/06/73/217320673.db2.gz WJDNPPUFWSIMTH-RNQWEJQRSA-N 1 0 290.363 3.014 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000173458025 373143759 /nfs/dbraw/zinc/14/37/59/373143759.db2.gz MBAAQTXHIRPSFN-BXUZGUMPSA-N 1 0 280.368 3.307 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC(C)(C)C1 ZINC000353616294 220192973 /nfs/dbraw/zinc/19/29/73/220192973.db2.gz ZDSLQIUHVPQLBP-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCS1 ZINC000345043367 217394497 /nfs/dbraw/zinc/39/44/97/217394497.db2.gz HQWIMNRZZSRVPJ-PINLSGDHSA-N 1 0 292.404 3.483 20 5 CGBDRO CCCC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301129996 373672217 /nfs/dbraw/zinc/67/22/17/373672217.db2.gz SZEKCEIMBRYGCE-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449524734 373823591 /nfs/dbraw/zinc/82/35/91/373823591.db2.gz PKGXFWXNDZGTLE-AWEZNQCLSA-N 1 0 299.374 3.409 20 5 CGBDRO COC[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000539083400 288603301 /nfs/dbraw/zinc/60/33/01/288603301.db2.gz IEHSZDJYVVOAMJ-MRXNPFEDSA-N 1 0 294.395 3.178 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073049 374226594 /nfs/dbraw/zinc/22/65/94/374226594.db2.gz ALLVMIFVLGNNTM-KBPBESRZSA-N 1 0 292.379 3.404 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC000311878729 374259139 /nfs/dbraw/zinc/25/91/39/374259139.db2.gz MSJDYOANROGDHW-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000182244660 374243423 /nfs/dbraw/zinc/24/34/23/374243423.db2.gz CBAVYQRDOZRFAO-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N1CCOC(C)(C)C1 ZINC000182591246 374293864 /nfs/dbraw/zinc/29/38/64/374293864.db2.gz IHPRDJDKYGHEDZ-GFCCVEGCSA-N 1 0 278.352 3.075 20 5 CGBDRO CC[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000331122947 374507068 /nfs/dbraw/zinc/50/70/68/374507068.db2.gz XZVTZMXRVBKQKM-HIFRSBDPSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000186393331 374843386 /nfs/dbraw/zinc/84/33/86/374843386.db2.gz KGFDTQCDACDEIE-LBPRGKRZSA-N 1 0 282.343 3.413 20 5 CGBDRO C[C@H]1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H]1C ZINC000464832036 374907872 /nfs/dbraw/zinc/90/78/72/374907872.db2.gz LFZVTVLCBSONGS-UWVGGRQHSA-N 1 0 268.744 3.336 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759737 375452703 /nfs/dbraw/zinc/45/27/03/375452703.db2.gz XJJHICMWXPCVOG-QWHCGFSZSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000345800709 217706612 /nfs/dbraw/zinc/70/66/12/217706612.db2.gz SSNIFSXSJAUEAQ-VIFPVBQESA-N 1 0 254.355 3.325 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)c1 ZINC000289478431 197366915 /nfs/dbraw/zinc/36/69/15/197366915.db2.gz ZQWLZACKJGHLMJ-INIZCTEOSA-N 1 0 297.358 3.369 20 5 CGBDRO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000336810111 375961231 /nfs/dbraw/zinc/96/12/31/375961231.db2.gz HDPPAORAHFOFIU-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537987167 376216281 /nfs/dbraw/zinc/21/62/81/376216281.db2.gz NHRLQULDWVVKKA-LBPRGKRZSA-N 1 0 250.342 3.306 20 5 CGBDRO CC(C)[N@H+](C)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000221679092 376219354 /nfs/dbraw/zinc/21/93/54/376219354.db2.gz XZMAEVZUGMBZTH-UHFFFAOYSA-N 1 0 285.775 3.390 20 5 CGBDRO CCC[N@H+](CC)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000224416281 376280255 /nfs/dbraw/zinc/28/02/55/376280255.db2.gz PBPZQMJXHYPHHY-INIZCTEOSA-N 1 0 293.411 3.367 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000223515226 376255984 /nfs/dbraw/zinc/25/59/84/376255984.db2.gz JKWLPFLQZDSFHR-CABCVRRESA-N 1 0 280.368 3.187 20 5 CGBDRO CC[NH+](CC)CCCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000338289313 376315974 /nfs/dbraw/zinc/31/59/74/376315974.db2.gz USLBIDYDVKEAFV-UHFFFAOYSA-N 1 0 279.384 3.437 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000539061765 376289784 /nfs/dbraw/zinc/28/97/84/376289784.db2.gz XMZPGINEZCTJCT-AVGNSLFASA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000542317971 376532840 /nfs/dbraw/zinc/53/28/40/376532840.db2.gz KHQFKUGDSFRNKM-ZDUSSCGKSA-N 1 0 262.353 3.463 20 5 CGBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543858326 376684370 /nfs/dbraw/zinc/68/43/70/376684370.db2.gz XVEZBYKHZOVWEV-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000339672384 376798880 /nfs/dbraw/zinc/79/88/80/376798880.db2.gz APKHMJLPJARUIV-AWEZNQCLSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000340520990 377118038 /nfs/dbraw/zinc/11/80/38/377118038.db2.gz AMSVNTOYLUHEQX-XDTLVQLUSA-N 1 0 252.289 3.136 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000573737844 377568170 /nfs/dbraw/zinc/56/81/70/377568170.db2.gz CMAGQKXZQNFKNA-GFCCVEGCSA-N 1 0 265.357 3.127 20 5 CGBDRO CC(C)CCOCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519000125 249291085 /nfs/dbraw/zinc/29/10/85/249291085.db2.gz VRMQTQHTADXMBX-HNNXBMFYSA-N 1 0 292.379 3.234 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C1 ZINC000261469563 377813739 /nfs/dbraw/zinc/81/37/39/377813739.db2.gz UDMIRIKZHBTJTC-LBPRGKRZSA-N 1 0 278.352 3.224 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c(F)c1 ZINC000343956373 378142534 /nfs/dbraw/zinc/14/25/34/378142534.db2.gz DHDHCRQJFFHZGK-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651730 378248819 /nfs/dbraw/zinc/24/88/19/378248819.db2.gz MOEZQFIUOHDSCS-LSDHHAIUSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1cccc(OCc2ccc3c(c2)C[NH2+]CC3)c1[N+](=O)[O-] ZINC000583875007 378355591 /nfs/dbraw/zinc/35/55/91/378355591.db2.gz SFTOUKRONMTCTL-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000271154756 378464441 /nfs/dbraw/zinc/46/44/41/378464441.db2.gz RABHLPYLFNTWAF-NEPJUHHUSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000272535439 378659572 /nfs/dbraw/zinc/65/95/72/378659572.db2.gz RFNHJMILAFIQPT-CYBMUJFWSA-N 1 0 292.379 3.201 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000273004312 378733676 /nfs/dbraw/zinc/73/36/76/378733676.db2.gz ROOJRKRUUXQZKY-SNVBAGLBSA-N 1 0 295.770 3.311 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000275147817 378944915 /nfs/dbraw/zinc/94/49/15/378944915.db2.gz VBCOZEANRBIGQI-XEZPLFJOSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000347344403 218198127 /nfs/dbraw/zinc/19/81/27/218198127.db2.gz LOQWCMARMWPURC-INIZCTEOSA-N 1 0 285.347 3.273 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000352415373 379803371 /nfs/dbraw/zinc/80/33/71/379803371.db2.gz AYKGLXBDBSBSDD-AWEZNQCLSA-N 1 0 290.363 3.368 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000352570296 379863457 /nfs/dbraw/zinc/86/34/57/379863457.db2.gz FRUQYTJVSHTLSO-UHFFFAOYSA-N 1 0 270.332 3.269 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402106115 379962144 /nfs/dbraw/zinc/96/21/44/379962144.db2.gz WUSKPTLOTGKJOX-CHWSQXEVSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1cc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000353985658 380264708 /nfs/dbraw/zinc/26/47/08/380264708.db2.gz DIDIITSXYMUBNM-GFCCVEGCSA-N 1 0 289.335 3.093 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)c1cccnc1 ZINC000414564113 380321640 /nfs/dbraw/zinc/32/16/40/380321640.db2.gz XCYDRHCEUIQEQD-UHFFFAOYSA-N 1 0 291.376 3.119 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC13CC3)CCC2 ZINC000417337934 380598154 /nfs/dbraw/zinc/59/81/54/380598154.db2.gz MEWIODLZQMFQEI-WFASDCNBSA-N 1 0 272.348 3.362 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417364305 380608888 /nfs/dbraw/zinc/60/88/88/380608888.db2.gz MPVWMKIPOMDTGG-OCCSQVGLSA-N 1 0 260.337 3.436 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2CC2)C2CCC2)c1 ZINC000355724411 380759721 /nfs/dbraw/zinc/75/97/21/380759721.db2.gz FIZDWMPQGTXNTK-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO CCCC[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355567730 380712829 /nfs/dbraw/zinc/71/28/29/380712829.db2.gz DDCNGKVYHSZCPF-UHFFFAOYSA-N 1 0 276.340 3.093 20 5 CGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000207390809 542283944 /nfs/dbraw/zinc/28/39/44/542283944.db2.gz YHNUBFWVKWYOPL-CQSZACIVSA-N 1 0 262.353 3.463 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ccncc2)C1 ZINC000289420951 197338814 /nfs/dbraw/zinc/33/88/14/197338814.db2.gz URIGURWKWRVIEJ-HNNXBMFYSA-N 1 0 297.358 3.369 20 5 CGBDRO CO[C@@H](C)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000353783402 220328311 /nfs/dbraw/zinc/32/83/11/220328311.db2.gz WXKOEEKNWWRWHV-ZDUSSCGKSA-N 1 0 280.368 3.149 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccncc3)CC2)c1 ZINC000191659040 285153633 /nfs/dbraw/zinc/15/36/33/285153633.db2.gz VPLJBNSTGRCJON-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO CCC[C@]1(CO)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849774 197179340 /nfs/dbraw/zinc/17/93/40/197179340.db2.gz PBSIWBDFZVKMNQ-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)[NH+](CCCNc1ccc(N)cc1[N+](=O)[O-])C(C)C ZINC000288504980 197097779 /nfs/dbraw/zinc/09/77/79/197097779.db2.gz SIGIYCIJBQWBMX-UHFFFAOYSA-N 1 0 294.399 3.098 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@H]1C ZINC000358416381 533219966 /nfs/dbraw/zinc/21/99/66/533219966.db2.gz WWJTZRWSJUCSAP-GFCCVEGCSA-N 1 0 278.352 3.368 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCSC1 ZINC000468636938 533384398 /nfs/dbraw/zinc/38/43/98/533384398.db2.gz FXMHLSLIHZYWNE-LWMSPQMPSA-N 1 0 278.377 3.093 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414293291 533437286 /nfs/dbraw/zinc/43/72/86/533437286.db2.gz YXMRXUNVDNOFTG-HKUMRIAESA-N 1 0 278.352 3.059 20 5 CGBDRO CSC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000356091701 533509430 /nfs/dbraw/zinc/50/94/30/533509430.db2.gz HBFYCMXOIWKGKT-UHFFFAOYSA-N 1 0 280.393 3.013 20 5 CGBDRO C[NH+](C)CC(C)(C)CNc1c(Cl)cccc1[N+](=O)[O-] ZINC000050351846 392062685 /nfs/dbraw/zinc/06/26/85/392062685.db2.gz DOJFDIYNVPCWPB-UHFFFAOYSA-N 1 0 285.775 3.248 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000223929055 130797932 /nfs/dbraw/zinc/79/79/32/130797932.db2.gz NUJLQKSFRNCRRM-HZMBPMFUSA-N 1 0 292.360 3.041 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109544476 392365474 /nfs/dbraw/zinc/36/54/74/392365474.db2.gz KSQKHNKFKQNNLR-UKRRQHHQSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1ccnc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000286105686 392377329 /nfs/dbraw/zinc/37/73/29/392377329.db2.gz NJQJNTBCPBXFOD-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509297137 392743596 /nfs/dbraw/zinc/74/35/96/392743596.db2.gz VNDAGRYDEDUXIX-SNVBAGLBSA-N 1 0 284.306 3.495 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180246961 392707704 /nfs/dbraw/zinc/70/77/04/392707704.db2.gz KIXXWOKDQBOKNQ-ZJUUUORDSA-N 1 0 274.324 3.038 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000510662921 392808417 /nfs/dbraw/zinc/80/84/17/392808417.db2.gz INNNRLLINUOHBX-CABCVRRESA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@H]1CC[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026404 392819469 /nfs/dbraw/zinc/81/94/69/392819469.db2.gz CDHQHVUYGATGJT-LRDDRELGSA-N 1 0 290.363 3.127 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSCC[C@@H]1C ZINC000191820314 392834902 /nfs/dbraw/zinc/83/49/02/392834902.db2.gz WCPCOGXMYUWYJT-LBPRGKRZSA-N 1 0 280.393 3.231 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000341102746 392983040 /nfs/dbraw/zinc/98/30/40/392983040.db2.gz NDPFPFAXAFHQIC-BETUJISGSA-N 1 0 277.368 3.270 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910186 393067206 /nfs/dbraw/zinc/06/72/06/393067206.db2.gz DMEQMUUCCULYCT-JSGCOSHPSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000468114804 393125145 /nfs/dbraw/zinc/12/51/45/393125145.db2.gz GVWOAIUOJIDEEA-HNNXBMFYSA-N 1 0 262.353 3.259 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1C ZINC000470174912 393228964 /nfs/dbraw/zinc/22/89/64/393228964.db2.gz NVSJNCAXAIVNEY-KIWPFMIBSA-N 1 0 260.337 3.482 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCSC1 ZINC000470180399 393231902 /nfs/dbraw/zinc/23/19/02/393231902.db2.gz MPKUYIAAZINNQJ-INDWDQIESA-N 1 0 292.404 3.435 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C)C1 ZINC000470176066 393232059 /nfs/dbraw/zinc/23/20/59/393232059.db2.gz HYYKZRYTLOTGQX-FMNNIJNLSA-N 1 0 260.337 3.340 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426219050 393447655 /nfs/dbraw/zinc/44/76/55/393447655.db2.gz VLPIDEREAVDBKO-DAXOMENPSA-N 1 0 292.379 3.200 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592241 393489976 /nfs/dbraw/zinc/48/99/76/393489976.db2.gz SIJNFNWTQXSMJT-IUODEOHRSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601838 393492435 /nfs/dbraw/zinc/49/24/35/393492435.db2.gz WPVZOWITXUMMFY-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)CC1(C)C ZINC000430243555 393547780 /nfs/dbraw/zinc/54/77/80/393547780.db2.gz UWMPZTKNILNJKX-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000432797295 393641172 /nfs/dbraw/zinc/64/11/72/393641172.db2.gz DJHWUMMJJYBFCI-SNVBAGLBSA-N 1 0 266.366 3.421 20 5 CGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000433023517 393670392 /nfs/dbraw/zinc/67/03/92/393670392.db2.gz QRQJLNBQRYDULL-LBPRGKRZSA-N 1 0 260.337 3.359 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000443853269 393774416 /nfs/dbraw/zinc/77/44/16/393774416.db2.gz MENLRIVPMFCQCB-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO CC(C)C[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000500457969 393829144 /nfs/dbraw/zinc/82/91/44/393829144.db2.gz PDHHDXZHMXNULF-CQSZACIVSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C23CCC(CC2)CC3)c1 ZINC000449540899 393890171 /nfs/dbraw/zinc/89/01/71/393890171.db2.gz ZDDVYJMMLMIVSG-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000449635781 393930929 /nfs/dbraw/zinc/93/09/29/393930929.db2.gz CFGPZQIASBKXNP-PPAJKHQYSA-N 1 0 292.379 3.137 20 5 CGBDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451533328 394045767 /nfs/dbraw/zinc/04/57/67/394045767.db2.gz WIYBPUNLUQQWSK-DVOMOZLQSA-N 1 0 292.379 3.403 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000070357877 165058870 /nfs/dbraw/zinc/05/88/70/165058870.db2.gz QFUIHNPVNXLRJY-DUVNUKRYSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1cccnc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071339550 165070093 /nfs/dbraw/zinc/07/00/93/165070093.db2.gz LJPSKZSHRNPMAU-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CC(C)[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076063845 165110531 /nfs/dbraw/zinc/11/05/31/165110531.db2.gz URRXXCYRHXZEBO-AWEZNQCLSA-N 1 0 280.393 3.168 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000085635660 165183382 /nfs/dbraw/zinc/18/33/82/165183382.db2.gz XHHBNFSHZJVWMJ-HPEDKQMDSA-N 1 0 290.363 3.059 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000090587902 287102914 /nfs/dbraw/zinc/10/29/14/287102914.db2.gz DCLURZKPPLPVFP-QWHCGFSZSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090587473 287103046 /nfs/dbraw/zinc/10/30/46/287103046.db2.gz WKKBMIPUSDBZCO-TZMCWYRMSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000089541678 165210048 /nfs/dbraw/zinc/21/00/48/165210048.db2.gz VXWUOGQFMHKUMS-NSHDSACASA-N 1 0 280.393 3.449 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000091796376 165274828 /nfs/dbraw/zinc/27/48/28/165274828.db2.gz GURRUMVCONXUOL-LLVKDONJSA-N 1 0 296.367 3.090 20 5 CGBDRO CC[C@H](C)C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000093080027 287114827 /nfs/dbraw/zinc/11/48/27/287114827.db2.gz WIRZZOSNHRPFNC-NSHDSACASA-N 1 0 250.342 3.466 20 5 CGBDRO CC(C)[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020189493 171055783 /nfs/dbraw/zinc/05/57/83/171055783.db2.gz NCROGXDZQJGEFU-CYBMUJFWSA-N 1 0 291.395 3.118 20 5 CGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000020563098 171252639 /nfs/dbraw/zinc/25/26/39/171252639.db2.gz UYADDRRSOIIMNL-NSHDSACASA-N 1 0 283.759 3.144 20 5 CGBDRO C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000125898864 287252698 /nfs/dbraw/zinc/25/26/98/287252698.db2.gz SQVILJVQDXSYPI-AWEZNQCLSA-N 1 0 299.374 3.382 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285070784 196189923 /nfs/dbraw/zinc/18/99/23/196189923.db2.gz JGKLYLGOOVMUQF-VHSXEESVSA-N 1 0 299.321 3.263 20 5 CGBDRO CSCCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285225293 196226379 /nfs/dbraw/zinc/22/63/79/196226379.db2.gz PAQMGEUZOYKOTF-LLVKDONJSA-N 1 0 297.424 3.361 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)cc2)cc1 ZINC000035677610 172348646 /nfs/dbraw/zinc/34/86/46/172348646.db2.gz OONGNFOQBZCJDH-UHFFFAOYSA-N 1 0 274.295 3.066 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000127416168 287287635 /nfs/dbraw/zinc/28/76/35/287287635.db2.gz HHEPNKNOVOZLAU-LLVKDONJSA-N 1 0 291.376 3.162 20 5 CGBDRO Cc1cc(NCC[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000040444260 174263935 /nfs/dbraw/zinc/26/39/35/174263935.db2.gz MPAQGKLJFYBBCY-UHFFFAOYSA-N 1 0 277.368 3.191 20 5 CGBDRO CC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000040492828 174293024 /nfs/dbraw/zinc/29/30/24/174293024.db2.gz KQDXSDAAVVNIKP-UHFFFAOYSA-N 1 0 256.733 3.384 20 5 CGBDRO Cc1ccsc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675868 174373532 /nfs/dbraw/zinc/37/35/32/174373532.db2.gz DZQSIMGWFGCMDZ-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071207425 176080733 /nfs/dbraw/zinc/08/07/33/176080733.db2.gz NSQDIZQALZOHOA-CABZTGNLSA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@@H](NCC[N@H+](C)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000071376848 176142004 /nfs/dbraw/zinc/14/20/04/176142004.db2.gz WFAXDLYINVXPLB-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO COc1ccc(C[N@H+](C(C)C)C2CCC2)cc1[N+](=O)[O-] ZINC000077357903 177257033 /nfs/dbraw/zinc/25/70/33/177257033.db2.gz JOYZVVGEJVZTDD-UHFFFAOYSA-N 1 0 278.352 3.366 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)CCCOC1 ZINC000357867647 533681161 /nfs/dbraw/zinc/68/11/61/533681161.db2.gz KWXVLHUOSDPFQD-BBRMVZONSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000525120857 270117082 /nfs/dbraw/zinc/11/70/82/270117082.db2.gz ARIYQEPNDLWBJD-OLZOCXBDSA-N 1 0 262.353 3.258 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530460319 270200465 /nfs/dbraw/zinc/20/04/65/270200465.db2.gz KUSHENAWYDIUBH-OUCADQQQSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[N@@H+](C)C(C)C ZINC000531944886 270211118 /nfs/dbraw/zinc/21/11/18/270211118.db2.gz AMMFJKTZRGXJCD-AWEZNQCLSA-N 1 0 293.411 3.284 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531973584 270211996 /nfs/dbraw/zinc/21/19/96/270211996.db2.gz DUVWBOXLBHCSQO-WOSRLPQWSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@@H](O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163666 273723408 /nfs/dbraw/zinc/72/34/08/273723408.db2.gz UGBZOOHSSUPLKV-IUODEOHRSA-N 1 0 292.379 3.068 20 5 CGBDRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000143809878 274264195 /nfs/dbraw/zinc/26/41/95/274264195.db2.gz GITHPQACKTVJDJ-IUODEOHRSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H]1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)O1 ZINC000338481561 274282665 /nfs/dbraw/zinc/28/26/65/274282665.db2.gz ZCGCXDVNSWXXCD-CHWSQXEVSA-N 1 0 292.379 3.278 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1ccco1)CCC2 ZINC000192593295 275038429 /nfs/dbraw/zinc/03/84/29/275038429.db2.gz MCSGRGFATWIFHR-OAHLLOKOSA-N 1 0 272.304 3.355 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000290499345 275861779 /nfs/dbraw/zinc/86/17/79/275861779.db2.gz YCRDFVWGKZTYDX-IAQYHMDHSA-N 1 0 290.363 3.086 20 5 CGBDRO CCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000048770421 276018619 /nfs/dbraw/zinc/01/86/19/276018619.db2.gz MVNHOQQHHGDVLR-OCCSQVGLSA-N 1 0 262.353 3.306 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000451548540 277293316 /nfs/dbraw/zinc/29/33/16/277293316.db2.gz RXFVISOBKYTHLW-TYNCELHUSA-N 1 0 278.352 3.013 20 5 CGBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205351 277358919 /nfs/dbraw/zinc/35/89/19/277358919.db2.gz BFFROLLILWVQLU-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000397996310 288037106 /nfs/dbraw/zinc/03/71/06/288037106.db2.gz QLPAMVYBPXDYHH-PSASIEDQSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CC=CCC1 ZINC000398215133 288040862 /nfs/dbraw/zinc/04/08/62/288040862.db2.gz APECUSJXBOEDDW-LBPRGKRZSA-N 1 0 252.339 3.245 20 5 CGBDRO COc1ccc(C[NH2+][C@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000398350755 288043070 /nfs/dbraw/zinc/04/30/70/288043070.db2.gz XGRMGSYWFSMVHG-OAHLLOKOSA-N 1 0 276.336 3.192 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562050 288052545 /nfs/dbraw/zinc/05/25/45/288052545.db2.gz LWNDTSBUTZOTRE-JQWIXIFHSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205266 288072867 /nfs/dbraw/zinc/07/28/67/288072867.db2.gz NTUGZXYYKARPTR-YPMHNXCESA-N 1 0 282.409 3.257 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000153796588 288087760 /nfs/dbraw/zinc/08/77/60/288087760.db2.gz ADJXVHYGPFWCKB-KBMXLJTQSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000360931832 279372775 /nfs/dbraw/zinc/37/27/75/279372775.db2.gz AKDYKWFEVCDWPF-LALPHHSUSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000314401696 279484921 /nfs/dbraw/zinc/48/49/21/279484921.db2.gz FBDHXAVXPCIPJT-IHRRRGAJSA-N 1 0 292.379 3.044 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000354018938 280963016 /nfs/dbraw/zinc/96/30/16/280963016.db2.gz SZIRDLRYFZSZOA-DDTOSNHZSA-N 1 0 280.393 3.387 20 5 CGBDRO Cc1cccc2c1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000429576105 281274844 /nfs/dbraw/zinc/27/48/44/281274844.db2.gz BIJXPWFHFAVYAA-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO COC(C)(C)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000532644668 288367762 /nfs/dbraw/zinc/36/77/62/288367762.db2.gz TWUSIPZCNYDVJT-NSHDSACASA-N 1 0 266.341 3.013 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000541795143 288721795 /nfs/dbraw/zinc/72/17/95/288721795.db2.gz XTPZDUARQGYJJP-KCPJHIHWSA-N 1 0 292.379 3.052 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000554346305 289272729 /nfs/dbraw/zinc/27/27/29/289272729.db2.gz ZGTNSESSSUZKNO-VQISRLSMSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000557747838 289456998 /nfs/dbraw/zinc/45/69/98/289456998.db2.gz DHZYLAWBJYMJLR-NSHDSACASA-N 1 0 295.383 3.134 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388226697 327856775 /nfs/dbraw/zinc/85/67/75/327856775.db2.gz KORCANZNNBXYFD-PGUXBMHVSA-N 1 0 278.352 3.059 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000388733405 328084160 /nfs/dbraw/zinc/08/41/60/328084160.db2.gz IPFSDEANMFAEMN-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000565807754 322091975 /nfs/dbraw/zinc/09/19/75/322091975.db2.gz ZHFJFGDQZNVNHQ-OAHLLOKOSA-N 1 0 290.363 3.224 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2ccc([N+](=O)[O-])cn2)C1 ZINC000569471499 322248479 /nfs/dbraw/zinc/24/84/79/322248479.db2.gz KSAFDHSQZVZLQR-VXGBXAGGSA-N 1 0 295.408 3.060 20 5 CGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000569908174 322260322 /nfs/dbraw/zinc/26/03/22/322260322.db2.gz IQYVBBXSWNDGEW-RRFJBIMHSA-N 1 0 290.363 3.084 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000573169490 322373764 /nfs/dbraw/zinc/37/37/64/322373764.db2.gz HEHVPYXLILACPJ-CYBMUJFWSA-N 1 0 280.368 3.484 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000177548268 335374349 /nfs/dbraw/zinc/37/43/49/335374349.db2.gz PDXRVSAPUWEUQQ-ZIAGYGMSSA-N 1 0 260.337 3.217 20 5 CGBDRO CS[C@H]1CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000425349770 534112940 /nfs/dbraw/zinc/11/29/40/534112940.db2.gz LEECNSIGSQYMGA-GJZGRUSLSA-N 1 0 294.420 3.401 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000358351069 534348230 /nfs/dbraw/zinc/34/82/30/534348230.db2.gz HPCRGUDEQAVLIB-XZJROXQQSA-N 1 0 290.363 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000356787884 534348596 /nfs/dbraw/zinc/34/85/96/534348596.db2.gz VJQIHPQGIMZSBC-MELADBBJSA-N 1 0 292.379 3.369 20 5 CGBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249749 521752035 /nfs/dbraw/zinc/75/20/35/521752035.db2.gz HAJUOXPINIGOKJ-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163847138 521906269 /nfs/dbraw/zinc/90/62/69/521906269.db2.gz DTVCTBBZILDPNL-RCBQFDQVSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177766 527866335 /nfs/dbraw/zinc/86/63/35/527866335.db2.gz TVHXTNPRHYFJSB-YRGRVCCFSA-N 1 0 262.353 3.304 20 5 CGBDRO CC(C)SCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449318185 528320867 /nfs/dbraw/zinc/32/08/67/528320867.db2.gz FQNJFEOGCCGKBS-GFCCVEGCSA-N 1 0 282.409 3.257 20 5 CGBDRO CCCC[N@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441242909 528392752 /nfs/dbraw/zinc/39/27/52/528392752.db2.gz HDMWZUCYWSHKFC-UHFFFAOYSA-N 1 0 296.367 3.104 20 5 CGBDRO CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430218280 528394414 /nfs/dbraw/zinc/39/44/14/528394414.db2.gz MQFKUJBRVGJOJE-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000424350510 528596796 /nfs/dbraw/zinc/59/67/96/528596796.db2.gz MTWZCRYYHUWTIF-RUZUBIRVSA-N 1 0 290.363 3.443 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000412996146 529005278 /nfs/dbraw/zinc/00/52/78/529005278.db2.gz DQDJDCBELXBEHN-CYBMUJFWSA-N 1 0 295.408 3.345 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000743654041 572676173 /nfs/dbraw/zinc/67/61/73/572676173.db2.gz VSLUSIOGOUHNSV-JTQLQIEISA-N 1 0 289.162 3.187 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894974196 619689469 /nfs/dbraw/zinc/68/94/69/619689469.db2.gz DJBHXDGCJHWCAP-OLZOCXBDSA-N 1 0 298.770 3.295 20 5 CGBDRO CN(CCC[NH+]1CCCC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804683437 617795238 /nfs/dbraw/zinc/79/52/38/617795238.db2.gz LFGXOHURIILXQC-UHFFFAOYSA-N 1 0 297.786 3.170 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000311149978 618893576 /nfs/dbraw/zinc/89/35/76/618893576.db2.gz INYIXVUDZYOGRV-UFBFGSQYSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000311149966 618893595 /nfs/dbraw/zinc/89/35/95/618893595.db2.gz INYIXVUDZYOGRV-PELKAZGASA-N 1 0 286.784 3.232 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000312738145 619134310 /nfs/dbraw/zinc/13/43/10/619134310.db2.gz ULJXWDSLZZEXAO-LLVKDONJSA-N 1 0 299.802 3.067 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@H](C)O1 ZINC000840962691 619282090 /nfs/dbraw/zinc/28/20/90/619282090.db2.gz DXWKCIORLIMIQM-SCVCMEIPSA-N 1 0 298.770 3.151 20 5 CGBDRO CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@H](C)C(C)C ZINC000067366741 619674281 /nfs/dbraw/zinc/67/42/81/619674281.db2.gz BGTAGJCTPRJCLR-GFCCVEGCSA-N 1 0 290.367 3.268 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000896510468 620015567 /nfs/dbraw/zinc/01/55/67/620015567.db2.gz QASVLAQXWRTTIC-VDDIYKPWSA-N 1 0 270.279 3.289 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897460120 620340097 /nfs/dbraw/zinc/34/00/97/620340097.db2.gz QFIFQWJFGDRXEV-DOMZBBRYSA-N 1 0 297.358 3.370 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463218 620340122 /nfs/dbraw/zinc/34/01/22/620340122.db2.gz CGSOQFFVOBJOHR-STQMWFEESA-N 1 0 280.368 3.101 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897463469 620340492 /nfs/dbraw/zinc/34/04/92/620340492.db2.gz GLHCSQPKLWNWJX-UGFHNGPFSA-N 1 0 274.364 3.477 20 5 CGBDRO Cc1cnccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465079 620340640 /nfs/dbraw/zinc/34/06/40/620340640.db2.gz SKIFNYJAXJVWFM-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)cccc1[N+](=O)[O-] ZINC000897960629 620456942 /nfs/dbraw/zinc/45/69/42/620456942.db2.gz XKFZAJRAVJYDAR-FPMFFAJLSA-N 1 0 260.337 3.181 20 5 CGBDRO CCNc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000902195986 621191761 /nfs/dbraw/zinc/19/17/61/621191761.db2.gz NXOSSKPLVBTSQZ-UHFFFAOYSA-N 1 0 299.374 3.359 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccco2)cc([N+](=O)[O-])c1 ZINC000903057357 621546219 /nfs/dbraw/zinc/54/62/19/621546219.db2.gz FRFTWXPCOXXRSD-LLVKDONJSA-N 1 0 290.319 3.090 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000903056445 621546229 /nfs/dbraw/zinc/54/62/29/621546229.db2.gz VDKYYFMVAVCIQB-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCSC(C)C)cc([N+](=O)[O-])c1 ZINC000903172516 621612345 /nfs/dbraw/zinc/61/23/45/621612345.db2.gz ZOQNIRNJSIBGFJ-NSHDSACASA-N 1 0 298.408 3.396 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287434 621670681 /nfs/dbraw/zinc/67/06/81/621670681.db2.gz PCIXSYFLRKAETI-INWMFGNUSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000903315787 621687083 /nfs/dbraw/zinc/68/70/83/621687083.db2.gz HLBHFTAORFTRIJ-QMGNLALYSA-N 1 0 260.337 3.434 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000227828514 623031699 /nfs/dbraw/zinc/03/16/99/623031699.db2.gz CKDFYDOSSRSKDR-CHWSQXEVSA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173812249 623342933 /nfs/dbraw/zinc/34/29/33/623342933.db2.gz IYTVHYPNUMZHBU-RISCZKNCSA-N 1 0 278.327 3.498 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173812263 623343674 /nfs/dbraw/zinc/34/36/74/623343674.db2.gz IYTVHYPNUMZHBU-FZMZJTMJSA-N 1 0 278.327 3.498 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000233845793 624649113 /nfs/dbraw/zinc/64/91/13/624649113.db2.gz DGGZRMDCPWWLFC-TZMCWYRMSA-N 1 0 298.383 3.498 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC2(CCC2)O1 ZINC000922805631 626047679 /nfs/dbraw/zinc/04/76/79/626047679.db2.gz PCZNZRWZEYWHPJ-AWEZNQCLSA-N 1 0 290.363 3.176 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCS[C@H](C)C2)cc1[N+](=O)[O-] ZINC000922842859 626056352 /nfs/dbraw/zinc/05/63/52/626056352.db2.gz NPLLBDIHZDKSJP-DGCLKSJQSA-N 1 0 280.393 3.277 20 5 CGBDRO CSC(C)(C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000156678945 626066407 /nfs/dbraw/zinc/06/64/07/626066407.db2.gz JQUYJLAMACHWAP-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839141854 626322823 /nfs/dbraw/zinc/32/28/23/626322823.db2.gz CDBDEHNKCLPCRB-UHOFOFEASA-N 1 0 292.379 3.187 20 5 CGBDRO C[NH+](C)CC(C)(C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124743690 634495862 /nfs/dbraw/zinc/49/58/62/634495862.db2.gz IDKNSWXGEHLOFC-UHFFFAOYSA-N 1 0 285.775 3.248 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@@H](C)C(C)C)c2cc([N+](=O)[O-])ccc12 ZINC000761288935 627030501 /nfs/dbraw/zinc/03/05/01/627030501.db2.gz ZEIUCWDQMKYRRO-LBPRGKRZSA-N 1 0 290.367 3.187 20 5 CGBDRO Cc1nn(C[N@@H+](C)C2CCCC2)c2ccc([N+](=O)[O-])cc12 ZINC000764865715 627230650 /nfs/dbraw/zinc/23/06/50/627230650.db2.gz QSFJDHRBBOLUQG-UHFFFAOYSA-N 1 0 288.351 3.085 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125025 627804124 /nfs/dbraw/zinc/80/41/24/627804124.db2.gz MLHUOUJJTCQBKN-WFASDCNBSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000773125223 627859760 /nfs/dbraw/zinc/85/97/60/627859760.db2.gz YPJQGRUBTZGAEN-QWRGUYRKSA-N 1 0 259.309 3.335 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589703 628221715 /nfs/dbraw/zinc/22/17/15/628221715.db2.gz VMDPOHNCUUOFFG-HZPDHXFCSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000783310574 628702518 /nfs/dbraw/zinc/70/25/18/628702518.db2.gz POQSIFYWJIIZQT-GXTWGEPZSA-N 1 0 276.336 3.247 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCSC2)cc1Cl ZINC000783641736 628734893 /nfs/dbraw/zinc/73/48/93/628734893.db2.gz HHXHSCGPHVBPAT-JTQLQIEISA-N 1 0 286.784 3.233 20 5 CGBDRO C[C@@H]([NH2+]CC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788646817 629070566 /nfs/dbraw/zinc/07/05/66/629070566.db2.gz DEHPQORCMFWNMK-SNVBAGLBSA-N 1 0 263.341 3.018 20 5 CGBDRO C[C@H]([NH2+]CC1(C)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670160 629071683 /nfs/dbraw/zinc/07/16/83/629071683.db2.gz SPIJUAUVKASSDH-JTQLQIEISA-N 1 0 263.341 3.018 20 5 CGBDRO CNc1ccc(Nc2cc(Cl)ccc2[N+](=O)[O-])cn1 ZINC000791413799 629274249 /nfs/dbraw/zinc/27/42/49/629274249.db2.gz RHVPHRSQOOLVSC-UHFFFAOYSA-N 1 0 278.699 3.429 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1 ZINC000799193665 630156881 /nfs/dbraw/zinc/15/68/81/630156881.db2.gz MUXSHNOOSVORSL-OAHLLOKOSA-N 1 0 297.358 3.022 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000799352403 630174251 /nfs/dbraw/zinc/17/42/51/630174251.db2.gz SGOOLEIXZDWCKO-JSGCOSHPSA-N 1 0 298.770 3.295 20 5 CGBDRO C[NH+](C)C[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804400633 630525608 /nfs/dbraw/zinc/52/56/08/630525608.db2.gz XSJLQWLTBVQEHO-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808776659 630677420 /nfs/dbraw/zinc/67/74/20/630677420.db2.gz LRUWIYNJMVZLFV-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125022 630840059 /nfs/dbraw/zinc/84/00/59/630840059.db2.gz MLHUOUJJTCQBKN-DOMZBBRYSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815607816 631805602 /nfs/dbraw/zinc/80/56/02/631805602.db2.gz JIUZTVOGUBRAJQ-PSASIEDQSA-N 1 0 285.294 3.015 20 5 CGBDRO [NH3+]CCCCCCCOc1ccc([N+](=O)[O-])c(F)c1F ZINC000818618068 632342462 /nfs/dbraw/zinc/34/24/62/632342462.db2.gz KCLUURWMILSIPH-UHFFFAOYSA-N 1 0 288.294 3.161 20 5 CGBDRO CC(C)(C)CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018286 632365287 /nfs/dbraw/zinc/36/52/87/632365287.db2.gz SKINQJGANZOOOH-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819096019 632378585 /nfs/dbraw/zinc/37/85/85/632378585.db2.gz WTESZQWDQWFFCQ-IVMMDQJWSA-N 1 0 292.379 3.187 20 5 CGBDRO CO[C@@H]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391714 632763039 /nfs/dbraw/zinc/76/30/39/632763039.db2.gz PQGVPODLXPSETE-DGCLKSJQSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000866288889 633066522 /nfs/dbraw/zinc/06/65/22/633066522.db2.gz AGHOAAAWDUXYFH-ZDUSSCGKSA-N 1 0 285.347 3.101 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCSCC1 ZINC000866293051 633068570 /nfs/dbraw/zinc/06/85/70/633068570.db2.gz BJHMRGIIIQLTOI-JTQLQIEISA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCOC(C)(C)C ZINC000866318353 633080461 /nfs/dbraw/zinc/08/04/61/633080461.db2.gz WMFWVFZZHQZVCW-NSHDSACASA-N 1 0 298.358 3.070 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccnc(F)c2)cccc1[N+](=O)[O-] ZINC000866472451 633148197 /nfs/dbraw/zinc/14/81/97/633148197.db2.gz AEQIGYDCWHNUKK-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1=CCCOC1 ZINC000827190531 633469265 /nfs/dbraw/zinc/46/92/65/633469265.db2.gz WIUCULJRZUBSGF-UHFFFAOYSA-N 1 0 296.754 3.027 20 5 CGBDRO COC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016509 633936715 /nfs/dbraw/zinc/93/67/15/633936715.db2.gz KKVQBTRTHLHWKZ-NXEZZACHSA-N 1 0 284.381 3.002 20 5 CGBDRO CC[C@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040237 633962285 /nfs/dbraw/zinc/96/22/85/633962285.db2.gz YRAWPXZEADASRL-WDEREUQCSA-N 1 0 298.408 3.392 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCCO ZINC000872041825 633964030 /nfs/dbraw/zinc/96/40/30/633964030.db2.gz LBKPMFTZRBBUGE-QWRGUYRKSA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000872053885 633976943 /nfs/dbraw/zinc/97/69/43/633976943.db2.gz NOAAHDMHBLKGND-GUTXKFCHSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061574 633983906 /nfs/dbraw/zinc/98/39/06/633983906.db2.gz ZDKOCRWXKGQQAE-VXGBXAGGSA-N 1 0 296.342 3.344 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000872072889 633994935 /nfs/dbraw/zinc/99/49/35/633994935.db2.gz LAYFCFBJRLYQRH-NOLJZWGESA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872080152 634003794 /nfs/dbraw/zinc/00/37/94/634003794.db2.gz SYXNZQHIFFIYDW-UTUOFQBUSA-N 1 0 296.342 3.341 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000873095415 634245262 /nfs/dbraw/zinc/24/52/62/634245262.db2.gz LSUHBZYRJNOPHJ-ZDUSSCGKSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CC1(F)F ZINC000873139479 634257089 /nfs/dbraw/zinc/25/70/89/634257089.db2.gz BSBAOQAGLIITTM-LLVKDONJSA-N 1 0 284.306 3.347 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873149413 634258352 /nfs/dbraw/zinc/25/83/52/634258352.db2.gz ONFWWTFZNLFXHA-HAQNSBGRSA-N 1 0 280.393 3.195 20 5 CGBDRO CC[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873183621 634273926 /nfs/dbraw/zinc/27/39/26/634273926.db2.gz WZHGRKLWZVEMGQ-IHRRRGAJSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876917642 634928216 /nfs/dbraw/zinc/92/82/16/634928216.db2.gz FZMAZFHEDUSJAF-CLTVBZQCSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@H](CCC(C)(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877052498 634964666 /nfs/dbraw/zinc/96/46/66/634964666.db2.gz YDWDYEVIWQEGMU-PNESKVBLSA-N 1 0 294.399 3.299 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1C=CCC1 ZINC000877623892 635117769 /nfs/dbraw/zinc/11/77/69/635117769.db2.gz CXDPPBZWRHZHTJ-NSHDSACASA-N 1 0 286.253 3.422 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C1CSC1 ZINC000877634256 635123669 /nfs/dbraw/zinc/12/36/69/635123669.db2.gz GGYGYZTUZSYVMT-FZMZJTMJSA-N 1 0 292.404 3.011 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000126724732 635223416 /nfs/dbraw/zinc/22/34/16/635223416.db2.gz JSJATUJRKQIKQR-HZMBPMFUSA-N 1 0 292.360 3.041 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000842168016 635302527 /nfs/dbraw/zinc/30/25/27/635302527.db2.gz ZKSXMGYBZAHIRA-VWYCJHECSA-N 1 0 266.316 3.210 20 5 CGBDRO CCC[NH2+][C@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843239147 635625497 /nfs/dbraw/zinc/62/54/97/635625497.db2.gz FBWCBCBTIIGWDB-SNVBAGLBSA-N 1 0 290.323 3.014 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846073437 636141262 /nfs/dbraw/zinc/14/12/62/636141262.db2.gz NSOSSNSPZMLDHF-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000846961191 636296043 /nfs/dbraw/zinc/29/60/43/636296043.db2.gz NVOXIBMGTPLEIA-GFCCVEGCSA-N 1 0 252.289 3.012 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530267 636591187 /nfs/dbraw/zinc/59/11/87/636591187.db2.gz XTYJXSKGRXZGTO-GYSYKLTISA-N 1 0 292.404 3.456 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1CCC1 ZINC000848535278 636593980 /nfs/dbraw/zinc/59/39/80/636593980.db2.gz YGNFYIHMHYTBSX-CQSZACIVSA-N 1 0 260.337 3.362 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C=CCC1 ZINC000883245433 636613771 /nfs/dbraw/zinc/61/37/71/636613771.db2.gz LKJVZKBBLSOJTD-NWDGAFQWSA-N 1 0 278.327 3.221 20 5 CGBDRO CCCn1nccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850312690 637015843 /nfs/dbraw/zinc/01/58/43/637015843.db2.gz YEZFVUUPUAQFCP-LBPRGKRZSA-N 1 0 288.351 3.052 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C)C1 ZINC000850462077 637075668 /nfs/dbraw/zinc/07/56/68/637075668.db2.gz MMAJYZDWDCFESR-WOPDTQHZSA-N 1 0 278.352 3.443 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850507242 637094179 /nfs/dbraw/zinc/09/41/79/637094179.db2.gz DTXBBADXDUCIIJ-YPMHNXCESA-N 1 0 276.336 3.363 20 5 CGBDRO C[C@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850556487 637121629 /nfs/dbraw/zinc/12/16/29/637121629.db2.gz QWZTZIGKSAVEJK-XPTSAGLGSA-N 1 0 263.341 3.016 20 5 CGBDRO CC(C)[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886015033 637364869 /nfs/dbraw/zinc/36/48/69/637364869.db2.gz UUYNEBFTEZMXOD-ZDUSSCGKSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC000886114168 637420596 /nfs/dbraw/zinc/42/05/96/637420596.db2.gz IRZLKHXWTJKZLL-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140965 637433358 /nfs/dbraw/zinc/43/33/58/637433358.db2.gz SZCAYVATUDKECL-AAEUAGOBSA-N 1 0 263.341 3.048 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000886220290 637463388 /nfs/dbraw/zinc/46/33/88/637463388.db2.gz FYZTVZCVGQXCEA-XZJROXQQSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886285189 637484517 /nfs/dbraw/zinc/48/45/17/637484517.db2.gz ASZFTLGMGCZZCL-WCQYABFASA-N 1 0 263.341 3.143 20 5 CGBDRO CC(C)=CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000851869536 637526870 /nfs/dbraw/zinc/52/68/70/637526870.db2.gz KFEJINOZECBIIK-UHFFFAOYSA-N 1 0 260.337 3.309 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000886616080 637609657 /nfs/dbraw/zinc/60/96/57/637609657.db2.gz UVFQNKFJXZIYSC-NHYWBVRUSA-N 1 0 283.331 3.328 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886701448 637663432 /nfs/dbraw/zinc/66/34/32/637663432.db2.gz PUZHLUWZAHRMSQ-DOMZBBRYSA-N 1 0 290.363 3.205 20 5 CGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000926268840 638757275 /nfs/dbraw/zinc/75/72/75/638757275.db2.gz IUJVPPXKKGJBQC-HOCLYGCPSA-N 1 0 294.395 3.323 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926952069 638829024 /nfs/dbraw/zinc/82/90/24/638829024.db2.gz KTJHCTACLLSTLY-PTOFAABTSA-N 1 0 288.269 3.444 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000926952070 638829040 /nfs/dbraw/zinc/82/90/40/638829040.db2.gz KTJHCTACLLSTLY-UBHAPETDSA-N 1 0 288.269 3.444 20 5 CGBDRO CC(C)(C)OC[C@@H]1CCCN1Cc1csc([N+](=O)[O-])c1 ZINC000932170796 639285009 /nfs/dbraw/zinc/28/50/09/639285009.db2.gz BONOPFAYWWSRHA-LBPRGKRZSA-N 1 0 298.408 3.436 20 5 CGBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000092332255 640734826 /nfs/dbraw/zinc/73/48/26/640734826.db2.gz CLLKWFAQJGUQAA-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774919 640802003 /nfs/dbraw/zinc/80/20/03/640802003.db2.gz UZHFGMZDWGVVFO-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773082 640802892 /nfs/dbraw/zinc/80/28/92/640802892.db2.gz BJDPJOAFEPCLFW-GWCFXTLKSA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@H]2[NH+](C)C)c1 ZINC001252823213 806126011 /nfs/dbraw/zinc/12/60/11/806126011.db2.gz XCKODXXHYHBSQV-GXTWGEPZSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc(Nc2cccc3c2C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001159766854 806168052 /nfs/dbraw/zinc/16/80/52/806168052.db2.gz YPLLAKSRCSOXQC-UHFFFAOYSA-N 1 0 269.304 3.250 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)c1 ZINC001159922617 806201028 /nfs/dbraw/zinc/20/10/28/806201028.db2.gz LJSPVJMQBLAFJI-INIZCTEOSA-N 1 0 299.330 3.079 20 5 CGBDRO Cc1ccnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254533862 806444819 /nfs/dbraw/zinc/44/48/19/806444819.db2.gz PTVDGBSZFIYWJV-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(F)(F)C1 ZINC001254533298 806445248 /nfs/dbraw/zinc/44/52/48/806445248.db2.gz ZXZNZCBXQSFLMO-JQWIXIFHSA-N 1 0 284.306 3.303 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH3+])c1 ZINC001254537285 806446072 /nfs/dbraw/zinc/44/60/72/806446072.db2.gz ZCNKPNFLVCPJPP-GFCCVEGCSA-N 1 0 285.347 3.097 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1nccs1 ZINC001254538097 806446219 /nfs/dbraw/zinc/44/62/19/806446219.db2.gz OSYGNXAVWRSQHO-GHMZBOCLSA-N 1 0 291.376 3.333 20 5 CGBDRO CC[N@H+](Cc1ccncc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254551094 806447892 /nfs/dbraw/zinc/44/78/92/806447892.db2.gz XSTOHFOBJDFFPL-CQSZACIVSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CCC1 ZINC001254549048 806447958 /nfs/dbraw/zinc/44/79/58/806447958.db2.gz QTXXZJLPOMDCIU-RYUDHWBXSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC12CC2 ZINC001254550759 806448433 /nfs/dbraw/zinc/44/84/33/806448433.db2.gz QKVLCMVJOHGHQN-LBPRGKRZSA-N 1 0 260.337 3.154 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558551 806449054 /nfs/dbraw/zinc/44/90/54/806449054.db2.gz CKMNGXPMDJEFNW-UKRRQHHQSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C2CCC1CC2 ZINC001254558520 806449482 /nfs/dbraw/zinc/44/94/82/806449482.db2.gz CEGQDNNKVWYVPI-LMWSTFAQSA-N 1 0 260.337 3.153 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCC2)C1 ZINC001254559512 806449731 /nfs/dbraw/zinc/44/97/31/806449731.db2.gz KMPJYTJDOWYJFW-ZDUSSCGKSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001254559573 806449960 /nfs/dbraw/zinc/44/99/60/806449960.db2.gz LAMYMXXHGIXUHI-SGMGOOAPSA-N 1 0 260.337 3.010 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558550 806449990 /nfs/dbraw/zinc/44/99/90/806449990.db2.gz CKMNGXPMDJEFNW-HIFRSBDPSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCC1 ZINC001254562850 806451706 /nfs/dbraw/zinc/45/17/06/806451706.db2.gz PRVGYKNRSFXWRC-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254567426 806453072 /nfs/dbraw/zinc/45/30/72/806453072.db2.gz NUCLYOVTTWVQKE-MRXNPFEDSA-N 1 0 282.343 3.160 20 5 CGBDRO Cc1ccc(C)c(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572647 806454541 /nfs/dbraw/zinc/45/45/41/806454541.db2.gz RIPYMSCVQXHRHK-KRWDZBQOSA-N 1 0 296.370 3.469 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCCC13CC3)C2 ZINC001254602589 806458709 /nfs/dbraw/zinc/45/87/09/806458709.db2.gz GUEQMNGDORXROG-OAHLLOKOSA-N 1 0 272.348 3.081 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602774 806459030 /nfs/dbraw/zinc/45/90/30/806459030.db2.gz ISXPTUYIZSPJOG-MLGOLLRUSA-N 1 0 274.364 3.184 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609840 806461174 /nfs/dbraw/zinc/46/11/74/806461174.db2.gz ZCHBZXKZTSDQDT-HZPDHXFCSA-N 1 0 274.364 3.182 20 5 CGBDRO COc1ccc(C[NH2+]CCC2CCCC2)cc1[N+](=O)[O-] ZINC000037741385 798873348 /nfs/dbraw/zinc/87/33/48/798873348.db2.gz FFSFFBZGUNUFGU-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000353629388 799330566 /nfs/dbraw/zinc/33/05/66/799330566.db2.gz FPMDKVQKPOKECS-GWCFXTLKSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1(F)F ZINC000689260520 799762903 /nfs/dbraw/zinc/76/29/03/799762903.db2.gz INSXGWFGFVIVIW-NSHDSACASA-N 1 0 290.697 3.383 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C)SC2)cc1[N+](=O)[O-] ZINC000689563375 799766021 /nfs/dbraw/zinc/76/60/21/799766021.db2.gz VJCCTPKOTFDWCZ-YPMHNXCESA-N 1 0 280.393 3.277 20 5 CGBDRO C[C@@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000692855616 799801704 /nfs/dbraw/zinc/80/17/04/799801704.db2.gz ZXQOLNNEOXUTTG-SECBINFHSA-N 1 0 284.406 3.052 20 5 CGBDRO C[C@@H](CCNc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000697870634 799850186 /nfs/dbraw/zinc/85/01/86/799850186.db2.gz MTQLVWPQLLIZAC-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO C[C@H](F)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000702547034 799911105 /nfs/dbraw/zinc/91/11/05/799911105.db2.gz OWKYXICSULBHFS-QMMMGPOBSA-N 1 0 260.696 3.086 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CC1 ZINC000706921784 799970392 /nfs/dbraw/zinc/97/03/92/799970392.db2.gz GZQLEOHDWDSVJQ-SECBINFHSA-N 1 0 252.289 3.012 20 5 CGBDRO CC[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000712550184 800092887 /nfs/dbraw/zinc/09/28/87/800092887.db2.gz SVLLXQHZWQWRES-JTQLQIEISA-N 1 0 285.294 3.039 20 5 CGBDRO CCc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)[nH]n1 ZINC000765993987 800383416 /nfs/dbraw/zinc/38/34/16/800383416.db2.gz OXJOFHKURNAUSZ-LLVKDONJSA-N 1 0 288.351 3.040 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCCn1cccc1 ZINC001164452593 806949762 /nfs/dbraw/zinc/94/97/62/806949762.db2.gz UMQKTGJHUQALDN-UHFFFAOYSA-N 1 0 272.416 3.197 20 5 CGBDRO CC1(C)CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001167290917 807176719 /nfs/dbraw/zinc/17/67/19/807176719.db2.gz FWVOKOFCJHVQPP-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N(C(N)=[NH2+])c1ccc(F)cc1 ZINC001167992330 807292031 /nfs/dbraw/zinc/29/20/31/807292031.db2.gz OIALXJQZXBPTLM-UHFFFAOYSA-N 1 0 288.282 3.074 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001168309382 807379281 /nfs/dbraw/zinc/37/92/81/807379281.db2.gz LSIYEZVWSOUMAN-ADEWGFFLSA-N 1 0 282.290 3.243 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001168965887 807542512 /nfs/dbraw/zinc/54/25/12/807542512.db2.gz DFNGCJKUCWTXOG-AAEUAGOBSA-N 1 0 290.388 3.436 20 5 CGBDRO CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968527 807543615 /nfs/dbraw/zinc/54/36/15/807543615.db2.gz ZVXUYUGTMCXFMT-CABCVRRESA-N 1 0 292.379 3.009 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168976757 807545294 /nfs/dbraw/zinc/54/52/94/807545294.db2.gz GBXILRIKHFLADC-RULNRJAQSA-N 1 0 284.306 3.061 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983310 807546828 /nfs/dbraw/zinc/54/68/28/807546828.db2.gz JIRZWXWJZYLISW-FZMZJTMJSA-N 1 0 280.343 3.096 20 5 CGBDRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987577 807548034 /nfs/dbraw/zinc/54/80/34/807548034.db2.gz JPJVYRJAOOMWKJ-SNPRPXQTSA-N 1 0 268.401 3.380 20 5 CGBDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC(F)(F)F ZINC001169000723 807549458 /nfs/dbraw/zinc/54/94/58/807549458.db2.gz APGDIHLPBXXFGS-ZJUUUORDSA-N 1 0 282.306 3.000 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)ccn1 ZINC001169006253 807550134 /nfs/dbraw/zinc/55/01/34/807550134.db2.gz WWMVIYQYLQSLCK-CMPLNLGQSA-N 1 0 297.786 3.005 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050633 807560244 /nfs/dbraw/zinc/56/02/44/807560244.db2.gz CBXIBNDHAJOVBP-KBPBESRZSA-N 1 0 266.385 3.088 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC001170322372 807826826 /nfs/dbraw/zinc/82/68/26/807826826.db2.gz FHIZPJHWJIITQD-OCCSQVGLSA-N 1 0 290.363 3.233 20 5 CGBDRO C[NH+]1C(C)(C)CC(Nc2cccnc2[N+](=O)[O-])CC1(C)C ZINC001170450282 807846413 /nfs/dbraw/zinc/84/64/13/807846413.db2.gz HKUGMUCJULJSHO-UHFFFAOYSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@@H]1C[C@H](F)C[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904780 808476204 /nfs/dbraw/zinc/47/62/04/808476204.db2.gz AMEJTSCBLCMJOX-UGFHNGPFSA-N 1 0 292.354 3.275 20 5 CGBDRO CC[N@H+](C1CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909213 808476570 /nfs/dbraw/zinc/47/65/70/808476570.db2.gz QVIUNOUNQURAAQ-CQSZACIVSA-N 1 0 274.364 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@@H]1C1CC1)CC2 ZINC001172907719 808476666 /nfs/dbraw/zinc/47/66/66/808476666.db2.gz HTPMPOVYOUPAQA-OIISXLGYSA-N 1 0 286.375 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC(C(F)F)C1)CC2 ZINC001172913267 808477139 /nfs/dbraw/zinc/47/71/39/808477139.db2.gz QITTVXFIKPSVTM-ZDUSSCGKSA-N 1 0 296.317 3.039 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccn1 ZINC001173210401 808537636 /nfs/dbraw/zinc/53/76/36/808537636.db2.gz KILNSTUOIDHDEL-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC001173211631 808538106 /nfs/dbraw/zinc/53/81/06/808538106.db2.gz UNHLSKNUZBKDNW-RTXFEEFZSA-N 1 0 266.316 3.006 20 5 CGBDRO Cc1cnccc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212288 808538389 /nfs/dbraw/zinc/53/83/89/808538389.db2.gz ZCGFIZPAKOXDKC-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@](C)(F)C1 ZINC001173220642 808539669 /nfs/dbraw/zinc/53/96/69/808539669.db2.gz BOTKHCGLXSNOIM-DOMZBBRYSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC=CCC1 ZINC001173218172 808540036 /nfs/dbraw/zinc/54/00/36/808540036.db2.gz BXKOFIVHZGWLGR-JSGCOSHPSA-N 1 0 260.337 3.224 20 5 CGBDRO Cc1[nH+]c2ccc(F)cn2c1Nc1ccc([N+](=O)[O-])cc1 ZINC001174477867 809033074 /nfs/dbraw/zinc/03/30/74/809033074.db2.gz ZRTHYWCSZYANBW-UHFFFAOYSA-N 1 0 286.266 3.434 20 5 CGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@]12CCC[C@H]1OCC2 ZINC001176990216 809773921 /nfs/dbraw/zinc/77/39/21/809773921.db2.gz FJTFOZSBOKXTIG-TZMCWYRMSA-N 1 0 296.392 3.047 20 5 CGBDRO Cc1ccc(Nc2cc[nH+]c(N(C)C)c2)cc1[N+](=O)[O-] ZINC001213663414 815320500 /nfs/dbraw/zinc/32/05/00/815320500.db2.gz FSDDDBXBIRXFBY-UHFFFAOYSA-N 1 0 272.308 3.108 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(C)sc1[N+](=O)[O-] ZINC001186632818 810353532 /nfs/dbraw/zinc/35/35/32/810353532.db2.gz IFLFZNICLSZHPT-JTQLQIEISA-N 1 0 285.413 3.497 20 5 CGBDRO COC[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC001194683962 811106101 /nfs/dbraw/zinc/10/61/01/811106101.db2.gz SJLXNRBHSNTNOX-CYBMUJFWSA-N 1 0 294.395 3.338 20 5 CGBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC001195298702 811239714 /nfs/dbraw/zinc/23/97/14/811239714.db2.gz HHXDDMGXMHQQPH-GASCZTMLSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1[nH+]c2ccc(F)cn2c1Nc1cccc([N+](=O)[O-])c1 ZINC001204450944 812643818 /nfs/dbraw/zinc/64/38/18/812643818.db2.gz YKGXXWKBZVNGAE-UHFFFAOYSA-N 1 0 286.266 3.434 20 5 CGBDRO C[C@H](OCCC[C@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001217888242 815990223 /nfs/dbraw/zinc/99/02/23/815990223.db2.gz PFLBUJRYHFFXLS-UONOGXRCSA-N 1 0 292.379 3.452 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001217955585 816015966 /nfs/dbraw/zinc/01/59/66/816015966.db2.gz WUEPXHLOAYKLLL-ZKCHVHJHSA-N 1 0 291.134 3.031 20 5 CGBDRO F[C@H]1CC[NH2+]C[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001217962303 816019282 /nfs/dbraw/zinc/01/92/82/816019282.db2.gz YYRVAUAPDSWJOL-HOCLYGCPSA-N 1 0 296.345 3.467 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCCC[NH2+]C1 ZINC001217973008 816025421 /nfs/dbraw/zinc/02/54/21/816025421.db2.gz XDBISJUWOCFJGC-JTQLQIEISA-N 1 0 284.743 3.078 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001217983758 816031981 /nfs/dbraw/zinc/03/19/81/816031981.db2.gz CLBXYCKGQQRPQL-GXSJLCMTSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001217986247 816034188 /nfs/dbraw/zinc/03/41/88/816034188.db2.gz KWZNUXZYRAWJAC-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[NH2+]CC1 ZINC001217996228 816041521 /nfs/dbraw/zinc/04/15/21/816041521.db2.gz XSGSVXCQHYNCDM-SNVBAGLBSA-N 1 0 284.743 3.078 20 5 CGBDRO F[C@H]1C[NH2+]C[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218001274 816044393 /nfs/dbraw/zinc/04/43/93/816044393.db2.gz TTXVMCTXILQJSB-JKSUJKDBSA-N 1 0 282.318 3.077 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C[NH2+]1 ZINC001218036574 816068164 /nfs/dbraw/zinc/06/81/64/816068164.db2.gz CJIXHSVFWAVJIX-RNFRBKRXSA-N 1 0 291.134 3.031 20 5 CGBDRO Cc1cc(O[C@H]2CCC23CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC001218085395 816090099 /nfs/dbraw/zinc/09/00/99/816090099.db2.gz RGGMMRGCIYDCTN-HNNXBMFYSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218095275 816095907 /nfs/dbraw/zinc/09/59/07/816095907.db2.gz OZASMFYAJVSFFY-GDBMZVCRSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC001218102867 816100143 /nfs/dbraw/zinc/10/01/43/816100143.db2.gz HNIYJQGEFGVGIU-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001218187251 816119858 /nfs/dbraw/zinc/11/98/58/816119858.db2.gz LRLDAXHABMRNPH-HOMQSWHASA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c(C)c1[N+](=O)[O-] ZINC001218189077 816121331 /nfs/dbraw/zinc/12/13/31/816121331.db2.gz RSRZCGILYUXBLA-WDNDVIMCSA-N 1 0 290.363 3.182 20 5 CGBDRO C[C@@H](Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C1C[NH2+]C1 ZINC001218193696 816121898 /nfs/dbraw/zinc/12/18/98/816121898.db2.gz JHWZQKKFUVOTQO-GFCCVEGCSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1cc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218247975 816140407 /nfs/dbraw/zinc/14/04/07/816140407.db2.gz FLBGALMHPWAUOA-BFHYXJOUSA-N 1 0 290.363 3.039 20 5 CGBDRO Cc1cc(OC2CC3(C2)CCC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001218255826 816144037 /nfs/dbraw/zinc/14/40/37/816144037.db2.gz NLKYJCTUMCKTPF-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+]CC1(C)C ZINC001218311238 816161424 /nfs/dbraw/zinc/16/14/24/816161424.db2.gz HIGMEXBAPOBLQT-NSHDSACASA-N 1 0 298.770 3.324 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3C=CC[NH2+]C3)cc2)c1 ZINC001218336151 816171290 /nfs/dbraw/zinc/17/12/90/816171290.db2.gz ZGEAMNHWBZKTDX-KRWDZBQOSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218390788 816187718 /nfs/dbraw/zinc/18/77/18/816187718.db2.gz YXZNPDRPZJWOTE-ZBEGNZNMSA-N 1 0 279.339 3.438 20 5 CGBDRO C[C@H]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218393580 816188743 /nfs/dbraw/zinc/18/87/43/816188743.db2.gz OJUPJHFFQKGUCB-WCQYABFASA-N 1 0 292.379 3.412 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001218393195 816189009 /nfs/dbraw/zinc/18/90/09/816189009.db2.gz SWLZHMXIIGMXIL-BZNIZROVSA-N 1 0 284.315 3.001 20 5 CGBDRO Cc1cc(O[C@@H]2C[NH2+]CCC23CC3)c([N+](=O)[O-])cc1Cl ZINC001218403014 816196643 /nfs/dbraw/zinc/19/66/43/816196643.db2.gz HJCRFRNOXWSDTI-CYBMUJFWSA-N 1 0 296.754 3.078 20 5 CGBDRO CC[NH+](CC)C[C@H](C)OCc1cccc([N+](=O)[O-])c1C ZINC001223331179 816607246 /nfs/dbraw/zinc/60/72/46/816607246.db2.gz HAYVUUNWSQRJHD-LBPRGKRZSA-N 1 0 280.368 3.150 20 5 CGBDRO Cc1ccc([C@@H](OCC[N+](C)(C)C)C(F)(F)F)cc1 ZINC001224775825 816879716 /nfs/dbraw/zinc/87/97/16/816879716.db2.gz PVCOGYMYIMPWKD-CYBMUJFWSA-N 1 0 276.322 3.321 20 5 CGBDRO C[N+](C)(C)CCO[C@H]1CCc2c1cccc2Br ZINC001224775694 816879916 /nfs/dbraw/zinc/87/99/16/816879916.db2.gz MVLRNRJIEPQSPG-AWEZNQCLSA-N 1 0 299.232 3.159 20 5 CGBDRO CC[NH+](CC)CCO[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001224928599 816910532 /nfs/dbraw/zinc/91/05/32/816910532.db2.gz USCDKYLJYNGOGE-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225788836 817179397 /nfs/dbraw/zinc/17/93/97/817179397.db2.gz PHOONIQUFNRHIH-NSHDSACASA-N 1 0 298.770 3.500 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226510106 817378730 /nfs/dbraw/zinc/37/87/30/817378730.db2.gz YHKFGPCXTATDDB-GFCCVEGCSA-N 1 0 286.331 3.221 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c2ccccc12 ZINC001226547031 817394454 /nfs/dbraw/zinc/39/44/54/817394454.db2.gz QHQXVCNQEHMPGB-LBPRGKRZSA-N 1 0 262.348 3.452 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C2CCC(=O)CC2)cc1 ZINC001226817466 817474875 /nfs/dbraw/zinc/47/48/75/817474875.db2.gz CBQWAKUQDUANBD-CQSZACIVSA-N 1 0 290.427 3.387 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001226971517 817521353 /nfs/dbraw/zinc/52/13/53/817521353.db2.gz PELOOZLEDDREMN-CYBMUJFWSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(C(C)(C)C)ccc1O ZINC001227429413 817647273 /nfs/dbraw/zinc/64/72/73/817647273.db2.gz ZHFJABVDLDATSU-LBPRGKRZSA-O 1 0 266.405 3.163 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001227999581 817778859 /nfs/dbraw/zinc/77/88/59/817778859.db2.gz AXCGECZNAHDMAD-XYPYZODXSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001228151401 817825270 /nfs/dbraw/zinc/82/52/70/817825270.db2.gz GGVVQKCHNYATRQ-SSDOTTSWSA-N 1 0 293.150 3.231 20 5 CGBDRO CSc1ccc(F)cc1O[C@H](C)C[N+](C)(C)C ZINC001234217583 818803534 /nfs/dbraw/zinc/80/35/34/818803534.db2.gz FRHZJWQWTLYKNV-SNVBAGLBSA-N 1 0 258.382 3.021 20 5 CGBDRO Cc1cc(C(F)(F)F)ccc1O[C@H](C)C[N+](C)(C)C ZINC001234914249 818950362 /nfs/dbraw/zinc/95/03/62/818950362.db2.gz DKZMVSYCMBQHKP-LLVKDONJSA-N 1 0 276.322 3.487 20 5 CGBDRO [NH3+]Cc1cncc(-c2cc3cccnc3c3ncccc23)c1 ZINC001239803510 820618046 /nfs/dbraw/zinc/61/80/46/820618046.db2.gz BUDQJFDXXXJLAX-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000217390992 928155869 /nfs/dbraw/zinc/15/58/69/928155869.db2.gz KWRFKZBMEZZERT-LLVKDONJSA-N 1 0 299.802 3.068 20 5 CGBDRO Cc1cc(C)c(Cl)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229522985 932165995 /nfs/dbraw/zinc/16/59/95/932165995.db2.gz JBDFSXDXVBJFJF-GFCCVEGCSA-N 1 0 256.797 3.430 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C2CCCC2)cc1 ZINC001461265423 937572691 /nfs/dbraw/zinc/57/26/91/937572691.db2.gz ONNHGBFEJWOUPW-UHFFFAOYSA-N 1 0 262.353 3.450 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc(Cl)cnc2c1 ZINC001230581848 932593203 /nfs/dbraw/zinc/59/32/03/932593203.db2.gz DMPLTLNYEIYAMI-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1csc2nccc(O[C@@H](C)C[N+](C)(C)C)c12 ZINC001230658443 932605666 /nfs/dbraw/zinc/60/56/66/932605666.db2.gz ZACLGNPUJBYMHJ-NSHDSACASA-N 1 0 265.402 3.078 20 5 CGBDRO CC(=O)c1cc2c(cc1O[C@H](C)C[N+](C)(C)C)CCCC2 ZINC001230790629 932624567 /nfs/dbraw/zinc/62/45/67/932624567.db2.gz OOVGQAOZUMHYJW-CYBMUJFWSA-N 1 0 290.427 3.242 20 5 CGBDRO CC(C)c1nc(CNc2ncc(Cl)cc2[N+](=O)[O-])c[nH]1 ZINC001307218852 932779670 /nfs/dbraw/zinc/77/96/70/932779670.db2.gz DJAQXRXJPLWPKV-UHFFFAOYSA-N 1 0 295.730 3.102 20 5 CGBDRO Cc1cc(NCC[N@H+]2CCC[C@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001306931462 932897753 /nfs/dbraw/zinc/89/77/53/932897753.db2.gz XDTDXSQKFCKLMO-NSHDSACASA-N 1 0 295.358 3.186 20 5 CGBDRO CC1(C)CC[N@H+](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001307229910 932932615 /nfs/dbraw/zinc/93/26/15/932932615.db2.gz NUMHKUCUBFUKGA-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@@H](Cc1cccs1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001307518817 932964502 /nfs/dbraw/zinc/96/45/02/932964502.db2.gz ILRIZLMUCCDFIT-NSHDSACASA-N 1 0 291.376 3.114 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CCCCO1 ZINC001308711755 933163183 /nfs/dbraw/zinc/16/31/83/933163183.db2.gz HALHHWZISKYCRQ-INIZCTEOSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC001324061842 934454404 /nfs/dbraw/zinc/45/44/04/934454404.db2.gz UBLNIBWZSKKANJ-XJKCOSOUSA-N 1 0 290.363 3.157 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC001473334023 937802128 /nfs/dbraw/zinc/80/21/28/937802128.db2.gz SRMXAAKPZCXLKU-FVQBIDKESA-N 1 0 292.379 3.187 20 5 CGBDRO CCC1(c2ccc(Cl)cc2)CC[NH+](CC[N+](=O)[O-])CC1 ZINC001473447193 937807301 /nfs/dbraw/zinc/80/73/01/937807301.db2.gz ZXUGJFINJAJUDK-UHFFFAOYSA-N 1 0 296.798 3.360 20 5 CGBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C(C)(C)C ZINC001330620581 935304254 /nfs/dbraw/zinc/30/42/54/935304254.db2.gz FJPQLVFCKQYGEM-UHFFFAOYSA-N 1 0 277.324 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H](F)C2)cc1 ZINC001336757452 936213798 /nfs/dbraw/zinc/21/37/98/936213798.db2.gz HIRPVKCRNOLXQE-CHWSQXEVSA-N 1 0 266.316 3.008 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001559219351 938222732 /nfs/dbraw/zinc/22/27/32/938222732.db2.gz KWIDHGWUPCJRKK-GHMZBOCLSA-N 1 0 283.397 3.105 20 5 CGBDRO Cc1ccc(NCC[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001579723515 962659797 /nfs/dbraw/zinc/65/97/97/962659797.db2.gz FNYIMCVDWKWLMP-ZDUSSCGKSA-N 1 0 277.368 3.095 20 5 CGBDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000337468920 214101170 /nfs/dbraw/zinc/10/11/70/214101170.db2.gz MUHBOZVACIITJI-UKRRQHHQSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000124806896 187154765 /nfs/dbraw/zinc/15/47/65/187154765.db2.gz UHZJUMZMILBMQT-AEAUEXCSSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(C3CC3)CC2)cc1 ZINC000590008725 346821922 /nfs/dbraw/zinc/82/19/22/346821922.db2.gz YFBPKNRJIVVKLU-UHFFFAOYSA-N 1 0 274.364 3.259 20 5 CGBDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000337952166 214329825 /nfs/dbraw/zinc/32/98/25/214329825.db2.gz SNFYWSNFBUVDAH-AWEZNQCLSA-N 1 0 298.358 3.275 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c1 ZINC000591062039 346897114 /nfs/dbraw/zinc/89/71/14/346897114.db2.gz SHBDWEDTZWJZID-AWEZNQCLSA-N 1 0 260.337 3.217 20 5 CGBDRO C[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186235 346970445 /nfs/dbraw/zinc/97/04/45/346970445.db2.gz BEHWCDGFYQAGIP-CYBMUJFWSA-N 1 0 290.363 3.128 20 5 CGBDRO COc1ccc(C[NH2+]C2(C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000593080996 347036877 /nfs/dbraw/zinc/03/68/77/347036877.db2.gz OWBUICGEQQGTMN-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO O=[N+]([O-])c1cccnc1NCCCCC[NH+]1CCCCC1 ZINC000034506986 344940148 /nfs/dbraw/zinc/94/01/48/344940148.db2.gz SYAXMJVKYQPPHC-UHFFFAOYSA-N 1 0 292.383 3.058 20 5 CGBDRO CC[NH+]1CCC(CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000044526388 345012365 /nfs/dbraw/zinc/01/23/65/345012365.db2.gz ABMDYQDODKAMMK-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1csc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000063132622 345243431 /nfs/dbraw/zinc/24/34/31/345243431.db2.gz DGDOOLDVTBRKEN-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000063619195 345250545 /nfs/dbraw/zinc/25/05/45/345250545.db2.gz QOMDXLJJEHOMAL-ZDUSSCGKSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1ccc(F)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000116914246 232183914 /nfs/dbraw/zinc/18/39/14/232183914.db2.gz JWZMXLMJXJDMDE-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO Cc1c(C[NH+]2C[C@H](C)S[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000075894707 345526897 /nfs/dbraw/zinc/52/68/97/345526897.db2.gz HERJBYGLFVMYQK-QWRGUYRKSA-N 1 0 280.393 3.229 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000076073457 345532254 /nfs/dbraw/zinc/53/22/54/345532254.db2.gz PNLKKLVQLZINTM-NWDGAFQWSA-N 1 0 280.393 3.483 20 5 CGBDRO Cc1ccnc(NCCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000080606309 345680221 /nfs/dbraw/zinc/68/02/21/345680221.db2.gz BEMWKZUFQIHYOV-UHFFFAOYSA-N 1 0 294.399 3.219 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091475967 345815514 /nfs/dbraw/zinc/81/55/14/345815514.db2.gz XPFQJMJSHYTZFO-ZDUSSCGKSA-N 1 0 277.368 3.127 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000090910122 345797038 /nfs/dbraw/zinc/79/70/38/345797038.db2.gz ROCZGMBZMYHTPJ-AWEZNQCLSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H](CC1CCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130589151 346059425 /nfs/dbraw/zinc/05/94/25/346059425.db2.gz YTPLVORKFPDIPC-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@@H]2CCOC2)c2ccccc2)c1 ZINC000181003050 232410234 /nfs/dbraw/zinc/41/02/34/232410234.db2.gz WPCKFSPYWWOCEN-WBVHZDCISA-N 1 0 298.342 3.063 20 5 CGBDRO Cc1ccc(NC2CC[NH+](CC3CC3)CC2)c([N+](=O)[O-])c1 ZINC000175026566 346246728 /nfs/dbraw/zinc/24/67/28/346246728.db2.gz JCAIWEMJWFYLHI-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO CCC(C)(C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000230655178 346321336 /nfs/dbraw/zinc/32/13/36/346321336.db2.gz PPTMRDKIUKDWPF-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311691017 346474822 /nfs/dbraw/zinc/47/48/22/346474822.db2.gz KIPILLBMISCXBL-GXSJLCMTSA-N 1 0 270.279 3.433 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)COCC1CC1 ZINC000593717505 347107862 /nfs/dbraw/zinc/10/78/62/347107862.db2.gz JGKLHZOGVGWOQS-OLZOCXBDSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(C2CCC2)C1 ZINC000589184442 346788110 /nfs/dbraw/zinc/78/81/10/346788110.db2.gz MRPITBABSLSFDT-XBXARRHUSA-N 1 0 272.348 3.340 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000589568995 346800596 /nfs/dbraw/zinc/80/05/96/346800596.db2.gz ODRWLLDEUJHNQG-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594041570 347143387 /nfs/dbraw/zinc/14/33/87/347143387.db2.gz FUYBBQQUQBVPSO-HIFRSBDPSA-N 1 0 296.342 3.171 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccncc1 ZINC000594496653 347178236 /nfs/dbraw/zinc/17/82/36/347178236.db2.gz QGVUOXBOXJUDIA-LRDDRELGSA-N 1 0 297.358 3.370 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C(C1CC1)C1CC1 ZINC000594504508 347180798 /nfs/dbraw/zinc/18/07/98/347180798.db2.gz OGGAKRJDUKFRDD-AWEZNQCLSA-N 1 0 272.348 3.360 20 5 CGBDRO CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC=CC1 ZINC000594512087 347184154 /nfs/dbraw/zinc/18/41/54/347184154.db2.gz TUWOBSOVORXQHO-SOFGYWHQSA-N 1 0 258.321 3.306 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725809 347214040 /nfs/dbraw/zinc/21/40/40/347214040.db2.gz XTMBMBALHMSCFJ-SWLSCSKDSA-N 1 0 291.395 3.118 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000594998193 347252604 /nfs/dbraw/zinc/25/26/04/347252604.db2.gz UNYMFVOGLHRSOO-ZDUSSCGKSA-N 1 0 298.408 3.341 20 5 CGBDRO COC1CC(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000594959362 347240981 /nfs/dbraw/zinc/24/09/81/347240981.db2.gz CTCQDDDJRISZDY-GQCTYLIASA-N 1 0 290.363 3.013 20 5 CGBDRO CC[C@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594965568 347244762 /nfs/dbraw/zinc/24/47/62/347244762.db2.gz AGEHEUYGKUKQLW-JTQLQIEISA-N 1 0 254.305 3.260 20 5 CGBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594984475 347249491 /nfs/dbraw/zinc/24/94/91/347249491.db2.gz IPENWZROSUONTF-GXFFZTMASA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000595106828 347284969 /nfs/dbraw/zinc/28/49/69/347284969.db2.gz MMIFAIGFRPCVOY-QWHCGFSZSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCOC1(C)C ZINC000595106826 347285136 /nfs/dbraw/zinc/28/51/36/347285136.db2.gz MMIFAIGFRPCVOY-CHWSQXEVSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1noc(C[N@H+]2CCCC[C@@H]2CC(C)C)c1[N+](=O)[O-] ZINC000595384858 347297513 /nfs/dbraw/zinc/29/75/13/347297513.db2.gz QSTHIOZWJLEYHW-GFCCVEGCSA-N 1 0 281.356 3.292 20 5 CGBDRO CC[C@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595013413 347257070 /nfs/dbraw/zinc/25/70/70/347257070.db2.gz QVAYBJKLYVYIKM-HIFRSBDPSA-N 1 0 290.363 3.347 20 5 CGBDRO CC/C=C/C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039745 347266153 /nfs/dbraw/zinc/26/61/53/347266153.db2.gz BUOIXFUORSZNJF-QRGHLMKCSA-N 1 0 264.325 3.220 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595419042 347300185 /nfs/dbraw/zinc/30/01/85/347300185.db2.gz WNQUFTBHKDPBRZ-ZJUUUORDSA-N 1 0 254.305 3.258 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000595075924 347278043 /nfs/dbraw/zinc/27/80/43/347278043.db2.gz BXLFVTSSFZBDCO-XUJVJEKNSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595079188 347278942 /nfs/dbraw/zinc/27/89/42/347278942.db2.gz ILPVJRXIBBZNHT-SKDRFNHKSA-N 1 0 270.279 3.291 20 5 CGBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096896 347282581 /nfs/dbraw/zinc/28/25/81/347282581.db2.gz NSMPVXNAFZXTSH-UONOGXRCSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595422139 347300980 /nfs/dbraw/zinc/30/09/80/347300980.db2.gz GMWIPLHOUTVTIW-CQSZACIVSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755717 347351430 /nfs/dbraw/zinc/35/14/30/347351430.db2.gz OUOBMLBVEMZZIV-ZDUSSCGKSA-N 1 0 280.343 3.475 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000595440715 347303754 /nfs/dbraw/zinc/30/37/54/347303754.db2.gz RESOZXJKXPECNB-CYBMUJFWSA-N 1 0 296.342 3.170 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC000595565008 347320475 /nfs/dbraw/zinc/32/04/75/347320475.db2.gz XRFDAVKOVWYRRW-SECBINFHSA-N 1 0 254.305 3.258 20 5 CGBDRO CCCCC[C@@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595871559 347368811 /nfs/dbraw/zinc/36/88/11/347368811.db2.gz OZLPAHLBZCGNIK-CQSZACIVSA-N 1 0 294.399 3.226 20 5 CGBDRO Cc1cc(N2CC[C@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000596121123 347385383 /nfs/dbraw/zinc/38/53/83/347385383.db2.gz KPWNQHSGOJNGQX-LBPRGKRZSA-N 1 0 295.408 3.029 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC1 ZINC000598962022 347700749 /nfs/dbraw/zinc/70/07/49/347700749.db2.gz QRFQYQYXQDOKOJ-UGFHNGPFSA-N 1 0 274.364 3.162 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598998062 347704778 /nfs/dbraw/zinc/70/47/78/347704778.db2.gz DEWHPIYJLWICSZ-MJTIAALOSA-N 1 0 290.363 3.010 20 5 CGBDRO Cc1ncccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000599072792 347714595 /nfs/dbraw/zinc/71/45/95/347714595.db2.gz ILPVXTLBIZIPPZ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000599623340 347758857 /nfs/dbraw/zinc/75/88/57/347758857.db2.gz OLXXUPTTWHWWOR-LLVKDONJSA-N 1 0 284.306 3.257 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)C2CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000600157048 347786146 /nfs/dbraw/zinc/78/61/46/347786146.db2.gz UJRUOCFKSSXFPE-JTQLQIEISA-N 1 0 284.306 3.427 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)o2)cc1 ZINC000600191663 347791566 /nfs/dbraw/zinc/79/15/66/347791566.db2.gz MBYYQOAAKKCQNJ-BETUJISGSA-N 1 0 284.315 3.307 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2CCCC3)c(F)c1 ZINC000601148861 347875086 /nfs/dbraw/zinc/87/50/86/347875086.db2.gz HATOGLLMMNUSPS-BXUZGUMPSA-N 1 0 264.300 3.156 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000601156137 347876173 /nfs/dbraw/zinc/87/61/73/347876173.db2.gz LNFFJSVYBPCMKG-CVEARBPZSA-N 1 0 290.363 3.032 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3ncccc32)cc1 ZINC000601268027 347887173 /nfs/dbraw/zinc/88/71/73/347887173.db2.gz JDIIUHZQMBNXNK-MRXNPFEDSA-N 1 0 283.331 3.157 20 5 CGBDRO Cc1c(C[NH+]2CCC(C)(F)CC2)cccc1[N+](=O)[O-] ZINC000602742546 348022207 /nfs/dbraw/zinc/02/22/07/348022207.db2.gz QDOGMXIZYUQVJJ-UHFFFAOYSA-N 1 0 266.316 3.227 20 5 CGBDRO CCC[NH+](CCC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012195 348106456 /nfs/dbraw/zinc/10/64/56/348106456.db2.gz JSLYDWMKAHYYOU-UHFFFAOYSA-N 1 0 280.368 3.486 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000609133640 348337012 /nfs/dbraw/zinc/33/70/12/348337012.db2.gz OMNDXKGZFGIAEJ-OAHLLOKOSA-N 1 0 260.337 3.012 20 5 CGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000610274074 348370329 /nfs/dbraw/zinc/37/03/29/348370329.db2.gz BNZRCGPAQQGZIK-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCOC1 ZINC000610832271 348405864 /nfs/dbraw/zinc/40/58/64/348405864.db2.gz PGRUQFSYQWFDLY-RDBSUJKOSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000357779356 233002667 /nfs/dbraw/zinc/00/26/67/233002667.db2.gz QHJPEXNOXQTMEN-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO CCC1(O)CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611327493 348437907 /nfs/dbraw/zinc/43/79/07/348437907.db2.gz FRDASIKTKXWVEG-YGONEPDPSA-N 1 0 292.379 3.329 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)CC2CCOCC2)cccc1[N+](=O)[O-] ZINC000358324162 233107460 /nfs/dbraw/zinc/10/74/60/233107460.db2.gz OEFPMYRPAPUFEC-GFCCVEGCSA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339588462 215260343 /nfs/dbraw/zinc/26/03/43/215260343.db2.gz YLENERSCSWZICV-NMTKSXOJSA-N 1 0 264.300 3.088 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC1CC1)C(C)C ZINC000619531662 349257107 /nfs/dbraw/zinc/25/71/07/349257107.db2.gz HYZBZCPPMXNQAP-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785561 349285502 /nfs/dbraw/zinc/28/55/02/349285502.db2.gz NIZWZERPYAFEFJ-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000271339358 191082369 /nfs/dbraw/zinc/08/23/69/191082369.db2.gz GIYKJXVCWNKIIH-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000122710478 187046822 /nfs/dbraw/zinc/04/68/22/187046822.db2.gz WYOFQCMGBKTOPA-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000271478291 191162495 /nfs/dbraw/zinc/16/24/95/191162495.db2.gz JHIVEJPVMBVWIT-WCFLWFBJSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414115125 235339300 /nfs/dbraw/zinc/33/93/00/235339300.db2.gz UQUNMSFLBPTRGV-BREBYQMCSA-N 1 0 282.771 3.425 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414186644 235358371 /nfs/dbraw/zinc/35/83/71/235358371.db2.gz CUUPBQZGLLLGST-YPMHNXCESA-N 1 0 280.368 3.226 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414195039 235361281 /nfs/dbraw/zinc/36/12/81/235361281.db2.gz IYYPBZQNTJHEHK-UONOGXRCSA-N 1 0 294.395 3.178 20 5 CGBDRO COC[C@@H](C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417341021 235623467 /nfs/dbraw/zinc/62/34/67/235623467.db2.gz NPEDQCSAPYCECH-BLLLJJGKSA-N 1 0 292.379 3.234 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000107829617 138358923 /nfs/dbraw/zinc/35/89/23/138358923.db2.gz BRSYKBPJMGZITI-VXGBXAGGSA-N 1 0 295.770 3.287 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000126575846 138386276 /nfs/dbraw/zinc/38/62/76/138386276.db2.gz FBJJFIAYKPKAQW-SECBINFHSA-N 1 0 274.411 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c(F)c1 ZINC000424165799 236127528 /nfs/dbraw/zinc/12/75/28/236127528.db2.gz FINISAOBMJNBCV-JSGCOSHPSA-N 1 0 278.327 3.260 20 5 CGBDRO COCC(C)(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000426082289 236280745 /nfs/dbraw/zinc/28/07/45/236280745.db2.gz XICGZYJDUAYHMR-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000426821397 236316197 /nfs/dbraw/zinc/31/61/97/236316197.db2.gz SHXBAFIWLLOGCX-KBPBESRZSA-N 1 0 290.363 3.096 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000178563558 189126817 /nfs/dbraw/zinc/12/68/17/189126817.db2.gz XYONZQPBHVMVNJ-MPTQWLOMSA-N 1 0 292.379 3.043 20 5 CGBDRO CCSCC[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342226290 216269663 /nfs/dbraw/zinc/26/96/63/216269663.db2.gz GVGTVOUQCZYARD-UHFFFAOYSA-N 1 0 268.382 3.173 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H](F)C2)c(Cl)c1 ZINC000342275163 216287275 /nfs/dbraw/zinc/28/72/75/216287275.db2.gz AGPGUDCHGWNLOS-UWVGGRQHSA-N 1 0 272.707 3.228 20 5 CGBDRO CC[NH+](CC)CCSc1c(F)cccc1[N+](=O)[O-] ZINC000342262578 216283288 /nfs/dbraw/zinc/28/32/88/216283288.db2.gz DXQKKLRSGYYBNX-UHFFFAOYSA-N 1 0 272.345 3.168 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000301571329 201073229 /nfs/dbraw/zinc/07/32/29/201073229.db2.gz KYAHNNAVBGFAQF-QWHCGFSZSA-N 1 0 277.368 3.188 20 5 CGBDRO COc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184235323 189380976 /nfs/dbraw/zinc/38/09/76/189380976.db2.gz PBJNEBMNCUFUJU-AOOOYVTPSA-N 1 0 282.315 3.115 20 5 CGBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1cccs1 ZINC000301941330 201271082 /nfs/dbraw/zinc/27/10/82/201271082.db2.gz VRKKDYMKJTXXBY-JTQLQIEISA-N 1 0 297.405 3.433 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC(C)(C)C1 ZINC000449217521 239250767 /nfs/dbraw/zinc/25/07/67/239250767.db2.gz ZRUWLSGEYPXGIZ-OCCSQVGLSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1F ZINC000449343295 239330624 /nfs/dbraw/zinc/33/06/24/239330624.db2.gz JGUFODSYGQFYAO-RTXFEEFZSA-N 1 0 266.316 3.006 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000449627402 239566107 /nfs/dbraw/zinc/56/61/07/239566107.db2.gz GHMHAXWIZSMBMU-JVEHBYJWSA-N 1 0 290.363 3.011 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191651865 189601251 /nfs/dbraw/zinc/60/12/51/189601251.db2.gz CGWQKJBGFDMTDB-COPLHBTASA-N 1 0 266.341 3.059 20 5 CGBDRO COc1ccc(C[NH+]2CC(C3CCCC3)C2)cc1[N+](=O)[O-] ZINC000459612084 242146248 /nfs/dbraw/zinc/14/62/48/242146248.db2.gz MBSOUJAXMPRQOT-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)ccc1[N+](=O)[O-] ZINC000459774849 242225483 /nfs/dbraw/zinc/22/54/83/242225483.db2.gz JOFAAASEZPVVRC-RDBSUJKOSA-N 1 0 290.363 3.272 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000459774812 242226525 /nfs/dbraw/zinc/22/65/25/242226525.db2.gz JHJJMTRDVWALQH-CDMKHQONSA-N 1 0 294.326 3.021 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2scnc2C2CC2)cc1 ZINC000486930980 243379829 /nfs/dbraw/zinc/37/98/29/243379829.db2.gz DKPDNAJJVAKNGQ-UHFFFAOYSA-N 1 0 289.360 3.219 20 5 CGBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037153279 369069902 /nfs/dbraw/zinc/06/99/02/369069902.db2.gz JUEGLXRTROWGGY-KGLIPLIRSA-N 1 0 291.395 3.120 20 5 CGBDRO CCOc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000037679436 369099728 /nfs/dbraw/zinc/09/97/28/369099728.db2.gz NOJFRJSLHVDGQZ-UHFFFAOYSA-N 1 0 286.331 3.283 20 5 CGBDRO CC(C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040999706 369167123 /nfs/dbraw/zinc/16/71/23/369167123.db2.gz UXYSEZZOFVWPDW-UHFFFAOYSA-N 1 0 277.349 3.216 20 5 CGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000048334757 369342312 /nfs/dbraw/zinc/34/23/12/369342312.db2.gz QINULCHFSXPOFE-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1[N+](=O)[O-] ZINC000049577471 369410792 /nfs/dbraw/zinc/41/07/92/369410792.db2.gz UXMMNNSFVDDUSY-UHFFFAOYSA-N 1 0 292.285 3.471 20 5 CGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000057622599 369543834 /nfs/dbraw/zinc/54/38/34/369543834.db2.gz GQCPOUXXSHIJHG-INIZCTEOSA-N 1 0 285.347 3.270 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000068828868 369748481 /nfs/dbraw/zinc/74/84/81/369748481.db2.gz DCEKBTYOKZOZII-SNVBAGLBSA-N 1 0 254.355 3.278 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000355358119 296151443 /nfs/dbraw/zinc/15/14/43/296151443.db2.gz XJYPWFGVANELQT-FRRDWIJNSA-N 1 0 278.352 3.061 20 5 CGBDRO CCSCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080530824 369990331 /nfs/dbraw/zinc/99/03/31/369990331.db2.gz DWPJLDNRTSAWSG-NSHDSACASA-N 1 0 268.382 3.216 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000132146836 371154867 /nfs/dbraw/zinc/15/48/67/371154867.db2.gz CBOGCTRYLCZBCG-NSHDSACASA-N 1 0 250.342 3.162 20 5 CGBDRO CCSCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000135292410 371410632 /nfs/dbraw/zinc/41/06/32/371410632.db2.gz FGRBPXNEWSPBRJ-NSHDSACASA-N 1 0 268.382 3.216 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2O)c(Cl)c1 ZINC000135723838 371446704 /nfs/dbraw/zinc/44/67/04/371446704.db2.gz SLNCKUYEXMDPJY-KGLIPLIRSA-N 1 0 298.770 3.031 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000344025218 217016002 /nfs/dbraw/zinc/01/60/02/217016002.db2.gz ILFXGJKWNNUUNN-CYBMUJFWSA-N 1 0 290.363 3.225 20 5 CGBDRO COCCC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000151199378 371582012 /nfs/dbraw/zinc/58/20/12/371582012.db2.gz DVDUHHRXPDCSCP-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000287421311 371653588 /nfs/dbraw/zinc/65/35/88/371653588.db2.gz KBIOUXFKCZNWDD-VNHYZAJKSA-N 1 0 292.379 3.226 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCOC2CCC2)C2CC2)c1 ZINC000287634453 371687407 /nfs/dbraw/zinc/68/74/07/371687407.db2.gz FWJIVQABUYLKMG-UHFFFAOYSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421886028 371697998 /nfs/dbraw/zinc/69/79/98/371697998.db2.gz RTWZWRUTHIFDOJ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000337372762 214037119 /nfs/dbraw/zinc/03/71/19/214037119.db2.gz DKZSYKCDYAGFCC-WQVCFCJDSA-N 1 0 290.363 3.272 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291277962 372152319 /nfs/dbraw/zinc/15/23/19/372152319.db2.gz QZDJQJFFXNRVQW-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(F)(F)C1 ZINC000428653283 372243939 /nfs/dbraw/zinc/24/39/39/372243939.db2.gz RQRLRQLIQVTVNX-YHYXMXQVSA-N 1 0 282.290 3.385 20 5 CGBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000293110698 372301626 /nfs/dbraw/zinc/30/16/26/372301626.db2.gz YLUDHWSAYYPRLY-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293279201 372344375 /nfs/dbraw/zinc/34/43/75/372344375.db2.gz CUFAJQVAQYYVRT-VIFPVBQESA-N 1 0 275.352 3.016 20 5 CGBDRO CC1=CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000293712727 372458951 /nfs/dbraw/zinc/45/89/51/372458951.db2.gz UUUAWUDJKDVYTB-CQSZACIVSA-N 1 0 260.337 3.226 20 5 CGBDRO C[C@@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000353457038 220092447 /nfs/dbraw/zinc/09/24/47/220092447.db2.gz YHCZUKBHESAPET-LLVKDONJSA-N 1 0 298.408 3.172 20 5 CGBDRO COC1CCC(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000344649213 217262946 /nfs/dbraw/zinc/26/29/46/217262946.db2.gz ZFNHUIYOAOEMFZ-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CS[C@@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344807472 217318179 /nfs/dbraw/zinc/31/81/79/217318179.db2.gz HFBXQMXJLKGTDO-VNKGSWCUSA-N 1 0 280.393 3.339 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296520224 373161110 /nfs/dbraw/zinc/16/11/10/373161110.db2.gz PWVBKFAAVLHOHN-NEPJUHHUSA-N 1 0 280.368 3.103 20 5 CGBDRO CCC[C@@H]([NH2+]CCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000296586152 373186166 /nfs/dbraw/zinc/18/61/66/373186166.db2.gz URQZOXNPCSQRFL-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[NH+]1CCCC1 ZINC000444829003 373280870 /nfs/dbraw/zinc/28/08/70/373280870.db2.gz PUOFMVUFIDOVTN-UHFFFAOYSA-N 1 0 283.759 3.064 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000444826847 373280941 /nfs/dbraw/zinc/28/09/41/373280941.db2.gz IQHIYDZTNZRDMW-MNOVXSKESA-N 1 0 297.786 3.451 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301091346 373656204 /nfs/dbraw/zinc/65/62/04/373656204.db2.gz LJCAJBZTYKHZMT-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO CCCC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301352923 373756372 /nfs/dbraw/zinc/75/63/72/373756372.db2.gz JMRMEVJHJNESMJ-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449505086 373805388 /nfs/dbraw/zinc/80/53/88/373805388.db2.gz QWFWNDYDAYGCQW-HZMBPMFUSA-N 1 0 298.770 3.105 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000301506613 373781891 /nfs/dbraw/zinc/78/18/91/373781891.db2.gz HAVHCGIWCPBDQS-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1cccc(NC[C@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000302500482 373881157 /nfs/dbraw/zinc/88/11/57/373881157.db2.gz OJLFKOMKMOJRNT-CYBMUJFWSA-N 1 0 289.335 3.211 20 5 CGBDRO Cc1cccc(NCC[N@H+]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000302509537 373884008 /nfs/dbraw/zinc/88/40/08/373884008.db2.gz RZZLOIMJNASDBI-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1CC[NH+](C)CC1 ZINC000302838428 373981303 /nfs/dbraw/zinc/98/13/03/373981303.db2.gz YMHUTOUHBPOGHK-UHFFFAOYSA-N 1 0 297.786 3.310 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC000310715415 374221956 /nfs/dbraw/zinc/22/19/56/374221956.db2.gz WFGZSIWWZUDCIB-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCOCC1 ZINC000313859529 374309116 /nfs/dbraw/zinc/30/91/16/374309116.db2.gz JFSWBOWGMSAMFV-UHFFFAOYSA-N 1 0 296.342 3.030 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000324447083 374356733 /nfs/dbraw/zinc/35/67/33/374356733.db2.gz WKMIOBSZRJILSU-OAHLLOKOSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000325686087 374359364 /nfs/dbraw/zinc/35/93/64/374359364.db2.gz MNBKPAVHWGYOFE-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000183038752 374359865 /nfs/dbraw/zinc/35/98/65/374359865.db2.gz XRYXKPDTPGPCNA-RYUDHWBXSA-N 1 0 296.367 3.006 20 5 CGBDRO COc1cc(C[N@H+](CC(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184243130 374508233 /nfs/dbraw/zinc/50/82/33/374508233.db2.gz IJJOTCYQNZUZDI-UHFFFAOYSA-N 1 0 296.342 3.363 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332218463 374560944 /nfs/dbraw/zinc/56/09/44/374560944.db2.gz IKPYWSRBPJTDBF-NSHDSACASA-N 1 0 288.351 3.093 20 5 CGBDRO C[C@@H]1C[NH+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000464832035 374907647 /nfs/dbraw/zinc/90/76/47/374907647.db2.gz LFZVTVLCBSONGS-NXEZZACHSA-N 1 0 268.744 3.336 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]1C ZINC000487990746 375292509 /nfs/dbraw/zinc/29/25/09/375292509.db2.gz RVNWHEACMXEXHL-XJKSGUPXSA-N 1 0 292.379 3.232 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@H](C)C1 ZINC000190428161 375508824 /nfs/dbraw/zinc/50/88/24/375508824.db2.gz YSFDPPYNTUSLCP-NEPJUHHUSA-N 1 0 280.393 3.341 20 5 CGBDRO CSC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000193646324 375903000 /nfs/dbraw/zinc/90/30/00/375903000.db2.gz JXBSKFJCTXRARJ-QPJJXVBHSA-N 1 0 292.404 3.483 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000193827335 375928145 /nfs/dbraw/zinc/92/81/45/375928145.db2.gz FZLNWGUZTVEILN-NSHDSACASA-N 1 0 280.393 3.449 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000336830871 375991249 /nfs/dbraw/zinc/99/12/49/375991249.db2.gz HOPXVWPVGHRDPS-CABCVRRESA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1ccc([N+](=O)[O-])cc1 ZINC000221579428 376217463 /nfs/dbraw/zinc/21/74/63/376217463.db2.gz XEYODMKIZAMBEC-LBPRGKRZSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056574 376356064 /nfs/dbraw/zinc/35/60/64/376356064.db2.gz SZJXOVYFJRTQLM-OLZOCXBDSA-N 1 0 278.352 3.237 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C)cc1[N+](=O)[O-] ZINC000229657583 376467309 /nfs/dbraw/zinc/46/73/09/376467309.db2.gz RJOSPKSPHFJVMF-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000231043204 376553557 /nfs/dbraw/zinc/55/35/57/376553557.db2.gz FXRMXZHIBPFJOX-UHFFFAOYSA-N 1 0 298.383 3.451 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000233991306 376608338 /nfs/dbraw/zinc/60/83/38/376608338.db2.gz XTAYZVSKYXSQPY-UONOGXRCSA-N 1 0 280.393 3.359 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000542706082 376573237 /nfs/dbraw/zinc/57/32/37/376573237.db2.gz ONVCADILXFKOMI-HOCLYGCPSA-N 1 0 292.379 3.196 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000234826224 376620316 /nfs/dbraw/zinc/62/03/16/376620316.db2.gz PARUQISTZPKCMO-QWHCGFSZSA-N 1 0 298.770 3.151 20 5 CGBDRO [NH3+][C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000236294837 376661815 /nfs/dbraw/zinc/66/18/15/376661815.db2.gz HEWGSKAYSHBEMB-JTQLQIEISA-N 1 0 290.150 3.051 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860168 376684694 /nfs/dbraw/zinc/68/46/94/376684694.db2.gz RNXAFRJKJPDFMF-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1CF ZINC000556950072 376911476 /nfs/dbraw/zinc/91/14/76/376911476.db2.gz LRKKNGDXIBMVNN-PINLSGDHSA-N 1 0 278.327 3.432 20 5 CGBDRO CCC[NH+]1CCC(CNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000561155251 377210916 /nfs/dbraw/zinc/21/09/16/377210916.db2.gz IUMZOYDKGXVWPB-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000247702722 377235151 /nfs/dbraw/zinc/23/51/51/377235151.db2.gz YFBODCKEOBNTQX-TZMCWYRMSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@@H]([NH2+]CCOCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000313248747 249089792 /nfs/dbraw/zinc/08/97/92/249089792.db2.gz GRFLFWHOMHRCSX-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000302437956 249079391 /nfs/dbraw/zinc/07/93/91/249079391.db2.gz WCRWTZRNGTWPDZ-GFCCVEGCSA-N 1 0 250.342 3.367 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000313286407 249090854 /nfs/dbraw/zinc/09/08/54/249090854.db2.gz DWYZCDRRUBZHNA-TXEJJXNPSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426219049 249130204 /nfs/dbraw/zinc/13/02/04/249130204.db2.gz VLPIDEREAVDBKO-APHBMKBZSA-N 1 0 292.379 3.200 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000515300513 249207407 /nfs/dbraw/zinc/20/74/07/249207407.db2.gz SRTMBVJZNIGCKD-QWHCGFSZSA-N 1 0 266.316 3.274 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)o1 ZINC000515702398 249218879 /nfs/dbraw/zinc/21/88/79/249218879.db2.gz IBDIWYOZQVPMGZ-UHFFFAOYSA-N 1 0 299.330 3.310 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000575816214 377993883 /nfs/dbraw/zinc/99/38/83/377993883.db2.gz NKFHQTRHJNXNHE-NWJSVONSSA-N 1 0 290.363 3.128 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268929234 378154126 /nfs/dbraw/zinc/15/41/26/378154126.db2.gz ZAVOMSUINOCTHO-CJNGLKHVSA-N 1 0 294.395 3.057 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000268905252 378148398 /nfs/dbraw/zinc/14/83/98/378148398.db2.gz GOLDNONCHPXYST-IUODEOHRSA-N 1 0 280.368 3.225 20 5 CGBDRO Cc1ccncc1CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000269578148 378238724 /nfs/dbraw/zinc/23/87/24/378238724.db2.gz DGBRJEIOVAPCBU-UHFFFAOYSA-N 1 0 297.358 3.463 20 5 CGBDRO Cc1nccn1CCCSCc1ccc([N+](=O)[O-])cc1 ZINC000270060336 378301264 /nfs/dbraw/zinc/30/12/64/378301264.db2.gz WZEYXXQTSIRSTG-UHFFFAOYSA-N 1 0 291.376 3.423 20 5 CGBDRO CCc1cc(N2CCc3c(cccc3[N+](=O)[O-])C2)cc[nH+]1 ZINC000583852901 378352138 /nfs/dbraw/zinc/35/21/38/378352138.db2.gz BJRDFDOCJUMETC-UHFFFAOYSA-N 1 0 283.331 3.115 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584480267 378387943 /nfs/dbraw/zinc/38/79/43/378387943.db2.gz VTHGJVXKDQQARK-BXUZGUMPSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000348140294 378810192 /nfs/dbraw/zinc/81/01/92/378810192.db2.gz APNKKJWLWHJEQF-ZYHUDNBSSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)([NH2+]Cc1cncc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000346983578 218079704 /nfs/dbraw/zinc/07/97/04/218079704.db2.gz ZRFAVTSBUWCDFS-UHFFFAOYSA-N 1 0 289.310 3.154 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000348482419 378966524 /nfs/dbraw/zinc/96/65/24/378966524.db2.gz WCJSFZHRDJFLIN-GXTWGEPZSA-N 1 0 298.383 3.498 20 5 CGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000276908567 379019688 /nfs/dbraw/zinc/01/96/88/379019688.db2.gz OOVLENKQKLQNNS-FZMZJTMJSA-N 1 0 280.368 3.041 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)c1 ZINC000278672088 194094420 /nfs/dbraw/zinc/09/44/20/194094420.db2.gz IISQRBSCVJNFCU-LLVKDONJSA-N 1 0 288.269 3.369 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000349358962 379247269 /nfs/dbraw/zinc/24/72/69/379247269.db2.gz XTKFGUPQDDMUAP-IINYFYTJSA-N 1 0 292.360 3.041 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278214604 379319436 /nfs/dbraw/zinc/31/94/36/379319436.db2.gz KOBUDDYWZLMTAL-JTQLQIEISA-N 1 0 281.312 3.123 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000347585382 218281558 /nfs/dbraw/zinc/28/15/58/218281558.db2.gz UEWKONNRLGMQGT-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCCO1 ZINC000266680354 190274785 /nfs/dbraw/zinc/27/47/85/190274785.db2.gz AFTUPMIWWCEGOM-STQMWFEESA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCSC1 ZINC000279871310 379538584 /nfs/dbraw/zinc/53/85/84/379538584.db2.gz FNFDNKKCURDHJZ-STQMWFEESA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352403532 379797206 /nfs/dbraw/zinc/79/72/06/379797206.db2.gz VWZYOINVNATMSQ-SDBXPKJASA-N 1 0 270.279 3.151 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC=C(c3ccco3)C2)c1 ZINC000352549629 379854148 /nfs/dbraw/zinc/85/41/48/379854148.db2.gz DXPKBVVBIZQDDT-UHFFFAOYSA-N 1 0 284.315 3.477 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282171519 379867582 /nfs/dbraw/zinc/86/75/82/379867582.db2.gz MFXSMBASGQHEHX-HEHGZKQESA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCC12CCC2 ZINC000282283230 379889107 /nfs/dbraw/zinc/88/91/07/379889107.db2.gz RTYOGAUKUFSFEG-AWEZNQCLSA-N 1 0 260.337 3.060 20 5 CGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352796144 379965562 /nfs/dbraw/zinc/96/55/62/379965562.db2.gz GENKBMDQWRPMBB-KWQFWETISA-N 1 0 286.784 3.089 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC23CCOCC3)cs1 ZINC000282750582 379981904 /nfs/dbraw/zinc/98/19/04/379981904.db2.gz SISCYGXQPPNHJL-GFCCVEGCSA-N 1 0 296.392 3.095 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000284104619 380125922 /nfs/dbraw/zinc/12/59/22/380125922.db2.gz MSDDYCBJWRJUJU-UHFFFAOYSA-N 1 0 281.312 3.123 20 5 CGBDRO C[C@@H]1N(C/C=C/c2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000353920301 380235520 /nfs/dbraw/zinc/23/55/20/380235520.db2.gz MMFVLCVNBYMCLN-CFNZNRNTSA-N 1 0 290.363 3.107 20 5 CGBDRO CC(C)OCC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414546388 380311122 /nfs/dbraw/zinc/31/11/22/380311122.db2.gz GZXBVMLPIQOUIG-CLFYSBASSA-N 1 0 292.379 3.401 20 5 CGBDRO C[C@]1(F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355352356 380654123 /nfs/dbraw/zinc/65/41/23/380654123.db2.gz HJJNYIOIQKANOL-SDQPKGBYSA-N 1 0 264.300 3.042 20 5 CGBDRO COCCCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000418142807 380713552 /nfs/dbraw/zinc/71/35/52/380713552.db2.gz HWSILWYYXJYWSK-SDNWHVSQSA-N 1 0 292.379 3.357 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CC ZINC000421380171 380921201 /nfs/dbraw/zinc/92/12/01/380921201.db2.gz LVQFWBOPNNBWOM-NSHDSACASA-N 1 0 266.341 3.129 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C1CCC1 ZINC000357045135 381009455 /nfs/dbraw/zinc/00/94/55/381009455.db2.gz UBWWBGAHDRYDGX-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000357649477 381238061 /nfs/dbraw/zinc/23/80/61/381238061.db2.gz MQLKOFNCJRKNEH-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414221574 533019486 /nfs/dbraw/zinc/01/94/86/533019486.db2.gz DIYYRLWAMULIEM-MKBNYLNASA-N 1 0 292.379 3.449 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000441435692 285110436 /nfs/dbraw/zinc/11/04/36/285110436.db2.gz FILQDNJPZQTCEC-GOEBONIOSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000350285760 219004669 /nfs/dbraw/zinc/00/46/69/219004669.db2.gz JEGLUJMZCUMSQK-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CCC(F)(F)C1)CC2 ZINC000450488630 285142173 /nfs/dbraw/zinc/14/21/73/285142173.db2.gz VSQQLHWDPFKTNQ-LLVKDONJSA-N 1 0 296.317 3.388 20 5 CGBDRO COCC[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453247850 285179963 /nfs/dbraw/zinc/17/99/63/285179963.db2.gz PCIXSYFLRKAETI-JGGQBBKZSA-N 1 0 292.379 3.451 20 5 CGBDRO CCOCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000288570505 197114966 /nfs/dbraw/zinc/11/49/66/197114966.db2.gz MYVNHEYYRNZRBD-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000282564608 195647068 /nfs/dbraw/zinc/64/70/68/195647068.db2.gz DWMGKVCCBZLVIJ-OAHLLOKOSA-N 1 0 290.363 3.034 20 5 CGBDRO CSC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000433181791 533508611 /nfs/dbraw/zinc/50/86/11/533508611.db2.gz YTEBXJGVUWUOSP-XYOKQWHBSA-N 1 0 292.404 3.483 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000068836797 392168951 /nfs/dbraw/zinc/16/89/51/392168951.db2.gz RKBIOCKRQXNGTH-INIZCTEOSA-N 1 0 297.358 3.281 20 5 CGBDRO CCCO[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108394883 392342573 /nfs/dbraw/zinc/34/25/73/392342573.db2.gz LDSFXWCXDNOZLT-MRXNPFEDSA-N 1 0 292.379 3.376 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000361938772 392369576 /nfs/dbraw/zinc/36/95/76/392369576.db2.gz NCFRTFYFSGUXQF-ZKYQVNSYSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442292 392415989 /nfs/dbraw/zinc/41/59/89/392415989.db2.gz WDCXUUOXTCEXAU-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCCCCC2)c1 ZINC000158012215 392553020 /nfs/dbraw/zinc/55/30/20/392553020.db2.gz RLXXWFLBORNJLB-UHFFFAOYSA-N 1 0 262.353 3.450 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313073307 392663703 /nfs/dbraw/zinc/66/37/03/392663703.db2.gz YPQIRBCNYKETKF-KGLIPLIRSA-N 1 0 278.352 3.061 20 5 CGBDRO CCc1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000179315734 392696397 /nfs/dbraw/zinc/69/63/97/392696397.db2.gz SUZJACBUXAHTLV-UHFFFAOYSA-N 1 0 274.320 3.382 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)c1 ZINC000510661042 392808373 /nfs/dbraw/zinc/80/83/73/392808373.db2.gz FOPSATUWDIAQOY-JKSUJKDBSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821014 393061156 /nfs/dbraw/zinc/06/11/56/393061156.db2.gz GANLYISEMWTQCY-LKFCYVNXSA-N 1 0 295.770 3.143 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000470174740 393229159 /nfs/dbraw/zinc/22/91/59/393229159.db2.gz NAQYANWMNPWERK-SSUFTNFISA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H](CC[NH3+])Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420228336 393440416 /nfs/dbraw/zinc/44/04/16/393440416.db2.gz QXFOYXWMDVEFSO-LURJTMIESA-N 1 0 278.139 3.051 20 5 CGBDRO Cc1cc(N[C@@H](C)CC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420226513 393440732 /nfs/dbraw/zinc/44/07/32/393440732.db2.gz LZEBURXGLZXKML-QMMMGPOBSA-N 1 0 291.273 3.071 20 5 CGBDRO C[C@H](CCC[NH3+])Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420262747 393444735 /nfs/dbraw/zinc/44/47/35/393444735.db2.gz RYZRDKHZRYZJSP-SSDOTTSWSA-N 1 0 292.166 3.441 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000430213339 393540908 /nfs/dbraw/zinc/54/09/08/393540908.db2.gz BKEGAMRHZZTVHT-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592240 393490108 /nfs/dbraw/zinc/49/01/08/393490108.db2.gz SIJNFNWTQXSMJT-DOMZBBRYSA-N 1 0 262.353 3.258 20 5 CGBDRO C[NH+](C)C1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000420621576 393508832 /nfs/dbraw/zinc/50/88/32/393508832.db2.gz DIAQUEOFGNGAMX-UHFFFAOYSA-N 1 0 299.321 3.158 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488443709 393515223 /nfs/dbraw/zinc/51/52/23/393515223.db2.gz BTEQGSABYKIKTC-UKRRQHHQSA-N 1 0 294.420 3.257 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239153 393546128 /nfs/dbraw/zinc/54/61/28/393546128.db2.gz MVSWZRYLKZFOEU-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1(C)CCCC1 ZINC000490212336 393636920 /nfs/dbraw/zinc/63/69/20/393636920.db2.gz ZRFZGHCIYBEDRJ-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447552612 393865030 /nfs/dbraw/zinc/86/50/30/393865030.db2.gz UHDHEHSPFDANDZ-IXPVHAAZSA-N 1 0 260.337 3.218 20 5 CGBDRO C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000501775647 393861509 /nfs/dbraw/zinc/86/15/09/393861509.db2.gz MCKOAVPCNCYPAO-CHWSQXEVSA-N 1 0 262.353 3.115 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000449627404 393926086 /nfs/dbraw/zinc/92/60/86/393926086.db2.gz GHMHAXWIZSMBMU-SZNKJTEWSA-N 1 0 290.363 3.011 20 5 CGBDRO CC1(F)CC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000453242783 394216924 /nfs/dbraw/zinc/21/69/24/394216924.db2.gz WXKBWKKIJJJYRJ-NPCAHTBFSA-N 1 0 292.354 3.396 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000453407230 394236537 /nfs/dbraw/zinc/23/65/37/394236537.db2.gz DJMSPFXSLMDGMC-AWEZNQCLSA-N 1 0 299.374 3.062 20 5 CGBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000552246586 289175054 /nfs/dbraw/zinc/17/50/54/289175054.db2.gz YWEHAIIFHPQKTD-UONOGXRCSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290205920 292248315 /nfs/dbraw/zinc/24/83/15/292248315.db2.gz PLWVFCUFYCFPKJ-SWLSCSKDSA-N 1 0 292.379 3.105 20 5 CGBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000086701334 287084137 /nfs/dbraw/zinc/08/41/37/287084137.db2.gz OWTHMGNHDBIJJE-CYBMUJFWSA-N 1 0 286.759 3.009 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])s1 ZINC000048068843 165026667 /nfs/dbraw/zinc/02/66/67/165026667.db2.gz KOIDKHRESFINFW-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000092406981 165293582 /nfs/dbraw/zinc/29/35/82/165293582.db2.gz JGIYKVRDQFAIPB-SBJJXXPASA-N 1 0 290.363 3.109 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392848 165295048 /nfs/dbraw/zinc/29/50/48/165295048.db2.gz SEAYCAFTRBMHDB-CABCVRRESA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000093443124 287116747 /nfs/dbraw/zinc/11/67/47/287116747.db2.gz IOZDWFDVEYWRBX-KBPBESRZSA-N 1 0 260.337 3.135 20 5 CGBDRO Cc1ccc(NCC2([NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC000118907310 287162310 /nfs/dbraw/zinc/16/23/10/287162310.db2.gz MOTAXXNWSLCBJQ-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2)Cc2ccccc2C1 ZINC000125394088 287243831 /nfs/dbraw/zinc/24/38/31/287243831.db2.gz HKZNQSHCJBDWHK-UHFFFAOYSA-N 1 0 282.343 3.242 20 5 CGBDRO CC(C)COCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020147385 171033892 /nfs/dbraw/zinc/03/38/92/171033892.db2.gz PLAISXHWJSWVPB-CYBMUJFWSA-N 1 0 280.368 3.308 20 5 CGBDRO CC[N@H+](C)Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000126272220 287260595 /nfs/dbraw/zinc/26/05/95/287260595.db2.gz CUGKKCMTQKXNSY-UHFFFAOYSA-N 1 0 260.293 3.307 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000126531351 287266870 /nfs/dbraw/zinc/26/68/70/287266870.db2.gz LMXGMIDQWUCCGG-NSHDSACASA-N 1 0 282.409 3.477 20 5 CGBDRO C[C@@H]([NH2+]CCCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285332027 196252807 /nfs/dbraw/zinc/25/28/07/196252807.db2.gz UIAGLGGMSRXSNF-MRVPVSSYSA-N 1 0 291.273 3.170 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CCC(F)(F)F ZINC000285392327 196271489 /nfs/dbraw/zinc/27/14/89/196271489.db2.gz SOCALINOWNKOIP-UHFFFAOYSA-N 1 0 276.258 3.022 20 5 CGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285430032 196282485 /nfs/dbraw/zinc/28/24/85/196282485.db2.gz HLKBASOKNVXPOQ-GHMZBOCLSA-N 1 0 298.770 3.010 20 5 CGBDRO OCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000036449983 172636720 /nfs/dbraw/zinc/63/67/20/172636720.db2.gz OCLGJLCRYRZREE-UHFFFAOYSA-N 1 0 251.329 3.075 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000037167408 173001680 /nfs/dbraw/zinc/00/16/80/173001680.db2.gz QJRPOQDNBXYPFY-QWRGUYRKSA-N 1 0 288.351 3.049 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCSC1 ZINC000037174782 173009610 /nfs/dbraw/zinc/00/96/10/173009610.db2.gz GLMCKDPVZNAUPO-JTQLQIEISA-N 1 0 286.784 3.186 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1 ZINC000037668384 173609785 /nfs/dbraw/zinc/60/97/85/173609785.db2.gz CZRLQHVUZAXEJN-HNNXBMFYSA-N 1 0 284.315 3.078 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000038095917 174109415 /nfs/dbraw/zinc/10/94/15/174109415.db2.gz METQJIUVAUXPCE-GXTWGEPZSA-N 1 0 278.352 3.123 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000040506723 174302130 /nfs/dbraw/zinc/30/21/30/174302130.db2.gz XOXLXBDBKDMGDG-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675941 174373380 /nfs/dbraw/zinc/37/33/80/174373380.db2.gz OSDVOFOHPSYOFC-VXGBXAGGSA-N 1 0 250.342 3.162 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000040675992 174373670 /nfs/dbraw/zinc/37/36/70/174373670.db2.gz QZTQHBHCVMXTMM-CQSZACIVSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000040718142 174385043 /nfs/dbraw/zinc/38/50/43/174385043.db2.gz HECCVSBDPULBKR-SECBINFHSA-N 1 0 254.717 3.090 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000045652543 175382029 /nfs/dbraw/zinc/38/20/29/175382029.db2.gz JBYXNRJUHKQYLA-NSHDSACASA-N 1 0 283.759 3.143 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000129497042 287333543 /nfs/dbraw/zinc/33/35/43/287333543.db2.gz MWCOMWPYSCJMLY-CYBMUJFWSA-N 1 0 262.353 3.306 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000418099986 228048731 /nfs/dbraw/zinc/04/87/31/228048731.db2.gz QNXYJZDWMJQIRD-UHFFFAOYSA-N 1 0 290.363 3.128 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC(C)(C)C ZINC000526046811 260205312 /nfs/dbraw/zinc/20/53/12/260205312.db2.gz QKWIFYQKBNQONN-JLHYYAGUSA-N 1 0 292.379 3.403 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000525997428 270122037 /nfs/dbraw/zinc/12/20/37/270122037.db2.gz RVPGQSFEUXBTAJ-ABVOLYDNSA-N 1 0 260.337 3.481 20 5 CGBDRO Cc1cccc2c1C[NH2+]CCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000415103370 274798657 /nfs/dbraw/zinc/79/86/57/274798657.db2.gz PUSSQDDWDKMKGO-UHFFFAOYSA-N 1 0 297.358 3.013 20 5 CGBDRO Cn1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000278707849 274895340 /nfs/dbraw/zinc/89/53/40/274895340.db2.gz LJNCDFFNEXBFFU-INIZCTEOSA-N 1 0 285.347 3.101 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000516978638 276114869 /nfs/dbraw/zinc/11/48/69/276114869.db2.gz GHBFQDFHOGBQPS-FZMZJTMJSA-N 1 0 290.363 3.129 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090801184 276209231 /nfs/dbraw/zinc/20/92/31/276209231.db2.gz MPSXECXIXQEDFE-LBPRGKRZSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295124502 276587917 /nfs/dbraw/zinc/58/79/17/276587917.db2.gz ZBBHJAFZJWLPKK-FZMZJTMJSA-N 1 0 280.368 3.103 20 5 CGBDRO CC(C)CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540216 277351783 /nfs/dbraw/zinc/35/17/83/277351783.db2.gz ISMDAXHNEAQBFR-UONOGXRCSA-N 1 0 294.399 3.301 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271826749 277500425 /nfs/dbraw/zinc/50/04/25/277500425.db2.gz SZBBMZBAKFVBGH-NWDGAFQWSA-N 1 0 266.341 3.061 20 5 CGBDRO CO[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447533610 277730050 /nfs/dbraw/zinc/73/00/50/277730050.db2.gz RWFCJJVWIALNTH-JKSUJKDBSA-N 1 0 292.379 3.233 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000394239983 288002153 /nfs/dbraw/zinc/00/21/53/288002153.db2.gz NSYPMOJGSDTZRM-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000394730707 288003184 /nfs/dbraw/zinc/00/31/84/288003184.db2.gz GXWBLCXHOCJXHR-AWEZNQCLSA-N 1 0 260.337 3.407 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000397584154 288024615 /nfs/dbraw/zinc/02/46/15/288024615.db2.gz GWGXPGRRACYHJQ-CMPLNLGQSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@@]1([NH2+]Cc2csc([N+](=O)[O-])c2)CC=CCC1 ZINC000398215130 288040813 /nfs/dbraw/zinc/04/08/13/288040813.db2.gz APECUSJXBOEDDW-GFCCVEGCSA-N 1 0 252.339 3.245 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000354018939 288073787 /nfs/dbraw/zinc/07/37/87/288073787.db2.gz SZIRDLRYFZSZOA-LEWSCRJBSA-N 1 0 280.393 3.387 20 5 CGBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577634 279228793 /nfs/dbraw/zinc/22/87/93/279228793.db2.gz NFTQRVHSFZKKGV-QWHCGFSZSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000182746353 281021462 /nfs/dbraw/zinc/02/14/62/281021462.db2.gz ZGOOQVKMTWNFRF-NEPJUHHUSA-N 1 0 280.393 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+](CC2CC2)CC2CC2)cc1 ZINC000533383141 288378974 /nfs/dbraw/zinc/37/89/74/288378974.db2.gz BKKRQDFJCOIILM-UHFFFAOYSA-N 1 0 290.363 3.096 20 5 CGBDRO CC(C)C[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552560276 289192700 /nfs/dbraw/zinc/19/27/00/289192700.db2.gz RCCKJGFDNVOFRZ-LBPRGKRZSA-N 1 0 262.353 3.388 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000554403336 289281377 /nfs/dbraw/zinc/28/13/77/289281377.db2.gz RMCLDKFNJPIQMN-HZSPNIEDSA-N 1 0 292.379 3.044 20 5 CGBDRO C[C@H](Nc1c(F)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000561210647 289628834 /nfs/dbraw/zinc/62/88/34/289628834.db2.gz ODFMLMQPLXNMID-JTQLQIEISA-N 1 0 283.347 3.122 20 5 CGBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000388236926 327857364 /nfs/dbraw/zinc/85/73/64/327857364.db2.gz PBUFEDRVCPMQQJ-LKFCYVNXSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1c(C[NH+]2C[C@@H]3CCC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000153274448 321716681 /nfs/dbraw/zinc/71/66/81/321716681.db2.gz UEKMDCPFEGDDDE-KBPBESRZSA-N 1 0 260.337 3.135 20 5 CGBDRO COC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000165915880 321905801 /nfs/dbraw/zinc/90/58/01/321905801.db2.gz BMSABKBAWZCGAT-GXTWGEPZSA-N 1 0 280.368 3.225 20 5 CGBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC000565394251 322076264 /nfs/dbraw/zinc/07/62/64/322076264.db2.gz FBKVCRIFUQBZLM-AWEZNQCLSA-N 1 0 260.337 3.215 20 5 CGBDRO Cc1cnccc1CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000568505052 322211602 /nfs/dbraw/zinc/21/16/02/322211602.db2.gz IDEGTXIQMVEHNB-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO C[C@@H](Cc1ccncc1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568662867 322217807 /nfs/dbraw/zinc/21/78/07/322217807.db2.gz MFFBMUBQGOGYLY-LRDDRELGSA-N 1 0 297.358 3.198 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000568717300 322219576 /nfs/dbraw/zinc/21/95/76/322219576.db2.gz XHWVLZORWFEMRM-OBJOEFQTSA-N 1 0 278.352 3.121 20 5 CGBDRO CCO[C@@H]1C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000569908172 322260347 /nfs/dbraw/zinc/26/03/47/322260347.db2.gz IQYVBBXSWNDGEW-QLFBSQMISA-N 1 0 290.363 3.084 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCCSC1 ZINC000572975274 322363983 /nfs/dbraw/zinc/36/39/83/322363983.db2.gz RGAYVVRFGMTQOR-ZWNOBZJWSA-N 1 0 278.377 3.067 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCCCO1 ZINC000573741431 322404774 /nfs/dbraw/zinc/40/47/74/322404774.db2.gz IPAKSCOSUYNBEF-IUODEOHRSA-N 1 0 290.363 3.131 20 5 CGBDRO CCSCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575195868 322478173 /nfs/dbraw/zinc/47/81/73/322478173.db2.gz YQTSUAIAEJJDBE-ZDUSSCGKSA-N 1 0 280.393 3.315 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C[C@@H]1C(F)F ZINC000575900992 322495751 /nfs/dbraw/zinc/49/57/51/322495751.db2.gz WWYDESCRMAHHGB-WRQQAGDVSA-N 1 0 282.290 3.241 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CSC1(C)C ZINC000584160361 327053316 /nfs/dbraw/zinc/05/33/16/327053316.db2.gz FWTXIYUNKKBMFG-OIOXUXFSSA-N 1 0 292.404 3.482 20 5 CGBDRO C[C@H](SCC1CC[NH2+]CC1)c1ccccc1[N+](=O)[O-] ZINC000578068116 335477357 /nfs/dbraw/zinc/47/73/57/335477357.db2.gz ODQUKVWZPCBBLV-NSHDSACASA-N 1 0 280.393 3.389 20 5 CGBDRO CC[NH2+][C@H](C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000387464180 336194160 /nfs/dbraw/zinc/19/41/60/336194160.db2.gz QPTQJTZTWTUONM-MRVPVSSYSA-N 1 0 291.273 3.024 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000330663136 533943624 /nfs/dbraw/zinc/94/36/24/533943624.db2.gz UWZUMPNQRQXJTB-OLZOCXBDSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(F)c1 ZINC000449068696 534254478 /nfs/dbraw/zinc/25/44/78/534254478.db2.gz ULFBQMOYZUYSMN-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000413434880 534327929 /nfs/dbraw/zinc/32/79/29/534327929.db2.gz GQUHUEFPRHEWLG-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094773752 525528910 /nfs/dbraw/zinc/52/89/10/525528910.db2.gz SEAJWJNVZWZYMC-SNVBAGLBSA-N 1 0 266.316 3.402 20 5 CGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438093 527865043 /nfs/dbraw/zinc/86/50/43/527865043.db2.gz DAYIGLHLLNVUNR-BBRMVZONSA-N 1 0 294.395 3.433 20 5 CGBDRO CCCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000151594212 528060718 /nfs/dbraw/zinc/06/07/18/528060718.db2.gz MJHQCVZAAPDOCY-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO CC[NH+](CC)CCSCc1csc([N+](=O)[O-])c1 ZINC000359728821 528163743 /nfs/dbraw/zinc/16/37/43/528163743.db2.gz QZINXJDNUHSSOU-UHFFFAOYSA-N 1 0 274.411 3.231 20 5 CGBDRO CC[NH+](CC)CCSc1c(F)cc([N+](=O)[O-])cc1F ZINC000440596126 528165667 /nfs/dbraw/zinc/16/56/67/528165667.db2.gz QAEJHSWDSPWMPS-UHFFFAOYSA-N 1 0 290.335 3.307 20 5 CGBDRO CCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000428536695 528531403 /nfs/dbraw/zinc/53/14/03/528531403.db2.gz SJSWHZDZEMDBBF-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000358163910 529220183 /nfs/dbraw/zinc/22/01/83/529220183.db2.gz HWLWMSAGVOVPSH-CABCVRRESA-N 1 0 280.368 3.187 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088716180 535527053 /nfs/dbraw/zinc/52/70/53/535527053.db2.gz IKCAMMBBZGBCLV-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000516846963 535811253 /nfs/dbraw/zinc/81/12/53/535811253.db2.gz DSOKTHUREXGISR-GDBMZVCRSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872752 572694594 /nfs/dbraw/zinc/69/45/94/572694594.db2.gz BTHPDWFDWBHLGL-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO C[NH+](C)C(C)(C)CNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000234254350 618096479 /nfs/dbraw/zinc/09/64/79/618096479.db2.gz YFGZDBRSFMZPAK-UHFFFAOYSA-N 1 0 289.738 3.139 20 5 CGBDRO CCCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000050888842 618746906 /nfs/dbraw/zinc/74/69/06/618746906.db2.gz BLAKLHKSBHXXAP-NSHDSACASA-N 1 0 266.341 3.272 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000047909004 619454472 /nfs/dbraw/zinc/45/44/72/619454472.db2.gz JBLHRYFQVWBMGG-JTQLQIEISA-N 1 0 278.327 3.497 20 5 CGBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000895327788 619805671 /nfs/dbraw/zinc/80/56/71/619805671.db2.gz BUMMWQYLZXOGSV-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H](CF)C1 ZINC000895546889 619848528 /nfs/dbraw/zinc/84/85/28/619848528.db2.gz XEWHUNGVPMNRFY-LVDDQXARSA-N 1 0 278.327 3.290 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000179114987 620302874 /nfs/dbraw/zinc/30/28/74/620302874.db2.gz MSTCRLMPMQTHCH-CYBMUJFWSA-N 1 0 298.383 3.451 20 5 CGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925308114 620395758 /nfs/dbraw/zinc/39/57/58/620395758.db2.gz BGJVAZCUPDZLME-HIFRSBDPSA-N 1 0 280.368 3.014 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000897799761 620434826 /nfs/dbraw/zinc/43/48/26/620434826.db2.gz KUNFBMOCWRIJSW-LBPRGKRZSA-N 1 0 280.393 3.359 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897960116 620457127 /nfs/dbraw/zinc/45/71/27/620457127.db2.gz ZCZDKUXNUFXKHU-LWWSYDQCSA-N 1 0 272.348 3.360 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCCOC(C)C)cc([N+](=O)[O-])c1 ZINC000903057673 621546299 /nfs/dbraw/zinc/54/62/99/621546299.db2.gz KIBQYYLIJNKIHB-GFCCVEGCSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1cc([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000903245216 621636956 /nfs/dbraw/zinc/63/69/56/621636956.db2.gz KKRMTKNQZKZUJJ-JQWIXIFHSA-N 1 0 289.335 3.346 20 5 CGBDRO COCCC[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245436 621637040 /nfs/dbraw/zinc/63/70/40/621637040.db2.gz MBLJGDACLUNDQO-CHWSQXEVSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@@]1(C)CCCO1)c1ccccc1[N+](=O)[O-] ZINC000903244690 621637146 /nfs/dbraw/zinc/63/71/46/621637146.db2.gz BMMHGDLRPQWNLQ-DVOMOZLQSA-N 1 0 292.379 3.246 20 5 CGBDRO CCC[C@@H](C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905422576 622072176 /nfs/dbraw/zinc/07/21/76/622072176.db2.gz IVVBDHCTIDUUNO-IUODEOHRSA-N 1 0 280.368 3.044 20 5 CGBDRO CSCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168130654 622991932 /nfs/dbraw/zinc/99/19/32/622991932.db2.gz LFEHZWJLLJIWAW-VIFPVBQESA-N 1 0 288.800 3.479 20 5 CGBDRO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000171679609 623182915 /nfs/dbraw/zinc/18/29/15/623182915.db2.gz ABAZYOJJMPFNGR-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@@H]1Cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000921564825 625682187 /nfs/dbraw/zinc/68/21/87/625682187.db2.gz ZLCHPVVHEIJHSQ-GFCCVEGCSA-N 1 0 298.342 3.208 20 5 CGBDRO C[NH+](C)C(C)(C)CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124764342 634504304 /nfs/dbraw/zinc/50/43/04/634504304.db2.gz UQTCICPGKZMUTE-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849382 627275140 /nfs/dbraw/zinc/27/51/40/627275140.db2.gz PVQDBWZMLXHQEX-KOZAUXTDSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000766273172 627309797 /nfs/dbraw/zinc/30/97/97/627309797.db2.gz NYOXJXKSOBSQLQ-UONOGXRCSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC[C@@H]1C ZINC000766273466 627311567 /nfs/dbraw/zinc/31/15/67/627311567.db2.gz PPHZYMSGNCOGLB-UONOGXRCSA-N 1 0 291.395 3.038 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766992337 627374934 /nfs/dbraw/zinc/37/49/34/627374934.db2.gz UBFIVCGQCIGSIE-WDEREUQCSA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000773125225 627859992 /nfs/dbraw/zinc/85/99/92/627859992.db2.gz YPJQGRUBTZGAEN-WDEREUQCSA-N 1 0 259.309 3.335 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584716 628220784 /nfs/dbraw/zinc/22/07/84/628220784.db2.gz PDLVPLDOXOQZET-XJKCOSOUSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCC1 ZINC000777119938 628250799 /nfs/dbraw/zinc/25/07/99/628250799.db2.gz DMQUORGLIKGGSQ-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC=CO1 ZINC000783303175 628701317 /nfs/dbraw/zinc/70/13/17/628701317.db2.gz HFTHRTJPYCIKRA-DZGCQCFKSA-N 1 0 290.363 3.198 20 5 CGBDRO CCOC1CC([N@H+](C)Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000805819733 628966948 /nfs/dbraw/zinc/96/69/48/628966948.db2.gz XYTGPSILFHBGCP-UHFFFAOYSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788803572 629083378 /nfs/dbraw/zinc/08/33/78/629083378.db2.gz GNUUIDXWRBEUCG-WOPDTQHZSA-N 1 0 277.368 3.264 20 5 CGBDRO CC[N@H+](CC[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC000791052988 629252918 /nfs/dbraw/zinc/25/29/18/629252918.db2.gz QURFISXDKAJSDB-LLVKDONJSA-N 1 0 262.309 3.092 20 5 CGBDRO CCN(CCC[NH+](C)C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000809749956 630798892 /nfs/dbraw/zinc/79/88/92/630798892.db2.gz NFOOFWKNNZNYFW-UHFFFAOYSA-N 1 0 299.802 3.022 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000811867101 631128237 /nfs/dbraw/zinc/12/82/37/631128237.db2.gz LJBHBYNXFRNSHD-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815583678 631800790 /nfs/dbraw/zinc/80/07/90/631800790.db2.gz LRQNULKPGJLZGB-ADEWGFFLSA-N 1 0 295.408 3.112 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620230 631807918 /nfs/dbraw/zinc/80/79/18/631807918.db2.gz KQKODVUDLDTJBO-YGRLFVJLSA-N 1 0 275.352 3.160 20 5 CGBDRO CC[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819329558 632431145 /nfs/dbraw/zinc/43/11/45/632431145.db2.gz IJLWERDSTVSZSX-XNRPHZJLSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(C)C1CC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819332133 632432489 /nfs/dbraw/zinc/43/24/89/632432489.db2.gz LTUWZFVGLDBMJL-PIMMBPRGSA-N 1 0 292.379 3.043 20 5 CGBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CCC1 ZINC000865850499 632915902 /nfs/dbraw/zinc/91/59/02/632915902.db2.gz ROYQEZRJVQBUPA-UHFFFAOYSA-N 1 0 285.294 3.086 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CS[C@@H](C)C1 ZINC000866372661 633108285 /nfs/dbraw/zinc/10/82/85/633108285.db2.gz IRWVXIJWIJFQLW-GBIKHYSHSA-N 1 0 298.383 3.149 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000866541374 633184123 /nfs/dbraw/zinc/18/41/23/633184123.db2.gz ZNSREWLRVWPETF-CQSZACIVSA-N 1 0 260.337 3.326 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@@H]1CCSC1 ZINC000876572945 634860157 /nfs/dbraw/zinc/86/01/57/634860157.db2.gz KWZCTZKGJBZCLC-GFCCVEGCSA-N 1 0 280.393 3.149 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122593621 633445043 /nfs/dbraw/zinc/44/50/43/633445043.db2.gz ZCBGOPFPLKDTIE-NSHDSACASA-N 1 0 297.786 3.390 20 5 CGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)(C)C ZINC000830544935 633870451 /nfs/dbraw/zinc/87/04/51/633870451.db2.gz AQNNCOBPWNIURB-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO CC[N@H+](CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872032238 633950196 /nfs/dbraw/zinc/95/01/96/633950196.db2.gz YPHCNJCIDWPQLL-GFCCVEGCSA-N 1 0 297.374 3.115 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000872041486 633963140 /nfs/dbraw/zinc/96/31/40/633963140.db2.gz TUYNIDVEIGDYTN-GWCFXTLKSA-N 1 0 298.358 3.446 20 5 CGBDRO COC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872043508 633967292 /nfs/dbraw/zinc/96/72/92/633967292.db2.gz IHSZNRKUXQYXRW-SNVBAGLBSA-N 1 0 298.408 3.392 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000872053503 633977118 /nfs/dbraw/zinc/97/71/18/633977118.db2.gz YCGFHSJAQFUEDF-VHRBIJSZSA-N 1 0 296.342 3.342 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872065892 633988551 /nfs/dbraw/zinc/98/85/51/633988551.db2.gz CBGRRUGJKMAEKB-VIFPVBQESA-N 1 0 284.356 3.280 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872069660 633990868 /nfs/dbraw/zinc/99/08/68/633990868.db2.gz RSXSCAGTPHOPLS-VXGBXAGGSA-N 1 0 297.374 3.115 20 5 CGBDRO C[C@H]([NH2+]CCC(C)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872074670 633997111 /nfs/dbraw/zinc/99/71/11/633997111.db2.gz ZOLCERZZSRBACU-QMMMGPOBSA-N 1 0 276.258 3.430 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872079525 634002971 /nfs/dbraw/zinc/00/29/71/634002971.db2.gz ILZJZXDRGMOWLY-GRYCIOLGSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872088309 634014319 /nfs/dbraw/zinc/01/43/19/634014319.db2.gz PTTZSYWHMDEURW-BDAKNGLRSA-N 1 0 288.269 3.430 20 5 CGBDRO Cc1cccc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873126350 634251615 /nfs/dbraw/zinc/25/16/15/634251615.db2.gz QKSINJZPYNBXTP-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO Cc1ccncc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873131898 634253965 /nfs/dbraw/zinc/25/39/65/634253965.db2.gz ZFDVQTFZGVSEOO-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCc3ccc(O)cc32)cccc1[N+](=O)[O-] ZINC000873138338 634257434 /nfs/dbraw/zinc/25/74/34/634257434.db2.gz QFSMIZSSBSNPCD-INIZCTEOSA-N 1 0 298.342 3.386 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC000873151513 634258884 /nfs/dbraw/zinc/25/88/84/634258884.db2.gz XAIKXORJCSLNTL-UHFFFAOYSA-N 1 0 274.320 3.403 20 5 CGBDRO CC1(C)CO[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000873155041 634263089 /nfs/dbraw/zinc/26/30/89/634263089.db2.gz DPQPYFIHQYEYJK-VSKVDJIOSA-N 1 0 290.363 3.013 20 5 CGBDRO CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC(F)(F)C1 ZINC000873197958 634282597 /nfs/dbraw/zinc/28/25/97/634282597.db2.gz KCJMLHVHQPWCGT-XQRVVYSFSA-N 1 0 282.290 3.385 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876726398 634886599 /nfs/dbraw/zinc/88/65/99/634886599.db2.gz ZYHRERXXHDOCIH-AWEZNQCLSA-N 1 0 292.379 3.070 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)C2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000877730309 635166153 /nfs/dbraw/zinc/16/61/53/635166153.db2.gz VLVVEJDFSAPCAM-SNVBAGLBSA-N 1 0 284.306 3.427 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878356050 635472977 /nfs/dbraw/zinc/47/29/77/635472977.db2.gz PJVLXDITSJSWHL-IUODEOHRSA-N 1 0 290.363 3.347 20 5 CGBDRO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000879409035 635780701 /nfs/dbraw/zinc/78/07/01/635780701.db2.gz YJQRJEZHNXFCGX-CQSZACIVSA-N 1 0 278.352 3.032 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000879699204 635837993 /nfs/dbraw/zinc/83/79/93/635837993.db2.gz LGSNNQIMOIERQS-UHFFFAOYSA-N 1 0 298.358 3.153 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCOC1 ZINC000880465174 636005414 /nfs/dbraw/zinc/00/54/14/636005414.db2.gz BAKHPUIYLYXYNA-SWLSCSKDSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](O)c2ccccc21 ZINC000850372940 637036176 /nfs/dbraw/zinc/03/61/76/637036176.db2.gz BLUFRXPQZKFYDQ-DLBZAZTESA-N 1 0 298.342 3.171 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C)C1 ZINC000850462073 637075287 /nfs/dbraw/zinc/07/52/87/637075287.db2.gz MMAJYZDWDCFESR-SDDRHHMPSA-N 1 0 278.352 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000850462071 637075960 /nfs/dbraw/zinc/07/59/60/637075960.db2.gz MMAJYZDWDCFESR-GRYCIOLGSA-N 1 0 278.352 3.443 20 5 CGBDRO CSCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796753 637177946 /nfs/dbraw/zinc/17/79/46/637177946.db2.gz ALUUULDOODVKLT-QWRGUYRKSA-N 1 0 268.382 3.387 20 5 CGBDRO Cc1cccc(C(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1 ZINC000886112351 637419479 /nfs/dbraw/zinc/41/94/79/637419479.db2.gz VSDHKMWWKAWLQK-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000886114136 637420681 /nfs/dbraw/zinc/42/06/81/637420681.db2.gz HSZUMKXFLQKQPB-MRXNPFEDSA-N 1 0 297.358 3.101 20 5 CGBDRO CC(C)[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886129808 637428987 /nfs/dbraw/zinc/42/89/87/637428987.db2.gz ONJXQFRLZMDHKX-ZIAGYGMSSA-N 1 0 277.368 3.294 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927027135 638833764 /nfs/dbraw/zinc/83/37/64/638833764.db2.gz HKTXCBFCKPJUFK-FOGDFJRCSA-N 1 0 295.408 3.112 20 5 CGBDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927166227 638849568 /nfs/dbraw/zinc/84/95/68/638849568.db2.gz XAMAQVFNWFZSHY-IUODEOHRSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927166229 638849587 /nfs/dbraw/zinc/84/95/87/638849587.db2.gz XAMAQVFNWFZSHY-SWLSCSKDSA-N 1 0 290.363 3.347 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCC1 ZINC000930216463 638983291 /nfs/dbraw/zinc/98/32/91/638983291.db2.gz IFHGGIMRQMQFJC-ZDUSSCGKSA-N 1 0 268.744 3.048 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccns1 ZINC000858577206 638996587 /nfs/dbraw/zinc/99/65/87/638996587.db2.gz QKPMTNLMUVDENT-CABZTGNLSA-N 1 0 289.360 3.389 20 5 CGBDRO CCCCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C(C)C ZINC000116256287 639010665 /nfs/dbraw/zinc/01/06/65/639010665.db2.gz QATJBELROYKNKI-UHFFFAOYSA-N 1 0 282.388 3.266 20 5 CGBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(SC(F)(F)F)c1 ZINC000931756204 639197844 /nfs/dbraw/zinc/19/78/44/639197844.db2.gz OTAFMEBKOFYYCJ-QMMMGPOBSA-N 1 0 294.298 3.226 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176478 639287660 /nfs/dbraw/zinc/28/76/60/639287660.db2.gz FYZTVZCVGQXCEA-LYRGGWFBSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176480 639288082 /nfs/dbraw/zinc/28/80/82/639288082.db2.gz FYZTVZCVGQXCEA-XFBWCDHKSA-N 1 0 290.363 3.203 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000094324308 640793639 /nfs/dbraw/zinc/79/36/39/640793639.db2.gz XJXNMLQUOQZJHT-ZDUSSCGKSA-N 1 0 266.316 3.402 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094774242 640801981 /nfs/dbraw/zinc/80/19/81/640801981.db2.gz FQFOGCNVPABYDK-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001159472764 806109194 /nfs/dbraw/zinc/10/91/94/806109194.db2.gz RTEDCTAYOIQVMU-UHFFFAOYSA-N 1 0 269.304 3.250 20 5 CGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001159923971 806200102 /nfs/dbraw/zinc/20/01/02/806200102.db2.gz SESBCFMAMMFJNU-CQSZACIVSA-N 1 0 299.330 3.079 20 5 CGBDRO CC[N@H+](C1CC1)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475202 806412908 /nfs/dbraw/zinc/41/29/08/806412908.db2.gz BVULPXAAFOQNSA-UHFFFAOYSA-N 1 0 289.379 3.048 20 5 CGBDRO C[NH+](C)CCNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001161671113 806414024 /nfs/dbraw/zinc/41/40/24/806414024.db2.gz KOCXMXKACHLNRP-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001254530741 806444703 /nfs/dbraw/zinc/44/47/03/806444703.db2.gz AQZYEZMVWJEYNE-BNOWGMLFSA-N 1 0 280.343 3.396 20 5 CGBDRO CC(C)C[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550338 806447946 /nfs/dbraw/zinc/44/79/46/806447946.db2.gz HVKPGIMHAGHMFK-GFCCVEGCSA-N 1 0 250.342 3.114 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCCO1 ZINC001254561640 806451202 /nfs/dbraw/zinc/45/12/02/806451202.db2.gz HIDSDUVBQQOZGV-ZFWWWQNUSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CC1 ZINC001254564292 806451464 /nfs/dbraw/zinc/45/14/64/806451464.db2.gz KCYWSNKHSCECHQ-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCn2cccc2[C@@H]1C ZINC001254560487 806451602 /nfs/dbraw/zinc/45/16/02/806451602.db2.gz UCXYPJACBUPRQN-KGLIPLIRSA-N 1 0 299.374 3.404 20 5 CGBDRO CC1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(F)(F)C1 ZINC001254574016 806454327 /nfs/dbraw/zinc/45/43/27/806454327.db2.gz FIUNOALBGGTXFA-LBPRGKRZSA-N 1 0 296.317 3.087 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccoc1 ZINC001254581056 806455809 /nfs/dbraw/zinc/45/58/09/806455809.db2.gz JNZGJVDLZZWRCE-IINYFYTJSA-N 1 0 272.304 3.006 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC(C(F)F)CC1)C2 ZINC001254604857 806460207 /nfs/dbraw/zinc/46/02/07/806460207.db2.gz XVKJKUUMJVWNOH-AWEZNQCLSA-N 1 0 296.317 3.039 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000038092608 798885442 /nfs/dbraw/zinc/88/54/42/798885442.db2.gz ADVJZVDSJQUZIT-LLVKDONJSA-N 1 0 274.320 3.217 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CC3)C2)ccc1Cl ZINC000400285325 799544270 /nfs/dbraw/zinc/54/42/70/799544270.db2.gz KZZMTGUMCUODBD-LBPRGKRZSA-N 1 0 280.755 3.480 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000688903209 799757857 /nfs/dbraw/zinc/75/78/57/799757857.db2.gz VPTQGYKEIWDYAQ-ZWNOBZJWSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000688903482 799758505 /nfs/dbraw/zinc/75/85/05/799758505.db2.gz WWSOXXJVCOGEEU-GXFFZTMASA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000690391103 799775997 /nfs/dbraw/zinc/77/59/97/799775997.db2.gz JTYNJNBHMOVLAL-JTQLQIEISA-N 1 0 281.331 3.019 20 5 CGBDRO C[C@H]([NH2+]CCC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000693777428 799815097 /nfs/dbraw/zinc/81/50/97/799815097.db2.gz PECNAQPTFFLCPY-JTQLQIEISA-N 1 0 298.433 3.442 20 5 CGBDRO Cc1c(C[NH2+]CCC2SCCS2)cccc1[N+](=O)[O-] ZINC000693815561 799816015 /nfs/dbraw/zinc/81/60/15/799816015.db2.gz RLENBNHNLKQDFT-UHFFFAOYSA-N 1 0 298.433 3.189 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000697107674 799842300 /nfs/dbraw/zinc/84/23/00/799842300.db2.gz AGTFQGYBJDFFDK-UHFFFAOYSA-N 1 0 272.295 3.366 20 5 CGBDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000702365528 799909668 /nfs/dbraw/zinc/90/96/68/799909668.db2.gz NQMCQSJOQWFLIR-AWEZNQCLSA-N 1 0 266.316 3.260 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000706450451 799962065 /nfs/dbraw/zinc/96/20/65/799962065.db2.gz JKGJCEUYATWLOK-SECBINFHSA-N 1 0 290.697 3.383 20 5 CGBDRO CSC1CC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000706775065 799966267 /nfs/dbraw/zinc/96/62/67/799966267.db2.gz JHUDCVIFHKRGCC-FJJSSXBZSA-N 1 0 266.366 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CC=CC1 ZINC000717361542 800201044 /nfs/dbraw/zinc/20/10/44/800201044.db2.gz XHAGXPMVVCVIDH-UHFFFAOYSA-N 1 0 266.728 3.304 20 5 CGBDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000721193236 800279850 /nfs/dbraw/zinc/27/98/50/800279850.db2.gz HBDRKXOKFCOASZ-UONOGXRCSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000724646020 800364986 /nfs/dbraw/zinc/36/49/86/800364986.db2.gz UGKQPUPYGKGYEJ-IAZYJMLFSA-N 1 0 298.770 3.294 20 5 CGBDRO C[C@@H]([NH2+]C1(C2CC2)CCOCC1)c1ccccc1[N+](=O)[O-] ZINC001117101122 802433032 /nfs/dbraw/zinc/43/30/32/802433032.db2.gz UYMYWTGJPGHCOR-GFCCVEGCSA-N 1 0 290.363 3.205 20 5 CGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001117761279 802489268 /nfs/dbraw/zinc/48/92/68/802489268.db2.gz UGXGLXYMEACSNF-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO [NH3+]Cc1cnccc1-c1ncnc2cc3ccccc3cc21 ZINC001245557155 803812443 /nfs/dbraw/zinc/81/24/43/803812443.db2.gz HQZLHFLEJIXLTC-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168961603 807541403 /nfs/dbraw/zinc/54/14/03/807541403.db2.gz JAXJSJOKQAMDOR-SLEUVZQESA-N 1 0 287.363 3.279 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168965932 807542424 /nfs/dbraw/zinc/54/24/24/807542424.db2.gz DOLASJBRKAKHTE-ZBFHGGJFSA-N 1 0 276.380 3.345 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC001168976726 807545138 /nfs/dbraw/zinc/54/51/38/807545138.db2.gz FTAOCWWDFKFBQK-GXTWGEPZSA-N 1 0 254.374 3.134 20 5 CGBDRO Cc1ccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168979483 807546085 /nfs/dbraw/zinc/54/60/85/807546085.db2.gz YMZNIAKQRQWSSD-UKRRQHHQSA-N 1 0 274.364 3.019 20 5 CGBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168985366 807546762 /nfs/dbraw/zinc/54/67/62/807546762.db2.gz DPNHDDPQTDYMMI-LZWOXQAQSA-N 1 0 291.395 3.204 20 5 CGBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168984712 807546804 /nfs/dbraw/zinc/54/68/04/807546804.db2.gz QFDNZUWJKWPAAE-OSAQELSMSA-N 1 0 296.798 3.306 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(F)c1F ZINC001168991930 807548245 /nfs/dbraw/zinc/54/82/45/807548245.db2.gz IIQJRWKJQJTBTB-SDDRHHMPSA-N 1 0 298.333 3.369 20 5 CGBDRO CCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998527 807549163 /nfs/dbraw/zinc/54/91/63/807549163.db2.gz OHVNQNXSJYSXGJ-NEPJUHHUSA-N 1 0 290.354 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC001169006238 807550551 /nfs/dbraw/zinc/55/05/51/807550551.db2.gz WVAZNCGXEZWHGD-UKPHBRMFSA-N 1 0 288.391 3.489 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169003089 807550620 /nfs/dbraw/zinc/55/06/20/807550620.db2.gz NEAILZNASHSBSC-ILXRZTDVSA-N 1 0 276.380 3.399 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037251 807555591 /nfs/dbraw/zinc/55/55/91/807555591.db2.gz RLPMAMDYRJDYPX-OCCSQVGLSA-N 1 0 282.771 3.217 20 5 CGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001169554561 807665405 /nfs/dbraw/zinc/66/54/05/807665405.db2.gz KQYPZQMTGFURKU-ZIAGYGMSSA-N 1 0 294.399 3.048 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)(C)C ZINC001261258804 807723628 /nfs/dbraw/zinc/72/36/28/807723628.db2.gz MWNZHQMDGDSJIT-UHFFFAOYSA-N 1 0 294.351 3.082 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170328686 807826487 /nfs/dbraw/zinc/82/64/87/807826487.db2.gz LJZDVPUTTOGKQS-STQMWFEESA-N 1 0 292.379 3.409 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170345229 807828957 /nfs/dbraw/zinc/82/89/57/807828957.db2.gz IIYSFQHCUMHBBR-GFCCVEGCSA-N 1 0 292.379 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC13CCC3)CC2 ZINC001172904192 808475751 /nfs/dbraw/zinc/47/57/51/808475751.db2.gz MYFDMAMJCVKOBV-ZBFHGGJFSA-N 1 0 286.375 3.374 20 5 CGBDRO CC[C@@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901057 808476656 /nfs/dbraw/zinc/47/66/56/808476656.db2.gz IZISUYYMINBOIT-RISCZKNCSA-N 1 0 262.353 3.230 20 5 CGBDRO Cc1ncc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173209598 808537567 /nfs/dbraw/zinc/53/75/67/808537567.db2.gz DKGHWUCWBUSSBG-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1cccnc1 ZINC001173216099 808538340 /nfs/dbraw/zinc/53/83/40/808538340.db2.gz KJQZTOXXDVHTLX-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccsc1 ZINC001173217315 808538543 /nfs/dbraw/zinc/53/85/43/808538543.db2.gz SVSLLTUCDOJIMZ-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)c1 ZINC001173217351 808538557 /nfs/dbraw/zinc/53/85/57/808538557.db2.gz UIQZQIAXOFBOPA-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cccnc21 ZINC001173217942 808538582 /nfs/dbraw/zinc/53/85/82/808538582.db2.gz NOEFDSWXGXJWEW-LRDDRELGSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)C1CCC1 ZINC001173228296 808541376 /nfs/dbraw/zinc/54/13/76/808541376.db2.gz IUNZCFJCPRDBRL-RYUDHWBXSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001173229949 808543280 /nfs/dbraw/zinc/54/32/80/808543280.db2.gz WMJDMQWXWMTKNY-CHWSQXEVSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COc2ccccc21 ZINC001173236127 808545078 /nfs/dbraw/zinc/54/50/78/808545078.db2.gz XDRCDBFIUWKQHQ-BLLLJJGKSA-N 1 0 298.342 3.249 20 5 CGBDRO CC[C@@]1(CCc2ccccc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001175758645 809534578 /nfs/dbraw/zinc/53/45/78/809534578.db2.gz QXKDLTNKLVRSOI-INIZCTEOSA-N 1 0 276.380 3.141 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CCC(F)F)cc1[N+](=O)[O-] ZINC001179789654 809945719 /nfs/dbraw/zinc/94/57/19/809945719.db2.gz UYBHEHXZSMXCSC-UHFFFAOYSA-N 1 0 272.295 3.463 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCSC[C@@H](C)C1 ZINC001181445306 810052892 /nfs/dbraw/zinc/05/28/92/810052892.db2.gz NXOLSHGROMUVRP-NSHDSACASA-N 1 0 294.420 3.397 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001191406852 810709728 /nfs/dbraw/zinc/70/97/28/810709728.db2.gz AXWTVVFYVHGYRJ-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001193594307 810914495 /nfs/dbraw/zinc/91/44/95/810914495.db2.gz SAXYWSSCVGZDPT-XJKCOSOUSA-N 1 0 292.379 3.388 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@H](C)CCC1(C)C ZINC001195074437 811193874 /nfs/dbraw/zinc/19/38/74/811193874.db2.gz JJESYBRWRYNFJU-LLVKDONJSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1(C)CC1 ZINC001202270698 812054018 /nfs/dbraw/zinc/05/40/18/812054018.db2.gz OTLVTERBSKHBAB-UHFFFAOYSA-N 1 0 262.353 3.491 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC001204767380 812729670 /nfs/dbraw/zinc/72/96/70/812729670.db2.gz BKJYXNCRHSJWPJ-TXEJJXNPSA-N 1 0 262.353 3.299 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCCc1cccc2ccccc21 ZINC001206111890 813202911 /nfs/dbraw/zinc/20/29/11/813202911.db2.gz MMGNUEPQJMWEPN-OAHLLOKOSA-N 1 0 272.412 3.494 20 5 CGBDRO O=[N+]([O-])c1ccc(CO[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c2ccccc21 ZINC001217924886 816001998 /nfs/dbraw/zinc/00/19/98/816001998.db2.gz NKHDDDMMKBVJNX-JGFGOQIWSA-N 1 0 298.342 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001217965033 816021214 /nfs/dbraw/zinc/02/12/14/816021214.db2.gz LRLIIEXPUHFHCU-PXAZEXFGSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[NH2+]C[C@H]1C ZINC001217983421 816032760 /nfs/dbraw/zinc/03/27/60/816032760.db2.gz CBIHDDUDPKWURV-ZYHUDNBSSA-N 1 0 298.770 3.324 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090623 816092295 /nfs/dbraw/zinc/09/22/95/816092295.db2.gz CJDSLLCKRFEVGH-JSGCOSHPSA-N 1 0 296.754 3.159 20 5 CGBDRO c1ccc2cc3cc(OC[C@H]4C[NH2+]CCO4)ccc3cc2c1 ZINC001218177330 816117657 /nfs/dbraw/zinc/11/76/57/816117657.db2.gz OCDZDXUSFRUWRF-LJQANCHMSA-N 1 0 293.366 3.360 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001218186722 816119823 /nfs/dbraw/zinc/11/98/23/816119823.db2.gz GXAMTPUKHKEYLO-HOMQSWHASA-N 1 0 284.743 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OC2CCC3(C[NH2+]C3)CC2)c1 ZINC001218262300 816144701 /nfs/dbraw/zinc/14/47/01/816144701.db2.gz FUNWUPPMLMCCRB-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218305859 816158631 /nfs/dbraw/zinc/15/86/31/816158631.db2.gz FBOALPIEMBVYOV-LLVKDONJSA-N 1 0 296.754 3.302 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218309356 816160407 /nfs/dbraw/zinc/16/04/07/816160407.db2.gz OGJJVMSSWLWFRM-ZDUSSCGKSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]CC2(C)C)c(C)c(C)c1[N+](=O)[O-] ZINC001218317935 816164929 /nfs/dbraw/zinc/16/49/29/816164929.db2.gz RYYQVFANCVRDIC-AWEZNQCLSA-N 1 0 292.379 3.287 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218385809 816185598 /nfs/dbraw/zinc/18/55/98/816185598.db2.gz LVIWMFHSPPBUKD-BZNIZROVSA-N 1 0 264.328 3.127 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[C@H](C)[NH2+]C1 ZINC001218400516 816193682 /nfs/dbraw/zinc/19/36/82/816193682.db2.gz VICGWMIWJOOCFD-VHSXEESVSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001218475994 816233075 /nfs/dbraw/zinc/23/30/75/816233075.db2.gz HUZCUGQRKVJQHX-LBPRGKRZSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc2ccccc21 ZINC001222769922 816514774 /nfs/dbraw/zinc/51/47/74/816514774.db2.gz MGAMTDDZMQAKHE-AWEZNQCLSA-N 1 0 258.385 3.451 20 5 CGBDRO Cc1c(COC2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC001223330968 816607145 /nfs/dbraw/zinc/60/71/45/816607145.db2.gz FNKVWTSARBIYAD-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@H](O[C@@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429540 816628643 /nfs/dbraw/zinc/62/86/43/816628643.db2.gz LMKAPZITRDQBSH-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1noc(-c2ccccc2)c1CO[C@H](C)C[N+](C)(C)C ZINC001223759078 816677699 /nfs/dbraw/zinc/67/76/99/816677699.db2.gz KIZSCVNURLJNMP-CYBMUJFWSA-N 1 0 289.399 3.261 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1ncc(C(F)(F)F)cc1F ZINC001224776451 816879180 /nfs/dbraw/zinc/87/91/80/816879180.db2.gz VUTHOOVLFMKOAP-VIFPVBQESA-N 1 0 295.300 3.023 20 5 CGBDRO C[NH+](C)C1CCC(Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225712876 817153874 /nfs/dbraw/zinc/15/38/74/817153874.db2.gz LESJEBPNAPUFNO-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC001225916121 817215353 /nfs/dbraw/zinc/21/53/53/817215353.db2.gz NNQVVZLSRVSNEW-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO Cc1cc(C)c(O[C@@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001227116141 817563888 /nfs/dbraw/zinc/56/38/88/817563888.db2.gz KAHOLGRIAZVLAQ-AWEZNQCLSA-N 1 0 273.400 3.325 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227214678 817595032 /nfs/dbraw/zinc/59/50/32/817595032.db2.gz OKGMDXCHNALHJP-ZDUSSCGKSA-N 1 0 286.331 3.221 20 5 CGBDRO CC[C@@H](C)OC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227414184 817643654 /nfs/dbraw/zinc/64/36/54/817643654.db2.gz OPACITZCWKGFSB-KGLIPLIRSA-N 1 0 294.415 3.115 20 5 CGBDRO Cc1cccc(Br)c1O[C@@H](C)C[N+](C)(C)C ZINC001227808483 817727022 /nfs/dbraw/zinc/72/70/22/817727022.db2.gz OKRRHXJUVHFLGC-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228255226 817851571 /nfs/dbraw/zinc/85/15/71/817851571.db2.gz FDLCWEIHJMIMNI-GFCCVEGCSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1cc(F)c(OC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001234059780 818770548 /nfs/dbraw/zinc/77/05/48/818770548.db2.gz LHAFTQZRXHMEEZ-UHFFFAOYSA-N 1 0 296.342 3.294 20 5 CGBDRO CSc1cccc(F)c1O[C@H](C)C[N+](C)(C)C ZINC001234248193 818816236 /nfs/dbraw/zinc/81/62/36/818816236.db2.gz AXGNGZYFKUXMTE-SNVBAGLBSA-N 1 0 258.382 3.021 20 5 CGBDRO c1cnc2c(c1)cc(C1=CC[NH2+]CC1)c1cccnc12 ZINC001240469002 821076197 /nfs/dbraw/zinc/07/61/97/821076197.db2.gz PMVUEJPDMOHAQZ-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Br)C1 ZINC001338309660 936316691 /nfs/dbraw/zinc/31/66/91/936316691.db2.gz BBAYOQXUMAWUKK-SECBINFHSA-N 1 0 299.168 3.199 20 5 CGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330089604 935268308 /nfs/dbraw/zinc/26/83/08/935268308.db2.gz RUXVKFSMHNRBDA-ZIAGYGMSSA-N 1 0 280.393 3.311 20 5 CGBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1F ZINC001472760504 937107556 /nfs/dbraw/zinc/10/75/56/937107556.db2.gz YVNHDFYVCBTBHD-UHFFFAOYSA-N 1 0 297.374 3.292 20 5 CGBDRO CC[C@@H](C)[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588081 928533772 /nfs/dbraw/zinc/53/37/72/928533772.db2.gz ZSCHPNHUSJCDTI-IUODEOHRSA-N 1 0 280.368 3.088 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001229197184 932114932 /nfs/dbraw/zinc/11/49/32/932114932.db2.gz CSWDCINNVGQMFL-UHFFFAOYSA-N 1 0 296.342 3.294 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(N=O)c2cccnc12 ZINC001229948371 932506358 /nfs/dbraw/zinc/50/63/58/932506358.db2.gz MOKPZSYYEDXHKF-NSHDSACASA-N 1 0 274.344 3.106 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1Cl ZINC001229974818 932513454 /nfs/dbraw/zinc/51/34/54/932513454.db2.gz IVKFYELCHHCCCT-JTQLQIEISA-N 1 0 284.743 3.030 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)n(C2CCCCC2)n1 ZINC001230004124 932519598 /nfs/dbraw/zinc/51/95/98/932519598.db2.gz HVPSZGVMYZXFNQ-CQSZACIVSA-N 1 0 280.436 3.170 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2sccc21 ZINC001230213770 932542566 /nfs/dbraw/zinc/54/25/66/932542566.db2.gz KHGJAAJEDGNFGQ-NSHDSACASA-N 1 0 250.387 3.375 20 5 CGBDRO C[NH+]1CCC(Oc2ccc3ccccc3c2[N+](=O)[O-])CC1 ZINC001230622612 932600194 /nfs/dbraw/zinc/60/01/94/932600194.db2.gz LSNXXLCQZYOECX-UHFFFAOYSA-N 1 0 286.331 3.221 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C)c([N+](=O)[O-])cc1C ZINC001230724492 932614875 /nfs/dbraw/zinc/61/48/75/932614875.db2.gz XEEVFAQOSTZHDK-ZDUSSCGKSA-N 1 0 280.368 3.321 20 5 CGBDRO CCc1ccccc1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001462188358 937623841 /nfs/dbraw/zinc/62/38/41/937623841.db2.gz CLQSOOUGXNTVPS-UHFFFAOYSA-N 1 0 299.374 3.123 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001307139451 932768278 /nfs/dbraw/zinc/76/82/78/932768278.db2.gz IGZOFTPQFHIPOV-GFCCVEGCSA-N 1 0 297.786 3.167 20 5 CGBDRO C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307861415 933009254 /nfs/dbraw/zinc/00/92/54/933009254.db2.gz XGDFKTPEKHHAKK-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785281 933778533 /nfs/dbraw/zinc/77/85/33/933778533.db2.gz UJDOTHRDBZYSEX-QWHCGFSZSA-N 1 0 280.393 3.311 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC2(CC2(F)F)C1 ZINC001329801245 935246120 /nfs/dbraw/zinc/24/61/20/935246120.db2.gz UAWYSNUCMUDSBA-UHFFFAOYSA-N 1 0 296.317 3.489 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C=CCC1 ZINC001474249845 937846440 /nfs/dbraw/zinc/84/64/40/937846440.db2.gz VMAYGJLRJMYANI-GFCCVEGCSA-N 1 0 276.336 3.049 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC001559305426 938225134 /nfs/dbraw/zinc/22/51/34/938225134.db2.gz JFNMGERSFASKDB-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO CCC(CC)([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001559599069 938230628 /nfs/dbraw/zinc/23/06/28/938230628.db2.gz CURNXFQCBVSZDM-UHFFFAOYSA-N 1 0 270.760 3.222 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001560803831 938276744 /nfs/dbraw/zinc/27/67/44/938276744.db2.gz GZZDRNQIYIVORO-INIZCTEOSA-N 1 0 292.379 3.213 20 5 CGBDRO CC(=O)c1ccc(SCCCCCC[NH3+])c([N+](=O)[O-])c1 ZINC001575040781 962338804 /nfs/dbraw/zinc/33/88/04/962338804.db2.gz FNYGXERAMZDHDG-UHFFFAOYSA-N 1 0 296.392 3.409 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(C3CC3)CC2)c1 ZINC000590008616 346821676 /nfs/dbraw/zinc/82/16/76/346821676.db2.gz LCQZCIHKTKCLSO-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO Cc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040997599 282156186 /nfs/dbraw/zinc/15/61/86/282156186.db2.gz VWSWGDRQCZLPSA-SECBINFHSA-N 1 0 277.349 3.211 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000338016212 214362001 /nfs/dbraw/zinc/36/20/01/214362001.db2.gz JEALYGBNHDJORH-WFASDCNBSA-N 1 0 292.379 3.187 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000337372754 214035821 /nfs/dbraw/zinc/03/58/21/214035821.db2.gz DKZSYKCDYAGFCC-APHBMKBZSA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000591255925 346912422 /nfs/dbraw/zinc/91/24/22/346912422.db2.gz HHUUZIKXONMRGK-QXEWZRGKSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[C@H](NCC([NH3+])(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000423288066 529590522 /nfs/dbraw/zinc/59/05/22/529590522.db2.gz QIKZZZYYJMBNTG-AWEZNQCLSA-N 1 0 279.384 3.153 20 5 CGBDRO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347981 346916863 /nfs/dbraw/zinc/91/68/63/346916863.db2.gz OAXUMSRWRUXLPC-ONERCXAPSA-N 1 0 260.337 3.360 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000414077903 529628236 /nfs/dbraw/zinc/62/82/36/529628236.db2.gz QHRVZJWLHHZHBT-RTXFEEFZSA-N 1 0 278.352 3.128 20 5 CGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000444686042 529637439 /nfs/dbraw/zinc/63/74/39/529637439.db2.gz UOAMECNCKWRSKD-ZDUSSCGKSA-N 1 0 290.367 3.385 20 5 CGBDRO CCC[C@@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578099 346929814 /nfs/dbraw/zinc/92/98/14/346929814.db2.gz YYRKGQBVSISUNS-GDBMZVCRSA-N 1 0 291.395 3.168 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000126506007 187245112 /nfs/dbraw/zinc/24/51/12/187245112.db2.gz HILMPDUWMFRJHK-CQSZACIVSA-N 1 0 280.393 3.279 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000592374780 346980259 /nfs/dbraw/zinc/98/02/59/346980259.db2.gz ITMVHRKOLPFWJS-OKILXGFUSA-N 1 0 292.379 3.339 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592397515 346983725 /nfs/dbraw/zinc/98/37/25/346983725.db2.gz MRGWUUMFIICFII-WHOFXGATSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488661 346992831 /nfs/dbraw/zinc/99/28/31/346992831.db2.gz KXFWETPNMLOSTP-XJKCOSOUSA-N 1 0 291.395 3.023 20 5 CGBDRO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])cc1C ZINC000592531491 346997953 /nfs/dbraw/zinc/99/79/53/346997953.db2.gz VFHHWJBFDNKZLZ-UHFFFAOYSA-N 1 0 268.382 3.088 20 5 CGBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593070829 347035823 /nfs/dbraw/zinc/03/58/23/347035823.db2.gz XFXWVDGPOVOVLS-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO Cc1c(C[N@H+]2CCC[C@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000593054390 347033246 /nfs/dbraw/zinc/03/32/46/347033246.db2.gz CICFLGSXMSXKDS-HNNXBMFYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000037775570 344952365 /nfs/dbraw/zinc/95/23/65/344952365.db2.gz QFZBAXFUUWXGCH-LLVKDONJSA-N 1 0 272.304 3.151 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079366 344954602 /nfs/dbraw/zinc/95/46/02/344954602.db2.gz ISFLPBXTSAHYQQ-DOMZBBRYSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[N@@H+](Cc1cccc([N+](=O)[O-])c1C)CC(C)C ZINC000051740756 345092023 /nfs/dbraw/zinc/09/20/23/345092023.db2.gz AVMOHQYQRFWKQX-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO CCCC[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000052877749 345109120 /nfs/dbraw/zinc/10/91/20/345109120.db2.gz RXYJENOMNXHPDE-UHFFFAOYSA-N 1 0 294.351 3.083 20 5 CGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000058789691 345201823 /nfs/dbraw/zinc/20/18/23/345201823.db2.gz OTLMSJAOTNNJLU-OAHLLOKOSA-N 1 0 295.358 3.266 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000059371237 345207373 /nfs/dbraw/zinc/20/73/73/345207373.db2.gz VOMDSBDXRVDORH-UHFFFAOYSA-N 1 0 262.353 3.402 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065208254 345269580 /nfs/dbraw/zinc/26/95/80/345269580.db2.gz BIGWVZCTBGYCHU-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO CCCC[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533563 345274238 /nfs/dbraw/zinc/27/42/38/345274238.db2.gz LIQHAQQWKBSCFR-UHFFFAOYSA-N 1 0 266.341 3.096 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOC(C)(C)C ZINC000067716260 345330418 /nfs/dbraw/zinc/33/04/18/345330418.db2.gz RWSQEVFFQPEVLG-GFCCVEGCSA-N 1 0 280.368 3.403 20 5 CGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000131614290 232192559 /nfs/dbraw/zinc/19/25/59/232192559.db2.gz BQTXQQIATDDJDI-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090811323 345795236 /nfs/dbraw/zinc/79/52/36/345795236.db2.gz TZJIDALDPINAEM-DOMZBBRYSA-N 1 0 294.395 3.289 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000090910066 345797064 /nfs/dbraw/zinc/79/70/64/345797064.db2.gz KZIHVDQIOZMNJI-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CSCC[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129598536 346051117 /nfs/dbraw/zinc/05/11/17/346051117.db2.gz HWYLNFCHVUZXBP-OCCSQVGLSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311691026 346474809 /nfs/dbraw/zinc/47/48/09/346474809.db2.gz KIPILLBMISCXBL-ONGXEEELSA-N 1 0 270.279 3.433 20 5 CGBDRO CC(C)C([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000311755716 346474875 /nfs/dbraw/zinc/47/48/75/346474875.db2.gz ZUPFANLIOWKIRW-UHFFFAOYSA-N 1 0 264.369 3.408 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000388616908 346570996 /nfs/dbraw/zinc/57/09/96/346570996.db2.gz AZLHKLFUCAWSAZ-RISCZKNCSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CCC2)CC1 ZINC000586783192 346734882 /nfs/dbraw/zinc/73/48/82/346734882.db2.gz ADFNTGABODKEHV-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589608517 346802388 /nfs/dbraw/zinc/80/23/88/346802388.db2.gz LDJSDBLYXVLLOB-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)c1 ZINC000594026535 347139542 /nfs/dbraw/zinc/13/95/42/347139542.db2.gz LPQZASZMFMFYHK-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594045547 347144104 /nfs/dbraw/zinc/14/41/04/347144104.db2.gz ZJPNFGHMOVYGIZ-DZGCQCFKSA-N 1 0 278.352 3.032 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccco1 ZINC000594489573 347176770 /nfs/dbraw/zinc/17/67/70/347176770.db2.gz DCXRDFNOIRTTJF-AWEZNQCLSA-N 1 0 272.304 3.007 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594493985 347177475 /nfs/dbraw/zinc/17/74/75/347177475.db2.gz CXLPJDFJIPUIES-WCQYABFASA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccncc1 ZINC000594496655 347178778 /nfs/dbraw/zinc/17/87/78/347178778.db2.gz QGVUOXBOXJUDIA-WBMJQRKESA-N 1 0 297.358 3.370 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1COC(C)(C)C1 ZINC000594961097 347242413 /nfs/dbraw/zinc/24/24/13/347242413.db2.gz FEHYKCYYGVTXBV-WEKMIXOTSA-N 1 0 290.363 3.155 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3ccc(O)cc32)c1 ZINC000594978924 347247836 /nfs/dbraw/zinc/24/78/36/347247836.db2.gz DCJJPQGKENDBCU-INIZCTEOSA-N 1 0 284.315 3.078 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595106738 347284891 /nfs/dbraw/zinc/28/48/91/347284891.db2.gz KDLCYZHCLQBUHS-DGCLKSJQSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000595011759 347256693 /nfs/dbraw/zinc/25/66/93/347256693.db2.gz DJKBJKPSNAOEDU-JQWIXIFHSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000595018750 347258943 /nfs/dbraw/zinc/25/89/43/347258943.db2.gz FYTJQIFGOKBABR-VXGBXAGGSA-N 1 0 276.336 3.363 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C)CCC1 ZINC000595025467 347261237 /nfs/dbraw/zinc/26/12/37/347261237.db2.gz HSUHUERSJDQXES-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO C[C@@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056932 347272560 /nfs/dbraw/zinc/27/25/60/347272560.db2.gz SZGQVLGNLPVCIX-OCCSQVGLSA-N 1 0 291.395 3.118 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595756701 347351855 /nfs/dbraw/zinc/35/18/55/347351855.db2.gz VUXZALOMHZKVQF-LLVKDONJSA-N 1 0 284.306 3.306 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@H](CCF)C2)cccc1[N+](=O)[O-] ZINC000595755716 347351988 /nfs/dbraw/zinc/35/19/88/347351988.db2.gz OUOBMLBVEMZZIV-CYBMUJFWSA-N 1 0 280.343 3.475 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595756627 347352004 /nfs/dbraw/zinc/35/20/04/347352004.db2.gz UTUJRUUIXACRQC-GFCCVEGCSA-N 1 0 296.342 3.175 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(CCO)CCCC1 ZINC000595509876 347313589 /nfs/dbraw/zinc/31/35/89/347313589.db2.gz XWPOYPGQMXBXHR-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000595542841 347317585 /nfs/dbraw/zinc/31/75/85/347317585.db2.gz PHXDWZKWRQIRFL-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000595858856 347367958 /nfs/dbraw/zinc/36/79/58/347367958.db2.gz ZEHXEEDQBIYEQD-QXMXGUDHSA-N 1 0 260.337 3.358 20 5 CGBDRO Cc1ccc(OCc2cccc3c2CC[NH2+]C3)cc1[N+](=O)[O-] ZINC000596072136 347379890 /nfs/dbraw/zinc/37/98/90/347379890.db2.gz XAFAMWSWSWWXPC-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954742 347700992 /nfs/dbraw/zinc/70/09/92/347700992.db2.gz GHHBSMFBMCMNDS-TZMCWYRMSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598962729 347701677 /nfs/dbraw/zinc/70/16/77/347701677.db2.gz ILWDNEXXEFOPFB-RLCCDNCMSA-N 1 0 274.364 3.162 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2C[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000598977279 347703061 /nfs/dbraw/zinc/70/30/61/347703061.db2.gz ILLFAPRKJKQKDQ-CQDKDKBSSA-N 1 0 274.364 3.427 20 5 CGBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OCC ZINC000598989262 347704455 /nfs/dbraw/zinc/70/44/55/347704455.db2.gz FICHGVGSQNQBMD-ZDUSSCGKSA-N 1 0 284.331 3.029 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000598998060 347704653 /nfs/dbraw/zinc/70/46/53/347704653.db2.gz DEWHPIYJLWICSZ-DKNUZAJVSA-N 1 0 290.363 3.010 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]2C1 ZINC000599004825 347705764 /nfs/dbraw/zinc/70/57/64/347705764.db2.gz IGEVDAWHSHTMPG-NHAGDIPZSA-N 1 0 260.337 3.121 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000600214543 347794793 /nfs/dbraw/zinc/79/47/93/347794793.db2.gz AQRXGLSVRCBAJX-CSKARUKUSA-N 1 0 292.379 3.091 20 5 CGBDRO COCCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000600187671 347790837 /nfs/dbraw/zinc/79/08/37/347790837.db2.gz GFOAMYJLWMCUSD-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC12CC2 ZINC000601138657 347873886 /nfs/dbraw/zinc/87/38/86/347873886.db2.gz WBIIDLIRTWIEIM-AWEZNQCLSA-N 1 0 260.337 3.326 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601286821 347888911 /nfs/dbraw/zinc/88/89/11/347888911.db2.gz BQNJBSHJBSHUHG-JTQLQIEISA-N 1 0 254.305 3.302 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601288482 347888917 /nfs/dbraw/zinc/88/89/17/347888917.db2.gz YUGICGDGBBKOQH-SNVBAGLBSA-N 1 0 284.331 3.392 20 5 CGBDRO [NH3+]C[C@H]1CCN(Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000601965682 347930841 /nfs/dbraw/zinc/93/08/41/347930841.db2.gz XXBOAMRTKMYHHQ-CYBMUJFWSA-N 1 0 297.358 3.047 20 5 CGBDRO CC1(C)C[C@@]1(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602719592 348017257 /nfs/dbraw/zinc/01/72/57/348017257.db2.gz ZEBVQDKNDPRHHI-CQSZACIVSA-N 1 0 275.308 3.014 20 5 CGBDRO C/C=C\C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602723413 348017663 /nfs/dbraw/zinc/01/76/63/348017663.db2.gz GOPFNTNZNANSBM-IHWYPQMZSA-N 1 0 274.242 3.279 20 5 CGBDRO CCCC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCC1 ZINC000602808006 348032297 /nfs/dbraw/zinc/03/22/97/348032297.db2.gz YAHUBSNQFLFBKS-CQSZACIVSA-N 1 0 294.399 3.048 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)c1 ZINC000602853161 348037536 /nfs/dbraw/zinc/03/75/36/348037536.db2.gz HSSNQEBVKLMKEQ-INIZCTEOSA-N 1 0 297.358 3.369 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012312 348106690 /nfs/dbraw/zinc/10/66/90/348106690.db2.gz WAWGESKXDJXILP-ZDUSSCGKSA-N 1 0 280.368 3.484 20 5 CGBDRO CSc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000603419215 348081315 /nfs/dbraw/zinc/08/13/15/348081315.db2.gz BDHXQZVBLQDRRP-UHFFFAOYSA-N 1 0 292.360 3.242 20 5 CGBDRO C[N@H+](CCC(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000609577995 348348076 /nfs/dbraw/zinc/34/80/76/348348076.db2.gz DNRHZTQDWRCOAX-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3cccnc3c2)cc1 ZINC000608982440 348334865 /nfs/dbraw/zinc/33/48/65/348334865.db2.gz GSLQVJWPXJPGRG-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H]2C2CC2)cc1 ZINC000609133727 348337047 /nfs/dbraw/zinc/33/70/47/348337047.db2.gz ZCEBVOXFPIHNIG-MRXNPFEDSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1ncccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000609440302 348343849 /nfs/dbraw/zinc/34/38/49/348343849.db2.gz DAUOLGDACIVBOD-LLVKDONJSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000610582771 348391353 /nfs/dbraw/zinc/39/13/53/348391353.db2.gz YPPCQPVVZWQRQH-QWRGUYRKSA-N 1 0 289.335 3.356 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581404 348391363 /nfs/dbraw/zinc/39/13/63/348391363.db2.gz SXUQROGBQMOTKM-SNVBAGLBSA-N 1 0 275.308 3.110 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580944 348391414 /nfs/dbraw/zinc/39/14/14/348391414.db2.gz JXGNCKCMQUCCIB-ZDUSSCGKSA-N 1 0 289.335 3.356 20 5 CGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC(C)(C)C ZINC000611274709 348434402 /nfs/dbraw/zinc/43/44/02/348434402.db2.gz KOSQDZNBLOQYAL-CLFYSBASSA-N 1 0 292.379 3.355 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2CCC3(CC3)CC2)cc1 ZINC000611177751 348426106 /nfs/dbraw/zinc/42/61/06/348426106.db2.gz ZQEAFGIUWLDZEI-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO C[C@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000611411752 348448779 /nfs/dbraw/zinc/44/87/79/348448779.db2.gz YQYDBYUESVIMLL-WDEREUQCSA-N 1 0 283.397 3.331 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000617196468 348928291 /nfs/dbraw/zinc/92/82/91/348928291.db2.gz SZQJZRGYJXGUAA-AWEZNQCLSA-N 1 0 290.363 3.368 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000618987643 349192221 /nfs/dbraw/zinc/19/22/21/349192221.db2.gz RHLAWFLMXVJMEU-CQSZACIVSA-N 1 0 260.337 3.459 20 5 CGBDRO CC1(C)CCCC[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000119931696 186863238 /nfs/dbraw/zinc/86/32/38/186863238.db2.gz HSCAAWLFXVOJMZ-HUUCEWRRSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)([NH2+]Cc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000291713734 198067542 /nfs/dbraw/zinc/06/75/42/198067542.db2.gz LPKYCKXBQGGFLM-UHFFFAOYSA-N 1 0 271.320 3.015 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000122267430 187023384 /nfs/dbraw/zinc/02/33/84/187023384.db2.gz ZGIOUSLADRJHOV-ZDUSSCGKSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122830450 187054368 /nfs/dbraw/zinc/05/43/68/187054368.db2.gz RAJLZVCDTBNNJV-ONGXEEELSA-N 1 0 295.770 3.285 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000122936496 187061007 /nfs/dbraw/zinc/06/10/07/187061007.db2.gz MNNPCJMAQJIYBT-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO COCC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364156823 234024180 /nfs/dbraw/zinc/02/41/80/234024180.db2.gz DKBPCULZYGGPCR-AWEZNQCLSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCSC1 ZINC000271523906 191191412 /nfs/dbraw/zinc/19/14/12/191191412.db2.gz QXIVHSRBFOOKKL-DGCLKSJQSA-N 1 0 280.393 3.011 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000292380548 198266023 /nfs/dbraw/zinc/26/60/23/198266023.db2.gz JOEGUXLOVASGES-LLVKDONJSA-N 1 0 298.383 3.309 20 5 CGBDRO C[NH+]1CCC(CNc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000050352241 137913288 /nfs/dbraw/zinc/91/32/88/137913288.db2.gz KQVURMLLRNQJPT-UHFFFAOYSA-N 1 0 283.759 3.002 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000165116983 188629666 /nfs/dbraw/zinc/62/96/66/188629666.db2.gz UIJUUGVDNSRLEX-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO CCC(CC)(CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173458627 188855404 /nfs/dbraw/zinc/85/54/04/188855404.db2.gz WMFKBSHVCHDZET-CYBMUJFWSA-N 1 0 294.395 3.434 20 5 CGBDRO Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413434377 235277389 /nfs/dbraw/zinc/27/73/89/235277389.db2.gz GBBUOLQSWNNLKA-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000414311130 235385286 /nfs/dbraw/zinc/38/52/86/235385286.db2.gz IECLBSUNAWWURI-NWDGAFQWSA-N 1 0 278.352 3.203 20 5 CGBDRO C[NH+](C)C1(CNc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000097934404 138349475 /nfs/dbraw/zinc/34/94/75/138349475.db2.gz YSHUWFLESKJPIL-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000105448137 138352203 /nfs/dbraw/zinc/35/22/03/138352203.db2.gz FIPRYOYPDXQQCJ-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC[NH+]1CCC(C)CC1 ZINC000112209050 138364787 /nfs/dbraw/zinc/36/47/87/138364787.db2.gz FGENDRWHSXMTHQ-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128833203 138394910 /nfs/dbraw/zinc/39/49/10/138394910.db2.gz CFBAGTGYUKNMPZ-NWDGAFQWSA-N 1 0 295.770 3.287 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426455466 236295473 /nfs/dbraw/zinc/29/54/73/236295473.db2.gz SQZNDHCEJOPCIM-DOMZBBRYSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@H](CCCCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296537918 199923943 /nfs/dbraw/zinc/92/39/43/199923943.db2.gz QUVFMYPKEFNNCU-WBMJQRKESA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@@H]([NH2+]CCCC(C)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297430495 200187838 /nfs/dbraw/zinc/18/78/38/200187838.db2.gz VGMLSYWFZPZEQV-SECBINFHSA-N 1 0 287.310 3.263 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000178062759 189088762 /nfs/dbraw/zinc/08/87/62/189088762.db2.gz OMQODYLKIWLXBY-AEAUEXCSSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178435233 189116453 /nfs/dbraw/zinc/11/64/53/189116453.db2.gz FTHORJGJLLAGNX-BXUZGUMPSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2(F)CCC2)cs1 ZINC000342221347 216267177 /nfs/dbraw/zinc/26/71/77/216267177.db2.gz UBZPFXZITBIXHH-UHFFFAOYSA-N 1 0 258.318 3.028 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342269912 216284931 /nfs/dbraw/zinc/28/49/31/216284931.db2.gz ABAJOUOKDBMQDR-QMVVBGKPSA-N 1 0 264.300 3.088 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC(C(F)(F)F)C2)c1 ZINC000342294587 216297218 /nfs/dbraw/zinc/29/72/18/216297218.db2.gz HYORRXZFYQXTRN-UHFFFAOYSA-N 1 0 274.242 3.025 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000181138362 189288959 /nfs/dbraw/zinc/28/89/59/189288959.db2.gz CEHMMLCMPMNYBK-DOMZBBRYSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000181488261 189297787 /nfs/dbraw/zinc/29/77/87/189297787.db2.gz DGJMITHVZRHRRO-ZDUSSCGKSA-N 1 0 285.347 3.273 20 5 CGBDRO CCCC[N@H+](CCCO)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182156903 189315646 /nfs/dbraw/zinc/31/56/46/189315646.db2.gz HBCGXAIQHWKCCR-CYBMUJFWSA-N 1 0 280.368 3.140 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301607085 201091958 /nfs/dbraw/zinc/09/19/58/201091958.db2.gz NMWPCIJSXKNCRJ-LBPRGKRZSA-N 1 0 295.358 3.124 20 5 CGBDRO Cc1ccc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC000301781378 201193210 /nfs/dbraw/zinc/19/32/10/201193210.db2.gz JNGDXCCWWLCBBN-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1ccccc1 ZINC000301928666 201266892 /nfs/dbraw/zinc/26/68/92/201266892.db2.gz JBLUDWYNSUHPSR-CYBMUJFWSA-N 1 0 291.376 3.371 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451490882 240312621 /nfs/dbraw/zinc/31/26/21/240312621.db2.gz OXSDXXDXZKZTKA-ZFWWWQNUSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC2(C1)CCCC2 ZINC000485304458 243330243 /nfs/dbraw/zinc/33/02/43/243330243.db2.gz PEVLAEYONJHRBH-FNORWQNLSA-N 1 0 272.348 3.484 20 5 CGBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562868 369089314 /nfs/dbraw/zinc/08/93/14/369089314.db2.gz PJWGGMULWNOXPY-VIFPVBQESA-N 1 0 282.390 3.439 20 5 CGBDRO CC[C@H](NCCC[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000037010445 369049766 /nfs/dbraw/zinc/04/97/66/369049766.db2.gz DKDGEZVNJSRDGZ-INIZCTEOSA-N 1 0 293.411 3.367 20 5 CGBDRO Cc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037797667 369115470 /nfs/dbraw/zinc/11/54/70/369115470.db2.gz PWTBJTSACHBOOY-VIFPVBQESA-N 1 0 277.349 3.211 20 5 CGBDRO C[C@H]([NH2+]C1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000037775625 369109696 /nfs/dbraw/zinc/10/96/96/369109696.db2.gz ONECVQBDFOCPDB-JTQLQIEISA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000037999261 369137786 /nfs/dbraw/zinc/13/77/86/369137786.db2.gz WOMPDAJVXSTMHG-CYBMUJFWSA-N 1 0 277.368 3.129 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000492908727 244047703 /nfs/dbraw/zinc/04/77/03/244047703.db2.gz AQVHLIFJUBWKRL-AWEZNQCLSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000339076187 299398959 /nfs/dbraw/zinc/39/89/59/299398959.db2.gz WFHCGXCSDVVQHC-RNJOBUHISA-N 1 0 278.352 3.201 20 5 CGBDRO C[C@H](CCc1ccco1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000048548657 369358165 /nfs/dbraw/zinc/35/81/65/369358165.db2.gz CCQBHZBAQJRUAZ-CYBMUJFWSA-N 1 0 288.347 3.341 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCO1 ZINC000048953924 369376526 /nfs/dbraw/zinc/37/65/26/369376526.db2.gz NQCLNNRFIKIVSO-GFCCVEGCSA-N 1 0 298.770 3.249 20 5 CGBDRO Cc1cc(F)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000050576534 369441022 /nfs/dbraw/zinc/44/10/22/369441022.db2.gz XLQONAXBZBDTTN-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174634 369497322 /nfs/dbraw/zinc/49/73/22/369497322.db2.gz LYXJRIHBFYOABH-VIFPVBQESA-N 1 0 266.366 3.419 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000061588489 369602897 /nfs/dbraw/zinc/60/28/97/369602897.db2.gz YDYMGYPNSIITON-JQWIXIFHSA-N 1 0 266.366 3.141 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093760947 370156637 /nfs/dbraw/zinc/15/66/37/370156637.db2.gz JBAHEDHMAOAKCK-CYBMUJFWSA-N 1 0 280.393 3.231 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000512209138 245024827 /nfs/dbraw/zinc/02/48/27/245024827.db2.gz MVOUUFBALVDSIH-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO COCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000117874400 370601644 /nfs/dbraw/zinc/60/16/44/370601644.db2.gz HHKCIEBXFUXHDV-UHFFFAOYSA-N 1 0 280.368 3.232 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NCC[NH+]1CCCCCC1 ZINC000131511637 371112550 /nfs/dbraw/zinc/11/25/50/371112550.db2.gz WDRDTAKCNNESFU-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000135486507 371431921 /nfs/dbraw/zinc/43/19/21/371431921.db2.gz GCBACPJWRMYZEM-ZDUSSCGKSA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1ccc([C@@H](C)N[C@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139029079 371506560 /nfs/dbraw/zinc/50/65/60/371506560.db2.gz GNDLIFBAONYGRM-GHMZBOCLSA-N 1 0 274.324 3.038 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000421835653 371659347 /nfs/dbraw/zinc/65/93/47/371659347.db2.gz FLHGPGDPUXXZFY-CYBMUJFWSA-N 1 0 292.379 3.341 20 5 CGBDRO CC(C)[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290920055 372074194 /nfs/dbraw/zinc/07/41/94/372074194.db2.gz QJISHBYIQVGTKI-UHFFFAOYSA-N 1 0 263.124 3.400 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000161240837 372312522 /nfs/dbraw/zinc/31/25/22/372312522.db2.gz VHVUAKNAJCVVQL-SNVBAGLBSA-N 1 0 286.372 3.307 20 5 CGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344322026 217149561 /nfs/dbraw/zinc/14/95/61/217149561.db2.gz FENAGAJAROUHQF-RISCZKNCSA-N 1 0 298.770 3.153 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000162712768 372411983 /nfs/dbraw/zinc/41/19/83/372411983.db2.gz GQQBZWQFZOMQTK-JTQLQIEISA-N 1 0 254.355 3.325 20 5 CGBDRO C[C@H]([NH2+]CCc1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293746506 372466080 /nfs/dbraw/zinc/46/60/80/372466080.db2.gz NVRNTZDILFTJGC-JTQLQIEISA-N 1 0 291.376 3.132 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344449916 217194620 /nfs/dbraw/zinc/19/46/20/217194620.db2.gz QAAMBMPEQVPJHH-VGVVRCBHSA-N 1 0 260.337 3.244 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165452511 372550927 /nfs/dbraw/zinc/55/09/27/372550927.db2.gz GUCNIHDOHMUAKM-CABCVRRESA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000432787506 372572063 /nfs/dbraw/zinc/57/20/63/372572063.db2.gz GXQVXKFFXKANSG-GFCCVEGCSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@H]([NH2+]CCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000294258027 372630088 /nfs/dbraw/zinc/63/00/88/372630088.db2.gz QOZOSBGTERYVLP-VIFPVBQESA-N 1 0 258.268 3.291 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC(C)(C)C1 ZINC000434908381 372718689 /nfs/dbraw/zinc/71/86/89/372718689.db2.gz ADKLCLATERLTQX-NSHDSACASA-N 1 0 280.393 3.483 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000171842572 372838705 /nfs/dbraw/zinc/83/87/05/372838705.db2.gz WBVBCILNNZDLAG-MRXNPFEDSA-N 1 0 294.395 3.215 20 5 CGBDRO CC(C)[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000438322579 372924334 /nfs/dbraw/zinc/92/43/34/372924334.db2.gz BIXKPRNRLKGYGW-ZDUSSCGKSA-N 1 0 262.353 3.463 20 5 CGBDRO CO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852388 372935628 /nfs/dbraw/zinc/93/56/28/372935628.db2.gz DQGXSESYTPLSAD-WFASDCNBSA-N 1 0 292.379 3.403 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC(F)(F)C2)cs1 ZINC000344777109 217307089 /nfs/dbraw/zinc/30/70/89/217307089.db2.gz RPRPSZFMPRKCLF-VIFPVBQESA-N 1 0 276.308 3.324 20 5 CGBDRO CC(C)n1nccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296133872 373032007 /nfs/dbraw/zinc/03/20/07/373032007.db2.gz URBTVDHZAZNHPU-LBPRGKRZSA-N 1 0 288.351 3.223 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444647395 373218766 /nfs/dbraw/zinc/21/87/66/373218766.db2.gz FAEJAUOVWFNEIE-MNOVXSKESA-N 1 0 288.351 3.092 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642269 373219510 /nfs/dbraw/zinc/21/95/10/373219510.db2.gz SVEGTROFKDAAIY-LLVKDONJSA-N 1 0 290.367 3.339 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296558628 373176093 /nfs/dbraw/zinc/17/60/93/373176093.db2.gz SBUWXWSHJIXJKA-WFASDCNBSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H](C)CC[NH+](C)C ZINC000444829527 373280997 /nfs/dbraw/zinc/28/09/97/373280997.db2.gz YGTLDRGYFZBGNR-SNVBAGLBSA-N 1 0 285.775 3.309 20 5 CGBDRO CC1CC[NH+](CCCNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000301066026 373646230 /nfs/dbraw/zinc/64/62/30/373646230.db2.gz DMWBTNAXOXMSAT-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449425570 373698189 /nfs/dbraw/zinc/69/81/89/373698189.db2.gz HVWLEPXSWUATJQ-ONOODXEBSA-N 1 0 272.348 3.482 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCc2cscn2)cccc1[N+](=O)[O-] ZINC000178472713 373782788 /nfs/dbraw/zinc/78/27/88/373782788.db2.gz JNBKNRQLYKXTID-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181523328 374135323 /nfs/dbraw/zinc/13/53/23/374135323.db2.gz DQFRQHFGCMTOBX-UKRRQHHQSA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCCC1)C1CC1 ZINC000181996554 374202406 /nfs/dbraw/zinc/20/24/06/374202406.db2.gz YNZXCDZJVYWJJQ-HNNXBMFYSA-N 1 0 274.364 3.448 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC000311148145 374233331 /nfs/dbraw/zinc/23/33/31/374233331.db2.gz NYJLHFVLCDWTTH-NSHDSACASA-N 1 0 270.279 3.120 20 5 CGBDRO CCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311046653 374230869 /nfs/dbraw/zinc/23/08/69/374230869.db2.gz HJRIEEALOYDTMU-UHFFFAOYSA-N 1 0 254.305 3.260 20 5 CGBDRO CCC[NH+](CCC)Cc1ccc([N+](=O)[O-])cc1F ZINC000311010802 374231100 /nfs/dbraw/zinc/23/11/00/374231100.db2.gz ZUALJLRITQHJHR-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CCC1 ZINC000311797355 374257327 /nfs/dbraw/zinc/25/73/27/374257327.db2.gz ZGLRCHAYDGWLLF-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000311389452 374239087 /nfs/dbraw/zinc/23/90/87/374239087.db2.gz CHESFOXOIWZZBS-SNVBAGLBSA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000182746333 374320159 /nfs/dbraw/zinc/32/01/59/374320159.db2.gz ZGOOQVKMTWNFRF-VXGBXAGGSA-N 1 0 280.393 3.402 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@](C)(O)CCC(C)C ZINC000183481485 374418990 /nfs/dbraw/zinc/41/89/90/374418990.db2.gz BIYDNKNPZMZBAB-MRXNPFEDSA-N 1 0 294.395 3.180 20 5 CGBDRO COCC1(C)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000330662924 374488598 /nfs/dbraw/zinc/48/85/98/374488598.db2.gz WQMGMAAUDXLCNV-ZDUSSCGKSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000331153521 374508129 /nfs/dbraw/zinc/50/81/29/374508129.db2.gz IKQCICXUPUFINT-VBNZEHGJSA-N 1 0 292.379 3.105 20 5 CGBDRO CSCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185162416 374599670 /nfs/dbraw/zinc/59/96/70/374599670.db2.gz QRWHPFMPWRCBRP-UHFFFAOYSA-N 1 0 268.382 3.218 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678278 374891685 /nfs/dbraw/zinc/89/16/85/374891685.db2.gz ONZPKDFMCDXVCP-LLVKDONJSA-N 1 0 296.342 3.220 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000468617669 374982815 /nfs/dbraw/zinc/98/28/15/374982815.db2.gz IKJRANDGJXHIQU-UGQYRENISA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000187651999 375064171 /nfs/dbraw/zinc/06/41/71/375064171.db2.gz CNCFNTXYSLZXJK-SMDDNHRTSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000192348938 375736002 /nfs/dbraw/zinc/73/60/02/375736002.db2.gz IPDOTKBLAZYLRQ-OAHLLOKOSA-N 1 0 298.342 3.468 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccccn1)CCC2 ZINC000192592199 375768241 /nfs/dbraw/zinc/76/82/41/375768241.db2.gz WDUKPRODQMQLKK-KRWDZBQOSA-N 1 0 297.358 3.200 20 5 CGBDRO CCC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000509161225 375773908 /nfs/dbraw/zinc/77/39/08/375773908.db2.gz AQDKIZNWFRFCDW-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000512186485 375794273 /nfs/dbraw/zinc/79/42/73/375794273.db2.gz VYWUFLUDWNKYOZ-CYBMUJFWSA-N 1 0 262.353 3.402 20 5 CGBDRO CCC(CC)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000536673944 376119402 /nfs/dbraw/zinc/11/94/02/376119402.db2.gz FMEPCGUDUXQHIC-UHFFFAOYSA-N 1 0 262.353 3.389 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000221596114 376217580 /nfs/dbraw/zinc/21/75/80/376217580.db2.gz TWJUEAPLEZIPIJ-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(C2CC2)CC1 ZINC000539514721 376316763 /nfs/dbraw/zinc/31/67/63/376316763.db2.gz YXBIFFDRLXILIA-HWKANZROSA-N 1 0 258.321 3.140 20 5 CGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888167 376416897 /nfs/dbraw/zinc/41/68/97/376416897.db2.gz VVIDTYWERTXNTL-JTQLQIEISA-N 1 0 299.321 3.159 20 5 CGBDRO COCCCCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000228484351 376438523 /nfs/dbraw/zinc/43/85/23/376438523.db2.gz RECGJTXDMGPNJA-UHFFFAOYSA-N 1 0 289.335 3.290 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000228564024 376441931 /nfs/dbraw/zinc/44/19/31/376441931.db2.gz CWANEDXUMDVIIV-VIFPVBQESA-N 1 0 286.784 3.091 20 5 CGBDRO CCC[N@H+](CC)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000229328572 376462643 /nfs/dbraw/zinc/46/26/43/376462643.db2.gz PEEQESANMPWESL-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC000542254011 376525732 /nfs/dbraw/zinc/52/57/32/376525732.db2.gz VZJNPQBUGFBACZ-GFCCVEGCSA-N 1 0 262.353 3.463 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338963120 376604035 /nfs/dbraw/zinc/60/40/35/376604035.db2.gz LTRMMIMXTHFSEY-CQSZACIVSA-N 1 0 278.352 3.311 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[C@H]1F)CCC2 ZINC000557341807 376931208 /nfs/dbraw/zinc/93/12/08/376931208.db2.gz MARVAWODRBQGTO-ILXRZTDVSA-N 1 0 278.327 3.452 20 5 CGBDRO CC/C=C\CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740736 377041194 /nfs/dbraw/zinc/04/11/94/377041194.db2.gz OCKFBZYUXDJFQO-PLNGDYQASA-N 1 0 262.353 3.425 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000340520986 377118542 /nfs/dbraw/zinc/11/85/42/377118542.db2.gz AMSVNTOYLUHEQX-BIMULSAOSA-N 1 0 252.289 3.136 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H](C)F ZINC000559895341 377105388 /nfs/dbraw/zinc/10/53/88/377105388.db2.gz YJDMTZJRJXMSNM-QWRGUYRKSA-N 1 0 254.305 3.302 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000563365188 377450669 /nfs/dbraw/zinc/45/06/69/377450669.db2.gz AUBBKFPZODQBGV-LBPRGKRZSA-N 1 0 275.308 3.014 20 5 CGBDRO CC1=CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000518580800 249283342 /nfs/dbraw/zinc/28/33/42/249283342.db2.gz NHMLSJNXZJBTNW-ZDUSSCGKSA-N 1 0 276.336 3.062 20 5 CGBDRO CC1CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000574551585 377678947 /nfs/dbraw/zinc/67/89/47/377678947.db2.gz LEQFFMAFPOLBNW-UHFFFAOYSA-N 1 0 273.336 3.007 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000255470949 377760161 /nfs/dbraw/zinc/76/01/61/377760161.db2.gz MVZJAASWHRAVCT-WFMXKNRHSA-N 1 0 260.337 3.338 20 5 CGBDRO C[C@@H]1CSCCN1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255619665 377770040 /nfs/dbraw/zinc/77/00/40/377770040.db2.gz UMAZFLNFHBUBOU-TXNVCOODSA-N 1 0 278.377 3.045 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)cs1 ZINC000343006449 377880074 /nfs/dbraw/zinc/88/00/74/377880074.db2.gz BANZCZZWRHESMX-GFCCVEGCSA-N 1 0 266.366 3.421 20 5 CGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000270529425 378364905 /nfs/dbraw/zinc/36/49/05/378364905.db2.gz OGIUFWQWIIJXLQ-LLVKDONJSA-N 1 0 286.784 3.186 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000271944602 378525430 /nfs/dbraw/zinc/52/54/30/378525430.db2.gz WPPMIXIHYQQIPS-YWPYICTPSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000272170428 378577589 /nfs/dbraw/zinc/57/75/89/378577589.db2.gz WGGWELYQIHRZKV-DYEKYZERSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C2CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000277175026 379089620 /nfs/dbraw/zinc/08/96/20/379089620.db2.gz SKCXNNKYSSSBKX-SECBINFHSA-N 1 0 270.279 3.352 20 5 CGBDRO COC1(C[C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277223366 379103993 /nfs/dbraw/zinc/10/39/93/379103993.db2.gz YBHQBDVTXDESDV-LBPRGKRZSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1cc(NC2CC([NH+]3CCCCC3)C2)ccc1[N+](=O)[O-] ZINC000373679535 379319441 /nfs/dbraw/zinc/31/94/41/379319441.db2.gz FXGYJPSCKICHQT-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000266774720 190280001 /nfs/dbraw/zinc/28/00/01/190280001.db2.gz KSNZBKCRCKRNHN-LLVKDONJSA-N 1 0 291.376 3.335 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279872725 379540383 /nfs/dbraw/zinc/54/03/83/379540383.db2.gz CBXLZXHMAZHBIM-BBRMVZONSA-N 1 0 292.379 3.201 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CCCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000280090446 379603024 /nfs/dbraw/zinc/60/30/24/379603024.db2.gz NOETZKHLEIKWJT-HNNXBMFYSA-N 1 0 292.379 3.069 20 5 CGBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000266911172 190290101 /nfs/dbraw/zinc/29/01/01/190290101.db2.gz LOJDLBXZOWNFMF-UHFFFAOYSA-N 1 0 254.717 3.090 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000388592203 379890312 /nfs/dbraw/zinc/89/03/12/379890312.db2.gz BCUMGSSIAMBHGW-JSGCOSHPSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cccc1[N+](=O)[O-] ZINC000571349191 322296405 /nfs/dbraw/zinc/29/64/05/322296405.db2.gz GSSQEZBOKRUNSI-KGYLQXTDSA-N 1 0 266.316 3.444 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H](C)O1 ZINC000414519863 380293291 /nfs/dbraw/zinc/29/32/91/380293291.db2.gz UVPWYCJRKMXTCI-CKYFFXLPSA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c(F)c1 ZINC000355114284 380580670 /nfs/dbraw/zinc/58/06/70/380580670.db2.gz UKKXXAXDYUZHLU-QMTHXVAHSA-N 1 0 264.300 3.108 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000421373905 380911962 /nfs/dbraw/zinc/91/19/62/380911962.db2.gz FFUXPCMPCYBSHN-VHDGCEQUSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cc(C)n1 ZINC000421387293 380933255 /nfs/dbraw/zinc/93/32/55/380933255.db2.gz SJELQBIYPDPPTL-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000357725816 381266105 /nfs/dbraw/zinc/26/61/05/381266105.db2.gz DJUNHYMPEUUDCQ-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000361616776 381839803 /nfs/dbraw/zinc/83/98/03/381839803.db2.gz PMSAJCDEERMJBM-GHMZBOCLSA-N 1 0 296.342 3.220 20 5 CGBDRO CC[N@H+](C[C@@H]1CCCO1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727906 285031235 /nfs/dbraw/zinc/03/12/35/285031235.db2.gz MKMRDUCMTHWCSF-HIFRSBDPSA-N 1 0 292.379 3.465 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CCOCC3)cc1 ZINC000282560544 285115752 /nfs/dbraw/zinc/11/57/52/285115752.db2.gz DQNBRGNWQGZNAE-HNNXBMFYSA-N 1 0 290.363 3.034 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350341943 219010135 /nfs/dbraw/zinc/01/01/35/219010135.db2.gz LUOVSMMKPMZSOB-SWLSCSKDSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCSC1)CCC2 ZINC000408366465 285145476 /nfs/dbraw/zinc/14/54/76/285145476.db2.gz OLSYYQXNRPKBFF-SWLSCSKDSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000150891708 285162783 /nfs/dbraw/zinc/16/27/83/285162783.db2.gz CYYBJVQAGDEQBD-AWEZNQCLSA-N 1 0 289.379 3.050 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCSC1 ZINC000288338973 197054745 /nfs/dbraw/zinc/05/47/45/197054745.db2.gz BCZRMWBQRWAOAA-LBPRGKRZSA-N 1 0 280.393 3.136 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303579 195190052 /nfs/dbraw/zinc/19/00/52/195190052.db2.gz HPSLGDGHBKYNNE-HIFRSBDPSA-N 1 0 292.379 3.465 20 5 CGBDRO CCOc1cc(C[N@H+](C)CCCSC)ccc1[N+](=O)[O-] ZINC000281321288 195196967 /nfs/dbraw/zinc/19/69/67/195196967.db2.gz IQHUXDAEZYLDJE-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414186636 533305898 /nfs/dbraw/zinc/30/58/98/533305898.db2.gz CUUPBQZGLLLGST-AAEUAGOBSA-N 1 0 280.368 3.226 20 5 CGBDRO C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423404218 533424442 /nfs/dbraw/zinc/42/44/42/533424442.db2.gz ZNDVGQDQRPULPD-DOMZBBRYSA-N 1 0 291.395 3.024 20 5 CGBDRO C[C@@H](N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000423451395 533515574 /nfs/dbraw/zinc/51/55/74/533515574.db2.gz UXGWWBOTRDBJTO-AHIWAGSCSA-N 1 0 299.374 3.010 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@H]2CCCO2)C2CC2)cc1 ZINC000189791783 130023378 /nfs/dbraw/zinc/02/33/78/130023378.db2.gz HJMHAKPISRIRHA-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO CCOC1CC(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000191026033 130173738 /nfs/dbraw/zinc/17/37/38/130173738.db2.gz LAJYYUCLSDYIHM-VEAWUBTESA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000059402361 392117378 /nfs/dbraw/zinc/11/73/78/392117378.db2.gz IXBXOXAOJLRINV-GFCCVEGCSA-N 1 0 295.358 3.268 20 5 CGBDRO CCCO[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000108393786 392342339 /nfs/dbraw/zinc/34/23/39/392342339.db2.gz UYXUVDCZIYDFHD-INIZCTEOSA-N 1 0 292.379 3.376 20 5 CGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000361900602 392357696 /nfs/dbraw/zinc/35/76/96/392357696.db2.gz NXHIMSXJOIIXRY-RYUDHWBXSA-N 1 0 298.408 3.338 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576889 392547934 /nfs/dbraw/zinc/54/79/34/392547934.db2.gz PXIVNDMNFXNQQC-INWMFGNUSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000332071364 392696911 /nfs/dbraw/zinc/69/69/11/392696911.db2.gz VROGFCDZFVSFSO-IFUGULHKSA-N 1 0 292.404 3.456 20 5 CGBDRO CC(C)O[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000404573293 392967346 /nfs/dbraw/zinc/96/73/46/392967346.db2.gz JIMSQXRTVFVRKU-CQSZACIVSA-N 1 0 296.342 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3c(c2)CCCN3)c1 ZINC000414976169 393074384 /nfs/dbraw/zinc/07/43/84/393074384.db2.gz NOKCFZLGVWIREG-UHFFFAOYSA-N 1 0 297.358 3.243 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935589 393075238 /nfs/dbraw/zinc/07/52/38/393075238.db2.gz KOKDDOQQGLHIJG-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1C[C@@H](C)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547769145 393146789 /nfs/dbraw/zinc/14/67/89/393146789.db2.gz ZVGGIVUMIOFBRR-GHMZBOCLSA-N 1 0 287.319 3.233 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccn1C ZINC000470177212 393232009 /nfs/dbraw/zinc/23/20/09/393232009.db2.gz QJYFEAKKROKDJX-UVTDQMKNSA-N 1 0 299.374 3.469 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000270631661 393239833 /nfs/dbraw/zinc/23/98/33/393239833.db2.gz HPWFNNMFMJAEKG-ZFWWWQNUSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000355282558 393288893 /nfs/dbraw/zinc/28/88/93/393288893.db2.gz YYPKSCFFEUXJHX-GXTWGEPZSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCc1ccccc1F ZINC000475561421 393407847 /nfs/dbraw/zinc/40/78/47/393407847.db2.gz YVTOCPYVNWQQCY-UHFFFAOYSA-N 1 0 288.322 3.456 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000281912827 393368276 /nfs/dbraw/zinc/36/82/76/393368276.db2.gz AAZCHRQEALSPQB-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO [NH3+]CCCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420243550 393442816 /nfs/dbraw/zinc/44/28/16/393442816.db2.gz XWXSVTPOFDMUTE-UHFFFAOYSA-N 1 0 278.139 3.052 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@@H](C)C1 ZINC000488241335 393472671 /nfs/dbraw/zinc/47/26/71/393472671.db2.gz DDRJSYNMXKQWNT-RYUDHWBXSA-N 1 0 280.393 3.341 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420401066 393484010 /nfs/dbraw/zinc/48/40/10/393484010.db2.gz KLWBWBWNCIHYBE-WFASDCNBSA-N 1 0 297.358 3.046 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000429581160 393488731 /nfs/dbraw/zinc/48/87/31/393488731.db2.gz YEBPVZYTFHPFOJ-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO CC1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000358187497 393521423 /nfs/dbraw/zinc/52/14/23/393521423.db2.gz JWVAIHLPFZWHIC-CQSZACIVSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@H]1C[C@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488510386 393529958 /nfs/dbraw/zinc/52/99/58/393529958.db2.gz BACNBFJHJRQLMU-ONGXEEELSA-N 1 0 268.744 3.036 20 5 CGBDRO CC[C@H]1CC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430185106 393534575 /nfs/dbraw/zinc/53/45/75/393534575.db2.gz CGXIQMYXQQBTFZ-UQTJOTSZSA-N 1 0 260.337 3.482 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194773 393535968 /nfs/dbraw/zinc/53/59/68/393535968.db2.gz KXOAIQZCWSALDE-LLVKDONJSA-N 1 0 266.341 3.081 20 5 CGBDRO CCC(C)(C)CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000489044065 393572643 /nfs/dbraw/zinc/57/26/43/393572643.db2.gz OZNJGPHQUOXCRD-UHFFFAOYSA-N 1 0 294.399 3.255 20 5 CGBDRO CCOc1cc(C[N@H+](C)CC2CCC2)ccc1[N+](=O)[O-] ZINC000492463617 393739085 /nfs/dbraw/zinc/73/90/85/393739085.db2.gz QEQPVQMKOSFIKK-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@H]1C1CC1 ZINC000449527157 393884550 /nfs/dbraw/zinc/88/45/50/393884550.db2.gz GNLFITLPXSWYLJ-HNNXBMFYSA-N 1 0 292.404 3.231 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C2CC(C)(F)C2)cccc1[N+](=O)[O-] ZINC000453241854 394216765 /nfs/dbraw/zinc/21/67/65/394216765.db2.gz UUVRZUGDYNZRSY-IFQILLTASA-N 1 0 266.316 3.444 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)CC ZINC000453384159 394226137 /nfs/dbraw/zinc/22/61/37/394226137.db2.gz UHAZCPHKQGWLLA-LNSITVRQSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@@H]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000453421154 394242166 /nfs/dbraw/zinc/24/21/66/394242166.db2.gz YIPDSAWUWVDGNQ-DJSGYFEHSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000453139676 394184788 /nfs/dbraw/zinc/18/47/88/394184788.db2.gz BLENOQZFTGPHCX-AWEZNQCLSA-N 1 0 299.374 3.491 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275501066 292296658 /nfs/dbraw/zinc/29/66/58/292296658.db2.gz QZUIFFQEIFYEKB-SWLSCSKDSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000556258039 289382565 /nfs/dbraw/zinc/38/25/65/289382565.db2.gz WCKQUVPDNIZLMR-UHTWSYAYSA-N 1 0 266.316 3.444 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000124327059 286923682 /nfs/dbraw/zinc/92/36/82/286923682.db2.gz HPVQSEMIUPRONH-VNQPRFMTSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H](NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000149434734 287018209 /nfs/dbraw/zinc/01/82/09/287018209.db2.gz XMJXTWCXDKLCGE-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H](C1CC1)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000076912999 287036649 /nfs/dbraw/zinc/03/66/49/287036649.db2.gz HBOILRCLPUMGOE-GFCCVEGCSA-N 1 0 274.364 3.400 20 5 CGBDRO COCC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000092563382 165303417 /nfs/dbraw/zinc/30/34/17/165303417.db2.gz OHUXRAXVPXMTEF-UHFFFAOYSA-N 1 0 280.368 3.008 20 5 CGBDRO Cc1ccc(C[N@@H+]2C[C@@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092540602 287112427 /nfs/dbraw/zinc/11/24/27/287112427.db2.gz PSAGFISYRLUSCY-TXEJJXNPSA-N 1 0 280.393 3.229 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+](CC1CC1)CC1CC1 ZINC000115563931 287154419 /nfs/dbraw/zinc/15/44/19/287154419.db2.gz FTPRHOQFRALKHW-UHFFFAOYSA-N 1 0 290.363 3.096 20 5 CGBDRO CC1=CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285316596 196249625 /nfs/dbraw/zinc/24/96/25/196249625.db2.gz SVHBHEFSYVHKOU-CQSZACIVSA-N 1 0 260.337 3.226 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000126580067 287267987 /nfs/dbraw/zinc/26/79/87/287267987.db2.gz GJYYTLQNHMWWAS-LBPRGKRZSA-N 1 0 298.408 3.047 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000127260993 287284105 /nfs/dbraw/zinc/28/41/05/287284105.db2.gz HCBFETZXZNYTMD-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044517 174051986 /nfs/dbraw/zinc/05/19/86/174051986.db2.gz WINRYQMEXNWAKA-XJKSGUPXSA-N 1 0 292.379 3.452 20 5 CGBDRO COc1ccc(C[NH2+]CCCC(C)C)cc1[N+](=O)[O-] ZINC000038093997 174107679 /nfs/dbraw/zinc/10/76/79/174107679.db2.gz RWGVDILRZYVPDZ-UHFFFAOYSA-N 1 0 266.341 3.129 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000038095914 174109676 /nfs/dbraw/zinc/10/96/76/174109676.db2.gz METQJIUVAUXPCE-OCCSQVGLSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1cc(NCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000040444354 174264008 /nfs/dbraw/zinc/26/40/08/174264008.db2.gz WPFQLIBKEOKFGD-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000127576589 287291062 /nfs/dbraw/zinc/29/10/62/287291062.db2.gz GFZSQKKANXKTTL-KGLIPLIRSA-N 1 0 293.411 3.284 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000042588663 174810134 /nfs/dbraw/zinc/81/01/34/174810134.db2.gz CFXVIVKYJGOPKV-CYBMUJFWSA-N 1 0 250.342 3.427 20 5 CGBDRO Cc1cc(NCC(C)(C)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000302569562 227867174 /nfs/dbraw/zinc/86/71/74/227867174.db2.gz QBKSBTZMUCIRCX-UHFFFAOYSA-N 1 0 285.775 3.309 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402085765 260240489 /nfs/dbraw/zinc/24/04/89/260240489.db2.gz XRISFILGUYFQRW-ZLDLUXBVSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000158064794 270052546 /nfs/dbraw/zinc/05/25/46/270052546.db2.gz QCBMWSXVFWWSCU-SMDDNHRTSA-N 1 0 280.368 3.043 20 5 CGBDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000185821705 270064155 /nfs/dbraw/zinc/06/41/55/270064155.db2.gz OOSLAOBGQXEJAR-NNTXTVRGSA-N 1 0 292.379 3.135 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000179315033 265753940 /nfs/dbraw/zinc/75/39/40/265753940.db2.gz HYUJITMQLDHGED-ZDUSSCGKSA-N 1 0 260.337 3.383 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1C[C@H]1C ZINC000321704004 270093443 /nfs/dbraw/zinc/09/34/43/270093443.db2.gz UHDONKNOUXUWFZ-SWHYSGLUSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@H]1CCC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845194 270099229 /nfs/dbraw/zinc/09/92/29/270099229.db2.gz OWNATOUDWAQETF-ZFWWWQNUSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000522712164 270106837 /nfs/dbraw/zinc/10/68/37/270106837.db2.gz FVKFJISVRFMZNR-MRXNPFEDSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@]2(C)CO)cc1[N+](=O)[O-] ZINC000530411911 270199480 /nfs/dbraw/zinc/19/94/80/270199480.db2.gz BBBZGKVWDPOVPA-MRXNPFEDSA-N 1 0 292.379 3.065 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000357029715 274206150 /nfs/dbraw/zinc/20/61/50/274206150.db2.gz WPEZDKKSKTXHOD-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCS1)CCC2 ZINC000192951284 275038325 /nfs/dbraw/zinc/03/83/25/275038325.db2.gz ZPZQZJWZZXBMDH-DZGCQCFKSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3c2cccc3O)c1 ZINC000052926172 275039197 /nfs/dbraw/zinc/03/91/97/275039197.db2.gz HDMFGUYRMADEKT-HNNXBMFYSA-N 1 0 284.315 3.078 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000285398308 275040100 /nfs/dbraw/zinc/04/01/00/275040100.db2.gz XARZUYMWTOEOCO-INIZCTEOSA-N 1 0 298.342 3.468 20 5 CGBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000267393880 275716427 /nfs/dbraw/zinc/71/64/27/275716427.db2.gz DPAYDZHLJBPUJG-WOSRLPQWSA-N 1 0 292.379 3.307 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000179398232 276052456 /nfs/dbraw/zinc/05/24/56/276052456.db2.gz YHLUMQZXMSFHGK-CYBMUJFWSA-N 1 0 292.379 3.329 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000357358933 276053472 /nfs/dbraw/zinc/05/34/72/276053472.db2.gz UHXJRCSEQSSQAS-INIZCTEOSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cc[nH]c(=O)c1 ZINC000340448553 278364857 /nfs/dbraw/zinc/36/48/57/278364857.db2.gz MYRKIKPZGSVGGQ-WDEREUQCSA-N 1 0 287.319 3.107 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000271557455 288091002 /nfs/dbraw/zinc/09/10/02/288091002.db2.gz SYOZWGMITIFIMD-ZLDLUXBVSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000337263589 279680971 /nfs/dbraw/zinc/68/09/71/279680971.db2.gz RMOXYZYTWITWEZ-NEPJUHHUSA-N 1 0 266.341 3.059 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348290 279684829 /nfs/dbraw/zinc/68/48/29/279684829.db2.gz LMLVPUOWUSVZNV-RYUDHWBXSA-N 1 0 266.341 3.059 20 5 CGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352803670 279936087 /nfs/dbraw/zinc/93/60/87/279936087.db2.gz ZAMUTXZHLQILRQ-GZMMTYOYSA-N 1 0 286.784 3.089 20 5 CGBDRO CC(C)[C@@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487054007 280016235 /nfs/dbraw/zinc/01/62/35/280016235.db2.gz CTXRRTDTRBIMRZ-AWEZNQCLSA-N 1 0 297.786 3.025 20 5 CGBDRO CC[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000537987166 288557498 /nfs/dbraw/zinc/55/74/98/288557498.db2.gz NHRLQULDWVVKKA-GFCCVEGCSA-N 1 0 250.342 3.306 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)F ZINC000550274017 289071945 /nfs/dbraw/zinc/07/19/45/289071945.db2.gz ZLAKXFIFVXQQCB-KGTBHZDVSA-N 1 0 266.316 3.336 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553074443 289207435 /nfs/dbraw/zinc/20/74/35/289207435.db2.gz IHTQAUFWLWNPKX-LLVKDONJSA-N 1 0 293.342 3.163 20 5 CGBDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000312624322 294770599 /nfs/dbraw/zinc/77/05/99/294770599.db2.gz VIVDORFYJCONQO-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000388592202 327911190 /nfs/dbraw/zinc/91/11/90/327911190.db2.gz BCUMGSSIAMBHGW-GXTWGEPZSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000389029614 328604912 /nfs/dbraw/zinc/60/49/12/328604912.db2.gz XAQLGILSVPJHBI-WDEREUQCSA-N 1 0 298.770 3.153 20 5 CGBDRO CCCC[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152522243 321700466 /nfs/dbraw/zinc/70/04/66/321700466.db2.gz MLUWSOLCZYEXJC-NSHDSACASA-N 1 0 266.341 3.444 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CSC)cc1[N+](=O)[O-] ZINC000153882720 321729740 /nfs/dbraw/zinc/72/97/40/321729740.db2.gz GBWAIPCFYNOCLO-MNOVXSKESA-N 1 0 298.408 3.396 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC=CCC1 ZINC000563637210 322005210 /nfs/dbraw/zinc/00/52/10/322005210.db2.gz MRMYJJWVCWHKNI-FZMZJTMJSA-N 1 0 258.321 3.280 20 5 CGBDRO CC1(C)C[N@H+](Cc2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC000565394252 322076010 /nfs/dbraw/zinc/07/60/10/322076010.db2.gz FBKVCRIFUQBZLM-CQSZACIVSA-N 1 0 260.337 3.215 20 5 CGBDRO Cc1cccc(NCCc2c[nH]c3ccc([N+](=O)[O-])cc23)[nH+]1 ZINC000568926279 322227450 /nfs/dbraw/zinc/22/74/50/322227450.db2.gz SNGLWSXIYZUFKH-UHFFFAOYSA-N 1 0 296.330 3.434 20 5 CGBDRO Cc1ccc(OCCC[NH+]2CCCCC2)cc1[N+](=O)[O-] ZINC000569266007 322241579 /nfs/dbraw/zinc/24/15/79/322241579.db2.gz PMUXBPIIKCRXDJ-UHFFFAOYSA-N 1 0 278.352 3.158 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cccc1[N+](=O)[O-] ZINC000571349198 322296445 /nfs/dbraw/zinc/29/64/45/322296445.db2.gz GSSQEZBOKRUNSI-WCFLWFBJSA-N 1 0 266.316 3.444 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000572126441 322321233 /nfs/dbraw/zinc/32/12/33/322321233.db2.gz FMIKYQJJJKALNY-YWPYICTPSA-N 1 0 280.368 3.043 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CSC1(C)C ZINC000584160360 327053164 /nfs/dbraw/zinc/05/31/64/327053164.db2.gz FWTXIYUNKKBMFG-JOHMGYAOSA-N 1 0 292.404 3.482 20 5 CGBDRO C[C@H](c1ccccn1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000177024806 335355020 /nfs/dbraw/zinc/35/50/20/335355020.db2.gz ILRGAHUGNQVDHM-GFCCVEGCSA-N 1 0 271.320 3.183 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CCC[C@H]3C2)c(Cl)c1 ZINC000182227641 335804851 /nfs/dbraw/zinc/80/48/51/335804851.db2.gz HQBQPJMKFWJFJK-QWRGUYRKSA-N 1 0 280.755 3.480 20 5 CGBDRO CCOc1cccc(N[C@H](C)C[N@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000387464103 336194166 /nfs/dbraw/zinc/19/41/66/336194166.db2.gz NNSDESSSBOVWBT-GFCCVEGCSA-N 1 0 295.383 3.134 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049094166 522295373 /nfs/dbraw/zinc/29/53/73/522295373.db2.gz BUDHWZHLFOHCEZ-GHMZBOCLSA-N 1 0 266.341 3.128 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000361938771 533991543 /nfs/dbraw/zinc/99/15/43/533991543.db2.gz NCFRTFYFSGUXQF-VHRBIJSZSA-N 1 0 280.393 3.448 20 5 CGBDRO CS[C@H]1CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000425349767 534115618 /nfs/dbraw/zinc/11/56/18/534115618.db2.gz LEECNSIGSQYMGA-CABCVRRESA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC1CC1 ZINC000449149656 534254246 /nfs/dbraw/zinc/25/42/46/534254246.db2.gz OGCNMINAELVKPD-RYUDHWBXSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1ccncc1 ZINC000183705240 525563002 /nfs/dbraw/zinc/56/30/02/525563002.db2.gz HZOYOAROZOZKHO-CYBMUJFWSA-N 1 0 285.347 3.491 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccoc1)C1CC1 ZINC000178474563 534887497 /nfs/dbraw/zinc/88/74/97/534887497.db2.gz TWDFJKIVBIZJLE-HNNXBMFYSA-N 1 0 286.331 3.299 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000087017507 525916949 /nfs/dbraw/zinc/91/69/49/525916949.db2.gz IBKBNZXNFKWKDX-ZDUSSCGKSA-N 1 0 292.379 3.249 20 5 CGBDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000184396759 526216457 /nfs/dbraw/zinc/21/64/57/526216457.db2.gz JIFVRAZRZAOTME-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC1(C)C ZINC000414482695 527501286 /nfs/dbraw/zinc/50/12/86/527501286.db2.gz GLSIZWDELGAYFL-JOHMGYAOSA-N 1 0 260.337 3.386 20 5 CGBDRO CC1(CC[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000359007523 527925976 /nfs/dbraw/zinc/92/59/76/527925976.db2.gz ULJUYTCPWNDOPX-OLZOCXBDSA-N 1 0 292.383 3.055 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128059304 528092941 /nfs/dbraw/zinc/09/29/41/528092941.db2.gz CDRNQQDRCQEKLV-CQSZACIVSA-N 1 0 292.379 3.329 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@H](C)CCCO)cc1[N+](=O)[O-] ZINC000449410359 528100362 /nfs/dbraw/zinc/10/03/62/528100362.db2.gz YZNPCGFYIWAFRV-CYBMUJFWSA-N 1 0 294.395 3.216 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413023203 528117035 /nfs/dbraw/zinc/11/70/35/528117035.db2.gz IPIZJLCTUQXQAN-LLVKDONJSA-N 1 0 298.362 3.051 20 5 CGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])nc1)CC(C)C ZINC000344421676 528248965 /nfs/dbraw/zinc/24/89/65/528248965.db2.gz PKCUYUNCJRJUPP-CQSZACIVSA-N 1 0 294.399 3.158 20 5 CGBDRO CCCC[N@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000440603424 528348838 /nfs/dbraw/zinc/34/88/38/528348838.db2.gz YWEMYWMGFOOYDT-UHFFFAOYSA-N 1 0 287.310 3.017 20 5 CGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000449282050 529190379 /nfs/dbraw/zinc/19/03/79/529190379.db2.gz GKMLFGNNYJWDAX-GFCCVEGCSA-N 1 0 288.351 3.139 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361698434 529201278 /nfs/dbraw/zinc/20/12/78/529201278.db2.gz HPVQSEMIUPRONH-CWRNSKLLSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000500460196 535284702 /nfs/dbraw/zinc/28/47/02/535284702.db2.gz UQVAJDWLOUBCRZ-HNNXBMFYSA-N 1 0 292.379 3.484 20 5 CGBDRO CCC(CC)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750054937 573077175 /nfs/dbraw/zinc/07/71/75/573077175.db2.gz VUBXQNOYRXVIRH-INIZCTEOSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@@H]1C[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000092085338 618836186 /nfs/dbraw/zinc/83/61/86/618836186.db2.gz BYIUULFRXWAVSU-NXEZZACHSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000049217172 619712858 /nfs/dbraw/zinc/71/28/58/619712858.db2.gz KXXDFHDGMOEVGW-CYBMUJFWSA-N 1 0 265.356 3.463 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C)CC1 ZINC000896583356 620030570 /nfs/dbraw/zinc/03/05/70/620030570.db2.gz FWJPIXQPMAKFPY-JWAFFJSPSA-N 1 0 290.363 3.109 20 5 CGBDRO CSCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872018779 620273527 /nfs/dbraw/zinc/27/35/27/620273527.db2.gz OZHCDKCVUDJLMA-VIFPVBQESA-N 1 0 286.422 3.330 20 5 CGBDRO C[C@H]([NH2+]CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026438 620274549 /nfs/dbraw/zinc/27/45/49/620274549.db2.gz ATTFTXLGNZJKPV-VIFPVBQESA-N 1 0 252.289 3.185 20 5 CGBDRO COC1CCC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897464005 620340407 /nfs/dbraw/zinc/34/04/07/620340407.db2.gz FEYGMNLWVZYZNH-IYXRBSQSSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897463466 620340597 /nfs/dbraw/zinc/34/05/97/620340597.db2.gz GLHCSQPKLWNWJX-BYCMXARLSA-N 1 0 274.364 3.477 20 5 CGBDRO CC1(C)CC[C@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)OC1 ZINC000897478443 620345899 /nfs/dbraw/zinc/34/58/99/620345899.db2.gz UNYBVBIFGWDLOT-GFCCVEGCSA-N 1 0 298.408 3.341 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000927014600 620560911 /nfs/dbraw/zinc/56/09/11/620560911.db2.gz PAQZHZYWFLNPQD-NHYWBVRUSA-N 1 0 296.342 3.344 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927019133 620562469 /nfs/dbraw/zinc/56/24/69/620562469.db2.gz RBAHNOOOHNYCLE-HOCLYGCPSA-N 1 0 292.379 3.113 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)C(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903223930 621635368 /nfs/dbraw/zinc/63/53/68/621635368.db2.gz MVVOLGHTTUWFRI-QWRGUYRKSA-N 1 0 296.367 3.068 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000903260504 621647197 /nfs/dbraw/zinc/64/71/97/621647197.db2.gz VTMYRDBGFIQPMB-WWGRRREGSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903263414 621648491 /nfs/dbraw/zinc/64/84/91/621648491.db2.gz GUSKUJRWSGINMV-OAGGEKHMSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000903287006 621669558 /nfs/dbraw/zinc/66/95/58/621669558.db2.gz LSUOAQIJAUYYPV-DZGBDDFRSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287925 621670497 /nfs/dbraw/zinc/67/04/97/621670497.db2.gz TVTCAASRUZPYLS-ZJUUUORDSA-N 1 0 274.324 3.038 20 5 CGBDRO CC[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903437865 621747476 /nfs/dbraw/zinc/74/74/76/621747476.db2.gz QNWRPBQUXQHDKL-PMPSAXMXSA-N 1 0 290.363 3.061 20 5 CGBDRO CC(C)C[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000164829604 622846980 /nfs/dbraw/zinc/84/69/80/622846980.db2.gz BQURVUIXEXXXCH-UHFFFAOYSA-N 1 0 287.157 3.103 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCSC1 ZINC000228567075 623062404 /nfs/dbraw/zinc/06/24/04/623062404.db2.gz MZKFOVAZJJHWMZ-VIFPVBQESA-N 1 0 286.784 3.091 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000230696687 623262607 /nfs/dbraw/zinc/26/26/07/623262607.db2.gz FZIYNIYYGCWQCK-CHWSQXEVSA-N 1 0 280.393 3.277 20 5 CGBDRO CS[C@H]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000230696700 623262635 /nfs/dbraw/zinc/26/26/35/623262635.db2.gz FZIYNIYYGCWQCK-STQMWFEESA-N 1 0 280.393 3.277 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)c1 ZINC000922804387 626046968 /nfs/dbraw/zinc/04/69/68/626046968.db2.gz AJXHAPLXOYKBPA-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839659207 626771796 /nfs/dbraw/zinc/77/17/96/626771796.db2.gz XRORXYGUXQAGKP-JTQLQIEISA-N 1 0 293.323 3.123 20 5 CGBDRO CCC[C@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764432533 627207372 /nfs/dbraw/zinc/20/73/72/627207372.db2.gz CXQREUPMKMGMMZ-ZDUSSCGKSA-N 1 0 291.395 3.342 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000774830905 628036071 /nfs/dbraw/zinc/03/60/71/628036071.db2.gz GIVLLAIGDIHHJU-IINYFYTJSA-N 1 0 298.770 3.153 20 5 CGBDRO CSCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783635874 628734343 /nfs/dbraw/zinc/73/43/43/628734343.db2.gz CZKFJCFBZRBJSE-SECBINFHSA-N 1 0 288.800 3.479 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000783657465 628736455 /nfs/dbraw/zinc/73/64/55/628736455.db2.gz YHPOIHRSBCPMJC-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO CC(C)(CNc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000790818375 629234656 /nfs/dbraw/zinc/23/46/56/629234656.db2.gz JHSAGZZWMDRFJD-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCSC2)cc1Cl ZINC000790926596 629241360 /nfs/dbraw/zinc/24/13/60/629241360.db2.gz MJILIVPUQRINON-SNVBAGLBSA-N 1 0 286.784 3.091 20 5 CGBDRO CC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC000791052989 629253179 /nfs/dbraw/zinc/25/31/79/629253179.db2.gz QURFISXDKAJSDB-NSHDSACASA-N 1 0 262.309 3.092 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840184820 630811500 /nfs/dbraw/zinc/81/15/00/630811500.db2.gz UJNZNDKKEIWQKS-NSHDSACASA-N 1 0 288.351 3.022 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125024 630840420 /nfs/dbraw/zinc/84/04/20/630840420.db2.gz MLHUOUJJTCQBKN-SWLSCSKDSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618176 631806504 /nfs/dbraw/zinc/80/65/04/631806504.db2.gz GJDKUWNWGQWBEQ-SNVBAGLBSA-N 1 0 277.368 3.264 20 5 CGBDRO C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815618175 631806719 /nfs/dbraw/zinc/80/67/19/631806719.db2.gz GJDKUWNWGQWBEQ-JTQLQIEISA-N 1 0 277.368 3.264 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCC(CCF)CC1 ZINC000879210281 635726592 /nfs/dbraw/zinc/72/65/92/635726592.db2.gz YGHYLDXWNTVCAL-UHFFFAOYSA-N 1 0 284.306 3.306 20 5 CGBDRO CC[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819330532 632431398 /nfs/dbraw/zinc/43/13/98/632431398.db2.gz TYTTVAGJOISSLG-XNRPHZJLSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866365482 633103791 /nfs/dbraw/zinc/10/37/91/633103791.db2.gz HMHVGHLCLZQLEZ-RISCZKNCSA-N 1 0 298.358 3.070 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000866612458 633212312 /nfs/dbraw/zinc/21/23/12/633212312.db2.gz JCBPZLVTKFIUMB-VXGBXAGGSA-N 1 0 288.351 3.049 20 5 CGBDRO COC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872039141 633959472 /nfs/dbraw/zinc/95/94/72/633959472.db2.gz QVHYKLOZPZJDDG-ZYHUDNBSSA-N 1 0 284.331 3.056 20 5 CGBDRO CC[C@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872045323 633968115 /nfs/dbraw/zinc/96/81/15/633968115.db2.gz ZKAQCVAISDKYBV-JQWIXIFHSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H]([NH2+]C1CCSCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045674 633969166 /nfs/dbraw/zinc/96/91/66/633969166.db2.gz AAXZRDOFJYKAJL-SECBINFHSA-N 1 0 284.356 3.280 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC=CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064109 633985961 /nfs/dbraw/zinc/98/59/61/633985961.db2.gz CAXCJIPFIMXCST-GHMZBOCLSA-N 1 0 280.299 3.077 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872070656 633991998 /nfs/dbraw/zinc/99/19/98/633991998.db2.gz VWAIALJGFKMHGQ-LLVKDONJSA-N 1 0 296.342 3.201 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872075168 633997802 /nfs/dbraw/zinc/99/78/02/633997802.db2.gz PFQYJCNEDSPIHE-GHMZBOCLSA-N 1 0 284.331 3.200 20 5 CGBDRO C[C@@H]([NH2+]CCCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079778 634002806 /nfs/dbraw/zinc/00/28/06/634002806.db2.gz JWDUICLWBKSQKU-LLVKDONJSA-N 1 0 296.342 3.080 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872080150 634004431 /nfs/dbraw/zinc/00/44/31/634004431.db2.gz SYXNZQHIFFIYDW-SDDRHHMPSA-N 1 0 296.342 3.341 20 5 CGBDRO CCOC(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873112232 634247047 /nfs/dbraw/zinc/24/70/47/634247047.db2.gz RZWIWZBBKKIYLV-UHFFFAOYSA-N 1 0 280.368 3.116 20 5 CGBDRO CC[C@](C)(C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873131806 634252815 /nfs/dbraw/zinc/25/28/15/634252815.db2.gz VZWMAKVXBFPZIM-OAHLLOKOSA-N 1 0 280.368 3.116 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885676 634266913 /nfs/dbraw/zinc/26/69/13/634266913.db2.gz LVZZIIFKMXTVMF-GXSJLCMTSA-N 1 0 299.321 3.263 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CC(Nc2ccccc2)C1 ZINC000873190294 634277283 /nfs/dbraw/zinc/27/72/83/634277283.db2.gz AOHLEGHYYZJEHA-UHFFFAOYSA-N 1 0 297.358 3.328 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1CCSCC1)C2 ZINC000876741411 634889113 /nfs/dbraw/zinc/88/91/13/634889113.db2.gz ULUGJNUUVPQVGY-UHFFFAOYSA-N 1 0 292.404 3.096 20 5 CGBDRO CC[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877054705 634964442 /nfs/dbraw/zinc/96/44/42/634964442.db2.gz KIRFOXBCOFQHML-FEPKRQSRSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000877557234 635089983 /nfs/dbraw/zinc/08/99/83/635089983.db2.gz ISHWYXXQNPGOAU-JBLDHEPKSA-N 1 0 266.366 3.139 20 5 CGBDRO COCCC1(C)C[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877582282 635101562 /nfs/dbraw/zinc/10/15/62/635101562.db2.gz PIVJSZYOHVVBEB-UHFFFAOYSA-N 1 0 292.379 3.070 20 5 CGBDRO CC1(C)CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127133751 635521124 /nfs/dbraw/zinc/52/11/24/635521124.db2.gz VAKUFBQDXUSVBS-UKRRQHHQSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000879409034 635781174 /nfs/dbraw/zinc/78/11/74/635781174.db2.gz YJQRJEZHNXFCGX-AWEZNQCLSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000880091739 635910653 /nfs/dbraw/zinc/91/06/53/635910653.db2.gz GFWCJHTUSLFVTD-NFFDBFGFSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880465967 636005883 /nfs/dbraw/zinc/00/58/83/636005883.db2.gz JUYGDEIEVZEIFH-BXUZGUMPSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@@H]([NH2+]CC1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000846850797 636258995 /nfs/dbraw/zinc/25/89/95/636258995.db2.gz SLEAUHSNQIGCBX-SECBINFHSA-N 1 0 299.168 3.173 20 5 CGBDRO CSCC[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000130200165 636430753 /nfs/dbraw/zinc/43/07/53/636430753.db2.gz SZZGNYPZZUFXNP-JTQLQIEISA-N 1 0 268.382 3.134 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCNc1ccccc1 ZINC000848531664 636591592 /nfs/dbraw/zinc/59/15/92/636591592.db2.gz QZHFIHRZNPCGAE-INIZCTEOSA-N 1 0 297.358 3.284 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C=CCC1 ZINC000883239233 636608679 /nfs/dbraw/zinc/60/86/79/636608679.db2.gz ZUGVKDSNDSANRW-NEXMIYJRSA-N 1 0 258.321 3.164 20 5 CGBDRO Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000848755247 636651387 /nfs/dbraw/zinc/65/13/87/636651387.db2.gz LNMYWKHTMHTAKH-PHIMTYICSA-N 1 0 297.786 3.309 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@@H](O)c2ccccc21 ZINC000850372941 637035878 /nfs/dbraw/zinc/03/58/78/637035878.db2.gz BLUFRXPQZKFYDQ-IAGOWNOFSA-N 1 0 298.342 3.171 20 5 CGBDRO C[C@H](c1ccc(F)cc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885929365 637316158 /nfs/dbraw/zinc/31/61/58/637316158.db2.gz PDNXDOOXNBLYCT-LLVKDONJSA-N 1 0 289.310 3.322 20 5 CGBDRO C[C@H](c1ccccc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885937798 637320670 /nfs/dbraw/zinc/32/06/70/637320670.db2.gz KHKAIWILTCCDMO-GFCCVEGCSA-N 1 0 271.320 3.183 20 5 CGBDRO C[C@@H](c1ccccc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885937799 637321345 /nfs/dbraw/zinc/32/13/45/637321345.db2.gz KHKAIWILTCCDMO-LBPRGKRZSA-N 1 0 271.320 3.183 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026371 637372133 /nfs/dbraw/zinc/37/21/33/637372133.db2.gz VDGCCUMUOUTKLS-CQSZACIVSA-N 1 0 263.341 3.002 20 5 CGBDRO CC(C)C[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886075071 637400866 /nfs/dbraw/zinc/40/08/66/637400866.db2.gz BUEUZWZUYANXCB-CQSZACIVSA-N 1 0 277.368 3.390 20 5 CGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCC(C)(C)C1 ZINC000886183843 637451595 /nfs/dbraw/zinc/45/15/95/637451595.db2.gz OEXLCVIKXUOGJY-LBPRGKRZSA-N 1 0 263.341 3.000 20 5 CGBDRO CCC1(CC)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886315268 637496806 /nfs/dbraw/zinc/49/68/06/637496806.db2.gz DACPIZLKBBQIIM-UHFFFAOYSA-N 1 0 263.341 3.144 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)OCC ZINC000858451025 638723009 /nfs/dbraw/zinc/72/30/09/638723009.db2.gz MBPPELQUZMWHIA-AAEUAGOBSA-N 1 0 295.383 3.033 20 5 CGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000926796544 638812977 /nfs/dbraw/zinc/81/29/77/638812977.db2.gz OWHKDLBXNPPQIN-ZBFHGGJFSA-N 1 0 294.395 3.323 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926948148 638828369 /nfs/dbraw/zinc/82/83/69/638828369.db2.gz CJHVBVUDVYENPG-PTOFAABTSA-N 1 0 288.269 3.444 20 5 CGBDRO C[C@@H]1CSCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934296628 639572857 /nfs/dbraw/zinc/57/28/57/639572857.db2.gz MJZFVMPAQWLSAO-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000042095341 639910729 /nfs/dbraw/zinc/91/07/29/639910729.db2.gz VKZXEESICHKCMN-LBPRGKRZSA-N 1 0 288.351 3.024 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774141 640801952 /nfs/dbraw/zinc/80/19/52/640801952.db2.gz CCMMYSULSNVPFM-JTQLQIEISA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000094774750 640802521 /nfs/dbraw/zinc/80/25/21/640802521.db2.gz FMXSAAWLYDWYAL-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774840 640802834 /nfs/dbraw/zinc/80/28/34/640802834.db2.gz XJGJWMCWNDGSFS-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO CO[C@@H]1CN(Cc2cc([N+](=O)[O-])ccc2Cl)CC[C@H]1C ZINC000251880827 640834992 /nfs/dbraw/zinc/83/49/92/640834992.db2.gz PRFQERPSQYLEMT-QMTHXVAHSA-N 1 0 298.770 3.105 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2cccc3c2CC[NH2+]C3)c1F ZINC001159547939 806119642 /nfs/dbraw/zinc/11/96/42/806119642.db2.gz OKONSFWSRWBDKX-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[C@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001159833262 806184104 /nfs/dbraw/zinc/18/41/04/806184104.db2.gz USUDLNZFUOFCIH-CYBMUJFWSA-N 1 0 283.331 3.073 20 5 CGBDRO CC[C@H](C)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474696 806413052 /nfs/dbraw/zinc/41/30/52/806413052.db2.gz SWDMXWIWLHXXLF-ZDUSSCGKSA-N 1 0 291.395 3.294 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(F)CC1 ZINC001254530745 806445269 /nfs/dbraw/zinc/44/52/69/806445269.db2.gz AQZYEZMVWJEYNE-LMWSTFAQSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccccn1 ZINC001254539077 806446327 /nfs/dbraw/zinc/44/63/27/806446327.db2.gz BMVWDHLPNVAZCN-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](F)CC1 ZINC001254551450 806447420 /nfs/dbraw/zinc/44/74/20/806447420.db2.gz BENZMLRVKYYNAN-OCCSQVGLSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC1(C)C ZINC001254550712 806447521 /nfs/dbraw/zinc/44/75/21/806447521.db2.gz PJWFWJSCURTHRA-GFCCVEGCSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC(F)(F)C1 ZINC001254550842 806448127 /nfs/dbraw/zinc/44/81/27/806448127.db2.gz SBQFTVVTSWZCKN-JTQLQIEISA-N 1 0 284.306 3.255 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(F)CC1 ZINC001254550726 806448140 /nfs/dbraw/zinc/44/81/40/806448140.db2.gz PQXGPULLSGANMR-LLVKDONJSA-N 1 0 284.306 3.257 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001254550167 806448157 /nfs/dbraw/zinc/44/81/57/806448157.db2.gz DXDGUMARMPROBS-CYBMUJFWSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCn2cccc2[C@H]1C ZINC001254560488 806451105 /nfs/dbraw/zinc/45/11/05/806451105.db2.gz UCXYPJACBUPRQN-UONOGXRCSA-N 1 0 299.374 3.404 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CCCC1 ZINC001254560982 806451396 /nfs/dbraw/zinc/45/13/96/806451396.db2.gz CQHSMMCRWPZEGK-GFCCVEGCSA-N 1 0 262.353 3.400 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC(F)(F)C1)C2 ZINC001254566050 806451865 /nfs/dbraw/zinc/45/18/65/806451865.db2.gz HCCFVIVFGYKFAE-GWCFXTLKSA-N 1 0 296.317 3.087 20 5 CGBDRO Cc1csc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254567879 806453023 /nfs/dbraw/zinc/45/30/23/806453023.db2.gz QNSQVPOULCIJQL-ZDUSSCGKSA-N 1 0 288.372 3.222 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604628 806460397 /nfs/dbraw/zinc/46/03/97/806460397.db2.gz WYDNMAWHKIBCPR-HSMVNMDESA-N 1 0 274.364 3.040 20 5 CGBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001162403419 806578986 /nfs/dbraw/zinc/57/89/86/806578986.db2.gz CYMZTOCDAQDLJW-OLZOCXBDSA-N 1 0 285.347 3.430 20 5 CGBDRO C[C@@H]1C[C@@H](CNc2ccc([N+](=O)[O-])c3ccccc23)C[NH2+]1 ZINC001162560051 806619557 /nfs/dbraw/zinc/61/95/57/806619557.db2.gz XOESPOWRHRDPDP-VXGBXAGGSA-N 1 0 285.347 3.158 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036993396 798853986 /nfs/dbraw/zinc/85/39/86/798853986.db2.gz FOGHDKFFVYTODI-RYUDHWBXSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000686507219 799734568 /nfs/dbraw/zinc/73/45/68/799734568.db2.gz PGDDSFIBPQJPIL-MXWKQRLJSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000701049130 799884149 /nfs/dbraw/zinc/88/41/49/799884149.db2.gz DTDLTHQJYZYCHB-LFNDISMMSA-N 1 0 298.770 3.150 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701952944 799899339 /nfs/dbraw/zinc/89/93/39/799899339.db2.gz XVISNHCRTNVPML-VXGBXAGGSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000704813527 799941055 /nfs/dbraw/zinc/94/10/55/799941055.db2.gz IHAMZMWNXOLWTR-NWDGAFQWSA-N 1 0 280.393 3.389 20 5 CGBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001163606364 806791451 /nfs/dbraw/zinc/79/14/51/806791451.db2.gz XZSIFEFAEWWCTG-NSHDSACASA-N 1 0 297.786 3.169 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711682869 800069543 /nfs/dbraw/zinc/06/95/43/800069543.db2.gz AKFUDIFQIUYTMO-JTQLQIEISA-N 1 0 266.728 3.304 20 5 CGBDRO C[C@@H]1C[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000721454818 800289771 /nfs/dbraw/zinc/28/97/71/800289771.db2.gz KIJDECRCUHPWKM-ZYHUDNBSSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001163776934 806823947 /nfs/dbraw/zinc/82/39/47/806823947.db2.gz OZSLKHFSJWAKQA-NSHDSACASA-N 1 0 279.384 3.254 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000829426080 800485022 /nfs/dbraw/zinc/48/50/22/800485022.db2.gz DQQAZVQDWDVJJY-TUKIKUTGSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1cc2c(cc1NC/C=C/c1ccccc1)C[NH2+]C2 ZINC001166110188 807038837 /nfs/dbraw/zinc/03/88/37/807038837.db2.gz UAMAKMWUFHTQSX-QPJJXVBHSA-N 1 0 295.342 3.323 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[N@H+](C)CC2 ZINC001249559375 805176207 /nfs/dbraw/zinc/17/62/07/805176207.db2.gz PNPWFYUVLWXKTK-UHFFFAOYSA-N 1 0 298.346 3.030 20 5 CGBDRO CCCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168966660 807542327 /nfs/dbraw/zinc/54/23/27/807542327.db2.gz KRKMENCVLBEGCV-CABCVRRESA-N 1 0 292.379 3.010 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168964443 807542653 /nfs/dbraw/zinc/54/26/53/807542653.db2.gz SKIYXZYEXDWLET-MJVIPROJSA-N 1 0 282.771 3.436 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC001168967448 807543882 /nfs/dbraw/zinc/54/38/82/807543882.db2.gz PQTKZQQDXKBBNL-KOLCDFICSA-N 1 0 286.734 3.014 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168970669 807544140 /nfs/dbraw/zinc/54/41/40/807544140.db2.gz IDCLTLXFYWTHAJ-UMNHJUIQSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001168968771 807544164 /nfs/dbraw/zinc/54/41/64/807544164.db2.gz AJAORYLUCCGPLD-RHSMWYFYSA-N 1 0 284.359 3.375 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001168979526 807546022 /nfs/dbraw/zinc/54/60/22/807546022.db2.gz YZVCCTINBYLYPD-IVMMDQJWSA-N 1 0 274.364 3.017 20 5 CGBDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978818 807546073 /nfs/dbraw/zinc/54/60/73/807546073.db2.gz UMUQRMHDMRTDTK-MJBXVCDLSA-N 1 0 256.390 3.236 20 5 CGBDRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168982069 807547107 /nfs/dbraw/zinc/54/71/07/807547107.db2.gz IHXZSUHPFPXUIQ-BFHYXJOUSA-N 1 0 262.353 3.091 20 5 CGBDRO Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168988059 807547782 /nfs/dbraw/zinc/54/77/82/807547782.db2.gz NBOVSRQDZCOWKW-DGCLKSJQSA-N 1 0 282.771 3.183 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)C1 ZINC001168997471 807549388 /nfs/dbraw/zinc/54/93/88/807549388.db2.gz ZQXYKXFWFSAAGI-SWLSCSKDSA-N 1 0 292.354 3.240 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2cccc(F)c2)C2CC2)C1 ZINC001168999045 807549480 /nfs/dbraw/zinc/54/94/80/807549480.db2.gz RFPHGDTYZYJRKT-HFBAOOFYSA-N 1 0 292.354 3.312 20 5 CGBDRO CC(C)(C)C1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169008699 807551365 /nfs/dbraw/zinc/55/13/65/807551365.db2.gz UCPYGURJIQCJAY-TZMCWYRMSA-N 1 0 268.401 3.190 20 5 CGBDRO Cc1ccc2cccc(C[NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)c2n1 ZINC001169008712 807551762 /nfs/dbraw/zinc/55/17/62/807551762.db2.gz UGMNLLCNPNOLNY-BBRMVZONSA-N 1 0 299.374 3.078 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3cccs3)CC2)C1 ZINC001169028998 807555831 /nfs/dbraw/zinc/55/58/31/807555831.db2.gz TUHSYAANUQBLEM-GXTWGEPZSA-N 1 0 294.420 3.373 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2cccc(F)c2)C1 ZINC001169034195 807556050 /nfs/dbraw/zinc/55/60/50/807556050.db2.gz FWTMBBXHSVRGKP-WQVCFCJDSA-N 1 0 292.354 3.408 20 5 CGBDRO C[N@H+](Cc1cccc2cccnc21)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036493 807556126 /nfs/dbraw/zinc/55/61/26/807556126.db2.gz OTDWFTBCQFJDDF-CZUORRHYSA-N 1 0 299.374 3.112 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169039825 807557836 /nfs/dbraw/zinc/55/78/36/807557836.db2.gz UJMBSZGOSGSCQA-XIRDDKMYSA-N 1 0 288.391 3.311 20 5 CGBDRO C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056802 807562279 /nfs/dbraw/zinc/56/22/79/807562279.db2.gz SUAPLHGCYNDSJJ-GZBFAFLISA-N 1 0 274.364 3.051 20 5 CGBDRO C[NH+](C)CCC(C)(C)Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001169717461 807696342 /nfs/dbraw/zinc/69/63/42/807696342.db2.gz HJXKBZMJASXSAO-UHFFFAOYSA-N 1 0 287.310 3.015 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2(C)CCC2)c([N+](=O)[O-])c1 ZINC001170307182 807824878 /nfs/dbraw/zinc/82/48/78/807824878.db2.gz FBUFLMLKLHKFEK-GFCCVEGCSA-N 1 0 292.379 3.314 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC001170322370 807825956 /nfs/dbraw/zinc/82/59/56/807825956.db2.gz FHIZPJHWJIITQD-GXTWGEPZSA-N 1 0 290.363 3.233 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]CC2(F)CCC2)c([N+](=O)[O-])c1 ZINC001170321334 807826547 /nfs/dbraw/zinc/82/65/47/807826547.db2.gz AFVLCXBSSKNLOL-NSHDSACASA-N 1 0 296.342 3.016 20 5 CGBDRO COc1ccc(C[C@H](C)[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170348187 807827581 /nfs/dbraw/zinc/82/75/81/807827581.db2.gz VPOLKIPEIDJLCC-LBPRGKRZSA-N 1 0 292.379 3.409 20 5 CGBDRO CCC1(CC)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001171954815 808159068 /nfs/dbraw/zinc/15/90/68/808159068.db2.gz QWPHJOLXZDJKLI-UHFFFAOYSA-N 1 0 294.399 3.002 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC[C@@H](F)C1)CC2 ZINC001172897133 808474825 /nfs/dbraw/zinc/47/48/25/808474825.db2.gz XMLSZONIQDRMKW-QLFBSQMISA-N 1 0 292.354 3.322 20 5 CGBDRO CC(C)[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907917 808475723 /nfs/dbraw/zinc/47/57/23/808475723.db2.gz JQNVILZXDAWRBY-CQSZACIVSA-N 1 0 262.353 3.182 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H]1CF)CC2 ZINC001172913801 808477932 /nfs/dbraw/zinc/47/79/32/808477932.db2.gz VDFMTIADPUVOGI-GOEBONIOSA-N 1 0 292.354 3.276 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CC2(C)C)c1F ZINC001173192772 808533292 /nfs/dbraw/zinc/53/32/92/808533292.db2.gz RARXZNGLFIHCBV-NOZJJQNGSA-N 1 0 296.342 3.062 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184072 808533647 /nfs/dbraw/zinc/53/36/47/808533647.db2.gz CQOQMIYPJSXDFG-QWRGUYRKSA-N 1 0 298.358 3.404 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(F)CC1 ZINC001173210041 808538145 /nfs/dbraw/zinc/53/81/45/808538145.db2.gz GZASVYPGSAPHRM-XGNXJENSSA-N 1 0 280.343 3.396 20 5 CGBDRO CC[C@H](C)C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213126 808538382 /nfs/dbraw/zinc/53/83/82/808538382.db2.gz DTHUZGDVMAHTTC-RYUDHWBXSA-N 1 0 250.342 3.162 20 5 CGBDRO CC(C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216650 808538441 /nfs/dbraw/zinc/53/84/41/808538441.db2.gz MNGWSFBHRXPVKT-NWDGAFQWSA-N 1 0 250.342 3.160 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CCC1 ZINC001173212497 808538866 /nfs/dbraw/zinc/53/88/66/808538866.db2.gz ACQLJJDCTICJAM-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccoc1 ZINC001173218818 808540179 /nfs/dbraw/zinc/54/01/79/808540179.db2.gz MHXLXQRFBIQVCP-VXGBXAGGSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(CCC2)C1 ZINC001173221089 808540255 /nfs/dbraw/zinc/54/02/55/808540255.db2.gz FLXKIGSDAUYGHG-LBPRGKRZSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C2CCC1CC2 ZINC001173225666 808541380 /nfs/dbraw/zinc/54/13/80/808541380.db2.gz FFDCCMZSMDQXOH-XGNXJENSSA-N 1 0 260.337 3.153 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC001173229955 808542723 /nfs/dbraw/zinc/54/27/23/808542723.db2.gz WMJDMQWXWMTKNY-QWHCGFSZSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1cc(C)c(CN2CCc3c2cccc3[N+](=O)[O-])c(C)n1 ZINC001192964356 810836695 /nfs/dbraw/zinc/83/66/95/810836695.db2.gz KUCMXEHEGNVRFL-UHFFFAOYSA-N 1 0 297.358 3.478 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC001197658197 811442260 /nfs/dbraw/zinc/44/22/60/811442260.db2.gz DVPNUESGCOFKHF-WFASDCNBSA-N 1 0 292.379 3.451 20 5 CGBDRO CNc1ccccc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001205504245 812992636 /nfs/dbraw/zinc/99/26/36/812992636.db2.gz XGTOPXUCFGRQLY-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001217984817 816033724 /nfs/dbraw/zinc/03/37/24/816033724.db2.gz APAVNGNXEIYUTN-ZANVPECISA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]CC2)c2ccccc21 ZINC001217994210 816040332 /nfs/dbraw/zinc/04/03/32/816040332.db2.gz FSTRZFCZUQYCOX-GFCCVEGCSA-N 1 0 286.331 3.269 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001218023471 816059261 /nfs/dbraw/zinc/05/92/61/816059261.db2.gz IKXIOSFQKFUZCR-ZANVPECISA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218085722 816090490 /nfs/dbraw/zinc/09/04/90/816090490.db2.gz VHRJJUJKHDSRNY-HNNXBMFYSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@H](Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C1C[NH2+]C1 ZINC001218193697 816122027 /nfs/dbraw/zinc/12/20/27/816122027.db2.gz JHWZQKKFUVOTQO-LBPRGKRZSA-N 1 0 298.342 3.249 20 5 CGBDRO O=[N+]([O-])c1cc(OC2CCC3(C[NH2+]C3)CC2)ccc1Cl ZINC001218263040 816145488 /nfs/dbraw/zinc/14/54/88/816145488.db2.gz SYCTXYOAQBRWDN-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC001218305570 816158818 /nfs/dbraw/zinc/15/88/18/816158818.db2.gz FTGCNQHMFSVQOL-LLVKDONJSA-N 1 0 296.754 3.302 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218309355 816160355 /nfs/dbraw/zinc/16/03/55/816160355.db2.gz OGJJVMSSWLWFRM-CYBMUJFWSA-N 1 0 290.363 3.265 20 5 CGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001218313195 816162549 /nfs/dbraw/zinc/16/25/49/816162549.db2.gz GWLXDLQJXYRBDW-NSHDSACASA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3C=CC[NH2+]C3)c2)c1 ZINC001218333171 816171118 /nfs/dbraw/zinc/17/11/18/816171118.db2.gz GCEPBDSNVFNGGG-KRWDZBQOSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001218386714 816186681 /nfs/dbraw/zinc/18/66/81/816186681.db2.gz WDGRBFSQJDDHQW-ZBEGNZNMSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218394875 816189633 /nfs/dbraw/zinc/18/96/33/816189633.db2.gz ZMPGQWSSIISGKT-BZNIZROVSA-N 1 0 264.328 3.127 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001218394662 816189878 /nfs/dbraw/zinc/18/98/78/816189878.db2.gz YZFGNHKJXFGOKH-BDJLRTHQSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218480924 816236684 /nfs/dbraw/zinc/23/66/84/816236684.db2.gz JMSHMOGRLTVLKN-ABAIWWIYSA-N 1 0 286.331 3.125 20 5 CGBDRO C[C@H](O[C@@H]1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027780 816723933 /nfs/dbraw/zinc/72/39/33/816723933.db2.gz XXYLRFGORIBMCF-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](OCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001224455444 816807108 /nfs/dbraw/zinc/80/71/08/816807108.db2.gz UDVPPSIVRCIIGH-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H](CCc1ccccc1)OCCC[N+](C)(C)C ZINC001224624352 816836403 /nfs/dbraw/zinc/83/64/03/816836403.db2.gz VNJJSPQNMSKAAC-OAHLLOKOSA-N 1 0 250.406 3.121 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001224771073 816878604 /nfs/dbraw/zinc/87/86/04/816878604.db2.gz FLEPVONDRQPYCM-LLVKDONJSA-N 1 0 276.322 3.489 20 5 CGBDRO CC(C)Oc1ccc(COCC[N+](C)(C)C)cc1Cl ZINC001224774434 816878695 /nfs/dbraw/zinc/87/86/95/816878695.db2.gz SUUYUOGZGBKNFH-UHFFFAOYSA-N 1 0 286.823 3.350 20 5 CGBDRO CCc1c(C)sc2ncnc(O[C@H](C)C[N+](C)(C)C)c12 ZINC001226471679 817366835 /nfs/dbraw/zinc/36/68/35/817366835.db2.gz PGTJTAWSPQDFCQ-SNVBAGLBSA-N 1 0 294.444 3.036 20 5 CGBDRO Cc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001226951627 817514777 /nfs/dbraw/zinc/51/47/77/817514777.db2.gz COPXXZDADUTCGH-JOCQHMNTSA-N 1 0 278.352 3.155 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227213876 817594307 /nfs/dbraw/zinc/59/43/07/817594307.db2.gz CXYFDVXLACYKQK-CYBMUJFWSA-N 1 0 286.331 3.221 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccccn2)cc1 ZINC001227909898 817751843 /nfs/dbraw/zinc/75/18/43/817751843.db2.gz KPAWYJBTFUFNHC-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001228237301 817845879 /nfs/dbraw/zinc/84/58/79/817845879.db2.gz JBMRHALPSNGWPX-HDJSIYSDSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1ccnc2cc(O[C@@H](C)C[N+](C)(C)C)ccc12 ZINC001228736535 817993215 /nfs/dbraw/zinc/99/32/15/817993215.db2.gz LBZTZQJWUCNXLX-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228758977 818001400 /nfs/dbraw/zinc/00/14/00/818001400.db2.gz PJTKFOQUZMNOCL-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO COC[C@@H]1CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225281 818284958 /nfs/dbraw/zinc/28/49/58/818284958.db2.gz ABYIIGTYKZPXDO-INIZCTEOSA-N 1 0 293.370 3.004 20 5 CGBDRO Cc1cc(F)c(O[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234062240 818771153 /nfs/dbraw/zinc/77/11/53/818771153.db2.gz ZDQZIKMTWKRSAC-LBPRGKRZSA-N 1 0 296.342 3.294 20 5 CGBDRO Cc1ccccc1NC(=[NH2+])NCCc1ccccc1[N+](=O)[O-] ZINC001349924092 936969013 /nfs/dbraw/zinc/96/90/13/936969013.db2.gz ZSROTOXBTVYFKC-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc(F)c1N)c1ccc([N+](=O)[O-])cc1 ZINC001461755415 937595467 /nfs/dbraw/zinc/59/54/67/937595467.db2.gz SRBSWVBXQRBRNU-SNVBAGLBSA-N 1 0 289.310 3.167 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1C ZINC001229883184 932497666 /nfs/dbraw/zinc/49/76/66/932497666.db2.gz TWUOBGKQCTWRIL-LLVKDONJSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(OC2CC[NH+](C3CC3)CC2)cc1F ZINC001229895899 932500517 /nfs/dbraw/zinc/50/05/17/932500517.db2.gz WLZXAWUNRZUVQY-UHFFFAOYSA-N 1 0 294.326 3.048 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229963650 932511613 /nfs/dbraw/zinc/51/16/13/932511613.db2.gz KZWSZYCXXJUZGA-LBPRGKRZSA-N 1 0 298.770 3.500 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229963649 932511644 /nfs/dbraw/zinc/51/16/44/932511644.db2.gz KZWSZYCXXJUZGA-GFCCVEGCSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2sccc21 ZINC001230213769 932542186 /nfs/dbraw/zinc/54/21/86/932542186.db2.gz KHGJAAJEDGNFGQ-LLVKDONJSA-N 1 0 250.387 3.375 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622075 932599607 /nfs/dbraw/zinc/59/96/07/932599607.db2.gz GPDDNSOVAGXXBD-CYBMUJFWSA-N 1 0 286.331 3.221 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@H](F)C2)c(F)c1 ZINC001332437225 932745463 /nfs/dbraw/zinc/74/54/63/932745463.db2.gz VAZRXBNBHYBBDF-WDEREUQCSA-N 1 0 270.279 3.104 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001336947925 932824730 /nfs/dbraw/zinc/82/47/30/932824730.db2.gz QRKKNZSESYDDGW-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC001307854334 933009602 /nfs/dbraw/zinc/00/96/02/933009602.db2.gz YZIJPNXXPGYVAD-CABCVRRESA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001307891937 933015507 /nfs/dbraw/zinc/01/55/07/933015507.db2.gz CRKHYQWUSSETQO-GFCCVEGCSA-N 1 0 280.368 3.388 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC001308137502 933054997 /nfs/dbraw/zinc/05/49/97/933054997.db2.gz XKHXMAGSXOMMCC-CYBMUJFWSA-N 1 0 266.316 3.498 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CCCCO1 ZINC001308711756 933162912 /nfs/dbraw/zinc/16/29/12/933162912.db2.gz HALHHWZISKYCRQ-MRXNPFEDSA-N 1 0 292.379 3.028 20 5 CGBDRO CC(C)(C)OCCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001319139760 933831903 /nfs/dbraw/zinc/83/19/03/933831903.db2.gz YHQDTWPMDRNUED-UHFFFAOYSA-N 1 0 292.379 3.158 20 5 CGBDRO CC1([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC001320990209 934131879 /nfs/dbraw/zinc/13/18/79/934131879.db2.gz XQUHJZFFLKZJOH-ZDUSSCGKSA-N 1 0 260.337 3.459 20 5 CGBDRO Cc1ccc(NC[C@@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001472650641 937779178 /nfs/dbraw/zinc/77/91/78/937779178.db2.gz ZLKUGZUKPHNVND-CYBMUJFWSA-N 1 0 279.384 3.291 20 5 CGBDRO COC/C(C)=C/C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001333905680 936074652 /nfs/dbraw/zinc/07/46/52/936074652.db2.gz VAJCZCPXYWMRIB-HJTPGIPUSA-N 1 0 278.352 3.147 20 5 CGBDRO Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC001334050342 936081777 /nfs/dbraw/zinc/08/17/77/936081777.db2.gz YTWAPKUSWUWUKR-CQSZACIVSA-N 1 0 290.388 3.207 20 5 CGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC001473897972 937828534 /nfs/dbraw/zinc/82/85/34/937828534.db2.gz UHGRTJARWCACEN-HNNXBMFYSA-N 1 0 292.379 3.232 20 5 CGBDRO CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001474029932 937836615 /nfs/dbraw/zinc/83/66/15/937836615.db2.gz ZPSPOHBWZCCDDG-HOCLYGCPSA-N 1 0 292.379 3.136 20 5 CGBDRO CCC[C@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001474319775 937851464 /nfs/dbraw/zinc/85/14/64/937851464.db2.gz SHRQFMXPFIGUJB-MRXNPFEDSA-N 1 0 292.379 3.374 20 5 CGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C1CC1 ZINC001474562753 937867079 /nfs/dbraw/zinc/86/70/79/937867079.db2.gz ZLQYBBYFAUVJCB-OAHLLOKOSA-N 1 0 274.364 3.258 20 5 CGBDRO C[N@@H+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CCC1(C)C ZINC001559249022 938223553 /nfs/dbraw/zinc/22/35/53/938223553.db2.gz UPHOPCLPFHZAHH-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)CCO1 ZINC001560232145 938248271 /nfs/dbraw/zinc/24/82/71/938248271.db2.gz MUACVCWHJWFCLL-GHMZBOCLSA-N 1 0 298.770 3.248 20 5 CGBDRO CC[C@H](C)[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696873 938270495 /nfs/dbraw/zinc/27/04/95/938270495.db2.gz GAGXZIOVBSSWJL-LRDDRELGSA-N 1 0 292.379 3.014 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC001580874852 962743775 /nfs/dbraw/zinc/74/37/75/962743775.db2.gz MCRJTCRTWBHOTP-ZIAGYGMSSA-N 1 0 295.770 3.192 20 5 CGBDRO Cc1cnc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000124388881 187135292 /nfs/dbraw/zinc/13/52/92/187135292.db2.gz ANXYVYPLFKQGEM-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000337986136 214344821 /nfs/dbraw/zinc/34/48/21/214344821.db2.gz AHPNCISNOPHMAX-KGLIPLIRSA-N 1 0 290.363 3.272 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337987051 214345613 /nfs/dbraw/zinc/34/56/13/214345613.db2.gz GHCGSTBTJLLELQ-HUUCEWRRSA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338012886 214359801 /nfs/dbraw/zinc/35/98/01/214359801.db2.gz PAYMSSCCLJYYHS-SWLSCSKDSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000449351127 529442869 /nfs/dbraw/zinc/44/28/69/529442869.db2.gz YEDYSBVQHAEGGV-WOSRLPQWSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449247779 529447059 /nfs/dbraw/zinc/44/70/59/529447059.db2.gz HFNYCMANBYNXSG-DGCLKSJQSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000126177519 187222505 /nfs/dbraw/zinc/22/25/05/187222505.db2.gz PKGOTKWJSKMHAZ-QWHCGFSZSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414287711 529615773 /nfs/dbraw/zinc/61/57/73/529615773.db2.gz UMHBLXSPXZFNHT-HLSYRSCKSA-N 1 0 292.379 3.449 20 5 CGBDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000411767863 529655263 /nfs/dbraw/zinc/65/52/63/529655263.db2.gz GKUSLWYDDNNRNI-LBPRGKRZSA-N 1 0 285.347 3.403 20 5 CGBDRO CC[C@@H]([NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000449635780 529680460 /nfs/dbraw/zinc/68/04/60/529680460.db2.gz CFGPZQIASBKXNP-NKRQLWMJSA-N 1 0 292.379 3.137 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592378742 346980834 /nfs/dbraw/zinc/98/08/34/346980834.db2.gz AHZSINLINHHKTH-RKLVJPFCSA-N 1 0 278.377 3.092 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@@H]1C ZINC000592397040 346983733 /nfs/dbraw/zinc/98/37/33/346983733.db2.gz CDGMXTKULFWEDB-BZPMIXESSA-N 1 0 294.420 3.400 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000047264518 345050117 /nfs/dbraw/zinc/05/01/17/345050117.db2.gz BQYBOKQVHYYDSB-NXEZZACHSA-N 1 0 254.355 3.134 20 5 CGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000047264495 345050127 /nfs/dbraw/zinc/05/01/27/345050127.db2.gz FSGZGJDRQZDECA-UHFFFAOYSA-N 1 0 254.355 3.421 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000046058605 345033944 /nfs/dbraw/zinc/03/39/44/345033944.db2.gz CBFBSWUCBGJHNL-LBPRGKRZSA-N 1 0 266.341 3.094 20 5 CGBDRO Cc1c(C[NH2+]C(C2CC2)C2CC2)cccc1[N+](=O)[O-] ZINC000048346642 345064577 /nfs/dbraw/zinc/06/45/77/345064577.db2.gz XLUAFTILGYZPGA-UHFFFAOYSA-N 1 0 260.337 3.181 20 5 CGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])s1)Cc1ccccc1 ZINC000064029796 345256258 /nfs/dbraw/zinc/25/62/58/345256258.db2.gz CHAMSXYUOYBPNO-UHFFFAOYSA-N 1 0 291.376 3.200 20 5 CGBDRO CC(C)[C@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058670475 345199560 /nfs/dbraw/zinc/19/95/60/345199560.db2.gz GSVHNKHJNAROJB-HNNXBMFYSA-N 1 0 277.368 3.127 20 5 CGBDRO CCC(C)(CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000086246681 345749088 /nfs/dbraw/zinc/74/90/88/345749088.db2.gz RTQLVBNSPPEDDU-UHFFFAOYSA-N 1 0 277.324 3.404 20 5 CGBDRO CC1(C)CCC(O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000087048188 345752859 /nfs/dbraw/zinc/75/28/59/345752859.db2.gz LIKDUFPRKMVXHF-UHFFFAOYSA-N 1 0 298.408 3.077 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H](C)C1 ZINC000083207675 345725057 /nfs/dbraw/zinc/72/50/57/345725057.db2.gz YASSNVFUWJPJNY-GHMZBOCLSA-N 1 0 289.335 3.356 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000090590093 345791795 /nfs/dbraw/zinc/79/17/95/345791795.db2.gz HZDVXENUFQTWSJ-AAEUAGOBSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000092656933 345849913 /nfs/dbraw/zinc/84/99/13/345849913.db2.gz HTBSOVYVXRWFCD-UKRRQHHQSA-N 1 0 291.395 3.070 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](C1CC1)C1CCCC1 ZINC000103466026 345921773 /nfs/dbraw/zinc/92/17/73/345921773.db2.gz GYHRKDKDPAAFBY-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO COc1cc(C[N@H+](C)Cc2ccccc2)ccc1[N+](=O)[O-] ZINC000117831392 345986191 /nfs/dbraw/zinc/98/61/91/345986191.db2.gz NXGILOBXMSIPKO-UHFFFAOYSA-N 1 0 286.331 3.235 20 5 CGBDRO C[N@H+](CCC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000142145906 346110611 /nfs/dbraw/zinc/11/06/11/346110611.db2.gz YWWKDQQQNAEHAY-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCO1 ZINC000172021697 346213984 /nfs/dbraw/zinc/21/39/84/346213984.db2.gz ODDIMDZSVDXIJV-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000300598336 346438599 /nfs/dbraw/zinc/43/85/99/346438599.db2.gz IIKPCBJISKBQAN-LNSITVRQSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000311987310 346475592 /nfs/dbraw/zinc/47/55/92/346475592.db2.gz DYIFFTHNSJRGHV-ONGXEEELSA-N 1 0 270.279 3.433 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000322796905 346490028 /nfs/dbraw/zinc/49/00/28/346490028.db2.gz OZUQCPLBEDOLLX-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO COc1ccc(C[NH+]2CCC3(CCC3)CC2)cc1[N+](=O)[O-] ZINC000586783080 346734558 /nfs/dbraw/zinc/73/45/58/346734558.db2.gz UBEVAEQEZQPADZ-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO CCC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)C ZINC000594020151 347138179 /nfs/dbraw/zinc/13/81/79/347138179.db2.gz CHAZUCVHAFWFOK-UHFFFAOYSA-N 1 0 294.351 3.002 20 5 CGBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594045268 347144004 /nfs/dbraw/zinc/14/40/04/347144004.db2.gz UWLSHXHRIKPPGB-NEPJUHHUSA-N 1 0 284.381 3.094 20 5 CGBDRO CC(C)c1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614363 347203503 /nfs/dbraw/zinc/20/35/03/347203503.db2.gz GBKNGHWWHLEROL-GFCCVEGCSA-N 1 0 292.379 3.063 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594497614 347179111 /nfs/dbraw/zinc/17/91/11/347179111.db2.gz IQLBDILYNJFIDI-PJODQICGSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCC(F)(F)C1 ZINC000594498703 347179412 /nfs/dbraw/zinc/17/94/12/347179412.db2.gz TVUYZQVJAZPGGD-JOYOIKCWSA-N 1 0 282.290 3.360 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000594508206 347182445 /nfs/dbraw/zinc/18/24/45/347182445.db2.gz SJBQAQNFJRCOES-JOYOIKCWSA-N 1 0 284.306 3.463 20 5 CGBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000594996448 347251968 /nfs/dbraw/zinc/25/19/68/347251968.db2.gz BPDTVIADMCJFKF-MRXNPFEDSA-N 1 0 292.379 3.280 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])O1 ZINC000594985317 347249242 /nfs/dbraw/zinc/24/92/42/347249242.db2.gz LFOVABVWYUHFJG-VZFGUZNESA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594985421 347249672 /nfs/dbraw/zinc/24/96/72/347249672.db2.gz MFVDWCJNDNPLGM-DIECRNLCSA-N 1 0 282.290 3.243 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595109261 347285135 /nfs/dbraw/zinc/28/51/35/347285135.db2.gz WAEXSGLBQZPNGG-OCCSQVGLSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595039681 347266114 /nfs/dbraw/zinc/26/61/14/347266114.db2.gz AFJGMJXAKMVSHO-NHYWBVRUSA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595049786 347269110 /nfs/dbraw/zinc/26/91/10/347269110.db2.gz OQBPLNMYUBFBKG-CHWSQXEVSA-N 1 0 285.347 3.444 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595050557 347269207 /nfs/dbraw/zinc/26/92/07/347269207.db2.gz RXAQWQDQNMRPHC-WFASDCNBSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccoc1 ZINC000595083433 347279439 /nfs/dbraw/zinc/27/94/39/347279439.db2.gz DUTAVNVEGHOJDM-AWEZNQCLSA-N 1 0 272.304 3.007 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccoc1 ZINC000595083435 347279904 /nfs/dbraw/zinc/27/99/04/347279904.db2.gz DUTAVNVEGHOJDM-CQSZACIVSA-N 1 0 272.304 3.007 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000595092940 347280947 /nfs/dbraw/zinc/28/09/47/347280947.db2.gz BNJFHJUZFAMNRA-LBPRGKRZSA-N 1 0 274.320 3.471 20 5 CGBDRO CCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096819 347282729 /nfs/dbraw/zinc/28/27/29/347282729.db2.gz MLILFRNFSCCVBJ-UONOGXRCSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595598519 347323554 /nfs/dbraw/zinc/32/35/54/347323554.db2.gz FTMDHGAJGWNCOE-SNVBAGLBSA-N 1 0 276.340 3.092 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595598518 347323642 /nfs/dbraw/zinc/32/36/42/347323642.db2.gz FTMDHGAJGWNCOE-JTQLQIEISA-N 1 0 276.340 3.092 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000595601579 347324090 /nfs/dbraw/zinc/32/40/90/347324090.db2.gz SNNDUEUMMGRORC-LLVKDONJSA-N 1 0 294.351 3.002 20 5 CGBDRO CC[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595764906 347352796 /nfs/dbraw/zinc/35/27/96/347352796.db2.gz GUKHJXVDHCURTP-HNNXBMFYSA-N 1 0 278.352 3.142 20 5 CGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595430527 347303015 /nfs/dbraw/zinc/30/30/15/347303015.db2.gz VQEHQPYVQWDQEP-RYUDHWBXSA-N 1 0 281.356 3.340 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@H]1COc1ccccc1[N+](=O)[O-] ZINC000596239178 347402173 /nfs/dbraw/zinc/40/21/73/347402173.db2.gz PCICZOFORBYKBT-ZDUSSCGKSA-N 1 0 278.352 3.237 20 5 CGBDRO Cc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])s1 ZINC000596257061 347406045 /nfs/dbraw/zinc/40/60/45/347406045.db2.gz KBPAMPFMHVUMFN-FGWVZKOKSA-N 1 0 281.381 3.002 20 5 CGBDRO COCC1([NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000595911087 347371486 /nfs/dbraw/zinc/37/14/86/347371486.db2.gz MLGZTWZDWWBNSE-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO Cc1c(OCc2cccc3c2CC[NH2+]C3)cccc1[N+](=O)[O-] ZINC000596071111 347379402 /nfs/dbraw/zinc/37/94/02/347379402.db2.gz WEXQWFWYTWWYCD-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO Cc1cc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596213193 347399060 /nfs/dbraw/zinc/39/90/60/347399060.db2.gz VYYHFWCXJJSAFN-UHFFFAOYSA-N 1 0 295.408 3.251 20 5 CGBDRO C[C@@H](CCNc1ccc(C(F)F)cc1[N+](=O)[O-])[NH+](C)C ZINC000596428580 347455258 /nfs/dbraw/zinc/45/52/58/347455258.db2.gz FJGKDWCWXRTOCT-VIFPVBQESA-N 1 0 287.310 3.285 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596335108 347421625 /nfs/dbraw/zinc/42/16/25/347421625.db2.gz DXTUQRMDQWPFHN-CYBMUJFWSA-N 1 0 277.368 3.188 20 5 CGBDRO O=[N+]([O-])c1ccccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570039 347481026 /nfs/dbraw/zinc/48/10/26/347481026.db2.gz HNYIJTNUTQYLFQ-AWEZNQCLSA-N 1 0 289.379 3.129 20 5 CGBDRO Cc1cc2c(c(-c3ccc(F)cc3[N+](=O)[O-])c1)C[NH2+]CC2 ZINC000600845192 347840501 /nfs/dbraw/zinc/84/05/01/347840501.db2.gz JVKXVKHOFAUOBD-UHFFFAOYSA-N 1 0 286.306 3.355 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC[C@@H]2CCO2)C2CC2)cc1 ZINC000602438229 347958014 /nfs/dbraw/zinc/95/80/14/347958014.db2.gz CKHGSHCALCOOPY-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCC[C@H]1CCO1)C1CC1 ZINC000602441199 347959303 /nfs/dbraw/zinc/95/93/03/347959303.db2.gz VWSASCFTJFPOHC-HNNXBMFYSA-N 1 0 290.363 3.128 20 5 CGBDRO CC(C)CC[N@H+](Cc1cn(C)nc1[N+](=O)[O-])C1CCCC1 ZINC000602445079 347959399 /nfs/dbraw/zinc/95/93/99/347959399.db2.gz QEFMNNVEHXXAJV-UHFFFAOYSA-N 1 0 294.399 3.119 20 5 CGBDRO CCCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602566721 347984112 /nfs/dbraw/zinc/98/41/12/347984112.db2.gz AWAAHAXSPDPMLW-UHFFFAOYSA-N 1 0 289.335 3.406 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC(F)(F)C3)nc2c1 ZINC000602575330 347986793 /nfs/dbraw/zinc/98/67/93/347986793.db2.gz HBEQAROHLGEFIT-QMMMGPOBSA-N 1 0 297.261 3.013 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCO[C@H]1C ZINC000602762250 348024491 /nfs/dbraw/zinc/02/44/91/348024491.db2.gz DECIOXOPRDASRL-ZFWWWQNUSA-N 1 0 292.379 3.230 20 5 CGBDRO Cc1noc(C[N@@H+](C)C[C@@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000603053400 348056445 /nfs/dbraw/zinc/05/64/45/348056445.db2.gz BJYSRASDLIYXJT-SECBINFHSA-N 1 0 269.345 3.005 20 5 CGBDRO CCOCC(C)(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000339382752 215135693 /nfs/dbraw/zinc/13/56/93/215135693.db2.gz MUCWLASENXVARM-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000603843531 348098265 /nfs/dbraw/zinc/09/82/65/348098265.db2.gz KJYQARMLDRDRTQ-GFCCVEGCSA-N 1 0 250.342 3.380 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000609133546 348336897 /nfs/dbraw/zinc/33/68/97/348336897.db2.gz FZZBWAXOHHXPDK-OAHLLOKOSA-N 1 0 260.337 3.278 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC000610391298 348381019 /nfs/dbraw/zinc/38/10/19/348381019.db2.gz PPOSTANJMKRCDY-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133372 348364100 /nfs/dbraw/zinc/36/41/00/348364100.db2.gz LHSBMBUISJBAFV-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000611293088 348435958 /nfs/dbraw/zinc/43/59/58/348435958.db2.gz DBPCGYMSGAYTBO-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611179622 348427141 /nfs/dbraw/zinc/42/71/41/348427141.db2.gz GIEWCXPAIDEEOP-MWLCHTKSSA-N 1 0 270.279 3.243 20 5 CGBDRO O=[N+]([O-])c1ccc(CN2CC[C@@H](C(F)F)C2)c(Cl)c1 ZINC000611795690 348476702 /nfs/dbraw/zinc/47/67/02/348476702.db2.gz CPVGSSQHQOJZSH-SECBINFHSA-N 1 0 290.697 3.335 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612461858 348521514 /nfs/dbraw/zinc/52/15/14/348521514.db2.gz LWNORTCIXAQRKL-STQMWFEESA-N 1 0 280.368 3.388 20 5 CGBDRO O=[N+]([O-])c1ccsc1NC1CC([NH+]2CCCCC2)C1 ZINC000619503662 349254715 /nfs/dbraw/zinc/25/47/15/349254715.db2.gz PLHMXZIXLCWEAF-UHFFFAOYSA-N 1 0 281.381 3.085 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2cccnc21 ZINC000619611110 349262871 /nfs/dbraw/zinc/26/28/71/349262871.db2.gz KBHNJIYMVZUNPL-OAHLLOKOSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000122263295 187023737 /nfs/dbraw/zinc/02/37/37/187023737.db2.gz IYFAUUMZQMYZDX-NXEZZACHSA-N 1 0 295.770 3.285 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271518937 191189071 /nfs/dbraw/zinc/18/90/71/191189071.db2.gz OBNNMOABFJSACK-WDEREUQCSA-N 1 0 274.324 3.038 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1cccnc1)C1CC1 ZINC000151078039 187942559 /nfs/dbraw/zinc/94/25/59/187942559.db2.gz ZFXDVQJQRQWBSO-MRXNPFEDSA-N 1 0 297.358 3.101 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CCOC)cc1[N+](=O)[O-] ZINC000153466279 188083619 /nfs/dbraw/zinc/08/36/19/188083619.db2.gz ZRIKIOMRJKKHKC-NWDGAFQWSA-N 1 0 296.367 3.069 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000292380550 198266404 /nfs/dbraw/zinc/26/64/04/198266404.db2.gz JOEGUXLOVASGES-NSHDSACASA-N 1 0 298.383 3.309 20 5 CGBDRO C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726168 191293834 /nfs/dbraw/zinc/29/38/34/191293834.db2.gz YTIHPTXLKGINAG-HIFRSBDPSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000412050381 235117430 /nfs/dbraw/zinc/11/74/30/235117430.db2.gz YHRNZSHTDHKMLK-VIFPVBQESA-N 1 0 254.355 3.277 20 5 CGBDRO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000106866656 138356116 /nfs/dbraw/zinc/35/61/16/138356116.db2.gz QEAABZCAYONXPU-MRXNPFEDSA-N 1 0 292.379 3.376 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000111612981 138364810 /nfs/dbraw/zinc/36/48/10/138364810.db2.gz XNPBUDDHQZQYSA-JTQLQIEISA-N 1 0 283.759 3.050 20 5 CGBDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425981420 236276332 /nfs/dbraw/zinc/27/63/32/236276332.db2.gz NPYARNZGPMCWMA-WPRPVWTQSA-N 1 0 288.269 3.359 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426475302 236297548 /nfs/dbraw/zinc/29/75/48/236297548.db2.gz XVOKPRMQMJNIMA-XJKSGUPXSA-N 1 0 290.363 3.238 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000179394090 189191185 /nfs/dbraw/zinc/19/11/85/189191185.db2.gz CWIGAKRZOCJVKK-WDEREUQCSA-N 1 0 278.352 3.443 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC1(C)C ZINC000342218586 216265106 /nfs/dbraw/zinc/26/51/06/216265106.db2.gz FQAQTJOYTCOYCL-CQSZACIVSA-N 1 0 278.352 3.272 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC1(C)C ZINC000342218580 216265628 /nfs/dbraw/zinc/26/56/28/216265628.db2.gz FQAQTJOYTCOYCL-AWEZNQCLSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1(F)CCC1 ZINC000342213476 216262702 /nfs/dbraw/zinc/26/27/02/216262702.db2.gz ODVCTYIETINTNC-ZZXKWVIFSA-N 1 0 278.327 3.480 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181553925 189300361 /nfs/dbraw/zinc/30/03/61/189300361.db2.gz ZERWOEBTYQEJFF-GFCCVEGCSA-N 1 0 286.331 3.460 20 5 CGBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000182163745 189315659 /nfs/dbraw/zinc/31/56/59/189315659.db2.gz SXIIALNMXRSGBS-GXFFZTMASA-N 1 0 298.770 3.248 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301607084 201093371 /nfs/dbraw/zinc/09/33/71/201093371.db2.gz NMWPCIJSXKNCRJ-GFCCVEGCSA-N 1 0 295.358 3.124 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C)CCOCC1 ZINC000537944809 288553862 /nfs/dbraw/zinc/55/38/62/288553862.db2.gz OGJOPJHLDZFKOH-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301787800 201197476 /nfs/dbraw/zinc/19/74/76/201197476.db2.gz PONFNDPJBCUQIK-CQSZACIVSA-N 1 0 291.395 3.375 20 5 CGBDRO C[N@@H+]1CC[C@@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301826159 201219605 /nfs/dbraw/zinc/21/96/05/201219605.db2.gz FAMGAPPXJRHFPW-WBVHZDCISA-N 1 0 297.358 3.452 20 5 CGBDRO Cc1ccc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000301807672 201209841 /nfs/dbraw/zinc/20/98/41/201209841.db2.gz FVSNHPNHOHGAAA-AWEZNQCLSA-N 1 0 291.395 3.436 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCSC1 ZINC000449181489 239228377 /nfs/dbraw/zinc/22/83/77/239228377.db2.gz HRQDPDUKNWMDLJ-DGCLKSJQSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC1(C)C ZINC000449322357 239314591 /nfs/dbraw/zinc/31/45/91/239314591.db2.gz XDQRXIQZBDGBMD-RISCZKNCSA-N 1 0 262.353 3.304 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2OC)CCCC1 ZINC000451278515 240263578 /nfs/dbraw/zinc/26/35/78/240263578.db2.gz VGBIKPDVFLMHHX-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000453392997 240907147 /nfs/dbraw/zinc/90/71/47/240907147.db2.gz ZJPVNCHIKBJCQH-DVOMOZLQSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459739038 242202455 /nfs/dbraw/zinc/20/24/55/242202455.db2.gz APOXQRMAMBQQLP-MCCZJCTISA-N 1 0 272.348 3.386 20 5 CGBDRO Cc1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000463072854 242384615 /nfs/dbraw/zinc/38/46/15/242384615.db2.gz WXNQVXWCMKJTTR-AWEZNQCLSA-N 1 0 291.395 3.214 20 5 CGBDRO C[C@H]([NH2+]C/C=C/c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000486923690 243380032 /nfs/dbraw/zinc/38/00/32/243380032.db2.gz HYTDVVOKXSHTEY-OOPCZODUSA-N 1 0 283.331 3.354 20 5 CGBDRO CC[NH+](CC)CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000019232117 368746020 /nfs/dbraw/zinc/74/60/20/368746020.db2.gz QXCGCDVAELBUJD-UHFFFAOYSA-N 1 0 285.775 3.392 20 5 CGBDRO C[C@H]1C[C@@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492112325 243884045 /nfs/dbraw/zinc/88/40/45/243884045.db2.gz WOMPXIRYPMAVOC-STQMWFEESA-N 1 0 292.379 3.235 20 5 CGBDRO Cc1cccc(NC[C@H](C)C[NH+]2CCCC2)c1[N+](=O)[O-] ZINC000227535609 189785618 /nfs/dbraw/zinc/78/56/18/189785618.db2.gz CNVLLMFTUNHHNV-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051124652 369446821 /nfs/dbraw/zinc/44/68/21/369446821.db2.gz BFMMSSCCQLNYAJ-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000058003188 369553743 /nfs/dbraw/zinc/55/37/43/369553743.db2.gz KIVJZBJYDYXGKS-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO O=[N+]([O-])c1ccc(CN2CCc3ccsc3C2)cc1 ZINC000060193950 369584611 /nfs/dbraw/zinc/58/46/11/369584611.db2.gz HSPQRDPQEBAFCD-UHFFFAOYSA-N 1 0 274.345 3.215 20 5 CGBDRO C[C@H]([NH2+]CCC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000063099208 369639380 /nfs/dbraw/zinc/63/93/80/369639380.db2.gz JVPBLFQDZSNQED-QMMMGPOBSA-N 1 0 262.231 3.198 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093760773 370156629 /nfs/dbraw/zinc/15/66/29/370156629.db2.gz RPXWLXADMUMERW-BTKRWWFXSA-N 1 0 292.404 3.435 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](c1ccco1)[NH+](C)C ZINC000109317199 370362079 /nfs/dbraw/zinc/36/20/79/370362079.db2.gz OSNPMHJJQWFDNJ-ZDUSSCGKSA-N 1 0 289.335 3.211 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000134552735 371348784 /nfs/dbraw/zinc/34/87/84/371348784.db2.gz VZNHEPPPEMGWFZ-ZDUSSCGKSA-N 1 0 280.393 3.312 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000135166042 371396971 /nfs/dbraw/zinc/39/69/71/371396971.db2.gz VEQZMYQQNNEUPA-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO Cc1ccc([C@@H](C)N[C@@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139028864 371506694 /nfs/dbraw/zinc/50/66/94/371506694.db2.gz GNDLIFBAONYGRM-MNOVXSKESA-N 1 0 274.324 3.038 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000149727678 371529451 /nfs/dbraw/zinc/52/94/51/371529451.db2.gz YIZAWWREBDLPMZ-GXFFZTMASA-N 1 0 266.366 3.141 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCc1ccccc1)C2 ZINC000153145462 371753042 /nfs/dbraw/zinc/75/30/42/371753042.db2.gz IBCPKCISRYGUJG-UHFFFAOYSA-N 1 0 282.343 3.196 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000337324169 214005708 /nfs/dbraw/zinc/00/57/08/214005708.db2.gz AYRSJZCMCKVSII-NEPJUHHUSA-N 1 0 266.341 3.059 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000290247943 371945211 /nfs/dbraw/zinc/94/52/11/371945211.db2.gz TWYPAVWSXHRUML-UONOGXRCSA-N 1 0 266.341 3.061 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000290300077 371957802 /nfs/dbraw/zinc/95/78/02/371957802.db2.gz BDTAARRDWKRIDK-INIZCTEOSA-N 1 0 292.379 3.030 20 5 CGBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156570311 371984724 /nfs/dbraw/zinc/98/47/24/371984724.db2.gz RWIGLZIHKDWHAL-DZGCQCFKSA-N 1 0 291.395 3.038 20 5 CGBDRO CCOC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000159374640 372136305 /nfs/dbraw/zinc/13/63/05/372136305.db2.gz MKIRSCILOHXWTA-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CO[C@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291277963 372152030 /nfs/dbraw/zinc/15/20/30/372152030.db2.gz QZDJQJFFXNRVQW-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159631411 372163395 /nfs/dbraw/zinc/16/33/95/372163395.db2.gz IHSGSJLTZYCACR-JSGCOSHPSA-N 1 0 260.337 3.359 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159291091 372126321 /nfs/dbraw/zinc/12/63/21/372126321.db2.gz ZJRIMCVUJIPBSZ-NSHDSACASA-N 1 0 266.341 3.061 20 5 CGBDRO CC[NH+]1CCC(N[C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000159292017 372127207 /nfs/dbraw/zinc/12/72/07/372127207.db2.gz UDMHKMJYQNYOTA-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998789 372294809 /nfs/dbraw/zinc/29/48/09/372294809.db2.gz YKVOHTAXEBUCJL-SNPRPXQTSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161110961 372302074 /nfs/dbraw/zinc/30/20/74/372302074.db2.gz YPGYQBHZMGZLFL-XPKDYRNWSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000161292584 372314059 /nfs/dbraw/zinc/31/40/59/372314059.db2.gz AVTHSPYSXILQPB-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000430200139 372386115 /nfs/dbraw/zinc/38/61/15/372386115.db2.gz FWOFVBJCZACDQF-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000162712899 372413326 /nfs/dbraw/zinc/41/33/26/372413326.db2.gz GQQBZWQFZOMQTK-SNVBAGLBSA-N 1 0 254.355 3.325 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000163164520 372451605 /nfs/dbraw/zinc/45/16/05/372451605.db2.gz XEGMNEXWIKAKII-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000163368041 372463755 /nfs/dbraw/zinc/46/37/55/372463755.db2.gz MPCSOXFLCBVTHB-GUTXKFCHSA-N 1 0 292.379 3.105 20 5 CGBDRO COC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000165914753 372557711 /nfs/dbraw/zinc/55/77/11/372557711.db2.gz MBRLVIDNOXTZST-IUODEOHRSA-N 1 0 280.368 3.225 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294318140 372649315 /nfs/dbraw/zinc/64/93/15/372649315.db2.gz WLFAFYBVTQOTMR-ZOWXZIJZSA-N 1 0 280.368 3.307 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)cc1 ZINC000295852169 372935688 /nfs/dbraw/zinc/93/56/88/372935688.db2.gz BGOVYXNPYMOBPM-UHFFFAOYSA-N 1 0 275.352 3.024 20 5 CGBDRO CS[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052480 373006632 /nfs/dbraw/zinc/00/66/32/373006632.db2.gz AYZNAKCRDUBWFG-DGCLKSJQSA-N 1 0 280.393 3.402 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000441452378 373015535 /nfs/dbraw/zinc/01/55/35/373015535.db2.gz UIOIWDSCRDZFGP-WCFLWFBJSA-N 1 0 260.337 3.244 20 5 CGBDRO CSCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344832637 217327381 /nfs/dbraw/zinc/32/73/81/217327381.db2.gz SMGHMLKKXSJHLX-FMIVXFBMSA-N 1 0 280.393 3.341 20 5 CGBDRO COCCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344823024 217322186 /nfs/dbraw/zinc/32/21/86/217322186.db2.gz KWCOYNAEQWMCIH-JLHYYAGUSA-N 1 0 278.352 3.014 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000296599642 373191126 /nfs/dbraw/zinc/19/11/26/373191126.db2.gz VMHJAFCPZKGDRR-FZMZJTMJSA-N 1 0 278.352 3.121 20 5 CGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000447057713 373396150 /nfs/dbraw/zinc/39/61/50/373396150.db2.gz DUSPYFZIOLGMET-MRXNPFEDSA-N 1 0 292.379 3.376 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447533607 373445874 /nfs/dbraw/zinc/44/58/74/373445874.db2.gz RWFCJJVWIALNTH-CVEARBPZSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123417 373670173 /nfs/dbraw/zinc/67/01/73/373670173.db2.gz ZQWJBYDGPIZFEK-OLZOCXBDSA-N 1 0 277.368 3.127 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH2+]C2CCCCC2)n1 ZINC000178166903 373751368 /nfs/dbraw/zinc/75/13/68/373751368.db2.gz CIUFIVZXEUWIQN-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000181369256 374114341 /nfs/dbraw/zinc/11/43/41/374114341.db2.gz AQCGLXFWOXQXSI-CYBMUJFWSA-N 1 0 286.331 3.324 20 5 CGBDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313715381 374304407 /nfs/dbraw/zinc/30/44/07/374304407.db2.gz VCZPYYLSZWLFLZ-ZIAGYGMSSA-N 1 0 298.383 3.498 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000314401694 374317906 /nfs/dbraw/zinc/31/79/06/374317906.db2.gz FBDHXAVXPCIPJT-BFHYXJOUSA-N 1 0 292.379 3.044 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314187625 374313833 /nfs/dbraw/zinc/31/38/33/374313833.db2.gz NRXACKKYOPQXQZ-XPKDYRNWSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453367757 374453453 /nfs/dbraw/zinc/45/34/53/374453453.db2.gz OXOGDEQUVPLMNL-DGFSRKRXSA-N 1 0 260.337 3.292 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417990 374531356 /nfs/dbraw/zinc/53/13/56/374531356.db2.gz DKHUMSJWEHGHTP-IINYFYTJSA-N 1 0 288.351 3.092 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467491 374534922 /nfs/dbraw/zinc/53/49/22/374534922.db2.gz KBKILMDFQBTVHA-GHMZBOCLSA-N 1 0 288.351 3.234 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000187992707 375135409 /nfs/dbraw/zinc/13/54/09/375135409.db2.gz IHQQTYSDYHTRSQ-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+]C/C=C/c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000487553648 375253086 /nfs/dbraw/zinc/25/30/86/375253086.db2.gz RJEMFHDOVPPNJQ-IHVVCDCBSA-N 1 0 283.331 3.354 20 5 CGBDRO CCC1(C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000507205437 375687312 /nfs/dbraw/zinc/68/73/12/375687312.db2.gz MTIURIQGFAKDTF-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000519521462 375841542 /nfs/dbraw/zinc/84/15/42/375841542.db2.gz AFXVXEWMLACBSI-IAZYJMLFSA-N 1 0 298.770 3.294 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336812201 375964953 /nfs/dbraw/zinc/96/49/53/375964953.db2.gz QMPRFXAYVANWHM-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1C[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000536655823 376111492 /nfs/dbraw/zinc/11/14/92/376111492.db2.gz HTZOQDJSTJNJFS-BXLSQVKPSA-N 1 0 292.404 3.434 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000537078064 376146762 /nfs/dbraw/zinc/14/67/62/376146762.db2.gz QTRPHFSTSUXHER-DTWKUNHWSA-N 1 0 276.258 3.444 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000537257551 376157702 /nfs/dbraw/zinc/15/77/02/376157702.db2.gz UHNKMVXYPQKAGP-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000218162653 376184178 /nfs/dbraw/zinc/18/41/78/376184178.db2.gz UCBHVLMERIVDKC-UHFFFAOYSA-N 1 0 281.315 3.366 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537989021 376217533 /nfs/dbraw/zinc/21/75/33/376217533.db2.gz ZWIOTZGUMQCZLY-JSGCOSHPSA-N 1 0 280.368 3.105 20 5 CGBDRO CC[C@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000222251086 376233114 /nfs/dbraw/zinc/23/31/14/376233114.db2.gz QLZGWFRRVNFIFX-HNNXBMFYSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(C2CC2)CC1 ZINC000539657036 376324740 /nfs/dbraw/zinc/32/47/40/376324740.db2.gz QOAPZIRAASMBHN-GFCCVEGCSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(C2CC2)CC1 ZINC000539657037 376325324 /nfs/dbraw/zinc/32/53/24/376325324.db2.gz QOAPZIRAASMBHN-LBPRGKRZSA-N 1 0 274.364 3.448 20 5 CGBDRO CCCn1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000227284213 376385881 /nfs/dbraw/zinc/38/58/81/376385881.db2.gz WRSCYTFIYGBNKG-LBPRGKRZSA-N 1 0 288.351 3.052 20 5 CGBDRO C[NH+]1CCC(CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000229946855 376477597 /nfs/dbraw/zinc/47/75/97/376477597.db2.gz VUHGMQSMLIFQBZ-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142517 376486725 /nfs/dbraw/zinc/48/67/25/376486725.db2.gz BINPNMYDNZFSNE-LLVKDONJSA-N 1 0 299.802 3.068 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000233849324 376605196 /nfs/dbraw/zinc/60/51/96/376605196.db2.gz HWEMJRBPYFEDTR-OCCSQVGLSA-N 1 0 280.393 3.359 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000543435162 376641328 /nfs/dbraw/zinc/64/13/28/376641328.db2.gz IXTWQDBTUZWUEE-ZDUSSCGKSA-N 1 0 291.395 3.070 20 5 CGBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000543856895 376684503 /nfs/dbraw/zinc/68/45/03/376684503.db2.gz OOVZCSPXIZXNAM-UWVGGRQHSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000544440353 376737697 /nfs/dbraw/zinc/73/76/97/376737697.db2.gz HOUIBTRAMTUECU-CYBMUJFWSA-N 1 0 297.358 3.152 20 5 CGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245469609 376824841 /nfs/dbraw/zinc/82/48/41/376824841.db2.gz VIOGIHQMPFVFOD-CZUORRHYSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000340472158 377083696 /nfs/dbraw/zinc/08/36/96/377083696.db2.gz ZVPARQKHWIICNT-GHMZBOCLSA-N 1 0 254.305 3.302 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)[C@H]1C ZINC000248644661 377373810 /nfs/dbraw/zinc/37/38/10/377373810.db2.gz SBPLQHWBJZXDRS-VXGBXAGGSA-N 1 0 280.393 3.229 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1ccc(F)cc1 ZINC000516667171 249241526 /nfs/dbraw/zinc/24/15/26/249241526.db2.gz ZBRWMZKAQOHNSZ-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1C ZINC000251899718 377602003 /nfs/dbraw/zinc/60/20/03/377602003.db2.gz QXDVHYSATKFFMI-DVOMOZLQSA-N 1 0 292.379 3.321 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000578215746 378046889 /nfs/dbraw/zinc/04/68/89/378046889.db2.gz IJPKWBIKHQHQPM-YIKOMLBNSA-N 1 0 292.379 3.305 20 5 CGBDRO CC1(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000581034869 378276367 /nfs/dbraw/zinc/27/63/67/378276367.db2.gz QEWMZQRRXOZSTF-UHFFFAOYSA-N 1 0 273.336 3.008 20 5 CGBDRO CCC1(CO)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270910968 378413477 /nfs/dbraw/zinc/41/34/77/378413477.db2.gz QCDBIGLXQHSPHJ-ZDUSSCGKSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272044395 378551301 /nfs/dbraw/zinc/55/13/01/378551301.db2.gz WNLLANSQAKJUCP-ZBFHGGJFSA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCOC2CCC2)cc1[N+](=O)[O-] ZINC000272178274 378579036 /nfs/dbraw/zinc/57/90/36/378579036.db2.gz FINZSXFETZGZPE-GFCCVEGCSA-N 1 0 278.352 3.123 20 5 CGBDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000271967028 378531996 /nfs/dbraw/zinc/53/19/96/378531996.db2.gz HEOMSNPGELSKAF-CABCVRRESA-N 1 0 292.379 3.278 20 5 CGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000266216049 190241050 /nfs/dbraw/zinc/24/10/50/190241050.db2.gz OYCMLANHYCAVTP-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000348183929 378827843 /nfs/dbraw/zinc/82/78/43/378827843.db2.gz VTEXNPLZIUEJCN-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000274646911 378869551 /nfs/dbraw/zinc/86/95/51/378869551.db2.gz KRXKKAFZKJABCC-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277005138 379043646 /nfs/dbraw/zinc/04/36/46/379043646.db2.gz ILZBIOZTCWZENO-LLVKDONJSA-N 1 0 297.786 3.169 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278706861 194114554 /nfs/dbraw/zinc/11/45/54/194114554.db2.gz OEFZERNFLADHSR-JTQLQIEISA-N 1 0 288.351 3.139 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278819588 194169310 /nfs/dbraw/zinc/16/93/10/194169310.db2.gz ZGZSZGFHOIDNLP-ZDUSSCGKSA-N 1 0 288.351 3.139 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccnc1 ZINC000350117166 379511713 /nfs/dbraw/zinc/51/17/13/379511713.db2.gz XVBLKYOHLQGYJX-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000377244911 379653095 /nfs/dbraw/zinc/65/30/95/379653095.db2.gz MUODNBQGMBXJSL-HNNXBMFYSA-N 1 0 297.358 3.054 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000267208424 190312283 /nfs/dbraw/zinc/31/22/83/190312283.db2.gz QDKHVKPGRLWNQY-UHFFFAOYSA-N 1 0 289.379 3.414 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000282119622 379856993 /nfs/dbraw/zinc/85/69/93/379856993.db2.gz JKSFMDQQKPRGLZ-CQSZACIVSA-N 1 0 276.336 3.026 20 5 CGBDRO CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000284067848 380121917 /nfs/dbraw/zinc/12/19/17/380121917.db2.gz KNVZZJWYTOHBNW-UHFFFAOYSA-N 1 0 281.312 3.122 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000286350128 380199854 /nfs/dbraw/zinc/19/98/54/380199854.db2.gz XTAYZVSKYXSQPY-KBPBESRZSA-N 1 0 280.393 3.359 20 5 CGBDRO CO[C@]1(C)C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963902 380255680 /nfs/dbraw/zinc/25/56/80/380255680.db2.gz YVKKIKLBBFSMSN-GOEBONIOSA-N 1 0 292.379 3.230 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414494657 380270383 /nfs/dbraw/zinc/27/03/83/380270383.db2.gz AHFMJDGVEGGCRD-WBMJQRKESA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000354019677 380282122 /nfs/dbraw/zinc/28/21/22/380282122.db2.gz ZTVRPHMCPWWHMK-SUZMYJTESA-N 1 0 280.393 3.305 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000414515287 380289904 /nfs/dbraw/zinc/28/99/04/380289904.db2.gz NBUUYALUEVOSAN-IDQGUHCJSA-N 1 0 290.363 3.011 20 5 CGBDRO O=[N+]([O-])c1cc(CNCC[NH2+]C2CCCCCC2)cs1 ZINC000414805635 380418393 /nfs/dbraw/zinc/41/83/93/380418393.db2.gz LZTHMPBBUXKHSB-UHFFFAOYSA-N 1 0 297.424 3.058 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417327590 380594331 /nfs/dbraw/zinc/59/43/31/380594331.db2.gz BRQAASXSZSRUFH-WFASDCNBSA-N 1 0 280.368 3.307 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)F)CC2)c(Cl)c1 ZINC000355165640 380606937 /nfs/dbraw/zinc/60/69/37/380606937.db2.gz PPUQUAFRXJXDSU-UHFFFAOYSA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000357725817 381266260 /nfs/dbraw/zinc/26/62/60/381266260.db2.gz DJUNHYMPEUUDCQ-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000357876064 381284830 /nfs/dbraw/zinc/28/48/30/381284830.db2.gz WJTAUSJKGITFPF-DUVNUKRYSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@@H]([NH2+]C[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399369 381730816 /nfs/dbraw/zinc/73/08/16/381730816.db2.gz DSXDXNSQVUZDNO-CABCVRRESA-N 1 0 278.352 3.062 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+](CC1CC1)C1CCC1 ZINC000361577594 381816179 /nfs/dbraw/zinc/81/61/79/381816179.db2.gz LSIAQUBTEZRXOI-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000362393547 381972808 /nfs/dbraw/zinc/97/28/08/381972808.db2.gz PNLKKLVQLZINTM-VXGBXAGGSA-N 1 0 280.393 3.483 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000362442295 381992289 /nfs/dbraw/zinc/99/22/89/381992289.db2.gz WDCXUUOXTCEXAU-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250737184 542344055 /nfs/dbraw/zinc/34/40/55/542344055.db2.gz CFBAGTGYUKNMPZ-NEPJUHHUSA-N 1 0 295.770 3.287 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000291270507 285115183 /nfs/dbraw/zinc/11/51/83/285115183.db2.gz QOTBPRPWPCSPEV-QGZVFWFLSA-N 1 0 298.342 3.468 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCSC1)CCC2 ZINC000448027429 285143764 /nfs/dbraw/zinc/14/37/64/285143764.db2.gz MYHOBNDTESZEMP-NHYWBVRUSA-N 1 0 292.404 3.315 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000286861668 196721553 /nfs/dbraw/zinc/72/15/53/196721553.db2.gz BDEWTHXEEWJROH-RYUDHWBXSA-N 1 0 280.393 3.389 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361239569 392262396 /nfs/dbraw/zinc/26/23/96/392262396.db2.gz VYMIXAGNMIWHGH-CABCVRRESA-N 1 0 292.379 3.277 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000123264302 392425909 /nfs/dbraw/zinc/42/59/09/392425909.db2.gz URHGLIUCNSAVGP-UWVGGRQHSA-N 1 0 252.289 3.107 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841367 392434389 /nfs/dbraw/zinc/43/43/89/392434389.db2.gz KFVNRLASDIJEKP-SWLSCSKDSA-N 1 0 280.368 3.139 20 5 CGBDRO COCC(C)(C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000291792518 392483759 /nfs/dbraw/zinc/48/37/59/392483759.db2.gz WJKBMKQLBWQIAM-UHFFFAOYSA-N 1 0 286.759 3.010 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000330657635 392693017 /nfs/dbraw/zinc/69/30/17/392693017.db2.gz PWCXIOPVALNVIV-ZLDLUXBVSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581046 392675932 /nfs/dbraw/zinc/67/59/32/392675932.db2.gz DQJLKSMDZFISQI-JSGCOSHPSA-N 1 0 291.395 3.436 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000510662922 392808349 /nfs/dbraw/zinc/80/83/49/392808349.db2.gz INNNRLLINUOHBX-GJZGRUSLSA-N 1 0 274.364 3.306 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000510662924 392808822 /nfs/dbraw/zinc/80/88/22/392808822.db2.gz INNNRLLINUOHBX-LSDHHAIUSA-N 1 0 274.364 3.306 20 5 CGBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000221028348 393004149 /nfs/dbraw/zinc/00/41/49/393004149.db2.gz PVUUCMWSRPFKGN-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO CC[C@@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ncc[nH]1 ZINC000221225195 393007874 /nfs/dbraw/zinc/00/78/74/393007874.db2.gz NRSJPSIVJFVZEC-SNVBAGLBSA-N 1 0 282.250 3.159 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccco1 ZINC000468638315 393156993 /nfs/dbraw/zinc/15/69/93/393156993.db2.gz ASFOVCLKTKVHSW-WQLSENKSSA-N 1 0 272.304 3.381 20 5 CGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000270631653 393239720 /nfs/dbraw/zinc/23/97/20/393239720.db2.gz HPWFNNMFMJAEKG-DZGCQCFKSA-N 1 0 292.379 3.278 20 5 CGBDRO CCN(CCC[NH+](C)C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000471633877 393288882 /nfs/dbraw/zinc/28/88/82/393288882.db2.gz KMZKXPUTVPVCLB-UHFFFAOYSA-N 1 0 285.775 3.026 20 5 CGBDRO [NH3+][C@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000420219574 393439091 /nfs/dbraw/zinc/43/90/91/393439091.db2.gz QTTOGUIKBPRNLW-SECBINFHSA-N 1 0 290.150 3.051 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000430213183 393540842 /nfs/dbraw/zinc/54/08/42/393540842.db2.gz RZEPICIETBMIKR-GFCCVEGCSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568803 393484821 /nfs/dbraw/zinc/48/48/21/393484821.db2.gz PNVLOTCDSGZINY-ZYHUDNBSSA-N 1 0 266.316 3.354 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC1CCCC1 ZINC000430226763 393543281 /nfs/dbraw/zinc/54/32/81/393543281.db2.gz PLUNSPXYQSUDTI-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429769387 393501042 /nfs/dbraw/zinc/50/10/42/393501042.db2.gz IHFAXOUVUICSNB-STQMWFEESA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000430109912 393524093 /nfs/dbraw/zinc/52/40/93/393524093.db2.gz WJMARJKIWUUNRN-KGLIPLIRSA-N 1 0 296.317 3.380 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000430207475 393539421 /nfs/dbraw/zinc/53/94/21/393539421.db2.gz QQADIXBXXUSHMB-BETUJISGSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154855 393687566 /nfs/dbraw/zinc/68/75/66/393687566.db2.gz QZGURYBRNXNAPO-TZMCWYRMSA-N 1 0 293.411 3.284 20 5 CGBDRO CC(C)(NCc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000492227177 393705449 /nfs/dbraw/zinc/70/54/49/393705449.db2.gz QLGILLFUPUBPKG-UHFFFAOYSA-N 1 0 260.293 3.213 20 5 CGBDRO C[C@@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000453149832 394188901 /nfs/dbraw/zinc/18/89/01/394188901.db2.gz MURBTJUFPVUDGO-AWEZNQCLSA-N 1 0 299.374 3.491 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000408174909 292295887 /nfs/dbraw/zinc/29/58/87/292295887.db2.gz ODNFIPQSOLQXPX-ZDUSSCGKSA-N 1 0 290.363 3.077 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCc2ccccc21 ZINC000062726316 286960671 /nfs/dbraw/zinc/96/06/71/286960671.db2.gz JXPGBOVZRRIPAA-MRXNPFEDSA-N 1 0 282.343 3.414 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726394 286960690 /nfs/dbraw/zinc/96/06/90/286960690.db2.gz UGXRCIKQUPANDA-NEPJUHHUSA-N 1 0 250.342 3.162 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000065208697 165032414 /nfs/dbraw/zinc/03/24/14/165032414.db2.gz XTNQJISZGLURAO-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000094266057 165345238 /nfs/dbraw/zinc/34/52/38/165345238.db2.gz DZHRXSDVWKHOCW-CQSZACIVSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000094472778 165351950 /nfs/dbraw/zinc/35/19/50/165351950.db2.gz XGRGCFRDDTXDLZ-SCVCMEIPSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1cscc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000094878235 165396183 /nfs/dbraw/zinc/39/61/83/165396183.db2.gz DZNNHHXPYYVYDY-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000093443009 287116651 /nfs/dbraw/zinc/11/66/51/287116651.db2.gz ZXTGVXGPAQWWSC-GNKZJXQNSA-N 1 0 272.348 3.340 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000020121825 171001483 /nfs/dbraw/zinc/00/14/83/171001483.db2.gz KNQOGBIEAXCCDF-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO CC[N@H+](C)Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000126288727 287261317 /nfs/dbraw/zinc/26/13/17/287261317.db2.gz MOKVFQAUTADXHJ-UHFFFAOYSA-N 1 0 290.319 3.315 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308106 172121818 /nfs/dbraw/zinc/12/18/18/172121818.db2.gz FSNJCQDVZYUFMP-ZWNOBZJWSA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1cccc(CCC[NH2+]Cc2ccccc2[N+](=O)[O-])n1 ZINC000285444250 196285970 /nfs/dbraw/zinc/28/59/70/196285970.db2.gz FWBAKTGBGSUSGV-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO CCOC1CC(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000285679023 196364179 /nfs/dbraw/zinc/36/41/79/196364179.db2.gz QKXZRIKVSUDFIF-OPFPJEHXSA-N 1 0 292.379 3.369 20 5 CGBDRO C[N@@H+]1CCC[C@@H]1CCSCc1ccc([N+](=O)[O-])cc1 ZINC000126959567 287277594 /nfs/dbraw/zinc/27/75/94/287277594.db2.gz IITMOVFSUJFESM-CYBMUJFWSA-N 1 0 280.393 3.312 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000127577061 287291071 /nfs/dbraw/zinc/29/10/71/287291071.db2.gz GFZSQKKANXKTTL-ZIAGYGMSSA-N 1 0 293.411 3.284 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130590856 287359004 /nfs/dbraw/zinc/35/90/04/287359004.db2.gz SJLRLKGTALVBFI-UKRRQHHQSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000130964850 287367534 /nfs/dbraw/zinc/36/75/34/287367534.db2.gz XGKLEYHYXGDJPO-CHWSQXEVSA-N 1 0 291.395 3.037 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CC2 ZINC000424334178 533682830 /nfs/dbraw/zinc/68/28/30/533682830.db2.gz YSKBZRKJSUEKNB-FZMZJTMJSA-N 1 0 260.337 3.058 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361763488 261389428 /nfs/dbraw/zinc/38/94/28/261389428.db2.gz DWPFNWVHILNXGF-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000303028927 270091975 /nfs/dbraw/zinc/09/19/75/270091975.db2.gz SXXAXAREXCJPST-MCIONIFRSA-N 1 0 291.395 3.373 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCCC[NH+]1CCCC1 ZINC000531689077 270208941 /nfs/dbraw/zinc/20/89/41/270208941.db2.gz NEEWARZCBLDFMR-CQSZACIVSA-N 1 0 291.395 3.040 20 5 CGBDRO CC(C)(C)CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000532038555 270213113 /nfs/dbraw/zinc/21/31/13/270213113.db2.gz TUWAWHQZOWZEPX-UHFFFAOYSA-N 1 0 262.353 3.389 20 5 CGBDRO COCCCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279036626 274018814 /nfs/dbraw/zinc/01/88/14/274018814.db2.gz JANFWXMNXFQTTA-HNNXBMFYSA-N 1 0 292.379 3.333 20 5 CGBDRO COC[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000265446118 274051614 /nfs/dbraw/zinc/05/16/14/274051614.db2.gz VWAURDQJQRVTGD-MRXNPFEDSA-N 1 0 295.382 3.090 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCF ZINC000281193831 287910170 /nfs/dbraw/zinc/91/01/70/287910170.db2.gz XSMMLXJCEXBGML-SNVBAGLBSA-N 1 0 272.345 3.025 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000394743252 288003550 /nfs/dbraw/zinc/00/35/50/288003550.db2.gz TVEOTFYMCLRGGY-CQSZACIVSA-N 1 0 260.337 3.407 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340461260 278302820 /nfs/dbraw/zinc/30/28/20/278302820.db2.gz MHEYUTSZFWMSHA-QMTHXVAHSA-N 1 0 266.316 3.310 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459745688 288100609 /nfs/dbraw/zinc/10/06/09/288100609.db2.gz NBGRKISSPSYUGV-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCSC1 ZINC000530365981 288301760 /nfs/dbraw/zinc/30/17/60/288301760.db2.gz JVXLTWDFORZSML-WDEREUQCSA-N 1 0 266.366 3.059 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000531527872 288337223 /nfs/dbraw/zinc/33/72/23/288337223.db2.gz XDPSKKMCUNTLAP-LLVKDONJSA-N 1 0 254.355 3.134 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(CN2CC[C@H](CC3CC3)C2)c(F)c1 ZINC000550405552 289075861 /nfs/dbraw/zinc/07/58/61/289075861.db2.gz SSQAOSLOAZEYOB-LLVKDONJSA-N 1 0 296.317 3.495 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)O ZINC000551272628 289106977 /nfs/dbraw/zinc/10/69/77/289106977.db2.gz LULDIYYFMBORHR-FZMZJTMJSA-N 1 0 280.368 3.103 20 5 CGBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000552246584 289175090 /nfs/dbraw/zinc/17/50/90/289175090.db2.gz YWEHAIIFHPQKTD-KBPBESRZSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1c(C[NH2+]CC2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000555104655 289328540 /nfs/dbraw/zinc/32/85/40/289328540.db2.gz OPEYAKHZILLHKH-UHFFFAOYSA-N 1 0 296.370 3.408 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000558687767 289511991 /nfs/dbraw/zinc/51/19/91/289511991.db2.gz CRDYDXWJHFAZJN-CDGCEXEKSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000562909834 289741864 /nfs/dbraw/zinc/74/18/64/289741864.db2.gz SAGJBEGKFMLMJW-DOMZBBRYSA-N 1 0 292.379 3.332 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192615040 290014218 /nfs/dbraw/zinc/01/42/18/290014218.db2.gz SSVLCDVNVFGUDA-ZUZCIYMTSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000563764939 322009297 /nfs/dbraw/zinc/00/92/97/322009297.db2.gz QGGALOLIDYKLEM-OHUAYANFSA-N 1 0 287.363 3.253 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000566877721 322141729 /nfs/dbraw/zinc/14/17/29/322141729.db2.gz XRJXKISMJQCQSM-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO CCC(CC)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000568830361 322223834 /nfs/dbraw/zinc/22/38/34/322223834.db2.gz JTEKKRPDWBZFHC-KGLIPLIRSA-N 1 0 294.399 3.301 20 5 CGBDRO CCC(CC)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000568830362 322223927 /nfs/dbraw/zinc/22/39/27/322223927.db2.gz JTEKKRPDWBZFHC-UONOGXRCSA-N 1 0 294.399 3.301 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCOCC1CCC1 ZINC000569870211 322259447 /nfs/dbraw/zinc/25/94/47/322259447.db2.gz SDFDIWLZDDUQHM-XBXARRHUSA-N 1 0 290.363 3.014 20 5 CGBDRO CC(C)[C@@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000570950859 322286158 /nfs/dbraw/zinc/28/61/58/322286158.db2.gz JTKNHUVYEVNYOE-AWEZNQCLSA-N 1 0 262.353 3.461 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@H]1C ZINC000571947145 322313163 /nfs/dbraw/zinc/31/31/63/322313163.db2.gz QCCPDKDPAMVLBV-TZMCWYRMSA-N 1 0 262.353 3.461 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[C@@H]3C3CC3)c2c1 ZINC000584195839 327063008 /nfs/dbraw/zinc/06/30/08/327063008.db2.gz TWWCDYXPZHJMGI-ZBFHGGJFSA-N 1 0 299.374 3.397 20 5 CGBDRO CO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000583093346 329315010 /nfs/dbraw/zinc/31/50/10/329315010.db2.gz HXVWPHYZGUOKMF-DZGCQCFKSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H](CC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000449285782 533721530 /nfs/dbraw/zinc/72/15/30/533721530.db2.gz SMBUDTXODYZAAP-SNVBAGLBSA-N 1 0 290.367 3.385 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C2CC2)c([N+](=O)[O-])cc1F ZINC000372063537 533808833 /nfs/dbraw/zinc/80/88/33/533808833.db2.gz SEUMEIIGOLHYQC-ZDUSSCGKSA-N 1 0 294.326 3.117 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812208 520631746 /nfs/dbraw/zinc/63/17/46/520631746.db2.gz HPKDWADWNLTCFH-CYBMUJFWSA-N 1 0 294.399 3.221 20 5 CGBDRO COC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000162226832 522633429 /nfs/dbraw/zinc/63/34/29/522633429.db2.gz XUSDQSYFOBHPLC-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC34CC4)o2)cc1 ZINC000424188254 534881386 /nfs/dbraw/zinc/88/13/86/534881386.db2.gz XUICYRMXRWLDLI-OAHLLOKOSA-N 1 0 284.315 3.497 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000357775376 527992592 /nfs/dbraw/zinc/99/25/92/527992592.db2.gz PFJHZBCUYUMURP-CYBMUJFWSA-N 1 0 294.399 3.139 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000357775377 528000457 /nfs/dbraw/zinc/00/04/57/528000457.db2.gz PFJHZBCUYUMURP-ZDUSSCGKSA-N 1 0 294.399 3.139 20 5 CGBDRO CCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449063580 528215625 /nfs/dbraw/zinc/21/56/25/528215625.db2.gz MZMGJMKRHHSAID-LBPRGKRZSA-N 1 0 250.342 3.306 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154584582 528225185 /nfs/dbraw/zinc/22/51/85/528225185.db2.gz PIEKYCKDVJAROB-CVEARBPZSA-N 1 0 291.395 3.120 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449327933 528568480 /nfs/dbraw/zinc/56/84/80/528568480.db2.gz GYDUTLJGJNWAKO-ZDUSSCGKSA-N 1 0 294.395 3.178 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294698 528822145 /nfs/dbraw/zinc/82/21/45/528822145.db2.gz CSTDHIVGUAZQHD-STQMWFEESA-N 1 0 279.384 3.071 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459641259 534926111 /nfs/dbraw/zinc/92/61/11/534926111.db2.gz YLMRRBJXEDIOPT-GWJAVYCQSA-N 1 0 290.363 3.154 20 5 CGBDRO CCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451523488 535633108 /nfs/dbraw/zinc/63/31/08/535633108.db2.gz JOEIFRJZTQVRLJ-LRDDRELGSA-N 1 0 292.379 3.150 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc(F)cc1 ZINC000020052302 572857214 /nfs/dbraw/zinc/85/72/14/572857214.db2.gz FJNDGLVKIMTHCK-UHFFFAOYSA-N 1 0 260.268 3.024 20 5 CGBDRO C[C@@H]1c2ccccc2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072670 573079059 /nfs/dbraw/zinc/07/90/59/573079059.db2.gz PWBAGJLSGFHAFB-SJKOYZFVSA-N 1 0 298.342 3.205 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000235154390 618700836 /nfs/dbraw/zinc/70/08/36/618700836.db2.gz IHPLDZGJFBAUOE-QWHCGFSZSA-N 1 0 280.393 3.277 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2csc([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000053252040 619077131 /nfs/dbraw/zinc/07/71/31/619077131.db2.gz SNWPBJDYNTTYJJ-LLVKDONJSA-N 1 0 289.360 3.185 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178565638 619291193 /nfs/dbraw/zinc/29/11/93/619291193.db2.gz BQSCBLQCPKWFRA-LBPRGKRZSA-N 1 0 284.356 3.061 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cnc1F ZINC000896510401 620015670 /nfs/dbraw/zinc/01/56/70/620015670.db2.gz NXBPVTGSMFIDKM-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000896510467 620015895 /nfs/dbraw/zinc/01/58/95/620015895.db2.gz QASVLAQXWRTTIC-PTRXPTGYSA-N 1 0 270.279 3.289 20 5 CGBDRO CC(C)(/C=C\Cl)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896747076 620055703 /nfs/dbraw/zinc/05/57/03/620055703.db2.gz JQZWFFZXFGRBLW-HJWRWDBZSA-N 1 0 268.744 3.258 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000840722613 620202856 /nfs/dbraw/zinc/20/28/56/620202856.db2.gz LUXWSSMXUQXWRN-ILXRZTDVSA-N 1 0 292.379 3.043 20 5 CGBDRO CSCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040207 620275138 /nfs/dbraw/zinc/27/51/38/620275138.db2.gz XXTVZNHVBCMTSG-SECBINFHSA-N 1 0 272.345 3.138 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000897460270 620340003 /nfs/dbraw/zinc/34/00/03/620340003.db2.gz GGMFABDQULSQTL-JFGNBEQYSA-N 1 0 284.306 3.332 20 5 CGBDRO Cc1cnc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463240 620340065 /nfs/dbraw/zinc/34/00/65/620340065.db2.gz DDZQXOMEEQBBEM-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccncc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464849 620340450 /nfs/dbraw/zinc/34/04/50/620340450.db2.gz PGUBRRNRVYCBPG-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc(F)nc1)c1ccccc1[N+](=O)[O-] ZINC000897465290 620340745 /nfs/dbraw/zinc/34/07/45/620340745.db2.gz VIKAQAFFZQSWHP-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)cc1[N+](=O)[O-] ZINC000897952927 620454081 /nfs/dbraw/zinc/45/40/81/620454081.db2.gz LNQCIIMSCKZARU-BFHYXJOUSA-N 1 0 260.337 3.181 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000042553855 621183861 /nfs/dbraw/zinc/18/38/61/621183861.db2.gz LSACJPPZFXXLGR-JQWIXIFHSA-N 1 0 250.342 3.427 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC2CC=CC2)cc([N+](=O)[O-])c1 ZINC000903206009 621629071 /nfs/dbraw/zinc/62/90/71/621629071.db2.gz OCLPTMWFMFGRBG-LLVKDONJSA-N 1 0 276.336 3.220 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000903286686 621669851 /nfs/dbraw/zinc/66/98/51/621669851.db2.gz DZKREUDZBHYVBK-ZLDLUXBVSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903288288 621671216 /nfs/dbraw/zinc/67/12/16/621671216.db2.gz WJHHZQWKCXWAKQ-XQQFMLRXSA-N 1 0 278.352 3.061 20 5 CGBDRO CCCN(C)Cc1cccc([N+](=O)[O-])c1Br ZINC000233036610 624607987 /nfs/dbraw/zinc/60/79/87/624607987.db2.gz ZIALLZATNQYFAL-UHFFFAOYSA-N 1 0 287.157 3.199 20 5 CGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839141857 626322995 /nfs/dbraw/zinc/32/29/95/626322995.db2.gz CDBDEHNKCLPCRB-WQVCFCJDSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000839200486 626332126 /nfs/dbraw/zinc/33/21/26/626332126.db2.gz SVXCBLDSVFMVDL-HZPDHXFCSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765333578 627246262 /nfs/dbraw/zinc/24/62/62/627246262.db2.gz GMCDEQXENQZFBT-UHFFFAOYSA-N 1 0 291.395 3.199 20 5 CGBDRO C[C@@H](CC(N)=O)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000765792002 627271057 /nfs/dbraw/zinc/27/10/57/627271057.db2.gz VDVXWTURCZNJNU-ZDUSSCGKSA-N 1 0 292.382 3.347 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000766992332 627374851 /nfs/dbraw/zinc/37/48/51/627374851.db2.gz UBFIVCGQCIGSIE-MNOVXSKESA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@H]1C[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC[C@@H]1C ZINC000766992334 627375011 /nfs/dbraw/zinc/37/50/11/627375011.db2.gz UBFIVCGQCIGSIE-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO CCCCC[C@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000767765001 627435325 /nfs/dbraw/zinc/43/53/25/627435325.db2.gz ZMQHRNZAKMFLPC-AWEZNQCLSA-N 1 0 294.399 3.410 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000776592523 628221873 /nfs/dbraw/zinc/22/18/73/628221873.db2.gz PDFVFLDWWUFJBL-SJORKVTESA-N 1 0 298.342 3.075 20 5 CGBDRO Cc1ccc(C[NH2+]C2CC(OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000784682649 628829470 /nfs/dbraw/zinc/82/94/70/628829470.db2.gz ITMVHRKOLPFWJS-UHFFFAOYSA-N 1 0 292.379 3.339 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497123 629059350 /nfs/dbraw/zinc/05/93/50/629059350.db2.gz DQPWQTZKSVKVBT-LLVKDONJSA-N 1 0 271.320 3.028 20 5 CGBDRO CC(C)[C@@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788605527 629068689 /nfs/dbraw/zinc/06/86/89/629068689.db2.gz XTSYJZSNYAKWDX-QWRGUYRKSA-N 1 0 265.357 3.120 20 5 CGBDRO CC(C)CSCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788683874 629072714 /nfs/dbraw/zinc/07/27/14/629072714.db2.gz ASFJZCRRKIIPPV-NSHDSACASA-N 1 0 297.424 3.217 20 5 CGBDRO CC1(C)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000789339839 629125553 /nfs/dbraw/zinc/12/55/53/629125553.db2.gz IJHSZCOEAREFKG-UHFFFAOYSA-N 1 0 298.383 3.451 20 5 CGBDRO CC(C)(C)c1ccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791052854 629252949 /nfs/dbraw/zinc/25/29/49/629252949.db2.gz GDGFJQBUHVTDIM-OAHLLOKOSA-N 1 0 276.380 3.398 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@H]1C ZINC000792867206 629389198 /nfs/dbraw/zinc/38/91/98/629389198.db2.gz MKVLDXRHAHRRPW-MNOVXSKESA-N 1 0 293.323 3.123 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC000792872864 629390009 /nfs/dbraw/zinc/39/00/09/629390009.db2.gz QEEJNGQLEDGMSU-JTQLQIEISA-N 1 0 293.323 3.123 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1cnn(C[NH+](C2CC2)C2CC2)c1 ZINC000863303679 629529043 /nfs/dbraw/zinc/52/90/43/629529043.db2.gz YHZNPBCIQGECMD-UHFFFAOYSA-N 1 0 298.346 3.043 20 5 CGBDRO C[NH+](C)C1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865438664 630124220 /nfs/dbraw/zinc/12/42/20/630124220.db2.gz DOTLGCOQCVLOJP-UHFFFAOYSA-N 1 0 299.321 3.063 20 5 CGBDRO CC[N@@H+]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865527588 630169824 /nfs/dbraw/zinc/16/98/24/630169824.db2.gz IAVUTKWFWZOLQL-UHFFFAOYSA-N 1 0 299.321 3.064 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000840182709 630763585 /nfs/dbraw/zinc/76/35/85/630763585.db2.gz ISRLGKOAWTXAAD-NSHDSACASA-N 1 0 288.351 3.022 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576717 631797954 /nfs/dbraw/zinc/79/79/54/631797954.db2.gz WYRGUUKGYZJAIQ-FZMZJTMJSA-N 1 0 297.358 3.168 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815583679 631800420 /nfs/dbraw/zinc/80/04/20/631800420.db2.gz LRQNULKPGJLZGB-MVWJERBFSA-N 1 0 295.408 3.112 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815593482 631802330 /nfs/dbraw/zinc/80/23/30/631802330.db2.gz NQXSVUIPEWYEAX-CYBMUJFWSA-N 1 0 299.374 3.379 20 5 CGBDRO CC(C)(C)CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819017049 632365506 /nfs/dbraw/zinc/36/55/06/632365506.db2.gz FHXBJYFKZWBLDR-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087850 632377089 /nfs/dbraw/zinc/37/70/89/632377089.db2.gz PILSHISWKXUUFM-IUODEOHRSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819341833 632435073 /nfs/dbraw/zinc/43/50/73/632435073.db2.gz LENYJZMYTNDUCI-INWMFGNUSA-N 1 0 292.379 3.044 20 5 CGBDRO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000865744730 632875233 /nfs/dbraw/zinc/87/52/33/632875233.db2.gz BCGGECHNCQLGQP-NSHDSACASA-N 1 0 284.381 3.094 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000865873673 632934698 /nfs/dbraw/zinc/93/46/98/632934698.db2.gz GEUPGYGRCMSOTB-UGQYRENISA-N 1 0 292.379 3.137 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@H]1C ZINC000866381853 633113031 /nfs/dbraw/zinc/11/30/31/633113031.db2.gz QYYZZHUPSPSEOW-GBIKHYSHSA-N 1 0 298.383 3.149 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC=CC1 ZINC000866395976 633121554 /nfs/dbraw/zinc/12/15/54/633121554.db2.gz JMWFKHBLCVNMGR-LLVKDONJSA-N 1 0 278.327 3.221 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866636843 633225583 /nfs/dbraw/zinc/22/55/83/633225583.db2.gz QFXLQXSCCLNEJB-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122580953 633442175 /nfs/dbraw/zinc/44/21/75/633442175.db2.gz JGEXPVXWKBXEMI-CABCVRRESA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122581622 633442287 /nfs/dbraw/zinc/44/22/87/633442287.db2.gz JGEXPVXWKBXEMI-LSDHHAIUSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1Cl ZINC000827131705 633462721 /nfs/dbraw/zinc/46/27/21/633462721.db2.gz AAFFJBCFSTVTKH-NSHDSACASA-N 1 0 296.754 3.049 20 5 CGBDRO C[C@H]([NH2+]CCc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029519 633948107 /nfs/dbraw/zinc/94/81/07/633948107.db2.gz RAUWJSWDUVSLES-VIFPVBQESA-N 1 0 295.339 3.084 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035769 633954345 /nfs/dbraw/zinc/95/43/45/633954345.db2.gz QOARBWOWRMQVCP-GHMZBOCLSA-N 1 0 298.358 3.182 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000872041489 633962940 /nfs/dbraw/zinc/96/29/40/633962940.db2.gz TUYNIDVEIGDYTN-MFKMUULPSA-N 1 0 298.358 3.446 20 5 CGBDRO CC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872073583 633996032 /nfs/dbraw/zinc/99/60/32/633996032.db2.gz SBTIZOFCSOMTGR-JQWIXIFHSA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081308 634005519 /nfs/dbraw/zinc/00/55/19/634005519.db2.gz GHBVXBXQYSUZGY-QXEWZRGKSA-N 1 0 284.356 3.279 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872128335 634049756 /nfs/dbraw/zinc/04/97/56/634049756.db2.gz MAVVGVZJLZZJBI-HEHGZKQESA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1c(C[NH2+]CCC[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873107292 634247523 /nfs/dbraw/zinc/24/75/23/634247523.db2.gz NHLIFEXOBHGTIU-HNNXBMFYSA-N 1 0 292.379 3.342 20 5 CGBDRO Cc1c(C[NH2+]CC2(C(F)(F)F)CC2)cccc1[N+](=O)[O-] ZINC000873124157 634250810 /nfs/dbraw/zinc/25/08/10/634250810.db2.gz CIGIUOSIBQTWHM-UHFFFAOYSA-N 1 0 288.269 3.335 20 5 CGBDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873183622 634273538 /nfs/dbraw/zinc/27/35/38/634273538.db2.gz WZHGRKLWZVEMGQ-MELADBBJSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877459969 635044982 /nfs/dbraw/zinc/04/49/82/635044982.db2.gz PQEIFKZALVCRPG-NXEZZACHSA-N 1 0 275.308 3.014 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cc1[N+](=O)[O-] ZINC000877738079 635170927 /nfs/dbraw/zinc/17/09/27/635170927.db2.gz JMAOJWAOKSEFSX-UONOGXRCSA-N 1 0 292.404 3.088 20 5 CGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000842168011 635302870 /nfs/dbraw/zinc/30/28/70/635302870.db2.gz ZKSXMGYBZAHIRA-GMTAPVOTSA-N 1 0 266.316 3.210 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879962180 635890226 /nfs/dbraw/zinc/89/02/26/635890226.db2.gz OASZRTKSADYKIT-QWHCGFSZSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232108 635944209 /nfs/dbraw/zinc/94/42/09/635944209.db2.gz GXLTUGSHVZIFNL-NEPJUHHUSA-N 1 0 266.316 3.337 20 5 CGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130728617 636504746 /nfs/dbraw/zinc/50/47/46/636504746.db2.gz QXHQDOIMBOBYPC-FZMZJTMJSA-N 1 0 294.399 3.266 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1(C)CC1 ZINC000848541864 636597895 /nfs/dbraw/zinc/59/78/95/636597895.db2.gz YMCKXMYOMUWIOX-MFKMUULPSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=CCC1 ZINC000850510574 637096121 /nfs/dbraw/zinc/09/61/21/637096121.db2.gz UVNQVFVIXJLTEK-TZMCWYRMSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850525815 637104240 /nfs/dbraw/zinc/10/42/40/637104240.db2.gz MGITYPIUFFIZFZ-LLVKDONJSA-N 1 0 295.383 3.033 20 5 CGBDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796794 637177104 /nfs/dbraw/zinc/17/71/04/637177104.db2.gz ALUUULDOODVKLT-MNOVXSKESA-N 1 0 268.382 3.387 20 5 CGBDRO C[C@H]1CC[C@@]2(CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122465 637424719 /nfs/dbraw/zinc/42/47/19/637424719.db2.gz BJOJBKNJAMLORM-SWLSCSKDSA-N 1 0 275.352 3.002 20 5 CGBDRO CC(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886129805 637429051 /nfs/dbraw/zinc/42/90/51/637429051.db2.gz ONJXQFRLZMDHKX-KBPBESRZSA-N 1 0 277.368 3.294 20 5 CGBDRO CCC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886228716 637464101 /nfs/dbraw/zinc/46/41/01/637464101.db2.gz DZAIBAHVZLDUNA-GFCCVEGCSA-N 1 0 265.357 3.294 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cc(C2CC2)no1 ZINC000886271978 637476231 /nfs/dbraw/zinc/47/62/31/637476231.db2.gz CECFFSOMIQXAHD-HWKANZROSA-N 1 0 299.330 3.263 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](C2CCC2)C1 ZINC000886285598 637484427 /nfs/dbraw/zinc/48/44/27/637484427.db2.gz NHHHGOMRCOKNEC-ZDUSSCGKSA-N 1 0 275.352 3.002 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1=CCCOC1 ZINC000852519325 637672775 /nfs/dbraw/zinc/67/27/75/637672775.db2.gz YSHJYOUUNGCUSN-UHFFFAOYSA-N 1 0 296.754 3.027 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852592175 637684526 /nfs/dbraw/zinc/68/45/26/637684526.db2.gz IEZGVORQQXPUKN-IOASZLSFSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176627 639287505 /nfs/dbraw/zinc/28/75/05/639287505.db2.gz KDIUDZFQANVKAF-XTBFLFJDSA-N 1 0 290.363 3.203 20 5 CGBDRO CCO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000932178516 639288304 /nfs/dbraw/zinc/28/83/04/639288304.db2.gz OJXMQGUQAXQGDH-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cc(F)ccc1[C@@H](C)NCc1cccnc1[N+](=O)[O-] ZINC000932562375 639355001 /nfs/dbraw/zinc/35/50/01/639355001.db2.gz LVVVJUIABZYZBI-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc2cc([C@H](C)[NH3+])ccc21 ZINC001155340707 805573800 /nfs/dbraw/zinc/57/38/00/805573800.db2.gz RSDXFBNLMLVKAB-NSHDSACASA-N 1 0 296.330 3.262 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001252823216 806125878 /nfs/dbraw/zinc/12/58/78/806125878.db2.gz XCKODXXHYHBSQV-OCCSQVGLSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cccc(C[NH3+])c1 ZINC001159649742 806141839 /nfs/dbraw/zinc/14/18/39/806141839.db2.gz SACROECXXUIOLV-UHFFFAOYSA-N 1 0 257.293 3.106 20 5 CGBDRO CCC(CC)[NH+]1CCC(Nc2cccc([N+](=O)[O-])n2)CC1 ZINC001161094461 806348029 /nfs/dbraw/zinc/34/80/29/806348029.db2.gz FCBWIEBGQSKEQM-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC001254534718 806444307 /nfs/dbraw/zinc/44/43/07/806444307.db2.gz BXFBINFKGXFTQG-MNOVXSKESA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(N)c1 ZINC001254542117 806446320 /nfs/dbraw/zinc/44/63/20/806446320.db2.gz MBVBCQLOFYMEFB-OLZOCXBDSA-N 1 0 299.374 3.459 20 5 CGBDRO CC1(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001254566961 806452758 /nfs/dbraw/zinc/45/27/58/806452758.db2.gz LROJUQMJOFOKKQ-AWEZNQCLSA-N 1 0 274.364 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CC13CCCCC3)C2 ZINC001254580623 806455567 /nfs/dbraw/zinc/45/55/67/806455567.db2.gz HJQXFJRTEPMKJK-GOEBONIOSA-N 1 0 286.375 3.374 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254604629 806460498 /nfs/dbraw/zinc/46/04/98/806460498.db2.gz WYDNMAWHKIBCPR-OZVIIMIRSA-N 1 0 274.364 3.040 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CC[C@](C)(O)CC1 ZINC001162361335 806565180 /nfs/dbraw/zinc/56/51/80/806565180.db2.gz WVUBDNLNCIZKJN-SAABIXHNSA-N 1 0 291.459 3.388 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162396004 806574539 /nfs/dbraw/zinc/57/45/39/806574539.db2.gz HORIQSROQDTIGW-QWHCGFSZSA-N 1 0 277.368 3.202 20 5 CGBDRO CCOC(=O)c1cc(NC(=[NH2+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC001162665709 806643894 /nfs/dbraw/zinc/64/38/94/806643894.db2.gz MHUKBEGKIQUPDX-UHFFFAOYSA-N 1 0 293.323 3.207 20 5 CGBDRO Cc1cccc(NCc2ccc3c(c2)CC[NH2+]C3)c1[N+](=O)[O-] ZINC001162807769 806668279 /nfs/dbraw/zinc/66/82/79/806668279.db2.gz RHLNYKVMKSUHJO-UHFFFAOYSA-N 1 0 297.358 3.161 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562498 798869307 /nfs/dbraw/zinc/86/93/07/798869307.db2.gz BZTUSTGZHYUQLL-KOLCDFICSA-N 1 0 254.355 3.325 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3c(c2)CCC3)cc1 ZINC000070199115 798915566 /nfs/dbraw/zinc/91/55/66/798915566.db2.gz VBGJGKOJPQHECN-UHFFFAOYSA-N 1 0 282.343 3.373 20 5 CGBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1(F)F ZINC000689704515 799767424 /nfs/dbraw/zinc/76/74/24/799767424.db2.gz LCDZOWFRNSQOHS-LLVKDONJSA-N 1 0 290.697 3.383 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC001163618709 806793253 /nfs/dbraw/zinc/79/32/53/806793253.db2.gz VJDWYXWTSDZGPU-HIFRSBDPSA-N 1 0 289.379 3.332 20 5 CGBDRO C[NH+](C)C1(C)CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000715534068 800138976 /nfs/dbraw/zinc/13/89/76/800138976.db2.gz ULLCKRLUFJGGGW-UHFFFAOYSA-N 1 0 283.397 3.331 20 5 CGBDRO CN(CCCC[NH+](C)C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001164046479 806880954 /nfs/dbraw/zinc/88/09/54/806880954.db2.gz KAMUNNNVOQDPKH-UHFFFAOYSA-N 1 0 285.775 3.026 20 5 CGBDRO C[C@@H]([NH2+]CCCC(F)F)c1ccc([N+](=O)[O-])cc1 ZINC001119540018 802677699 /nfs/dbraw/zinc/67/76/99/802677699.db2.gz DDDJDXJAYJPSPR-SECBINFHSA-N 1 0 258.268 3.291 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001120366897 802742879 /nfs/dbraw/zinc/74/28/79/802742879.db2.gz XQFRDVONFADCCM-PKFCDNJMSA-N 1 0 264.325 3.053 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C(F)F)C1 ZINC001168961868 807541410 /nfs/dbraw/zinc/54/14/10/807541410.db2.gz KKGLFUHJPPBQDS-ZYHUDNBSSA-N 1 0 284.306 3.159 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)C1 ZINC001168956791 807541530 /nfs/dbraw/zinc/54/15/30/807541530.db2.gz FLMUMWRYNOFWBG-BXUZGUMPSA-N 1 0 294.782 3.364 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC001168958545 807541663 /nfs/dbraw/zinc/54/16/63/807541663.db2.gz OEFJQKYZQFBEOA-KCXAZCMYSA-N 1 0 274.364 3.173 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001168957404 807541879 /nfs/dbraw/zinc/54/18/79/807541879.db2.gz HHRYWYDLQYUSGU-IVMMDQJWSA-N 1 0 274.364 3.099 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001168963935 807542357 /nfs/dbraw/zinc/54/23/57/807542357.db2.gz QQNWLYOMOASOEU-DGCLKSJQSA-N 1 0 284.306 3.159 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ccc(Cl)cc32)C1 ZINC001168977045 807544684 /nfs/dbraw/zinc/54/46/84/807544684.db2.gz HFWNHOGTIYYCRB-DGFSRKRXSA-N 1 0 294.782 3.362 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC001168978073 807545856 /nfs/dbraw/zinc/54/58/56/807545856.db2.gz OEFJQKYZQFBEOA-MAZHCROVSA-N 1 0 274.364 3.173 20 5 CGBDRO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978100 807546157 /nfs/dbraw/zinc/54/61/57/807546157.db2.gz OJCHZKLYHIAUGP-NWDGAFQWSA-N 1 0 256.390 3.236 20 5 CGBDRO CC(C)C1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990257 807548183 /nfs/dbraw/zinc/54/81/83/807548183.db2.gz ZCVGBLYVFDDFKL-VXGQWTEUSA-N 1 0 268.401 3.236 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC001168996099 807549057 /nfs/dbraw/zinc/54/90/57/807549057.db2.gz VBXXRPFOQMCDFF-HOTGVXAUSA-N 1 0 288.391 3.044 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169006340 807550019 /nfs/dbraw/zinc/55/00/19/807550019.db2.gz XOTUGKLKNYBWDQ-WKPIXPDZSA-N 1 0 298.333 3.451 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001169004057 807550115 /nfs/dbraw/zinc/55/01/15/807550115.db2.gz PKJJLGXVHWHRRL-MJVIPROJSA-N 1 0 298.333 3.451 20 5 CGBDRO Cc1cccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169002554 807550754 /nfs/dbraw/zinc/55/07/54/807550754.db2.gz LAIDGNGCRMSLGG-HIFRSBDPSA-N 1 0 274.364 3.019 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC001169007401 807551234 /nfs/dbraw/zinc/55/12/34/807551234.db2.gz NFVQLKCRUMYLJM-CABCVRRESA-N 1 0 280.412 3.478 20 5 CGBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021968 807554709 /nfs/dbraw/zinc/55/47/09/807554709.db2.gz BMDUWLKKOVESIA-QMCVRULOSA-N 1 0 292.423 3.332 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC001169023427 807554866 /nfs/dbraw/zinc/55/48/66/807554866.db2.gz TXSSCWKGZLBNKP-YOEHRIQHSA-N 1 0 288.391 3.311 20 5 CGBDRO C[N@H+](CCc1ccccc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169037731 807555731 /nfs/dbraw/zinc/55/57/31/807555731.db2.gz TWXODCDUEHUBTQ-JSGCOSHPSA-N 1 0 296.798 3.260 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CC[C@H](F)C3)CC2)C1 ZINC001169039518 807557530 /nfs/dbraw/zinc/55/75/30/807557530.db2.gz QNGNBRBVNOAWPP-RDBSUJKOSA-N 1 0 284.375 3.036 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038761 807557805 /nfs/dbraw/zinc/55/78/05/807557805.db2.gz KIEUTRUKSITTSB-ZYHUDNBSSA-N 1 0 280.755 3.101 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccc(F)cc2)C1 ZINC001169046900 807558171 /nfs/dbraw/zinc/55/81/71/807558171.db2.gz OGFWINLEZPWAGT-VBNZEHGJSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCSc3ccccc3C2)C1 ZINC001169046358 807558993 /nfs/dbraw/zinc/55/89/93/807558993.db2.gz KZXCAUPMLHXKAP-GXTWGEPZSA-N 1 0 292.404 3.040 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]2)c2ccccc21 ZINC001169570095 807669164 /nfs/dbraw/zinc/66/91/64/807669164.db2.gz YEXXMWKRSXNOPW-GFCCVEGCSA-N 1 0 285.347 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CC13CCC3)CC2 ZINC001172904188 808476169 /nfs/dbraw/zinc/47/61/69/808476169.db2.gz MYFDMAMJCVKOBV-GOEBONIOSA-N 1 0 286.375 3.374 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217292 808538425 /nfs/dbraw/zinc/53/84/25/808538425.db2.gz RVGBDDBUOCIYNB-NSHDSACASA-N 1 0 250.342 3.304 20 5 CGBDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)n1 ZINC001173217489 808538784 /nfs/dbraw/zinc/53/87/84/808538784.db2.gz VNVCLQDNHJBCEJ-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CCC2)C1 ZINC001173221749 808539733 /nfs/dbraw/zinc/53/97/33/808539733.db2.gz LPGHWUTTWCCXPD-LBPRGKRZSA-N 1 0 260.337 3.012 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CCC1 ZINC001173227040 808541798 /nfs/dbraw/zinc/54/17/98/808541798.db2.gz MJSHDMOJGCYTPZ-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H](F)C1 ZINC001173228917 808542530 /nfs/dbraw/zinc/54/25/30/808542530.db2.gz NPXGKERCZDQLLI-JSGCOSHPSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C1CC1)C1CC1 ZINC001173232682 808542981 /nfs/dbraw/zinc/54/29/81/808542981.db2.gz FPCHYOONUAZOHB-NSHDSACASA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC1 ZINC001173235843 808544928 /nfs/dbraw/zinc/54/49/28/808544928.db2.gz VERLCTUCLRPBAI-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnccc1C ZINC001178775002 809887581 /nfs/dbraw/zinc/88/75/81/809887581.db2.gz OUSOFAHDWOGLKX-MDWZMJQESA-N 1 0 297.358 3.491 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c1 ZINC001186790591 810362741 /nfs/dbraw/zinc/36/27/41/810362741.db2.gz JIXIOROBRJZQTA-UONOGXRCSA-N 1 0 277.368 3.044 20 5 CGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001195349848 811246527 /nfs/dbraw/zinc/24/65/27/811246527.db2.gz FIBGDALYAKRTQZ-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC[C@H]2C=CCC2)c1 ZINC001203553434 812390113 /nfs/dbraw/zinc/39/01/13/812390113.db2.gz GQEVZCHWQRCYGN-ZDUSSCGKSA-N 1 0 260.337 3.431 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2c[nH+]ccc2N2CCCCC2)cn1 ZINC001203570293 812395491 /nfs/dbraw/zinc/39/54/91/812395491.db2.gz WJHLQINRMUNLGM-UHFFFAOYSA-N 1 0 299.334 3.119 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC001218028471 816063557 /nfs/dbraw/zinc/06/35/57/816063557.db2.gz FZBQVNTWHLDNOO-ZANVPECISA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001218030067 816064609 /nfs/dbraw/zinc/06/46/09/816064609.db2.gz PEZWHXOQDYHGLF-NOZJJQNGSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218043448 816071332 /nfs/dbraw/zinc/07/13/32/816071332.db2.gz IOYSHIBRFWACQN-KZULUSFZSA-N 1 0 293.370 3.160 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+][C@@H](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218054076 816076839 /nfs/dbraw/zinc/07/68/39/816076839.db2.gz WQHOPBUDJUNOIH-GWCFXTLKSA-N 1 0 278.352 3.039 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218083565 816089226 /nfs/dbraw/zinc/08/92/26/816089226.db2.gz RZPFLQNQTXOSMU-CQSZACIVSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc1Cl ZINC001218095372 816095487 /nfs/dbraw/zinc/09/54/87/816095487.db2.gz PKFSJZOKKSEZSF-KBPBESRZSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262753 816144810 /nfs/dbraw/zinc/14/48/10/816144810.db2.gz KSNFCSOCRXOPRC-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]C3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC001218307716 816159425 /nfs/dbraw/zinc/15/94/25/816159425.db2.gz BTAZPGNAIHDHLX-ZDUSSCGKSA-N 1 0 290.363 3.265 20 5 CGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001218315279 816163626 /nfs/dbraw/zinc/16/36/26/816163626.db2.gz WLRJSKQDLGPYLH-GFCCVEGCSA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3C=CC[NH2+]C3)c2)c1 ZINC001218333172 816171193 /nfs/dbraw/zinc/17/11/93/816171193.db2.gz GCEPBDSNVFNGGG-QGZVFWFLSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@H](Oc1cccc2c1C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218344480 816172832 /nfs/dbraw/zinc/17/28/32/816172832.db2.gz YGODXCBAEVYNKL-NSHDSACASA-N 1 0 284.315 3.338 20 5 CGBDRO C[C@H]1CC[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218393577 816188379 /nfs/dbraw/zinc/18/83/79/816188379.db2.gz OJUPJHFFQKGUCB-AAEUAGOBSA-N 1 0 292.379 3.412 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218419222 816205641 /nfs/dbraw/zinc/20/56/41/816205641.db2.gz ASZUFUILYMJYGV-RISCZKNCSA-N 1 0 286.331 3.125 20 5 CGBDRO C[C@@H](OC1CC[NH+](CCF)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223433295 816630222 /nfs/dbraw/zinc/63/02/22/816630222.db2.gz YRHMKPFOBMABRT-GFCCVEGCSA-N 1 0 296.342 3.106 20 5 CGBDRO COc1cc(CO[C@@H](C)C[N+](C)(C)C)ccc1OC(C)C ZINC001223688802 816666416 /nfs/dbraw/zinc/66/64/16/816666416.db2.gz FNPKCDCAHHTLBT-AWEZNQCLSA-N 1 0 296.431 3.094 20 5 CGBDRO Cc1ccc2cc(CO[C@H](C)C[N+](C)(C)C)ccc2n1 ZINC001223987904 816716526 /nfs/dbraw/zinc/71/65/26/816716526.db2.gz MAVLNKUBRLGYGK-CQSZACIVSA-N 1 0 273.400 3.155 20 5 CGBDRO CC[NH+]1CCC(O[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001224019875 816721821 /nfs/dbraw/zinc/72/18/21/816721821.db2.gz NVDPHVLYQJGVCU-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1ccccc1OC(F)(F)F ZINC001224775467 816879128 /nfs/dbraw/zinc/87/91/28/816879128.db2.gz LMUBUMBBBIVMNW-NSHDSACASA-N 1 0 292.321 3.369 20 5 CGBDRO Cc1ccc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001225932982 817221503 /nfs/dbraw/zinc/22/15/03/817221503.db2.gz NNQXICWHXAYZIY-JTQLQIEISA-N 1 0 260.760 3.261 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1cc([N+](=O)[O-])c(Cl)cc1Cl ZINC001226205914 817298592 /nfs/dbraw/zinc/29/85/92/817298592.db2.gz XNZVZNQMYRWUCJ-ZETCQYMHSA-N 1 0 293.150 3.231 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761753 817456924 /nfs/dbraw/zinc/45/69/24/817456924.db2.gz DYBVFDUSEQDRTM-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO CCCC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001228024438 817787155 /nfs/dbraw/zinc/78/71/55/817787155.db2.gz IVSUSLADHVRBQB-CYBMUJFWSA-N 1 0 264.389 3.143 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001228571740 817941741 /nfs/dbraw/zinc/94/17/41/817941741.db2.gz SFQKRKHPMQXSSH-AWEZNQCLSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1cc2ccccc2c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001228738240 817994380 /nfs/dbraw/zinc/99/43/80/817994380.db2.gz DCLANZLWHWSRTJ-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cc(F)ccc21 ZINC001234849516 818933576 /nfs/dbraw/zinc/93/35/76/818933576.db2.gz JXIRYTIYVWUCEV-GFCCVEGCSA-N 1 0 262.348 3.452 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cnc(Cl)cc2c1 ZINC001234859760 818936934 /nfs/dbraw/zinc/93/69/34/818936934.db2.gz IBJPPOXBWOWEAD-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CC[NH+](CC)C1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC001347182021 936873317 /nfs/dbraw/zinc/87/33/17/936873317.db2.gz UJMBLRWCCSFJFM-UHFFFAOYSA-N 1 0 297.424 3.275 20 5 CGBDRO C[N+](C)(C)CCCO[C@H]1CCc2cc(Cl)ccc21 ZINC001224620688 927437413 /nfs/dbraw/zinc/43/74/13/927437413.db2.gz AEGDDWHHOKBMKM-HNNXBMFYSA-N 1 0 268.808 3.440 20 5 CGBDRO Cc1ccccc1[C@@H](C)[N@@H+](CC[N+](=O)[O-])CC(C)C ZINC001460088862 937515293 /nfs/dbraw/zinc/51/52/93/937515293.db2.gz MVNNRSZPVPKRSR-CQSZACIVSA-N 1 0 264.369 3.291 20 5 CGBDRO CC(=O)c1cc(C)c2c(c1O[C@H](C)C[N+](C)(C)C)CCC2 ZINC001229176456 932110751 /nfs/dbraw/zinc/11/07/51/932110751.db2.gz YHCGJDWXPHRDFB-CYBMUJFWSA-N 1 0 290.427 3.160 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229199167 932114553 /nfs/dbraw/zinc/11/45/53/932114553.db2.gz UCQYQZYMIUVDOX-CLLJXQQHSA-N 1 0 294.326 3.046 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(C)c1C ZINC001229883185 932497419 /nfs/dbraw/zinc/49/74/19/932497419.db2.gz TWUOBGKQCTWRIL-NSHDSACASA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)cc1F ZINC001229895654 932500728 /nfs/dbraw/zinc/50/07/28/932500728.db2.gz UOMWDFRCCMCCON-UHFFFAOYSA-N 1 0 296.342 3.294 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)c2cc(F)cc(F)c2n1 ZINC001230222260 932542064 /nfs/dbraw/zinc/54/20/64/932542064.db2.gz FPUWSRLJUTYYJO-LLVKDONJSA-N 1 0 295.353 3.295 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC001462063946 937615905 /nfs/dbraw/zinc/61/59/05/937615905.db2.gz XQPTUCZRSVYUHK-SWLSCSKDSA-N 1 0 294.395 3.481 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC(F)F ZINC001335506846 932778568 /nfs/dbraw/zinc/77/85/68/932778568.db2.gz OFPJXQFHNSBKCZ-UHFFFAOYSA-N 1 0 288.294 3.128 20 5 CGBDRO C[NH+](C)[C@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307150307 932922265 /nfs/dbraw/zinc/92/22/65/932922265.db2.gz WQVMYKRKGBLFKU-STQMWFEESA-N 1 0 297.786 3.389 20 5 CGBDRO CC[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC001307854335 933010526 /nfs/dbraw/zinc/01/05/26/933010526.db2.gz YZIJPNXXPGYVAD-GJZGRUSLSA-N 1 0 292.379 3.388 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(C)(C)C ZINC001307873108 933011319 /nfs/dbraw/zinc/01/13/19/933011319.db2.gz CABICWULGJIRMX-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)o1 ZINC001308199819 933070617 /nfs/dbraw/zinc/07/06/17/933070617.db2.gz ZXGWRZSUTLVEPE-UHFFFAOYSA-N 1 0 288.347 3.445 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC001308775126 933173620 /nfs/dbraw/zinc/17/36/20/933173620.db2.gz MEJYNDSQQIVVDM-UHFFFAOYSA-N 1 0 291.738 3.241 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC001472832964 937786109 /nfs/dbraw/zinc/78/61/09/937786109.db2.gz RXRSBGSLJILISS-ZYHUDNBSSA-N 1 0 283.759 3.143 20 5 CGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])cc1 ZINC001472832585 937786359 /nfs/dbraw/zinc/78/63/59/937786359.db2.gz YQJWJZFCXWWZLS-CYBMUJFWSA-N 1 0 277.368 3.127 20 5 CGBDRO CC[C@@H]1C[C@H]1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001473465164 937807885 /nfs/dbraw/zinc/80/78/85/937807885.db2.gz MANLWHZCPLRAKT-OCCSQVGLSA-N 1 0 262.353 3.115 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001473723481 937819203 /nfs/dbraw/zinc/81/92/03/937819203.db2.gz DKNIRNLBEKFXRF-BETUJISGSA-N 1 0 288.347 3.001 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C/C=C/C1CC1 ZINC001327869670 935091949 /nfs/dbraw/zinc/09/19/49/935091949.db2.gz ZWQLPPGTCNERRC-AECUNDDTSA-N 1 0 258.321 3.164 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C/C=C/C1CC1 ZINC001327869672 935092726 /nfs/dbraw/zinc/09/27/26/935092726.db2.gz ZWQLPPGTCNERRC-HJIKTHEYSA-N 1 0 258.321 3.164 20 5 CGBDRO COC[C@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC001474011049 937835434 /nfs/dbraw/zinc/83/54/34/937835434.db2.gz HOGGCKSKTKVMKV-HNNXBMFYSA-N 1 0 294.395 3.479 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC001474021085 937835909 /nfs/dbraw/zinc/83/59/09/937835909.db2.gz KGMODUUMDPPWAD-AWEZNQCLSA-N 1 0 280.368 3.054 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H]2CCCN(c3cc[nH+]cc3)C2)cc1 ZINC001515221205 938005089 /nfs/dbraw/zinc/00/50/89/938005089.db2.gz HADJTKOUIAMMAF-CQSZACIVSA-N 1 0 283.331 3.374 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001559305365 938225043 /nfs/dbraw/zinc/22/50/43/938225043.db2.gz GUADCOKHEHVWAO-ZDUSSCGKSA-N 1 0 279.384 3.436 20 5 CGBDRO CC(C)C[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482800 938227254 /nfs/dbraw/zinc/22/72/54/938227254.db2.gz QBGMYVKRBLYEOV-AWEZNQCLSA-N 1 0 291.395 3.151 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H](C)C1 ZINC001559929713 938239231 /nfs/dbraw/zinc/23/92/31/938239231.db2.gz QTLQZPYTRYSKBG-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO CC1(C[NH2+]Cc2c(Br)cccc2[N+](=O)[O-])CC1 ZINC001560364377 938255485 /nfs/dbraw/zinc/25/54/85/938255485.db2.gz DOXXDLXKFSWAHU-UHFFFAOYSA-N 1 0 299.168 3.247 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001560458248 938259116 /nfs/dbraw/zinc/25/91/16/938259116.db2.gz HYNHBCOHRWYGNW-NHAGDIPZSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000338016211 214361786 /nfs/dbraw/zinc/36/17/86/214361786.db2.gz JEALYGBNHDJORH-SWLSCSKDSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]([NH2+]CC(CC)(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000181696695 529589866 /nfs/dbraw/zinc/58/98/66/529589866.db2.gz CCMBGXOHWLUQJT-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCSC1)CCCC2 ZINC000591348356 346916903 /nfs/dbraw/zinc/91/69/03/346916903.db2.gz WSYBUXSCOFEKCD-SWLSCSKDSA-N 1 0 292.404 3.457 20 5 CGBDRO CC[C@H](N[C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263743 529668712 /nfs/dbraw/zinc/66/87/12/529668712.db2.gz OUWQXTUPCOKTSK-ZFWWWQNUSA-N 1 0 279.384 3.009 20 5 CGBDRO CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC000592130347 346965668 /nfs/dbraw/zinc/96/56/68/346965668.db2.gz DKARMKMNZYTOEW-SHTZXODSSA-N 1 0 292.379 3.110 20 5 CGBDRO CN(CC1CC[NH+](C)CC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432324783 529865896 /nfs/dbraw/zinc/86/58/96/529865896.db2.gz XONQGOIXCPSGKP-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273172646 192065947 /nfs/dbraw/zinc/06/59/47/192065947.db2.gz CELLUOZHRQQHRB-RDBSUJKOSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1CC1 ZINC000295087541 199339267 /nfs/dbraw/zinc/33/92/67/199339267.db2.gz RCOXRDXLVHLBHB-VXGBXAGGSA-N 1 0 262.353 3.304 20 5 CGBDRO COc1cc(C[N@@H+]2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000593038635 347030767 /nfs/dbraw/zinc/03/07/67/347030767.db2.gz KFIIORSDLVZRFJ-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO COc1cc(C[NH2+]C2(C3CCC3)CC2)c([N+](=O)[O-])cc1F ZINC000593078963 347036637 /nfs/dbraw/zinc/03/66/37/347036637.db2.gz AMCVJCMSXONPEG-UHFFFAOYSA-N 1 0 294.326 3.165 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCOc2cccc([N+](=O)[O-])c2)o1 ZINC000046055539 345033487 /nfs/dbraw/zinc/03/34/87/345033487.db2.gz SYNCZXSIFYAUSY-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO C[N@@H+]1CCC[C@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352245 345081548 /nfs/dbraw/zinc/08/15/48/345081548.db2.gz PCEFZQDREKVDID-SNVBAGLBSA-N 1 0 283.759 3.002 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccsc1 ZINC000051471023 345090620 /nfs/dbraw/zinc/09/06/20/345090620.db2.gz BYEDGQKGGCUCNM-UHFFFAOYSA-N 1 0 292.360 3.167 20 5 CGBDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000067224127 345317340 /nfs/dbraw/zinc/31/73/40/345317340.db2.gz XUIJKVHXUNGAPI-AWEZNQCLSA-N 1 0 294.395 3.215 20 5 CGBDRO CC(C)[NH2+]C1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072606002 345414041 /nfs/dbraw/zinc/41/40/41/345414041.db2.gz ADNIDUHHIBVJTL-ZDUSSCGKSA-N 1 0 291.395 3.118 20 5 CGBDRO CCC[NH+](CCC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000070926433 345397939 /nfs/dbraw/zinc/39/79/39/345397939.db2.gz CYNHQOJEYDPTFK-UHFFFAOYSA-N 1 0 294.351 3.083 20 5 CGBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CC1 ZINC000070947172 345399454 /nfs/dbraw/zinc/39/94/54/345399454.db2.gz FURXBVLJTHTKAR-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075743810 345521446 /nfs/dbraw/zinc/52/14/46/345521446.db2.gz OVVIAUKXPJPKSI-UONOGXRCSA-N 1 0 292.379 3.404 20 5 CGBDRO CSCCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000075597892 345514538 /nfs/dbraw/zinc/51/45/38/345514538.db2.gz JUKPUGUJGMPFES-LLVKDONJSA-N 1 0 268.382 3.341 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](c1ccco1)[NH+](C)C ZINC000080532777 345678147 /nfs/dbraw/zinc/67/81/47/345678147.db2.gz UXFPTZWYXYMQHO-AWEZNQCLSA-N 1 0 289.335 3.211 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC000091457335 345814982 /nfs/dbraw/zinc/81/49/82/345814982.db2.gz MJVRBQWCVPHOBN-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116274003 345976588 /nfs/dbraw/zinc/97/65/88/345976588.db2.gz JPLYPWGOURYUFT-SECBINFHSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000121398998 346002360 /nfs/dbraw/zinc/00/23/60/346002360.db2.gz AYBRAUDXOQQOAW-MELADBBJSA-N 1 0 292.379 3.105 20 5 CGBDRO CSCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129598775 346051259 /nfs/dbraw/zinc/05/12/59/346051259.db2.gz HWYLNFCHVUZXBP-GXTWGEPZSA-N 1 0 294.420 3.259 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000131954483 346069408 /nfs/dbraw/zinc/06/94/08/346069408.db2.gz RKNIZBOPCAXMGF-CHWSQXEVSA-N 1 0 278.352 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c1 ZINC000177548251 232370533 /nfs/dbraw/zinc/37/05/33/232370533.db2.gz PDXRVSAPUWEUQQ-OKILXGFUSA-N 1 0 260.337 3.217 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000159961541 346169443 /nfs/dbraw/zinc/16/94/43/346169443.db2.gz CYVXSFIPNTVUFN-RYUDHWBXSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293102212 346430524 /nfs/dbraw/zinc/43/05/24/346430524.db2.gz LBZZDXDBGOAHKS-UONOGXRCSA-N 1 0 292.379 3.059 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCCC[NH2+]C1CC1 ZINC000312215079 346476058 /nfs/dbraw/zinc/47/60/58/346476058.db2.gz AYGBZBWIRMBNBY-UHFFFAOYSA-N 1 0 285.294 3.086 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593682803 347103855 /nfs/dbraw/zinc/10/38/55/347103855.db2.gz YIIGYPFDVVTKPI-RYWCDNDXSA-N 1 0 290.363 3.013 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000594025967 347139110 /nfs/dbraw/zinc/13/91/10/347139110.db2.gz CDBDGYHTWZQBSO-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000594025968 347139386 /nfs/dbraw/zinc/13/93/86/347139386.db2.gz CDBDGYHTWZQBSO-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cs1 ZINC000594523921 347189807 /nfs/dbraw/zinc/18/98/07/347189807.db2.gz VNYCAIPTUXQGAP-LBPRGKRZSA-N 1 0 296.392 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000594604080 347200999 /nfs/dbraw/zinc/20/09/99/347200999.db2.gz YAOWESYNNZXEAH-QWRGUYRKSA-N 1 0 281.381 3.085 20 5 CGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC=CC1 ZINC000594511554 347183273 /nfs/dbraw/zinc/18/32/73/347183273.db2.gz QQVKUHWRXLNTCX-UHFFFAOYSA-N 1 0 266.728 3.447 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000594953880 347239973 /nfs/dbraw/zinc/23/99/73/347239973.db2.gz KBNGLVDNAXPWIF-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CC[C@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000594979878 347248037 /nfs/dbraw/zinc/24/80/37/347248037.db2.gz MQYDESVSGAQSBG-AWEZNQCLSA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594984478 347249394 /nfs/dbraw/zinc/24/93/94/347249394.db2.gz IPENWZROSUONTF-ZWNOBZJWSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])O1 ZINC000594985314 347249525 /nfs/dbraw/zinc/24/95/25/347249525.db2.gz LFOVABVWYUHFJG-DBVFPWQWSA-N 1 0 290.363 3.155 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595288614 347286405 /nfs/dbraw/zinc/28/64/05/347286405.db2.gz QFSLMLHXSXKWKE-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C2CCCC2)c1[N+](=O)[O-] ZINC000595294194 347288180 /nfs/dbraw/zinc/28/81/80/347288180.db2.gz WGTADBBEOXDIFO-LBPRGKRZSA-N 1 0 279.340 3.046 20 5 CGBDRO CCC1CCC([N@H+](C)Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595342352 347294806 /nfs/dbraw/zinc/29/48/06/347294806.db2.gz BNRXPTINFUGBQE-UHFFFAOYSA-N 1 0 281.356 3.292 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CSC ZINC000595011614 347256683 /nfs/dbraw/zinc/25/66/83/347256683.db2.gz ZZNBFULZTPMXDF-UWVGGRQHSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(C(C)C)CC1 ZINC000595038817 347265518 /nfs/dbraw/zinc/26/55/18/347265518.db2.gz OSHBZISEBCRSGD-NSHDSACASA-N 1 0 278.352 3.443 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)CSCCF)cccc1[N+](=O)[O-] ZINC000595043434 347267266 /nfs/dbraw/zinc/26/72/66/347267266.db2.gz YGDWBKXIGSCYIH-JTQLQIEISA-N 1 0 286.372 3.084 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000595052621 347269975 /nfs/dbraw/zinc/26/99/75/347269975.db2.gz YYFVCZCYFJOLLP-KWBADKCTSA-N 1 0 296.392 3.006 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000595052092 347270226 /nfs/dbraw/zinc/27/02/26/347270226.db2.gz QMTOQZQMYVNQQX-VWYCJHECSA-N 1 0 296.392 3.148 20 5 CGBDRO CC[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000595056650 347271852 /nfs/dbraw/zinc/27/18/52/347271852.db2.gz OZVLEQQFHCTMAO-SWLSCSKDSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccoc1)CCC2 ZINC000595092890 347281232 /nfs/dbraw/zinc/28/12/32/347281232.db2.gz ZYCKMJNUKXROCQ-MRXNPFEDSA-N 1 0 286.331 3.398 20 5 CGBDRO CCOc1cc(C[NH2+][C@@H](CC)C2CC2)ccc1[N+](=O)[O-] ZINC000595765174 347353265 /nfs/dbraw/zinc/35/32/65/347353265.db2.gz HTBDPJRURPNMMN-ZDUSSCGKSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595454948 347305793 /nfs/dbraw/zinc/30/57/93/347305793.db2.gz PBCPXAGYDLMHBM-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595541757 347317235 /nfs/dbraw/zinc/31/72/35/347317235.db2.gz CITYMYXNSZUTKQ-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595548965 347317869 /nfs/dbraw/zinc/31/78/69/347317869.db2.gz BILXDXXMWCAEBK-OUAUKWLOSA-N 1 0 266.316 3.210 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000595565176 347320309 /nfs/dbraw/zinc/32/03/09/347320309.db2.gz CEFFRBWPOQIRPH-WFASDCNBSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000596231528 347401782 /nfs/dbraw/zinc/40/17/82/347401782.db2.gz KMEWGRQPIQUQIT-PWSUYJOCSA-N 1 0 295.408 3.028 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000595857299 347367931 /nfs/dbraw/zinc/36/79/31/347367931.db2.gz JLMVUJBBNLVDMV-AGUYFDCRSA-N 1 0 290.363 3.237 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000595919098 347372520 /nfs/dbraw/zinc/37/25/20/347372520.db2.gz HRYVXUGVGUBDAD-XIKARTHZSA-N 1 0 260.337 3.449 20 5 CGBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596062179 347378959 /nfs/dbraw/zinc/37/89/59/347378959.db2.gz NMKYJXHJPPIZJS-UHFFFAOYSA-N 1 0 283.397 3.249 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000596076870 347379585 /nfs/dbraw/zinc/37/95/85/347379585.db2.gz QYYUTVKQBOPALX-CMPLNLGQSA-N 1 0 281.381 3.003 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC000596076873 347379768 /nfs/dbraw/zinc/37/97/68/347379768.db2.gz QYYUTVKQBOPALX-PWSUYJOCSA-N 1 0 281.381 3.003 20 5 CGBDRO Cc1cc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])s1 ZINC000596106129 347383797 /nfs/dbraw/zinc/38/37/97/347383797.db2.gz PNDWRHAKPJOZEG-UHFFFAOYSA-N 1 0 283.397 3.109 20 5 CGBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141112 347387834 /nfs/dbraw/zinc/38/78/34/347387834.db2.gz IUBNFWCYFGCXHQ-GFCCVEGCSA-N 1 0 297.424 3.133 20 5 CGBDRO Cc1cc(N2CC[C@H]3C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596509243 347470764 /nfs/dbraw/zinc/47/07/64/347470764.db2.gz HOBYSMQUPYTPKV-RYUDHWBXSA-N 1 0 283.331 3.298 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351845551 219224443 /nfs/dbraw/zinc/22/44/43/219224443.db2.gz TZKSFSSFRPVNFI-AWEZNQCLSA-N 1 0 284.306 3.493 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000597223123 347556844 /nfs/dbraw/zinc/55/68/44/347556844.db2.gz KVAWLJMUSCVFEF-UWVGGRQHSA-N 1 0 298.289 3.038 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000597244021 347562475 /nfs/dbraw/zinc/56/24/75/347562475.db2.gz KIOHZTCXABMDAO-XQRVVYSFSA-N 1 0 290.388 3.213 20 5 CGBDRO C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954741 347700524 /nfs/dbraw/zinc/70/05/24/347700524.db2.gz GHHBSMFBMCMNDS-OCCSQVGLSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954740 347700902 /nfs/dbraw/zinc/70/09/02/347700902.db2.gz GHHBSMFBMCMNDS-JSGCOSHPSA-N 1 0 291.395 3.118 20 5 CGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994564 347705173 /nfs/dbraw/zinc/70/51/73/347705173.db2.gz BCRQKWSOYVTJLG-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC=CCC2)cs1 ZINC000599001525 347705530 /nfs/dbraw/zinc/70/55/30/347705530.db2.gz UDDISPGAVZRGLB-LLVKDONJSA-N 1 0 266.366 3.492 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CC=CCC2)c1 ZINC000599001859 347705713 /nfs/dbraw/zinc/70/57/13/347705713.db2.gz XPEBMZKRIQDVTM-ZDUSSCGKSA-N 1 0 260.337 3.431 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCCC23CC3)c1 ZINC000599017299 347706899 /nfs/dbraw/zinc/70/68/99/347706899.db2.gz OELYTGLBZCOMED-CYBMUJFWSA-N 1 0 260.337 3.265 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC3(CC3)CC2)c1 ZINC000599673539 347764274 /nfs/dbraw/zinc/76/42/74/347764274.db2.gz SQFZKUSFKLBUDU-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO O=[N+]([O-])c1sccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599165239 347722492 /nfs/dbraw/zinc/72/24/92/347722492.db2.gz OMWUPADFNAIUMS-NSHDSACASA-N 1 0 281.381 3.085 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c1 ZINC000599553385 347754540 /nfs/dbraw/zinc/75/45/40/347754540.db2.gz RSBKWJMEFBNXRE-KGLIPLIRSA-N 1 0 278.377 3.065 20 5 CGBDRO Cc1cc(-c2ccc(F)cc2[N+](=O)[O-])cc2c1C[NH2+]CC2 ZINC000600789883 347836195 /nfs/dbraw/zinc/83/61/95/347836195.db2.gz OCSRPIXJMQYWOL-UHFFFAOYSA-N 1 0 286.306 3.355 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000601156735 347876100 /nfs/dbraw/zinc/87/61/00/347876100.db2.gz YJTKNJQPQWRGFU-HZPDHXFCSA-N 1 0 290.363 3.032 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3CCCC3)nc2c1 ZINC000602509659 347972671 /nfs/dbraw/zinc/97/26/71/347972671.db2.gz GMFSIQZIVQTWIC-UHFFFAOYSA-N 1 0 289.335 3.406 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602620477 347995859 /nfs/dbraw/zinc/99/58/59/347995859.db2.gz XPKLGLPKBUDVSA-SNVBAGLBSA-N 1 0 289.335 3.404 20 5 CGBDRO Cc1cnc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000602558469 347981540 /nfs/dbraw/zinc/98/15/40/347981540.db2.gz AVVBSTGEDHTMDE-UHFFFAOYSA-N 1 0 289.335 3.004 20 5 CGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602809400 348032232 /nfs/dbraw/zinc/03/22/32/348032232.db2.gz HAMVEYXHHWEWFZ-ZIAGYGMSSA-N 1 0 294.399 3.048 20 5 CGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC000609560574 348346873 /nfs/dbraw/zinc/34/68/73/348346873.db2.gz PHWOLHPMAYHEFY-TUAOUCFPSA-N 1 0 297.424 3.435 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610372171 348380233 /nfs/dbraw/zinc/38/02/33/348380233.db2.gz HFMIRNIDGDQVOP-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000339457957 215185336 /nfs/dbraw/zinc/18/53/36/215185336.db2.gz JJRGLOXHXKFZLP-FUEXJSSKSA-N 1 0 299.330 3.059 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOC(C)(C)C ZINC000610859745 348406931 /nfs/dbraw/zinc/40/69/31/348406931.db2.gz KVGWYZRJFRZKMT-GFCCVEGCSA-N 1 0 280.368 3.403 20 5 CGBDRO Cc1nc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000357792189 233005713 /nfs/dbraw/zinc/00/57/13/233005713.db2.gz IXJZQHAWGDJALI-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO CCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581790 348391214 /nfs/dbraw/zinc/39/12/14/348391214.db2.gz OMAYCMCLDIFDTP-UHFFFAOYSA-N 1 0 275.308 3.110 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CC[NH+](C3CCCCC3)CC2)s1 ZINC000610808765 348404546 /nfs/dbraw/zinc/40/45/46/348404546.db2.gz ABEVXUVWGFPFCC-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)CC2CCC2)cc1[N+](=O)[O-] ZINC000611335493 348438650 /nfs/dbraw/zinc/43/86/50/348438650.db2.gz CNMUZQKGHHQBGP-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180547 348427013 /nfs/dbraw/zinc/42/70/13/348427013.db2.gz ZEQQMEYLPLZGFA-UWVGGRQHSA-N 1 0 270.279 3.243 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CC1 ZINC000351978389 219273464 /nfs/dbraw/zinc/27/34/64/219273464.db2.gz RYDWSGBYDVPUPX-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000358368969 233118480 /nfs/dbraw/zinc/11/84/80/233118480.db2.gz OGABJJPZCMQJPB-QWRGUYRKSA-N 1 0 274.324 3.038 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618988410 349191763 /nfs/dbraw/zinc/19/17/63/349191763.db2.gz IQSOMPIURPQEOH-YGRLFVJLSA-N 1 0 292.379 3.066 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCC23CCC3)cccc1[N+](=O)[O-] ZINC000619724197 349279636 /nfs/dbraw/zinc/27/96/36/349279636.db2.gz OWMYWWFLJCEOBS-CQSZACIVSA-N 1 0 260.337 3.326 20 5 CGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000619845997 349287332 /nfs/dbraw/zinc/28/73/32/349287332.db2.gz KHFRDZDFKKHAKE-SNVBAGLBSA-N 1 0 290.367 3.243 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCOCC1 ZINC000537357325 288526021 /nfs/dbraw/zinc/52/60/21/288526021.db2.gz MPAHKRKKSDSONU-OLZOCXBDSA-N 1 0 278.352 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+](CC2CC2)CC2CC2)c1 ZINC000115563343 186678039 /nfs/dbraw/zinc/67/80/39/186678039.db2.gz LGJIYWOWNKZGMB-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO CC(C)([NH2+]Cc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000291701669 198063578 /nfs/dbraw/zinc/06/35/78/198063578.db2.gz KFKLLUMOQJXRGL-UHFFFAOYSA-N 1 0 271.320 3.015 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@H](C)C1 ZINC000271511423 191183344 /nfs/dbraw/zinc/18/33/44/191183344.db2.gz NESJDDLHLDOHKC-NFAWXSAZSA-N 1 0 292.379 3.073 20 5 CGBDRO C[N@@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)CC1CC1 ZINC000153057914 188062648 /nfs/dbraw/zinc/06/26/48/188062648.db2.gz IUCDHKJIPFTJDO-UHFFFAOYSA-N 1 0 287.319 3.092 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](CC)COC)cc1[N+](=O)[O-] ZINC000153900646 188110466 /nfs/dbraw/zinc/11/04/66/188110466.db2.gz QHNRONUUQBDFLQ-AAEUAGOBSA-N 1 0 296.367 3.069 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157678504 188331708 /nfs/dbraw/zinc/33/17/08/188331708.db2.gz QBHGKRRKTHAMPV-WOSRLPQWSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420401061 235746522 /nfs/dbraw/zinc/74/65/22/235746522.db2.gz KLWBWBWNCIHYBE-IUODEOHRSA-N 1 0 297.358 3.046 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123639210 138368549 /nfs/dbraw/zinc/36/85/49/138368549.db2.gz OJYPNLBSAISGSQ-JKSUJKDBSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000246881713 138539607 /nfs/dbraw/zinc/53/96/07/138539607.db2.gz DQPYROKXIPDSFJ-QOWREQOWSA-N 1 0 290.363 3.059 20 5 CGBDRO CC[NH+](CC)CCSCc1ccc([N+](=O)[O-])cc1F ZINC000311617491 138584536 /nfs/dbraw/zinc/58/45/36/138584536.db2.gz WPPDPIYJZMWIBN-UHFFFAOYSA-N 1 0 286.372 3.309 20 5 CGBDRO COC[C@]1(C)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843844 200012666 /nfs/dbraw/zinc/01/26/66/200012666.db2.gz SVHCKWUZVSXTLR-SWLSCSKDSA-N 1 0 278.352 3.014 20 5 CGBDRO CC(C)OCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180458120 189256578 /nfs/dbraw/zinc/25/65/78/189256578.db2.gz VSLAEFUWZYZAOC-CYBMUJFWSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301472054 201020758 /nfs/dbraw/zinc/02/07/58/201020758.db2.gz PUIYMIFOJMLTEJ-LBPRGKRZSA-N 1 0 297.786 3.169 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301486104 201026297 /nfs/dbraw/zinc/02/62/97/201026297.db2.gz ZTPGPNALAZPDLE-CQSZACIVSA-N 1 0 289.379 3.271 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000342329268 216313421 /nfs/dbraw/zinc/31/34/21/216313421.db2.gz HTFCRTALXFPPFT-PHIMTYICSA-N 1 0 266.316 3.497 20 5 CGBDRO C[C@H](CNc1sccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000301939822 201269630 /nfs/dbraw/zinc/26/96/30/201269630.db2.gz UAPJDYONDHEXFD-LLVKDONJSA-N 1 0 283.397 3.190 20 5 CGBDRO O=[N+]([O-])c1ccsc1NCCC[NH2+]C1CCCCC1 ZINC000301973676 201283730 /nfs/dbraw/zinc/28/37/30/201283730.db2.gz ADCGBLGDZMHXMF-UHFFFAOYSA-N 1 0 283.397 3.381 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000342546153 216393424 /nfs/dbraw/zinc/39/34/24/216393424.db2.gz RWGAYXXTPMZDLS-LBPRGKRZSA-N 1 0 295.358 3.124 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449175508 239222790 /nfs/dbraw/zinc/22/27/90/239222790.db2.gz OHXXOYPAHHJZOW-DOMZBBRYSA-N 1 0 294.395 3.177 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(F)C1 ZINC000449376737 239364475 /nfs/dbraw/zinc/36/44/75/239364475.db2.gz OXDYSVQDYQNPNK-NUYPLMSZSA-N 1 0 280.343 3.396 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120226455 370749767 /nfs/dbraw/zinc/74/97/67/370749767.db2.gz VJGRRHHGQXVRHE-NOLJZWGESA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902175 240380341 /nfs/dbraw/zinc/38/03/41/240380341.db2.gz NWPMWGVOBWNEKF-XJKSGUPXSA-N 1 0 290.363 3.158 20 5 CGBDRO Cc1cc(NCC2CC[NH+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302822476 201566057 /nfs/dbraw/zinc/56/60/57/201566057.db2.gz KRCFQZOUJUFSTH-UHFFFAOYSA-N 1 0 297.786 3.310 20 5 CGBDRO Cc1cc(NCC(C)(C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000478046099 243066977 /nfs/dbraw/zinc/06/69/77/243066977.db2.gz HWNORXCXKCXXBM-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[C@@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000481591381 243198912 /nfs/dbraw/zinc/19/89/12/243198912.db2.gz HGWUYQZVGXTCEK-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000481190436 243182511 /nfs/dbraw/zinc/18/25/11/243182511.db2.gz OQLJJLVJXNRRJW-HZSPNIEDSA-N 1 0 292.379 3.388 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814785 369233262 /nfs/dbraw/zinc/23/32/62/369233262.db2.gz UWNNSVHLQRNTRL-CABCVRRESA-N 1 0 278.352 3.205 20 5 CGBDRO CCc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000051724718 369453843 /nfs/dbraw/zinc/45/38/43/369453843.db2.gz DUXWJYQKUJYFTR-UHFFFAOYSA-N 1 0 274.320 3.083 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C1CC1)C1CC1 ZINC000276267792 193263973 /nfs/dbraw/zinc/26/39/73/193263973.db2.gz CGEMFNNNABGROZ-UHFFFAOYSA-N 1 0 278.327 3.354 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2nccs2)cc1[N+](=O)[O-] ZINC000063133625 369640469 /nfs/dbraw/zinc/64/04/69/369640469.db2.gz JKGSLKSJTPEAMN-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091937434 370083208 /nfs/dbraw/zinc/08/32/08/370083208.db2.gz NGZXHJFRAWOTEH-YTDWTQRBSA-N 1 0 260.337 3.481 20 5 CGBDRO CC(C)(C)OC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000118967594 370632692 /nfs/dbraw/zinc/63/26/92/370632692.db2.gz CVOVTWYMSMNDEX-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO O=[N+]([O-])c1cccc2c1ccn2CC[NH+]1CCCCC1 ZINC000129696305 370997661 /nfs/dbraw/zinc/99/76/61/370997661.db2.gz ZAKPTUJBSQMIPJ-UHFFFAOYSA-N 1 0 273.336 3.035 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cs1 ZINC000136694106 371481695 /nfs/dbraw/zinc/48/16/95/371481695.db2.gz MSODGLSZENJQRB-LBPRGKRZSA-N 1 0 296.392 3.238 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344025219 217015821 /nfs/dbraw/zinc/01/58/21/217015821.db2.gz ILFXGJKWNNUUNN-ZDUSSCGKSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000220326514 376207834 /nfs/dbraw/zinc/20/78/34/376207834.db2.gz JVYRCCADHTZBOU-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000286861673 371564405 /nfs/dbraw/zinc/56/44/05/371564405.db2.gz BDEWTHXEEWJROH-VXGBXAGGSA-N 1 0 280.393 3.389 20 5 CGBDRO COCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000337236716 213950176 /nfs/dbraw/zinc/95/01/76/213950176.db2.gz CHLSSESUIAXYAD-DAXSKMNVSA-N 1 0 290.363 3.014 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153169427 371753960 /nfs/dbraw/zinc/75/39/60/371753960.db2.gz BRVLLPAXYLXEFN-BNOWGMLFSA-N 1 0 260.337 3.388 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289790975 371822291 /nfs/dbraw/zinc/82/22/91/371822291.db2.gz MIMSOWJVTCGULO-JTQLQIEISA-N 1 0 270.279 3.072 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000290050412 371889731 /nfs/dbraw/zinc/88/97/31/371889731.db2.gz GLJNGARLUXOLTD-UHFFFAOYSA-N 1 0 280.368 3.137 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](C)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000290142306 371914429 /nfs/dbraw/zinc/91/44/29/371914429.db2.gz KRVZRIQWWBQRDJ-TYNCELHUSA-N 1 0 280.368 3.449 20 5 CGBDRO Cc1ccc(NCCC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000159606546 372161748 /nfs/dbraw/zinc/16/17/48/372161748.db2.gz YZRHZOYZTLNPID-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO CS[C@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000425369084 372123206 /nfs/dbraw/zinc/12/32/06/372123206.db2.gz LCKXEUSFKVAIFF-XDTLVQLUSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@]1(O)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000428431372 372197185 /nfs/dbraw/zinc/19/71/85/372197185.db2.gz SPICHVKVPCAKGB-INIZCTEOSA-N 1 0 292.379 3.065 20 5 CGBDRO CC(C)C1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000292977705 372267359 /nfs/dbraw/zinc/26/73/59/372267359.db2.gz KWQJTUFPEOCWHD-UHFFFAOYSA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000293231479 372331975 /nfs/dbraw/zinc/33/19/75/372331975.db2.gz AVYDQZSJQIBFMV-SECBINFHSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCCS1 ZINC000344331828 217155041 /nfs/dbraw/zinc/15/50/41/217155041.db2.gz BINJZNCKYFILOA-VSKVDJIOSA-N 1 0 292.404 3.483 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000430225092 372386303 /nfs/dbraw/zinc/38/63/03/372386303.db2.gz LFFANFZWLFVHEK-RYUDHWBXSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000163887305 372498926 /nfs/dbraw/zinc/49/89/26/372498926.db2.gz SFQNKVNTRJPBHS-NWDGAFQWSA-N 1 0 288.351 3.049 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000344449820 217194322 /nfs/dbraw/zinc/19/43/22/217194322.db2.gz OMFODIHDSCGESE-NEPJUHHUSA-N 1 0 296.392 3.094 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000344449822 217194702 /nfs/dbraw/zinc/19/47/02/217194702.db2.gz OMFODIHDSCGESE-RYUDHWBXSA-N 1 0 296.392 3.094 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165452752 372551582 /nfs/dbraw/zinc/55/15/82/372551582.db2.gz GUCNIHDOHMUAKM-HUUCEWRRSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432321983 372558444 /nfs/dbraw/zinc/55/84/44/372558444.db2.gz JQKIRIVSPAAMEI-UWVGGRQHSA-N 1 0 295.770 3.285 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@](C)(O)C(C)C)cc1[N+](=O)[O-] ZINC000171842568 372838748 /nfs/dbraw/zinc/83/87/48/372838748.db2.gz WBVBCILNNZDLAG-INIZCTEOSA-N 1 0 294.395 3.215 20 5 CGBDRO CC(F)(F)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000295998145 372988888 /nfs/dbraw/zinc/98/88/88/372988888.db2.gz KTACEMBTJKHXPR-GQCTYLIASA-N 1 0 270.279 3.243 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC(C[NH+](C)C)CC2)c1 ZINC000441924649 373039855 /nfs/dbraw/zinc/03/98/55/373039855.db2.gz FJMUFXWTMKJHNR-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO CSCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344832639 217326874 /nfs/dbraw/zinc/32/68/74/217326874.db2.gz SMGHMLKKXSJHLX-XFXZXTDPSA-N 1 0 280.393 3.341 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296254634 373069953 /nfs/dbraw/zinc/06/99/53/373069953.db2.gz CZKDZKMTDYAZPU-XJKSGUPXSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOCCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344859493 217336829 /nfs/dbraw/zinc/33/68/29/217336829.db2.gz NGJDRCUVMMRXHY-KAMYIIQDSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000296599639 373190883 /nfs/dbraw/zinc/19/08/83/373190883.db2.gz VMHJAFCPZKGDRR-BXUZGUMPSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296636675 373201736 /nfs/dbraw/zinc/20/17/36/373201736.db2.gz XUBIUXVTMXUMKE-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCOC1 ZINC000344898196 217349201 /nfs/dbraw/zinc/34/92/01/217349201.db2.gz ZXSBQRUGHBDFBM-RQPMMQJISA-N 1 0 290.363 3.014 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000174364939 373301326 /nfs/dbraw/zinc/30/13/26/373301326.db2.gz QPPOPXVEDSFSQW-FZMZJTMJSA-N 1 0 280.393 3.483 20 5 CGBDRO C[C@@]12CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@@H]1C2(F)F ZINC000298417180 373321730 /nfs/dbraw/zinc/32/17/30/373321730.db2.gz XLIVDYQXMZOLRA-QWHCGFSZSA-N 1 0 282.290 3.072 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000539052840 288600732 /nfs/dbraw/zinc/60/07/32/288600732.db2.gz LOBAORNTOLXTLY-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO Cc1cncc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539055077 288600735 /nfs/dbraw/zinc/60/07/35/288600735.db2.gz WAAOFDMSUXJZGY-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCS1 ZINC000345043366 217394573 /nfs/dbraw/zinc/39/45/73/217394573.db2.gz HQWIMNRZZSRVPJ-LDCOFTPGSA-N 1 0 292.404 3.483 20 5 CGBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000176335666 373583036 /nfs/dbraw/zinc/58/30/36/373583036.db2.gz BNPQOZRSZSLGJM-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000301094221 373658535 /nfs/dbraw/zinc/65/85/35/373658535.db2.gz MDQBDSJYQAGETF-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000301168790 373681281 /nfs/dbraw/zinc/68/12/81/373681281.db2.gz CXSFQNGUABLFLB-NSHDSACASA-N 1 0 293.342 3.163 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449401180 373685767 /nfs/dbraw/zinc/68/57/67/373685767.db2.gz FULZWPNOPCLACY-ABAIWWIYSA-N 1 0 280.368 3.054 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449695030 373844393 /nfs/dbraw/zinc/84/43/93/373844393.db2.gz DHKICZQVVANJMN-HYXAFXHYSA-N 1 0 299.330 3.263 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451548541 374202555 /nfs/dbraw/zinc/20/25/55/374202555.db2.gz RXFVISOBKYTHLW-YWPYICTPSA-N 1 0 278.352 3.013 20 5 CGBDRO COc1cccc2c1CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000182716741 374317106 /nfs/dbraw/zinc/31/71/06/374317106.db2.gz SMQZYEHGZRZRFA-UHFFFAOYSA-N 1 0 298.342 3.162 20 5 CGBDRO COC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000319457805 374346067 /nfs/dbraw/zinc/34/60/67/374346067.db2.gz OIIOCXFSJZTDEC-UHFFFAOYSA-N 1 0 292.379 3.076 20 5 CGBDRO CSCCCCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000185164881 374600123 /nfs/dbraw/zinc/60/01/23/374600123.db2.gz XMUGBSZRRINWLS-UHFFFAOYSA-N 1 0 268.382 3.218 20 5 CGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000185239636 374618584 /nfs/dbraw/zinc/61/85/84/374618584.db2.gz ZXOJRKFJVMHSDT-HUUCEWRRSA-N 1 0 292.379 3.277 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464813160 374903357 /nfs/dbraw/zinc/90/33/57/374903357.db2.gz HMJNKRSLMYTGGE-STQMWFEESA-N 1 0 262.353 3.258 20 5 CGBDRO CCc1cccnc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000507522424 375712108 /nfs/dbraw/zinc/71/21/08/375712108.db2.gz GNPXXCHORRPXHK-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO C[N@H+](Cc1c(F)cc([N+](=O)[O-])cc1F)C(C1CC1)C1CC1 ZINC000509260264 375777939 /nfs/dbraw/zinc/77/79/39/375777939.db2.gz NCYJOPOHRMSFIO-UHFFFAOYSA-N 1 0 296.317 3.493 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336812203 375965321 /nfs/dbraw/zinc/96/53/21/375965321.db2.gz QMPRFXAYVANWHM-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO C=Cn1cc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194354821 375989782 /nfs/dbraw/zinc/98/97/82/375989782.db2.gz JAQHSBYCVKWPBA-HNNXBMFYSA-N 1 0 286.335 3.133 20 5 CGBDRO C[C@H]([NH2+]CCN(C)c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000537176388 376151187 /nfs/dbraw/zinc/15/11/87/376151187.db2.gz FFGMXPRGKJQEOK-AWEZNQCLSA-N 1 0 299.374 3.382 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537616552 376181743 /nfs/dbraw/zinc/18/17/43/376181743.db2.gz FNUJQOYLTVDTHM-JOVKLMRISA-N 1 0 260.337 3.338 20 5 CGBDRO Cc1cc(NCCC[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000227999574 376422474 /nfs/dbraw/zinc/42/24/74/376422474.db2.gz WKJLBCRUOKXELA-LLVKDONJSA-N 1 0 289.335 3.024 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CCSC2)c1 ZINC000226384479 376356597 /nfs/dbraw/zinc/35/65/97/376356597.db2.gz RSCRJWXCRFDGAA-VIFPVBQESA-N 1 0 286.784 3.091 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H]2C2CC2)cc1 ZINC000540302965 376369845 /nfs/dbraw/zinc/36/98/45/376369845.db2.gz VMVHIGSUZMQCGI-JKSUJKDBSA-N 1 0 274.364 3.306 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000230416950 376519177 /nfs/dbraw/zinc/51/91/77/376519177.db2.gz KQMOFWFLZPFTID-LLVKDONJSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000231691935 376567097 /nfs/dbraw/zinc/56/70/97/376567097.db2.gz KQTSBQGIKOCLKR-YUELXQCFSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000544118045 376705152 /nfs/dbraw/zinc/70/51/52/376705152.db2.gz UGFKGLOBNYEZQZ-GFCCVEGCSA-N 1 0 262.353 3.463 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC12CCC(CC1)C2 ZINC000339788907 376847786 /nfs/dbraw/zinc/84/77/86/376847786.db2.gz IRCRBWKXRBLUKM-UHFFFAOYSA-N 1 0 260.337 3.265 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCCOC1 ZINC000558414095 377004769 /nfs/dbraw/zinc/00/47/69/377004769.db2.gz WSPFGIONXLVJIF-WQMJKPAKSA-N 1 0 290.363 3.109 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000340472053 377082773 /nfs/dbraw/zinc/08/27/73/377082773.db2.gz ZNVTVKRMZGSJSE-WDEREUQCSA-N 1 0 284.331 3.392 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248066001 377264793 /nfs/dbraw/zinc/26/47/93/377264793.db2.gz MGBFPMKHYSSWJH-AEGPPILISA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094950860 249042999 /nfs/dbraw/zinc/04/29/99/249042999.db2.gz XCINZTGTOLYEOW-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184652045 249055998 /nfs/dbraw/zinc/05/59/98/249055998.db2.gz XISQOVVMAQTQGU-GFCCVEGCSA-N 1 0 278.352 3.142 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000265224067 190167244 /nfs/dbraw/zinc/16/72/44/190167244.db2.gz OCRJOCYLGRFPTA-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000515300512 249207139 /nfs/dbraw/zinc/20/71/39/249207139.db2.gz SRTMBVJZNIGCKD-OLZOCXBDSA-N 1 0 266.316 3.274 20 5 CGBDRO C[C@@H]1SCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000255002841 377723124 /nfs/dbraw/zinc/72/31/24/377723124.db2.gz MUANCIBOSZIRRM-REPZICSESA-N 1 0 292.404 3.434 20 5 CGBDRO Cc1ccnc([C@@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000575135317 377754227 /nfs/dbraw/zinc/75/42/27/377754227.db2.gz ZZISNGHMVJTQRR-OAHLLOKOSA-N 1 0 297.358 3.288 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC2(CCC2)C1 ZINC000255503651 377763565 /nfs/dbraw/zinc/76/35/65/377763565.db2.gz PGARYVNZMRRYLF-UTCJRWHESA-N 1 0 272.348 3.484 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000343014914 377881614 /nfs/dbraw/zinc/88/16/14/377881614.db2.gz LLMGTGQIZCOMJH-MRXNPFEDSA-N 1 0 290.363 3.238 20 5 CGBDRO CCN(CCC[NH+]1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000343204125 377928762 /nfs/dbraw/zinc/92/87/62/377928762.db2.gz IUZBRMPKQMJFLB-UHFFFAOYSA-N 1 0 295.358 3.046 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000578475964 378073329 /nfs/dbraw/zinc/07/33/29/378073329.db2.gz QRBKGLFAHLWUQN-GFCCVEGCSA-N 1 0 265.357 3.127 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](OC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000268914193 378152011 /nfs/dbraw/zinc/15/20/11/378152011.db2.gz IMGDYESSVBOSDR-GJZGRUSLSA-N 1 0 280.368 3.307 20 5 CGBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269639659 378247709 /nfs/dbraw/zinc/24/77/09/378247709.db2.gz IOIRFPCBIQWFAC-INIZCTEOSA-N 1 0 292.379 3.281 20 5 CGBDRO CC1CCC([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269693635 378255571 /nfs/dbraw/zinc/25/55/71/378255571.db2.gz JKKNVVIPVWDALN-LDZOIKDWSA-N 1 0 292.379 3.139 20 5 CGBDRO CC1CCC([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269693638 378256036 /nfs/dbraw/zinc/25/60/36/378256036.db2.gz JKKNVVIPVWDALN-PXCJXSSVSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1cccc(CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000348555923 378994115 /nfs/dbraw/zinc/99/41/15/378994115.db2.gz XLOWKAZPWQZMOK-CYBMUJFWSA-N 1 0 285.347 3.491 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)c1 ZINC000278672098 194094854 /nfs/dbraw/zinc/09/48/54/194094854.db2.gz IISQRBSCVJNFCU-NSHDSACASA-N 1 0 288.269 3.369 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)CC1 ZINC000277214455 379100135 /nfs/dbraw/zinc/10/01/35/379100135.db2.gz NOGOBPLFBXQMSD-KGLIPLIRSA-N 1 0 291.395 3.072 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000277200583 379095686 /nfs/dbraw/zinc/09/56/86/379095686.db2.gz JLOUJOVFTIVOQO-GXTWGEPZSA-N 1 0 280.393 3.215 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c(F)c1 ZINC000349124395 379164921 /nfs/dbraw/zinc/16/49/21/379164921.db2.gz BDYPCIQBKKWYAV-HYVNUMGLSA-N 1 0 298.317 3.162 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000371323073 379139383 /nfs/dbraw/zinc/13/93/83/379139383.db2.gz KSMARYDKYJXLSN-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccon1 ZINC000349832943 379411818 /nfs/dbraw/zinc/41/18/18/379411818.db2.gz KLUCLKIXAPAMIX-RYUDHWBXSA-N 1 0 289.335 3.255 20 5 CGBDRO CC1(C)C[C@H]([NH2+]C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000279226008 379415831 /nfs/dbraw/zinc/41/58/31/379415831.db2.gz ZLASTTUBKDXDBQ-DOMZBBRYSA-N 1 0 290.363 3.086 20 5 CGBDRO CO[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000349961653 379460628 /nfs/dbraw/zinc/46/06/28/379460628.db2.gz BPGIWRJLSYDPBR-CYBMUJFWSA-N 1 0 280.368 3.149 20 5 CGBDRO CCn1nccc1CN(C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000352365154 379781457 /nfs/dbraw/zinc/78/14/57/379781457.db2.gz NTPFMIJTFRLHOR-LBPRGKRZSA-N 1 0 288.351 3.004 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000393583832 379915524 /nfs/dbraw/zinc/91/55/24/379915524.db2.gz NEIVWZHPDWWBHC-LLVKDONJSA-N 1 0 280.368 3.043 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000352670646 379902678 /nfs/dbraw/zinc/90/26/78/379902678.db2.gz HPDPMVLFBKLTDO-LYASGUKUSA-N 1 0 290.363 3.109 20 5 CGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963580 380255827 /nfs/dbraw/zinc/25/58/27/380255827.db2.gz XTOHCYNZSUJXDT-GDBMZVCRSA-N 1 0 292.379 3.230 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972758 380260127 /nfs/dbraw/zinc/26/01/27/380260127.db2.gz ORIMDBWAMHIJAS-XJKSGUPXSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H](CCCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310492 380590021 /nfs/dbraw/zinc/59/00/21/380590021.db2.gz KGXPLBXBOMJQAZ-BLLLJJGKSA-N 1 0 292.379 3.113 20 5 CGBDRO CC(C)(C)CC[C@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000355722946 380760049 /nfs/dbraw/zinc/76/00/49/380760049.db2.gz BNLGTTVQMJPSOG-GFCCVEGCSA-N 1 0 298.358 3.011 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC1CC1)C1CCC1 ZINC000355727650 380761396 /nfs/dbraw/zinc/76/13/96/380761396.db2.gz JZBSUZFLRVWYOT-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO Cc1ccncc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000355603095 380724676 /nfs/dbraw/zinc/72/46/76/380724676.db2.gz WWGHWLLNRFTIQM-ALCCZGGFSA-N 1 0 297.358 3.443 20 5 CGBDRO CC[C@@H](C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295795 380795326 /nfs/dbraw/zinc/79/53/26/380795326.db2.gz XAXIBOJZLCFHJX-HOCLYGCPSA-N 1 0 292.379 3.199 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000357342899 381116545 /nfs/dbraw/zinc/11/65/45/381116545.db2.gz FBTPEOKUEJVXPO-GDBMZVCRSA-N 1 0 292.379 3.196 20 5 CGBDRO CSc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccn1 ZINC000357354924 381123512 /nfs/dbraw/zinc/12/35/12/381123512.db2.gz MZHJDWASLNHTHY-UHFFFAOYSA-N 1 0 289.360 3.002 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000357725814 381266335 /nfs/dbraw/zinc/26/63/35/381266335.db2.gz DJUNHYMPEUUDCQ-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000361252362 381665648 /nfs/dbraw/zinc/66/56/48/381665648.db2.gz QPBJKDIEYGLYAX-CQSZACIVSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC[NH+](CCC)CCCNc1ncc(C)cc1[N+](=O)[O-] ZINC000361274115 381671127 /nfs/dbraw/zinc/67/11/27/381671127.db2.gz WHKLZKRYZCZKSQ-UHFFFAOYSA-N 1 0 294.399 3.222 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@H]2C2CCC2)cc1 ZINC000418132982 285113644 /nfs/dbraw/zinc/11/36/44/285113644.db2.gz ZYVDOXFGEIMABA-HNNXBMFYSA-N 1 0 292.404 3.312 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C23CCC(CC2)CC3)cc1 ZINC000449531116 285114217 /nfs/dbraw/zinc/11/42/17/285114217.db2.gz CEEFTXLLJZKSMO-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)cc1 ZINC000344832354 285115761 /nfs/dbraw/zinc/11/57/61/285115761.db2.gz XPMZJTBPRDRUQS-NSHDSACASA-N 1 0 270.279 3.262 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](F)C1)CCC2 ZINC000332006124 285145778 /nfs/dbraw/zinc/14/57/78/285145778.db2.gz FAQZGFTWZZYZIA-TYNCELHUSA-N 1 0 278.327 3.452 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000424343255 285161298 /nfs/dbraw/zinc/16/12/98/285161298.db2.gz GTYGZLVINQUQJX-QKPAOTATSA-N 1 0 286.375 3.304 20 5 CGBDRO C[C@@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173362461 533547953 /nfs/dbraw/zinc/54/79/53/533547953.db2.gz PCLKEPMSOSYQGC-IUODEOHRSA-N 1 0 298.342 3.249 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191651848 130271003 /nfs/dbraw/zinc/27/10/03/130271003.db2.gz CGWQKJBGFDMTDB-MJVIPROJSA-N 1 0 266.341 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3c(O)cccc32)cc1 ZINC000191656690 130273417 /nfs/dbraw/zinc/27/34/17/130273417.db2.gz CSCPBSHZPRFRCK-INIZCTEOSA-N 1 0 298.342 3.468 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1ccc([N+](=O)[O-])cc1 ZINC000040735902 391985253 /nfs/dbraw/zinc/98/52/53/391985253.db2.gz ZOWDVSZKEVGJOL-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726393 392133569 /nfs/dbraw/zinc/13/35/69/392133569.db2.gz UGXRCIKQUPANDA-NWDGAFQWSA-N 1 0 250.342 3.162 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109544473 392366192 /nfs/dbraw/zinc/36/61/92/392366192.db2.gz KSQKHNKFKQNNLR-HIFRSBDPSA-N 1 0 278.352 3.205 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)C1 ZINC000505321397 392658442 /nfs/dbraw/zinc/65/84/42/392658442.db2.gz UIPWSEOSUJHLEE-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[NH+](CC2CC2)CC2CC2)c(F)c1 ZINC000509363809 392747280 /nfs/dbraw/zinc/74/72/80/392747280.db2.gz BXRYIIUURYBTGN-UHFFFAOYSA-N 1 0 296.317 3.495 20 5 CGBDRO C[C@@H]1CC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738940 392817998 /nfs/dbraw/zinc/81/79/98/392817998.db2.gz OVXFQFNJTKHJQV-WBMJQRKESA-N 1 0 290.363 3.127 20 5 CGBDRO C[N@@H+]1CCC[C@H]1CCSc1ccc([N+](=O)[O-])cc1F ZINC000193504070 392879253 /nfs/dbraw/zinc/87/92/53/392879253.db2.gz CEPLOYQGJDJQAX-JTQLQIEISA-N 1 0 284.356 3.310 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525275205 392937605 /nfs/dbraw/zinc/93/76/05/392937605.db2.gz WXQHXSMSWSMVTC-GRYCIOLGSA-N 1 0 280.393 3.482 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341996159 392995647 /nfs/dbraw/zinc/99/56/47/392995647.db2.gz VNJDSRGCSRILFG-CJNGLKHVSA-N 1 0 290.363 3.158 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)ccc1[N+](=O)[O-] ZINC000546833244 393076265 /nfs/dbraw/zinc/07/62/65/393076265.db2.gz JFFYRKYPOHAECV-LBPRGKRZSA-N 1 0 292.379 3.471 20 5 CGBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])c(C)c1 ZINC000469052620 393175349 /nfs/dbraw/zinc/17/53/49/393175349.db2.gz SUHYDSLICOJNBV-UHFFFAOYSA-N 1 0 279.384 3.071 20 5 CGBDRO CCCCOCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468644309 393156916 /nfs/dbraw/zinc/15/69/16/393156916.db2.gz ZTGLRZLMYYLQKJ-SDNWHVSQSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000547957001 393160614 /nfs/dbraw/zinc/16/06/14/393160614.db2.gz LQIMHSCCLFJEFS-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)OC ZINC000276873606 393301104 /nfs/dbraw/zinc/30/11/04/393301104.db2.gz FGZNOWHMARQWSB-NEPJUHHUSA-N 1 0 298.408 3.090 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278249058 393315915 /nfs/dbraw/zinc/31/59/15/393315915.db2.gz OYANIOHFBTVFLT-CYBMUJFWSA-N 1 0 293.323 3.123 20 5 CGBDRO CC(C)(O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279088451 393330129 /nfs/dbraw/zinc/33/01/29/393330129.db2.gz NESQZRRIGHDNNS-AWEZNQCLSA-N 1 0 292.379 3.068 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475151590 393378602 /nfs/dbraw/zinc/37/86/02/393378602.db2.gz QWSFYGCBQZPETJ-UPJWGTAASA-N 1 0 292.379 3.470 20 5 CGBDRO [NH3+]C1(CNc2c(Cl)cc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000420229303 393440225 /nfs/dbraw/zinc/44/02/25/393440225.db2.gz NPDGDNBDCZIMJF-UHFFFAOYSA-N 1 0 290.150 3.195 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582175 393487527 /nfs/dbraw/zinc/48/75/27/393487527.db2.gz ZVDPPTDTYQXJGJ-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592243 393490449 /nfs/dbraw/zinc/49/04/49/393490449.db2.gz SIJNFNWTQXSMJT-WFASDCNBSA-N 1 0 262.353 3.258 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000430225093 393543398 /nfs/dbraw/zinc/54/33/98/393543398.db2.gz LFFANFZWLFVHEK-TXEJJXNPSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC1CCC([NH+](C)C)CC1 ZINC000420632669 393512005 /nfs/dbraw/zinc/51/20/05/393512005.db2.gz XFVZGNCOTVGLFM-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488443710 393515589 /nfs/dbraw/zinc/51/55/89/393515589.db2.gz BTEQGSABYKIKTC-ZFWWWQNUSA-N 1 0 294.420 3.257 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000433082529 393684537 /nfs/dbraw/zinc/68/45/37/393684537.db2.gz LFSQHORDCJNGNX-QOZQQMKHSA-N 1 0 290.363 3.272 20 5 CGBDRO Cc1cc(N(C)[C@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000498885477 393786875 /nfs/dbraw/zinc/78/68/75/393786875.db2.gz YKXSPZPMJTUKIN-CYBMUJFWSA-N 1 0 291.395 3.070 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000449531334 393885656 /nfs/dbraw/zinc/88/56/56/393885656.db2.gz BLZQGVYAGOVUBU-TZMCWYRMSA-N 1 0 278.377 3.277 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000150891747 296514758 /nfs/dbraw/zinc/51/47/58/296514758.db2.gz CYYBJVQAGDEQBD-CQSZACIVSA-N 1 0 289.379 3.050 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000062051195 397637671 /nfs/dbraw/zinc/63/76/71/397637671.db2.gz FCAMSDPTSFCBHX-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000453361354 292246901 /nfs/dbraw/zinc/24/69/01/292246901.db2.gz AZFIXIOEWVFBHU-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000536178877 288475462 /nfs/dbraw/zinc/47/54/62/288475462.db2.gz JFTUBHKPESQUKB-IHRRRGAJSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccsc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037500181 286885905 /nfs/dbraw/zinc/88/59/05/286885905.db2.gz IZOSUQRUNYOVNW-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)cc(F)c2)cc1 ZINC000073649852 165078289 /nfs/dbraw/zinc/07/82/89/165078289.db2.gz XIOWGGBCULNCBE-UHFFFAOYSA-N 1 0 278.258 3.163 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080278318 165153235 /nfs/dbraw/zinc/15/32/35/165153235.db2.gz VSSZCTNXMHSLKN-ZDUSSCGKSA-N 1 0 291.376 3.335 20 5 CGBDRO CC[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000081777051 165165994 /nfs/dbraw/zinc/16/59/94/165165994.db2.gz VTQBJDBQONKGCX-SNVBAGLBSA-N 1 0 254.355 3.075 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000121409744 287198050 /nfs/dbraw/zinc/19/80/50/287198050.db2.gz NYLQROSSNDCGSO-WBMJQRKESA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]([NH2+]CCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000284237568 196011075 /nfs/dbraw/zinc/01/10/75/196011075.db2.gz VLBDCJUVNKUKLX-NSHDSACASA-N 1 0 254.305 3.385 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020123941 171005351 /nfs/dbraw/zinc/00/53/51/171005351.db2.gz IYRYVFLHNBWFTO-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1cc(NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000035277290 172097377 /nfs/dbraw/zinc/09/73/77/172097377.db2.gz CRIICMHATBIXCF-UHFFFAOYSA-N 1 0 279.384 3.434 20 5 CGBDRO CCOC1CC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000285629287 196349045 /nfs/dbraw/zinc/34/90/45/196349045.db2.gz NHLKDVAPOSCBGN-BZUNDVKYSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H](C)C[NH+]1CCCC1 ZINC000062075763 175661884 /nfs/dbraw/zinc/66/18/84/175661884.db2.gz HADWVQKGKMIRTF-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000068836550 175815758 /nfs/dbraw/zinc/81/57/58/175815758.db2.gz BKDXHQCAPAQMDB-OAHLLOKOSA-N 1 0 299.374 3.180 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000107681089 270050153 /nfs/dbraw/zinc/05/01/53/270050153.db2.gz MHLRPCHNLDSRRL-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290022799 274056985 /nfs/dbraw/zinc/05/69/85/274056985.db2.gz CLKWIOOXHNXAQA-ZETOZRRWSA-N 1 0 292.379 3.330 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277041572 274079341 /nfs/dbraw/zinc/07/93/41/274079341.db2.gz UBRWPGVEOUXOJZ-JSGCOSHPSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCF)CCCC2 ZINC000519118022 275038071 /nfs/dbraw/zinc/03/80/71/275038071.db2.gz XZLWUPVEBFLSKS-CQSZACIVSA-N 1 0 266.316 3.312 20 5 CGBDRO COCC1([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CC1 ZINC000518668362 277484968 /nfs/dbraw/zinc/48/49/68/277484968.db2.gz PWQXULOVGAZRQA-AWEZNQCLSA-N 1 0 290.363 3.086 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000397569617 288024315 /nfs/dbraw/zinc/02/43/15/288024315.db2.gz DEGWZXRTLOMCSL-AAEUAGOBSA-N 1 0 262.353 3.162 20 5 CGBDRO COc1ccc(C[NH2+][C@@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000398350753 288043124 /nfs/dbraw/zinc/04/31/24/288043124.db2.gz XGRMGSYWFSMVHG-HNNXBMFYSA-N 1 0 276.336 3.192 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346801871 288088190 /nfs/dbraw/zinc/08/81/90/288088190.db2.gz CNHHTOLAQIDWII-RCBQFDQVSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271878042 280341331 /nfs/dbraw/zinc/34/13/31/280341331.db2.gz OQNAJAMPBRADPU-DOMZBBRYSA-N 1 0 292.379 3.043 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C2CCCCC2)n1 ZINC000408289712 280377264 /nfs/dbraw/zinc/37/72/64/280377264.db2.gz IPCDNVUSLJEBPB-ZIAGYGMSSA-N 1 0 292.383 3.197 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000330734045 281020590 /nfs/dbraw/zinc/02/05/90/281020590.db2.gz UJNNCZOBFMMNJL-DZGCQCFKSA-N 1 0 292.379 3.465 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OC(C)C)CC1 ZINC000542703859 288767299 /nfs/dbraw/zinc/76/72/99/288767299.db2.gz ZWJHQGHOEBNJEW-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CO)CCCC1 ZINC000546017935 288913138 /nfs/dbraw/zinc/91/31/38/288913138.db2.gz VJAXPDWKKCXBEB-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc(F)c1 ZINC000554844795 289312722 /nfs/dbraw/zinc/31/27/22/289312722.db2.gz YOTAZWXQMPVNPE-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000559148441 289536831 /nfs/dbraw/zinc/53/68/31/289536831.db2.gz WFHCGXCSDVVQHC-QNWHQSFQSA-N 1 0 278.352 3.201 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000459764316 290048963 /nfs/dbraw/zinc/04/89/63/290048963.db2.gz CRDYDXWJHFAZJN-XCCSTKFXSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(C)(C)C ZINC000565088805 322059537 /nfs/dbraw/zinc/05/95/37/322059537.db2.gz ULOUEBXZHYPHBU-LLVKDONJSA-N 1 0 250.342 3.427 20 5 CGBDRO COC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000566992598 322145954 /nfs/dbraw/zinc/14/59/54/322145954.db2.gz KVFANAFPBJXWNI-LBPRGKRZSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ncc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])s1 ZINC000569118271 322235521 /nfs/dbraw/zinc/23/55/21/322235521.db2.gz PIGULLXCJKYXRR-ZDUSSCGKSA-N 1 0 289.360 3.137 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000570122936 322265542 /nfs/dbraw/zinc/26/55/42/322265542.db2.gz XVDPAZXMMQCMJU-SNVBAGLBSA-N 1 0 290.367 3.338 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000573908516 322412980 /nfs/dbraw/zinc/41/29/80/322412980.db2.gz UZRXQUNVUNNYPZ-GDLCADMTSA-N 1 0 260.337 3.434 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@H]4C[C@H]43)c2c1 ZINC000582509397 329098966 /nfs/dbraw/zinc/09/89/66/329098966.db2.gz BPFLGJMVACYXDI-PEYYIBSZSA-N 1 0 299.374 3.397 20 5 CGBDRO COc1ccc(C[NH2+]C(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000576776454 335246690 /nfs/dbraw/zinc/24/66/90/335246690.db2.gz MDQBQTMKHPVECI-UHFFFAOYSA-N 1 0 266.341 3.128 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177517611 335373506 /nfs/dbraw/zinc/37/35/06/335373506.db2.gz UXOWENHQWUFKPD-CHWSQXEVSA-N 1 0 260.337 3.217 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCc3cc(N)ccc32)cc1[N+](=O)[O-] ZINC000581558820 336102987 /nfs/dbraw/zinc/10/29/87/336102987.db2.gz BSQYKFJNRQGIBB-INIZCTEOSA-N 1 0 297.358 3.263 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000581926214 336169648 /nfs/dbraw/zinc/16/96/48/336169648.db2.gz UQUSSWCNKLXJBW-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191825054 500723299 /nfs/dbraw/zinc/72/32/99/500723299.db2.gz QHOPXOUCYGIIMD-NILFDRSVSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1C[C@H]1C ZINC000414115131 533870534 /nfs/dbraw/zinc/87/05/34/533870534.db2.gz UQUNMSFLBPTRGV-NRUUGDAUSA-N 1 0 282.771 3.425 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000356856616 533956352 /nfs/dbraw/zinc/95/63/52/533956352.db2.gz WHRJOXRUXHULST-HZSPNIEDSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000414220786 533955279 /nfs/dbraw/zinc/95/52/79/533955279.db2.gz CLCHUVOULGJRGL-DLOVCJGASA-N 1 0 280.393 3.448 20 5 CGBDRO CN(Cc1ccco1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746653510 572887374 /nfs/dbraw/zinc/88/73/74/572887374.db2.gz LEHMKSKBEMWNHQ-UHFFFAOYSA-N 1 0 280.711 3.473 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccs1 ZINC000449065528 534254244 /nfs/dbraw/zinc/25/42/44/534254244.db2.gz ZRCLGFIDYYJKGT-LBPRGKRZSA-N 1 0 290.388 3.420 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1F ZINC000449343297 534254572 /nfs/dbraw/zinc/25/45/72/534254572.db2.gz JGUFODSYGQFYAO-WCFLWFBJSA-N 1 0 266.316 3.006 20 5 CGBDRO CCC[C@@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000094721714 520772783 /nfs/dbraw/zinc/77/27/83/520772783.db2.gz QUWWDKXJUFCMKV-CQSZACIVSA-N 1 0 278.352 3.062 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094942067 520791345 /nfs/dbraw/zinc/79/13/45/520791345.db2.gz QRBAQLLKUVLIRR-IUODEOHRSA-N 1 0 280.368 3.187 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000162713387 524085121 /nfs/dbraw/zinc/08/51/21/524085121.db2.gz FDGFRTPOSRJYHO-GFCCVEGCSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H](C[N@H+](C)Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183923998 524572569 /nfs/dbraw/zinc/57/25/69/524572569.db2.gz RQKRNGPGDQKAPK-NSHDSACASA-N 1 0 291.376 3.287 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(CC2)C1 ZINC000449370699 527528985 /nfs/dbraw/zinc/52/89/85/527528985.db2.gz LUZNNXIWPFLLQR-KPKJPENVSA-N 1 0 258.321 3.094 20 5 CGBDRO CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447584768 527988402 /nfs/dbraw/zinc/98/84/02/527988402.db2.gz HGJRJHOIDPKZNP-STQMWFEESA-N 1 0 292.383 3.055 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348289 528000057 /nfs/dbraw/zinc/00/00/57/528000057.db2.gz LMLVPUOWUSVZNV-NEPJUHHUSA-N 1 0 266.341 3.059 20 5 CGBDRO CCCN(CC[NH+](CC)CC)Cc1ccccc1[N+](=O)[O-] ZINC000359602017 528077580 /nfs/dbraw/zinc/07/75/80/528077580.db2.gz PRTFMOVIDPZBNM-UHFFFAOYSA-N 1 0 293.411 3.149 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC[C@@H](C)CCO)cc1[N+](=O)[O-] ZINC000449357018 528100749 /nfs/dbraw/zinc/10/07/49/528100749.db2.gz JQAXQECJSUUXGF-CYBMUJFWSA-N 1 0 294.395 3.216 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424181293 528101056 /nfs/dbraw/zinc/10/10/56/528101056.db2.gz BTPUVJCTBFYSQW-CQSZACIVSA-N 1 0 260.337 3.360 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424332509 528597207 /nfs/dbraw/zinc/59/72/07/528597207.db2.gz WREMNCOANSYCKI-QMTHXVAHSA-N 1 0 276.336 3.197 20 5 CGBDRO CCOC[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449280690 528896984 /nfs/dbraw/zinc/89/69/84/528896984.db2.gz YGMRKQSNQIWOST-DZGCQCFKSA-N 1 0 294.395 3.177 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414301806 529201083 /nfs/dbraw/zinc/20/10/83/529201083.db2.gz TZAZZLXKBZUAIH-XHSDSOJGSA-N 1 0 294.395 3.431 20 5 CGBDRO CC1(C)CN(Cc2cc(F)ccc2[N+](=O)[O-])CCS1 ZINC000177509854 617932056 /nfs/dbraw/zinc/93/20/56/617932056.db2.gz QKTMUCLXMMJJOI-UHFFFAOYSA-N 1 0 284.356 3.061 20 5 CGBDRO COc1c(O)ccc(C[NH+]2CCCCCCC2)c1[N+](=O)[O-] ZINC000891457763 618226500 /nfs/dbraw/zinc/22/65/00/618226500.db2.gz YOCHTZXVSCUSFA-UHFFFAOYSA-N 1 0 294.351 3.075 20 5 CGBDRO COc1c(O)ccc(C[N@@H+]2CCCCC[C@H]2C)c1[N+](=O)[O-] ZINC000892037065 618500248 /nfs/dbraw/zinc/50/02/48/618500248.db2.gz VRAUGAYIROLPDF-LLVKDONJSA-N 1 0 294.351 3.074 20 5 CGBDRO CS[C@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235269261 618754840 /nfs/dbraw/zinc/75/48/40/618754840.db2.gz CXDWJJXSVCKETD-OCCSQVGLSA-N 1 0 280.393 3.011 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1F ZINC000313498087 619175251 /nfs/dbraw/zinc/17/52/51/619175251.db2.gz ISCBRNYEUXZZFE-BETUJISGSA-N 1 0 278.327 3.356 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313604152 619180230 /nfs/dbraw/zinc/18/02/30/619180230.db2.gz BSKQQYVCZIEFJI-JTQLQIEISA-N 1 0 278.283 3.048 20 5 CGBDRO C[NH+]1CCC(CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000054241212 620085693 /nfs/dbraw/zinc/08/56/93/620085693.db2.gz NUNVUMCDWJRWAZ-UHFFFAOYSA-N 1 0 283.759 3.002 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCCS1 ZINC000149940022 620218478 /nfs/dbraw/zinc/21/84/78/620218478.db2.gz OUIACEHWZDSGLP-LLVKDONJSA-N 1 0 286.784 3.233 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccccc2F)cc1[N+](=O)[O-] ZINC000035012074 620224039 /nfs/dbraw/zinc/22/40/39/620224039.db2.gz JTYLPNMFRQJIFU-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CSC1CC([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459329 620340031 /nfs/dbraw/zinc/34/00/31/620340031.db2.gz KHKLYGLDGNEEAL-VOMCLLRMSA-N 1 0 280.393 3.182 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CSC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464037 620340390 /nfs/dbraw/zinc/34/03/90/620340390.db2.gz JTUIANOJWYPPCM-WZRBSPASSA-N 1 0 280.393 3.039 20 5 CGBDRO CO[C@](C)(C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897464996 620340479 /nfs/dbraw/zinc/34/04/79/620340479.db2.gz QDAXOQIONKHJEB-BLLLJJGKSA-N 1 0 292.379 3.103 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)SC)cc([N+](=O)[O-])c1 ZINC000903104191 621577436 /nfs/dbraw/zinc/57/74/36/621577436.db2.gz DTGDJKVWQKMQFV-SNVBAGLBSA-N 1 0 298.408 3.396 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903186025 621612471 /nfs/dbraw/zinc/61/24/71/621612471.db2.gz NCDADHPWNRQQFN-SCVCMEIPSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287396 621670685 /nfs/dbraw/zinc/67/06/85/621670685.db2.gz OWUBCQCZDARMKL-OCCSQVGLSA-N 1 0 291.395 3.118 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC000903393993 621719299 /nfs/dbraw/zinc/71/92/99/621719299.db2.gz WYKDXBVZQZBVCG-KWBADKCTSA-N 1 0 296.392 3.002 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C/Cl ZINC000903443202 621754319 /nfs/dbraw/zinc/75/43/19/621754319.db2.gz DATWEBMSNYXNAB-YVGDHZEHSA-N 1 0 254.717 3.306 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000324173816 623686909 /nfs/dbraw/zinc/68/69/09/623686909.db2.gz OVMDVDCZHYEVJF-GFCCVEGCSA-N 1 0 252.289 3.012 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091099253 625815824 /nfs/dbraw/zinc/81/58/24/625815824.db2.gz VZSOHOTWAFVYJV-LBPRGKRZSA-N 1 0 286.372 3.307 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000091099254 625815924 /nfs/dbraw/zinc/81/59/24/625815924.db2.gz VZSOHOTWAFVYJV-GFCCVEGCSA-N 1 0 286.372 3.307 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000922844394 626056574 /nfs/dbraw/zinc/05/65/74/626056574.db2.gz WVVJSGZFUFSAET-PSASIEDQSA-N 1 0 272.395 3.030 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1 ZINC000922967387 626109833 /nfs/dbraw/zinc/10/98/33/626109833.db2.gz HUZWVVXPFCTCAW-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000923026519 626121711 /nfs/dbraw/zinc/12/17/11/626121711.db2.gz UJSLHSBJYJPUNO-KRWDZBQOSA-N 1 0 298.342 3.382 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1F ZINC000839679425 626777748 /nfs/dbraw/zinc/77/77/48/626777748.db2.gz GWJJDYNREVQVAH-ZDUSSCGKSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC[C@@H]1C ZINC000766273457 627311217 /nfs/dbraw/zinc/31/12/17/627311217.db2.gz PPHZYMSGNCOGLB-KBPBESRZSA-N 1 0 291.395 3.038 20 5 CGBDRO CCCCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000776025424 628159332 /nfs/dbraw/zinc/15/93/32/628159332.db2.gz VFACTSGQQFVCCY-AWEZNQCLSA-N 1 0 296.415 3.376 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275051 628187955 /nfs/dbraw/zinc/18/79/55/628187955.db2.gz FSHMPIRBJGLTHG-UHOFOFEASA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584711 628220879 /nfs/dbraw/zinc/22/08/79/628220879.db2.gz PDLVPLDOXOQZET-IOASZLSFSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783620450 628732214 /nfs/dbraw/zinc/73/22/14/628732214.db2.gz KAXLGMKEDHVNLH-LLVKDONJSA-N 1 0 299.802 3.068 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC=CO1 ZINC000786818011 628965428 /nfs/dbraw/zinc/96/54/28/628965428.db2.gz FBQVMVJMDACWKM-OVHOFWQVSA-N 1 0 288.347 3.280 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562748 629064999 /nfs/dbraw/zinc/06/49/99/629064999.db2.gz HZGJKRHARNLGRQ-AXFHLTTASA-N 1 0 265.357 3.262 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCCC1 ZINC000788608405 629069051 /nfs/dbraw/zinc/06/90/51/629069051.db2.gz NVWGQUICQJDCCI-MNOVXSKESA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@]1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCS1 ZINC000862247147 629329999 /nfs/dbraw/zinc/32/99/99/629329999.db2.gz XBYCNPZCNSKTTE-OAHLLOKOSA-N 1 0 292.404 3.239 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1ccc(C)c([N+](=O)[O-])c1)CCCC2 ZINC000865368975 630079462 /nfs/dbraw/zinc/07/94/62/630079462.db2.gz XTQRLDTYCRXBTB-UHFFFAOYSA-N 1 0 285.347 3.335 20 5 CGBDRO Cc1nn(C[NH+]2CCCCCCCC2)c(C)c1[N+](=O)[O-] ZINC000840133931 630637879 /nfs/dbraw/zinc/63/78/79/630637879.db2.gz OUWCDEGIDBRPSX-UHFFFAOYSA-N 1 0 280.372 3.022 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878373539 635479963 /nfs/dbraw/zinc/47/99/63/635479963.db2.gz NBQBLPBMHDEMHD-STQMWFEESA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000815593483 631802817 /nfs/dbraw/zinc/80/28/17/631802817.db2.gz NQXSVUIPEWYEAX-ZDUSSCGKSA-N 1 0 299.374 3.379 20 5 CGBDRO C[C@@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597754 631803264 /nfs/dbraw/zinc/80/32/64/631803264.db2.gz FGBQPCCJTWIVHF-LLVKDONJSA-N 1 0 289.379 3.408 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815623465 631807666 /nfs/dbraw/zinc/80/76/66/631807666.db2.gz YMLPDWIOWSZFJW-GVXVVHGQSA-N 1 0 277.368 3.264 20 5 CGBDRO CC1(C)CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819334759 632432859 /nfs/dbraw/zinc/43/28/59/632432859.db2.gz KHLMCJKERPANTC-DZGCQCFKSA-N 1 0 292.379 3.044 20 5 CGBDRO CO[C@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391713 632763006 /nfs/dbraw/zinc/76/30/06/632763006.db2.gz PQGVPODLXPSETE-AAEUAGOBSA-N 1 0 298.770 3.248 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)c(Cl)c1 ZINC000865859183 632923032 /nfs/dbraw/zinc/92/30/32/632923032.db2.gz PMNGKBRCOZRVGP-KGLIPLIRSA-N 1 0 296.754 3.049 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000866240905 633040453 /nfs/dbraw/zinc/04/04/53/633040453.db2.gz QCIBRJAFPHYIMI-SNVBAGLBSA-N 1 0 278.283 3.048 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1 ZINC000866282269 633064850 /nfs/dbraw/zinc/06/48/50/633064850.db2.gz HBTSCRJBLYNFJJ-ZWNOBZJWSA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@@H]1C ZINC000866381854 633113121 /nfs/dbraw/zinc/11/31/21/633113121.db2.gz QYYZZHUPSPSEOW-GIPNMCIBSA-N 1 0 298.383 3.149 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(C)F ZINC000866389820 633116888 /nfs/dbraw/zinc/11/68/88/633116888.db2.gz OYSJERFCQSXIAT-SNVBAGLBSA-N 1 0 286.322 3.393 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000866453164 633142590 /nfs/dbraw/zinc/14/25/90/633142590.db2.gz IUBGLTOQVYRFKR-KCPJHIHWSA-N 1 0 292.379 3.185 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000866505362 633166025 /nfs/dbraw/zinc/16/60/25/633166025.db2.gz YETXATOTTXYRAU-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540701 633184087 /nfs/dbraw/zinc/18/40/87/633184087.db2.gz RTTHQAIMKURVTK-HUUCEWRRSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866636840 633225496 /nfs/dbraw/zinc/22/54/96/633225496.db2.gz QFXLQXSCCLNEJB-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[NH+](CC)CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015995 633936851 /nfs/dbraw/zinc/93/68/51/633936851.db2.gz AYEZSFQHWADMBR-LBPRGKRZSA-N 1 0 297.374 3.116 20 5 CGBDRO C[C@H]([NH2+]CCc1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019409 633939590 /nfs/dbraw/zinc/93/95/90/633939590.db2.gz WLXDJCDPOVDJGZ-JTQLQIEISA-N 1 0 278.283 3.220 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831348112 633946009 /nfs/dbraw/zinc/94/60/09/633946009.db2.gz SSZWXRLYICOYQD-ZFWWWQNUSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040841 633961674 /nfs/dbraw/zinc/96/16/74/633961674.db2.gz CRJVNDBHKPDTII-ZJUUUORDSA-N 1 0 284.356 3.280 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064731 633987621 /nfs/dbraw/zinc/98/76/21/633987621.db2.gz LCJZKOIAYLUFPL-JTQLQIEISA-N 1 0 284.331 3.200 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000872066054 633988462 /nfs/dbraw/zinc/98/84/62/633988462.db2.gz JOUBBGHOGLNSSU-HUUCEWRRSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]([NH2+]CCCOC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872069420 633991073 /nfs/dbraw/zinc/99/10/73/633991073.db2.gz OCMWRHQRPMXNHF-QMMMGPOBSA-N 1 0 292.257 3.014 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077215 634000506 /nfs/dbraw/zinc/00/05/06/634000506.db2.gz CQSGBCCKKRVYBR-ZKYQVNSYSA-N 1 0 296.342 3.342 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000872079607 634002981 /nfs/dbraw/zinc/00/29/81/634002981.db2.gz JMAUKXOGDPCNRW-ITDIGPHOSA-N 1 0 298.358 3.180 20 5 CGBDRO COC1CCC([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872080325 634003928 /nfs/dbraw/zinc/00/39/28/634003928.db2.gz VXNCQBIRKWBEGF-VOMCLLRMSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081304 634005066 /nfs/dbraw/zinc/00/50/66/634005066.db2.gz GHBVXBXQYSUZGY-NGZCFLSTSA-N 1 0 284.356 3.279 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129834 634051016 /nfs/dbraw/zinc/05/10/16/634051016.db2.gz XJYPWFGVANELQT-YNEHKIRRSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129833 634051042 /nfs/dbraw/zinc/05/10/42/634051042.db2.gz XJYPWFGVANELQT-XQQFMLRXSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)n1 ZINC000873017191 634232044 /nfs/dbraw/zinc/23/20/44/634232044.db2.gz WXZGSTIBPWCHQX-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO COC1CC(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000873135295 634255143 /nfs/dbraw/zinc/25/51/43/634255143.db2.gz VCSAFVITOHZSRX-UHFFFAOYSA-N 1 0 292.379 3.116 20 5 CGBDRO Cc1ccc(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000873253164 634302593 /nfs/dbraw/zinc/30/25/93/634302593.db2.gz URGOHPCVPYSPIO-JKSUJKDBSA-N 1 0 297.358 3.138 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877459971 635045282 /nfs/dbraw/zinc/04/52/82/635045282.db2.gz PQEIFKZALVCRPG-VHSXEESVSA-N 1 0 275.308 3.014 20 5 CGBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000841893763 635248317 /nfs/dbraw/zinc/24/83/17/635248317.db2.gz ITCREACZCLBHKN-UHFFFAOYSA-N 1 0 286.759 3.107 20 5 CGBDRO CC1(C)CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000127133290 635519747 /nfs/dbraw/zinc/51/97/47/635519747.db2.gz VAKUFBQDXUSVBS-HIFRSBDPSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000878660160 635595438 /nfs/dbraw/zinc/59/54/38/635595438.db2.gz PUZHLUWZAHRMSQ-SWLSCSKDSA-N 1 0 290.363 3.205 20 5 CGBDRO CSC1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000879096062 635701141 /nfs/dbraw/zinc/70/11/41/635701141.db2.gz NJTMVASEXONRRU-UHFFFAOYSA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000880091736 635911338 /nfs/dbraw/zinc/91/13/38/635911338.db2.gz GFWCJHTUSLFVTD-DVZHBHJUSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000846041157 636136616 /nfs/dbraw/zinc/13/66/16/636136616.db2.gz ZBNNKEGKMKEQMY-OLZOCXBDSA-N 1 0 286.734 3.389 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000846959418 636294632 /nfs/dbraw/zinc/29/46/32/636294632.db2.gz IFXRVMQEBYZKGG-AWEZNQCLSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883256475 636625503 /nfs/dbraw/zinc/62/55/03/636625503.db2.gz YUKPESCRZMZDGY-SECBINFHSA-N 1 0 299.321 3.263 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000883269415 636640524 /nfs/dbraw/zinc/64/05/24/636640524.db2.gz JIWHYXPGAWUWGI-RCBQFDQVSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000133827715 636981440 /nfs/dbraw/zinc/98/14/40/636981440.db2.gz ARGQURAWQBPRTH-VIFPVBQESA-N 1 0 268.744 3.384 20 5 CGBDRO Cc1ccc(C[C@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886017058 637366134 /nfs/dbraw/zinc/36/61/34/637366134.db2.gz RDOXELXHGMQJEH-AWEZNQCLSA-N 1 0 299.374 3.361 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000886220287 637463542 /nfs/dbraw/zinc/46/35/42/637463542.db2.gz FYZTVZCVGQXCEA-IUIKQTSFSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886243030 637469239 /nfs/dbraw/zinc/46/92/39/637469239.db2.gz MLAVQOHOUWSNFE-ZDUSSCGKSA-N 1 0 263.341 3.048 20 5 CGBDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853697872 637894731 /nfs/dbraw/zinc/89/47/31/637894731.db2.gz WSMALMYTYAWTPT-LLVKDONJSA-N 1 0 299.321 3.063 20 5 CGBDRO Cc1c(CN[C@H](c2ccccc2)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000925659540 638559758 /nfs/dbraw/zinc/55/97/58/638559758.db2.gz WCYYGKCWNUHNLY-DYVFJYSZSA-N 1 0 299.374 3.081 20 5 CGBDRO CCC1([NH3+])CCN([C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000925756595 638599390 /nfs/dbraw/zinc/59/93/90/638599390.db2.gz MLLVBCLYVCBLLQ-CYBMUJFWSA-N 1 0 291.395 3.168 20 5 CGBDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926918721 638825205 /nfs/dbraw/zinc/82/52/05/638825205.db2.gz IUDAGRZBBJNIHH-DAXOMENPSA-N 1 0 290.363 3.205 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCSC[C@H]2C2CC2)cs1 ZINC000933916563 639505622 /nfs/dbraw/zinc/50/56/22/639505622.db2.gz SOJBSBPOOKZOOH-LBPRGKRZSA-N 1 0 298.433 3.374 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCSC[C@@H]2C2CC2)cs1 ZINC000933916561 639507048 /nfs/dbraw/zinc/50/70/48/639507048.db2.gz SOJBSBPOOKZOOH-GFCCVEGCSA-N 1 0 298.433 3.374 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCSC[C@@H]1C1CC1 ZINC000933919122 639508063 /nfs/dbraw/zinc/50/80/63/639508063.db2.gz YUHSDOYZKILXBU-OAHLLOKOSA-N 1 0 292.404 3.312 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000934007122 639522925 /nfs/dbraw/zinc/52/29/25/639522925.db2.gz VUFIJYDDQYRPSN-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000934010719 639525331 /nfs/dbraw/zinc/52/53/31/639525331.db2.gz FMJUPVYMTSXKQN-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO CCCCOCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439990 640606606 /nfs/dbraw/zinc/60/66/06/640606606.db2.gz IIBRDBLQYSYOLO-UHFFFAOYSA-N 1 0 286.759 3.155 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cc([N+](=O)[O-])ccn1 ZINC001158728514 805990511 /nfs/dbraw/zinc/99/05/11/805990511.db2.gz FDIMDAWCUSPNRF-CQSZACIVSA-N 1 0 298.346 3.230 20 5 CGBDRO Cc1ccc(Nc2ccccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001159734916 806163794 /nfs/dbraw/zinc/16/37/94/806163794.db2.gz IJRFTFXEIAGEGZ-UHFFFAOYSA-N 1 0 257.293 3.106 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)cc1 ZINC001159776183 806170635 /nfs/dbraw/zinc/17/06/35/806170635.db2.gz SSUVBNPTVXBNIK-ZDUSSCGKSA-N 1 0 283.331 3.415 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[C@@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001159833415 806184374 /nfs/dbraw/zinc/18/43/74/806184374.db2.gz XHHRLMLLEVEZSN-ZDUSSCGKSA-N 1 0 283.331 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH3+])cc1 ZINC001254534948 806444997 /nfs/dbraw/zinc/44/49/97/806444997.db2.gz FOCWVDHCJWKXKQ-ZDUSSCGKSA-N 1 0 299.374 3.139 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(F)(F)C1 ZINC001254533300 806445153 /nfs/dbraw/zinc/44/51/53/806445153.db2.gz ZXZNZCBXQSFLMO-ZYHUDNBSSA-N 1 0 284.306 3.303 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cscn1 ZINC001254534719 806445462 /nfs/dbraw/zinc/44/54/62/806445462.db2.gz BXFBINFKGXFTQG-QWRGUYRKSA-N 1 0 291.376 3.333 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557842 806449762 /nfs/dbraw/zinc/44/97/62/806449762.db2.gz CKAPWDMMXORJHY-ZFWWWQNUSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CC2)C1 ZINC001254552314 806450072 /nfs/dbraw/zinc/45/00/72/806450072.db2.gz KQLLEWSLXMWGQR-LBPRGKRZSA-N 1 0 260.337 3.012 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cncs1 ZINC001254565187 806451555 /nfs/dbraw/zinc/45/15/55/806451555.db2.gz NPHLMAOVCMFYFD-NSHDSACASA-N 1 0 291.376 3.114 20 5 CGBDRO C[C@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593253 806457137 /nfs/dbraw/zinc/45/71/37/806457137.db2.gz KOQWQRWTNHREJP-LRDDRELGSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]3CCC[C@@H]3C1)C2 ZINC001254594604 806456841 /nfs/dbraw/zinc/45/68/41/806456841.db2.gz RVJTUSLGICBUAG-DXCKQFNASA-N 1 0 286.375 3.184 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)sc1[N+](=O)[O-] ZINC001162308239 806550850 /nfs/dbraw/zinc/55/08/50/806550850.db2.gz SSTARWGFQMJIDL-VIFPVBQESA-N 1 0 271.386 3.107 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC001162476064 806594504 /nfs/dbraw/zinc/59/45/04/806594504.db2.gz KXENEAJYBVPUSG-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO CC(C)(F)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000698305224 799855193 /nfs/dbraw/zinc/85/51/93/799855193.db2.gz FGVBIAKPTJAVCD-UHFFFAOYSA-N 1 0 274.723 3.476 20 5 CGBDRO CN(CC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC001163570850 806784648 /nfs/dbraw/zinc/78/46/48/806784648.db2.gz ANWJQIASHCCELK-UHFFFAOYSA-N 1 0 297.786 3.170 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000704813894 799941474 /nfs/dbraw/zinc/94/14/74/799941474.db2.gz ITJMAKDISHUDOR-LBPRGKRZSA-N 1 0 280.393 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C[C@@H]3CC[C@@H](C3)C2)cc1 ZINC000711036121 800045344 /nfs/dbraw/zinc/04/53/44/800045344.db2.gz QUUKLILTKSDCQJ-WDNDVIMCSA-N 1 0 260.337 3.263 20 5 CGBDRO CC1(C)CCC[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000714348770 800119600 /nfs/dbraw/zinc/11/96/00/800119600.db2.gz DLFVASVBYTYTAE-AWEZNQCLSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001163721126 806807373 /nfs/dbraw/zinc/80/73/73/806807373.db2.gz GZLHRMVOCIBYQF-LBPRGKRZSA-N 1 0 295.358 3.266 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(C2CC2)CCC1 ZINC000717820332 800206223 /nfs/dbraw/zinc/20/62/23/800206223.db2.gz UYFYDPAHUSYCTK-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO C[C@H]1[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719599498 800244618 /nfs/dbraw/zinc/24/46/18/800244618.db2.gz JQUFRNKOEHHXCB-WCBMZHEXSA-N 1 0 285.294 3.037 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000720259564 800254676 /nfs/dbraw/zinc/25/46/76/800254676.db2.gz SMTOCIXEPPOUET-NWDGAFQWSA-N 1 0 280.368 3.367 20 5 CGBDRO CC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC000720917817 800272193 /nfs/dbraw/zinc/27/21/93/800272193.db2.gz FMGVASIWXAVENE-UHFFFAOYSA-N 1 0 284.306 3.162 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCCO1 ZINC000847081596 800508907 /nfs/dbraw/zinc/50/89/07/800508907.db2.gz RNUMYRHPULLJOV-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N(CCC[NH3+])C(C)C ZINC001164122788 806897193 /nfs/dbraw/zinc/89/71/93/806897193.db2.gz OFLFMVRWASIDFA-UHFFFAOYSA-N 1 0 279.384 3.084 20 5 CGBDRO C[C@@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001164146206 806901461 /nfs/dbraw/zinc/90/14/61/806901461.db2.gz QIZQOUXSZZSKOL-LLVKDONJSA-N 1 0 295.408 3.109 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001119375988 802656587 /nfs/dbraw/zinc/65/65/87/802656587.db2.gz VSXJFMIYEBHROY-CHWSQXEVSA-N 1 0 275.352 3.002 20 5 CGBDRO F[C@@H]1CC[NH2+]C[C@@H]1Nc1nc2ccccc2c2ccccc21 ZINC001168235015 807359546 /nfs/dbraw/zinc/35/95/46/807359546.db2.gz UTLLURQRHUNNLT-WBVHZDCISA-N 1 0 295.361 3.500 20 5 CGBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168956867 807541815 /nfs/dbraw/zinc/54/18/15/807541815.db2.gz GFWYMLKBCSZFCI-FVQBIDKESA-N 1 0 276.380 3.043 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168972875 807543803 /nfs/dbraw/zinc/54/38/03/807543803.db2.gz BWZQFIRYLNTICU-GMXABZIVSA-N 1 0 298.333 3.451 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC001168976484 807545216 /nfs/dbraw/zinc/54/52/16/807545216.db2.gz DBWBMKOAUUHUCG-SMDDNHRTSA-N 1 0 294.782 3.364 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C)o1 ZINC001168984441 807547005 /nfs/dbraw/zinc/54/70/05/807547005.db2.gz NXPVRCKJYUFGGJ-YNEHKIRRSA-N 1 0 266.341 3.074 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C1 ZINC001168992056 807547769 /nfs/dbraw/zinc/54/77/69/807547769.db2.gz JETUINTYSFIZRN-WFASDCNBSA-N 1 0 292.354 3.240 20 5 CGBDRO Cc1ccccc1CC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168991998 807548243 /nfs/dbraw/zinc/54/82/43/807548243.db2.gz IVNNHYPKVLWTEV-GOEBONIOSA-N 1 0 290.407 3.351 20 5 CGBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169000343 807548787 /nfs/dbraw/zinc/54/87/87/807548787.db2.gz XMNIOUQZVSULFF-ZNMIVQPWSA-N 1 0 276.380 3.399 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H](c2cccc(F)c2)C2CC2)C1 ZINC001168999047 807549025 /nfs/dbraw/zinc/54/90/25/807549025.db2.gz RFPHGDTYZYJRKT-RLCCDNCMSA-N 1 0 292.354 3.312 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007449 807551297 /nfs/dbraw/zinc/55/12/97/807551297.db2.gz NWCILOGBMVJJHI-IPYPFGDCSA-N 1 0 274.364 3.051 20 5 CGBDRO C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008657 807551535 /nfs/dbraw/zinc/55/15/35/807551535.db2.gz SUAPLHGCYNDSJJ-VNHYZAJKSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021868 807554024 /nfs/dbraw/zinc/55/40/24/807554024.db2.gz ASWRGDVIOMMHSX-BMFZPTHFSA-N 1 0 289.379 3.054 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169034189 807555969 /nfs/dbraw/zinc/55/59/69/807555969.db2.gz FWTMBBXHSVRGKP-DAXOMENPSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039932 807557515 /nfs/dbraw/zinc/55/75/15/807557515.db2.gz VYHKMYKJFFAKGX-JLVJUDLZSA-N 1 0 284.375 3.036 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCCCCCCC2)C1 ZINC001169047904 807558349 /nfs/dbraw/zinc/55/83/49/807558349.db2.gz SKSBMLOGVMMALY-ZIAGYGMSSA-N 1 0 254.374 3.088 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccn2C2CC2)c1 ZINC001262028404 807810042 /nfs/dbraw/zinc/81/00/42/807810042.db2.gz LIXFROLVWPYYIM-UHFFFAOYSA-N 1 0 285.347 3.064 20 5 CGBDRO CC[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355544 807827818 /nfs/dbraw/zinc/82/78/18/807827818.db2.gz JKGSYBMNVSGOAK-CHWSQXEVSA-N 1 0 292.379 3.266 20 5 CGBDRO C[C@@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906873 808475843 /nfs/dbraw/zinc/47/58/43/808475843.db2.gz ZDJQUYYCRAJDQF-DOMZBBRYSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3(CCC3)C1)CC2 ZINC001172904463 808476128 /nfs/dbraw/zinc/47/61/28/808476128.db2.gz NPWCZGQSEOLASC-HNNXBMFYSA-N 1 0 286.375 3.328 20 5 CGBDRO CC[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901056 808476225 /nfs/dbraw/zinc/47/62/25/808476225.db2.gz IZISUYYMINBOIT-FZMZJTMJSA-N 1 0 262.353 3.230 20 5 CGBDRO CCC(CC)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217357 808538362 /nfs/dbraw/zinc/53/83/62/808538362.db2.gz UMUCEBQICIIOKW-LLVKDONJSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCCCO1 ZINC001173214898 808538516 /nfs/dbraw/zinc/53/85/16/808538516.db2.gz RHYBLFVNAAIAFT-CJNGLKHVSA-N 1 0 292.379 3.075 20 5 CGBDRO CC(C)[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216647 808538613 /nfs/dbraw/zinc/53/86/13/808538613.db2.gz MNGWSFBHRXPVKT-NEPJUHHUSA-N 1 0 250.342 3.160 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1Cc2ccccc2C1 ZINC001173217497 808539034 /nfs/dbraw/zinc/53/90/34/808539034.db2.gz VRFMCEKORNROAE-CYBMUJFWSA-N 1 0 296.370 3.283 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ncccc21 ZINC001173220132 808540085 /nfs/dbraw/zinc/54/00/85/808540085.db2.gz UNWQLGZIWNMJDW-SJCJKPOMSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC001173226498 808541024 /nfs/dbraw/zinc/54/10/24/808541024.db2.gz MFCJULCRWFIWBS-CHWSQXEVSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC001173225964 808541981 /nfs/dbraw/zinc/54/19/81/808541981.db2.gz KJCHDWCOMAKSRX-CYBMUJFWSA-N 1 0 262.353 3.402 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001173233238 808542965 /nfs/dbraw/zinc/54/29/65/808542965.db2.gz UYWWPVIWZBKVSX-OSAQELSMSA-N 1 0 260.337 3.010 20 5 CGBDRO CC[C@H](CNc1cc(C)sc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184819833 810220601 /nfs/dbraw/zinc/22/06/01/810220601.db2.gz HDVMCOAYXKTGAF-LLVKDONJSA-N 1 0 283.397 3.251 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001186610933 810349512 /nfs/dbraw/zinc/34/95/12/810349512.db2.gz DGFGXPDVQZPQBS-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO Cc1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001187242877 810391625 /nfs/dbraw/zinc/39/16/25/810391625.db2.gz OVWZGTBGVRSLBL-CQSZACIVSA-N 1 0 289.379 3.332 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@H](c1ccc(Cl)cc1)C1CCCC1 ZINC001192781614 810820343 /nfs/dbraw/zinc/82/03/43/810820343.db2.gz ZIMGSAJYZYRTOD-AWEZNQCLSA-N 1 0 282.771 3.438 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC001195289374 811237575 /nfs/dbraw/zinc/23/75/75/811237575.db2.gz MAKVVOYLOQLAHS-SDDRHHMPSA-N 1 0 278.352 3.080 20 5 CGBDRO CC[C@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@H](CC)O1 ZINC001195298703 811238762 /nfs/dbraw/zinc/23/87/62/811238762.db2.gz HHXDDMGXMHQQPH-GJZGRUSLSA-N 1 0 292.379 3.293 20 5 CGBDRO O=c1oc2cc(O[C@@H]3CCC[NH2+]C3)ccc2c2ccccc21 ZINC001217959972 816017661 /nfs/dbraw/zinc/01/76/61/816017661.db2.gz JNSSAFREDPSUBC-CYBMUJFWSA-N 1 0 295.338 3.077 20 5 CGBDRO C[C@@H](Oc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH2+]CC1 ZINC001218002345 816044496 /nfs/dbraw/zinc/04/44/96/816044496.db2.gz FGQLMHHOVZSJOJ-SECBINFHSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1Cl ZINC001218006920 816048988 /nfs/dbraw/zinc/04/89/88/816048988.db2.gz UFTCYYNKJNGQLF-JTQLQIEISA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001218028973 816063839 /nfs/dbraw/zinc/06/38/39/816063839.db2.gz AFMFDVXJTUTNGB-GXSJLCMTSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001218028974 816063845 /nfs/dbraw/zinc/06/38/45/816063845.db2.gz AFMFDVXJTUTNGB-KOLCDFICSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218046746 816072883 /nfs/dbraw/zinc/07/28/83/816072883.db2.gz VASAGFMOYDIXQY-SVRRBLITSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@H]1C[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218048597 816074521 /nfs/dbraw/zinc/07/45/21/816074521.db2.gz DNBPYPFXKNZHES-AAEUAGOBSA-N 1 0 292.379 3.412 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218054079 816076947 /nfs/dbraw/zinc/07/69/47/816076947.db2.gz WQHOPBUDJUNOIH-MFKMUULPSA-N 1 0 278.352 3.039 20 5 CGBDRO C[C@H]1C[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056556 816079234 /nfs/dbraw/zinc/07/92/34/816079234.db2.gz OXZQZLCYAXQKJL-WCQYABFASA-N 1 0 286.331 3.267 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218066600 816083976 /nfs/dbraw/zinc/08/39/76/816083976.db2.gz MGEOJKZQDLQDHF-GJZGRUSLSA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218099989 816099080 /nfs/dbraw/zinc/09/90/80/816099080.db2.gz ZJEMEFDELNOZMX-KBPBESRZSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(OC2CC3(C2)CC[NH2+]CC3)cc(C)c1[N+](=O)[O-] ZINC001218104911 816100418 /nfs/dbraw/zinc/10/04/18/816100418.db2.gz UJOXUXOTKZAITJ-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145203 816113699 /nfs/dbraw/zinc/11/36/99/816113699.db2.gz LQXLEOYIWMWEDE-JFGNBEQYSA-N 1 0 296.754 3.015 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1C=CC[NH2+]C1 ZINC001218331550 816170028 /nfs/dbraw/zinc/17/00/28/816170028.db2.gz RUXCDTSUDCGGSR-HNNXBMFYSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C[NH2+]1 ZINC001218391720 816187281 /nfs/dbraw/zinc/18/72/81/816187281.db2.gz GKYXYULCFUFLPX-NEPJUHHUSA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C[NH2+]1 ZINC001218391723 816188020 /nfs/dbraw/zinc/18/80/20/816188020.db2.gz GKYXYULCFUFLPX-RYUDHWBXSA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001218394664 816189913 /nfs/dbraw/zinc/18/99/13/816189913.db2.gz YZFGNHKJXFGOKH-BZNIZROVSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@H]1CC[C@H](Oc2ccc3nc4ccccc4nc3c2)C[NH2+]1 ZINC001218400328 816193359 /nfs/dbraw/zinc/19/33/59/816193359.db2.gz DHHQYINQCNZVEK-JSGCOSHPSA-N 1 0 293.370 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)c2ccccc21 ZINC001218475034 816232148 /nfs/dbraw/zinc/23/21/48/816232148.db2.gz XSRGOMKMFKMUAI-FABXCBLPSA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1Cl ZINC001218478152 816234886 /nfs/dbraw/zinc/23/48/86/816234886.db2.gz WCZKUNSZORIWKZ-JTQLQIEISA-N 1 0 298.770 3.466 20 5 CGBDRO Cc1c(O[C@@H]2C[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC001218484041 816237774 /nfs/dbraw/zinc/23/77/74/816237774.db2.gz FEVMDHMUBKIIDS-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1ccc(O[C@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001218486705 816241826 /nfs/dbraw/zinc/24/18/26/816241826.db2.gz FLWZICKAQIOORK-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1cccc2ccccc21 ZINC001222769923 816514904 /nfs/dbraw/zinc/51/49/04/816514904.db2.gz MGAMTDDZMQAKHE-CQSZACIVSA-N 1 0 258.385 3.451 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc(F)c([N+](=O)[O-])c2)CC1 ZINC001225385939 817036687 /nfs/dbraw/zinc/03/66/87/817036687.db2.gz VAAJMPJTFVMZKE-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(OC2CC[NH+](C(C)C)CC2)c1 ZINC001225683021 817140771 /nfs/dbraw/zinc/14/07/71/817140771.db2.gz PCBULSODPRBBDT-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO CC(=O)c1cc(Cl)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225745662 817165251 /nfs/dbraw/zinc/16/52/51/817165251.db2.gz LSPPWWWGEYCWRY-SNVBAGLBSA-N 1 0 270.780 3.016 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225789187 817179848 /nfs/dbraw/zinc/17/98/48/817179848.db2.gz RAOVTTRPIBJHBB-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)ccc(Cl)c1F ZINC001225903260 817211569 /nfs/dbraw/zinc/21/15/69/817211569.db2.gz BRTZFVPTLLTGST-MRVPVSSYSA-N 1 0 264.723 3.092 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1OC(F)(F)F ZINC001225946059 817226901 /nfs/dbraw/zinc/22/69/01/817226901.db2.gz HDBVFHFVEZOISK-SNVBAGLBSA-N 1 0 278.294 3.059 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC001226843134 817481831 /nfs/dbraw/zinc/48/18/31/817481831.db2.gz GKKKWGUDBYDCGR-CQSZACIVSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001227214369 817594361 /nfs/dbraw/zinc/59/43/61/817594361.db2.gz KUHYPSQLAHEUFK-LBPRGKRZSA-N 1 0 289.355 3.222 20 5 CGBDRO C[NH+]1C(C)(C)CC(Oc2cncc([N+](=O)[O-])c2)CC1(C)C ZINC001227988171 817774985 /nfs/dbraw/zinc/77/49/85/817774985.db2.gz PVGQMNBKRLAQHW-UHFFFAOYSA-N 1 0 293.367 3.020 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001228001903 817779395 /nfs/dbraw/zinc/77/93/95/817779395.db2.gz FEJJXSHOBNTLSS-JGPRNRPPSA-N 1 0 296.754 3.252 20 5 CGBDRO C[NH+](C)C1CCC(Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228257105 817853397 /nfs/dbraw/zinc/85/33/97/817853397.db2.gz FTQYMFCIPHBDBL-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001228570298 817940333 /nfs/dbraw/zinc/94/03/33/817940333.db2.gz BFVSXALRUUUTMY-OAHLLOKOSA-N 1 0 292.379 3.463 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1ccc2nc3ccccc3nc2c1 ZINC001228741011 817995502 /nfs/dbraw/zinc/99/55/02/817995502.db2.gz NYDWDAJCYQZHHR-LBPRGKRZSA-N 1 0 281.359 3.112 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)ccc2ccccc21 ZINC001231232398 818063202 /nfs/dbraw/zinc/06/32/02/818063202.db2.gz VOEVDRSYQGWKBU-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218872 818282715 /nfs/dbraw/zinc/28/27/15/818282715.db2.gz NQOFWOVHSQIWOT-INIZCTEOSA-N 1 0 293.370 3.004 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871808 818941894 /nfs/dbraw/zinc/94/18/94/818941894.db2.gz OBVDFMGBNDLBER-CQSZACIVSA-N 1 0 292.379 3.383 20 5 CGBDRO [NH3+]Cc1cncc(-c2ccnc3c2ccc2cccnc23)c1 ZINC001239806687 820621240 /nfs/dbraw/zinc/62/12/40/820621240.db2.gz GXIQMIWYFNGONG-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO C[N+](C)(C)CCCO[C@H]1CCCc2c(Cl)ccnc21 ZINC001224621048 927438546 /nfs/dbraw/zinc/43/85/46/927438546.db2.gz JLUKYGRFEVRNEC-AWEZNQCLSA-N 1 0 283.823 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCCC(C)C ZINC001461114202 937564503 /nfs/dbraw/zinc/56/45/03/937564503.db2.gz XEPPQJOJYBANFT-UHFFFAOYSA-N 1 0 294.395 3.364 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001229375922 932142426 /nfs/dbraw/zinc/14/24/26/932142426.db2.gz BPKNHGGOQWQMFL-ZSBIGDGJSA-N 1 0 296.754 3.252 20 5 CGBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)cc1C(C)(C)C ZINC001229530396 932167757 /nfs/dbraw/zinc/16/77/57/932167757.db2.gz OAEUXLJZOKKUAP-CYBMUJFWSA-N 1 0 280.432 3.466 20 5 CGBDRO O=[N+]([O-])c1c(O[C@H]2C[NH+]3CCC2CC3)ccc2ccccc21 ZINC001230626662 932599755 /nfs/dbraw/zinc/59/97/55/932599755.db2.gz POSABHNVCCWSCO-INIZCTEOSA-N 1 0 298.342 3.221 20 5 CGBDRO Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)c(F)cc1[N+](=O)[O-] ZINC001306931461 932896560 /nfs/dbraw/zinc/89/65/60/932896560.db2.gz XDTDXSQKFCKLMO-LLVKDONJSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC23CC(C)(C2)OC3)cc1[N+](=O)[O-] ZINC001307617390 932977120 /nfs/dbraw/zinc/97/71/20/932977120.db2.gz QYTXWOSDYBDGRN-JQRITLKVSA-N 1 0 290.363 3.123 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC2CCOCC2)cc1[N+](=O)[O-] ZINC001308238784 933078964 /nfs/dbraw/zinc/07/89/64/933078964.db2.gz VSGWJILKQFKXLX-UHFFFAOYSA-N 1 0 292.379 3.234 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)cn1 ZINC001308448775 933112874 /nfs/dbraw/zinc/11/28/74/933112874.db2.gz OJNHBBKHEUKBQJ-ZSOIEALJSA-N 1 0 297.358 3.491 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC001324061838 934455038 /nfs/dbraw/zinc/45/50/38/934455038.db2.gz UBLNIBWZSKKANJ-IOASZLSFSA-N 1 0 290.363 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001324459742 934507768 /nfs/dbraw/zinc/50/77/68/934507768.db2.gz MCIQBQFRLIANAR-STQMWFEESA-N 1 0 290.363 3.313 20 5 CGBDRO Cc1cc(NCC2(C[NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC001472752829 937782846 /nfs/dbraw/zinc/78/28/46/937782846.db2.gz MKYGFLKFIZMMPI-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC001472775716 937783405 /nfs/dbraw/zinc/78/34/05/937783405.db2.gz FLMNWEGSRSKDIN-AWEZNQCLSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])s1 ZINC001472833340 937786242 /nfs/dbraw/zinc/78/62/42/937786242.db2.gz XWVAYCWZAITFQD-VXGBXAGGSA-N 1 0 295.408 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cncs2)cc1 ZINC001474032694 937836927 /nfs/dbraw/zinc/83/69/27/937836927.db2.gz RNRIKQYFZUBIFX-UHFFFAOYSA-N 1 0 291.376 3.164 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001559769407 938235265 /nfs/dbraw/zinc/23/52/65/938235265.db2.gz OCGNKFNXZLRLPX-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC001559913672 938238873 /nfs/dbraw/zinc/23/88/73/938238873.db2.gz RHYQLTXUUSTXLK-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H]([NH2+]Cc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000337711683 214229350 /nfs/dbraw/zinc/22/93/50/214229350.db2.gz GZJXTLXLSCKTSF-LBPRGKRZSA-N 1 0 296.330 3.093 20 5 CGBDRO O=[N+]([O-])c1cccc(SCCC[NH+]2CCCC2)c1 ZINC000337938240 214321603 /nfs/dbraw/zinc/32/16/03/214321603.db2.gz RXYMGHMCYQVJMZ-UHFFFAOYSA-N 1 0 266.366 3.173 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000126154925 187220667 /nfs/dbraw/zinc/22/06/67/187220667.db2.gz VFPGPZCFFADWAU-CHWSQXEVSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000126155151 187220905 /nfs/dbraw/zinc/22/09/05/187220905.db2.gz VFPGPZCFFADWAU-OLZOCXBDSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414285640 529652103 /nfs/dbraw/zinc/65/21/03/529652103.db2.gz BLZMGMFOTSZONL-DUVNUKRYSA-N 1 0 294.395 3.349 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000426567526 529820981 /nfs/dbraw/zinc/82/09/81/529820981.db2.gz WJBQWLZUIFLFGN-IQCBXXCUSA-N 1 0 260.337 3.338 20 5 CGBDRO C[NH+](C)CC1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000128095195 187351347 /nfs/dbraw/zinc/35/13/47/187351347.db2.gz XKYIPCHKSGALGW-UHFFFAOYSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCSC ZINC000592529320 346997426 /nfs/dbraw/zinc/99/74/26/346997426.db2.gz IVKRBNSODOXBER-SOFGYWHQSA-N 1 0 280.393 3.293 20 5 CGBDRO CC(C)C[N@H+](C)CCCNc1sccc1[N+](=O)[O-] ZINC000593480201 347083792 /nfs/dbraw/zinc/08/37/92/347083792.db2.gz PCAFMJAVYSFHMN-UHFFFAOYSA-N 1 0 271.386 3.046 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000037775569 344952472 /nfs/dbraw/zinc/95/24/72/344952472.db2.gz QFZBAXFUUWXGCH-NSHDSACASA-N 1 0 272.304 3.151 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672589 344965148 /nfs/dbraw/zinc/96/51/48/344965148.db2.gz PGPOFPIAVZVFAK-ZBFHGGJFSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000037565979 344951337 /nfs/dbraw/zinc/95/13/37/344951337.db2.gz XBWLWCOLDBVNLK-HNNXBMFYSA-N 1 0 282.343 3.333 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccsc2)cc1 ZINC000049181001 345072093 /nfs/dbraw/zinc/07/20/93/345072093.db2.gz TVCFYFIYZKYQRI-UHFFFAOYSA-N 1 0 276.361 3.031 20 5 CGBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000051281558 345088621 /nfs/dbraw/zinc/08/86/21/345088621.db2.gz PMNPZBUSQMMYCX-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090800821 534993514 /nfs/dbraw/zinc/99/35/14/534993514.db2.gz BWFBUXMCMVXFFI-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOC(C)(C)C ZINC000067716259 345329749 /nfs/dbraw/zinc/32/97/49/345329749.db2.gz RWSQEVFFQPEVLG-LBPRGKRZSA-N 1 0 280.368 3.403 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(O)c1 ZINC000080920328 345689059 /nfs/dbraw/zinc/68/90/59/345689059.db2.gz YXHLLRXKRLQLKC-GFCCVEGCSA-N 1 0 286.331 3.493 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083216323 345725222 /nfs/dbraw/zinc/72/52/22/345725222.db2.gz BKQVAJNEUBEWFC-MNOVXSKESA-N 1 0 289.335 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1 ZINC000091661073 345819888 /nfs/dbraw/zinc/81/98/88/345819888.db2.gz NZRWYTYTYDJNMV-OAHLLOKOSA-N 1 0 283.331 3.157 20 5 CGBDRO CSCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129598947 346050936 /nfs/dbraw/zinc/05/09/36/346050936.db2.gz HWYLNFCHVUZXBP-JSGCOSHPSA-N 1 0 294.420 3.259 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1ccccc1[N+](=O)[O-])CCCC2 ZINC000130545431 346058484 /nfs/dbraw/zinc/05/84/84/346058484.db2.gz CBAHQXFZRIXSRP-UHFFFAOYSA-N 1 0 271.320 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCCS2)cc1 ZINC000158240510 346163949 /nfs/dbraw/zinc/16/39/49/346163949.db2.gz GASPJKPVXYARNM-CQSZACIVSA-N 1 0 280.393 3.013 20 5 CGBDRO CCSCC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000160145421 346170006 /nfs/dbraw/zinc/17/00/06/346170006.db2.gz VWSHINKFKPADIP-GFCCVEGCSA-N 1 0 282.409 3.259 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C2CC=CC2)cc1[N+](=O)[O-] ZINC000154246334 346148028 /nfs/dbraw/zinc/14/80/28/346148028.db2.gz BJTPJLRLTTULFW-LLVKDONJSA-N 1 0 276.336 3.363 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000220249900 346295630 /nfs/dbraw/zinc/29/56/30/346295630.db2.gz SKPMIVGTOQXPNT-JTQLQIEISA-N 1 0 285.775 3.390 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000311987305 346475491 /nfs/dbraw/zinc/47/54/91/346475491.db2.gz DYIFFTHNSJRGHV-GXSJLCMTSA-N 1 0 270.279 3.433 20 5 CGBDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000402065312 346593373 /nfs/dbraw/zinc/59/33/73/346593373.db2.gz GYRUYGBSLBFRSP-QWHCGFSZSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000584719120 346709577 /nfs/dbraw/zinc/70/95/77/346709577.db2.gz BAQZLMJSWYEMDS-OLZOCXBDSA-N 1 0 266.316 3.274 20 5 CGBDRO CC[C@@H]([NH2+]CCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593719441 347107808 /nfs/dbraw/zinc/10/78/08/347107808.db2.gz XWNIIBXTGRULDF-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594045271 347144068 /nfs/dbraw/zinc/14/40/68/347144068.db2.gz UWLSHXHRIKPPGB-VXGBXAGGSA-N 1 0 284.381 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)s1 ZINC000594604078 347201155 /nfs/dbraw/zinc/20/11/55/347201155.db2.gz YAOWESYNNZXEAH-GHMZBOCLSA-N 1 0 281.381 3.085 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594514917 347185789 /nfs/dbraw/zinc/18/57/89/347185789.db2.gz BPZLYLZYCLYFHA-RISCZKNCSA-N 1 0 290.363 3.129 20 5 CGBDRO CC1(C)OCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594995244 347252241 /nfs/dbraw/zinc/25/22/41/347252241.db2.gz LNLJFSSNNZYVOD-DYLGSBMWSA-N 1 0 290.363 3.013 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1c(F)cccc1[N+](=O)[O-])CCCC2 ZINC000594897221 347223790 /nfs/dbraw/zinc/22/37/90/347223790.db2.gz HCNGSDNIXJLEPB-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000594952647 347239180 /nfs/dbraw/zinc/23/91/80/347239180.db2.gz QMGNELSWNGRIMJ-VZFYUFDISA-N 1 0 258.321 3.140 20 5 CGBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000594968177 347244472 /nfs/dbraw/zinc/24/44/72/347244472.db2.gz VNFQAQHDBUZWHJ-UHFFFAOYSA-N 1 0 294.395 3.262 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000594974830 347246099 /nfs/dbraw/zinc/24/60/99/347246099.db2.gz KBZYIIKTRRMMCM-SUNKGSAMSA-N 1 0 278.327 3.260 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(F)F ZINC000594976329 347247038 /nfs/dbraw/zinc/24/70/38/347247038.db2.gz AAABEPKRERYFKI-JTQLQIEISA-N 1 0 276.308 3.181 20 5 CGBDRO C[C@@]1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594985419 347249479 /nfs/dbraw/zinc/24/94/79/347249479.db2.gz MFVDWCJNDNPLGM-AGLBCWCQSA-N 1 0 282.290 3.243 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595291462 347287577 /nfs/dbraw/zinc/28/75/77/347287577.db2.gz YUTZRMGBSISRQL-UBSAEIQESA-N 1 0 260.337 3.073 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000595011326 347256529 /nfs/dbraw/zinc/25/65/29/347256529.db2.gz CQOCTJHIPBJQCQ-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO CCOC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000595013542 347257106 /nfs/dbraw/zinc/25/71/06/347257106.db2.gz JPCFSBVINIRMJJ-UHFFFAOYSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595015103 347257564 /nfs/dbraw/zinc/25/75/64/347257564.db2.gz YGGCRBXAZFLGCC-JTQLQIEISA-N 1 0 286.322 3.407 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1CC1 ZINC000595024648 347260095 /nfs/dbraw/zinc/26/00/95/347260095.db2.gz BJQIGXBHJLQIER-SNVBAGLBSA-N 1 0 264.325 3.054 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595026724 347261289 /nfs/dbraw/zinc/26/12/89/347261289.db2.gz OPGNHYDDTXWRCB-QWRGUYRKSA-N 1 0 298.408 3.396 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C)CC1 ZINC000595027589 347261957 /nfs/dbraw/zinc/26/19/57/347261957.db2.gz QJXCUFDFQSBJNW-JTQLQIEISA-N 1 0 264.325 3.054 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042243 347267332 /nfs/dbraw/zinc/26/73/32/347267332.db2.gz RMDJFZRKOLDOSH-TUAOUCFPSA-N 1 0 278.352 3.300 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCSC(C)C ZINC000595050829 347270325 /nfs/dbraw/zinc/27/03/25/347270325.db2.gz OHZLQCMEVZRTLK-NSHDSACASA-N 1 0 298.408 3.396 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595074347 347277285 /nfs/dbraw/zinc/27/72/85/347277285.db2.gz QUAHFHVURWLIEK-INIZCTEOSA-N 1 0 297.358 3.118 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccoc1 ZINC000595087692 347279925 /nfs/dbraw/zinc/27/99/25/347279925.db2.gz ODZOVVBOVNMXMR-LLVKDONJSA-N 1 0 290.319 3.090 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779709 347355460 /nfs/dbraw/zinc/35/54/60/347355460.db2.gz GMQQQINCAGBPNH-FRRDWIJNSA-N 1 0 278.352 3.155 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595452428 347305889 /nfs/dbraw/zinc/30/58/89/347305889.db2.gz LBVHURRLNGIZSP-ZDUSSCGKSA-N 1 0 266.316 3.402 20 5 CGBDRO COc1cc(C[NH2+]C2(CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000595829934 347362088 /nfs/dbraw/zinc/36/20/88/347362088.db2.gz AZTVTJATGJNBTO-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000595856282 347368117 /nfs/dbraw/zinc/36/81/17/347368117.db2.gz AGYRMFZJMYWKTQ-PHTAMDTFSA-N 1 0 260.337 3.358 20 5 CGBDRO Cc1c(C[N@H+](C)CC2=CCSC2)cccc1[N+](=O)[O-] ZINC000595895759 347370982 /nfs/dbraw/zinc/37/09/82/347370982.db2.gz UTQASRBMJLZVTF-UHFFFAOYSA-N 1 0 278.377 3.008 20 5 CGBDRO COc1cc(C[N@H+](C)C[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000595910231 347371742 /nfs/dbraw/zinc/37/17/42/347371742.db2.gz RXPYYYXUKWXHFV-GFCCVEGCSA-N 1 0 278.352 3.081 20 5 CGBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CC1(C)C ZINC000595913449 347372703 /nfs/dbraw/zinc/37/27/03/347372703.db2.gz UKLYDOCGSUYOOS-JTQLQIEISA-N 1 0 254.355 3.134 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157012 347392040 /nfs/dbraw/zinc/39/20/40/347392040.db2.gz WKYFBRVAPQJIJC-WCBMZHEXSA-N 1 0 281.381 3.002 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000128517122 187374987 /nfs/dbraw/zinc/37/49/87/187374987.db2.gz DAGWZMWGEULSLU-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000597227004 347557568 /nfs/dbraw/zinc/55/75/68/347557568.db2.gz ZEZAENGJOONHEY-RKWPFYGESA-N 1 0 290.363 3.107 20 5 CGBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC000598990462 347704345 /nfs/dbraw/zinc/70/43/45/347704345.db2.gz FIPHPDKUBZYYAX-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OCC ZINC000598989245 347704409 /nfs/dbraw/zinc/70/44/09/347704409.db2.gz FBMOVBAYAMDOKA-HNNXBMFYSA-N 1 0 280.368 3.198 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599671692 347763035 /nfs/dbraw/zinc/76/30/35/347763035.db2.gz RBOOEPLSMFHDMZ-BBRMVZONSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599553523 347754460 /nfs/dbraw/zinc/75/44/60/347754460.db2.gz YBJMEAAFIWKJMF-OLZOCXBDSA-N 1 0 296.367 3.204 20 5 CGBDRO C[C@@H]1CC(F)(F)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000599622441 347758717 /nfs/dbraw/zinc/75/87/17/347758717.db2.gz IKSHWEAKBBHMCS-MRVPVSSYSA-N 1 0 276.308 3.276 20 5 CGBDRO CC[NH+](CC)CCSc1ccsc1[N+](=O)[O-] ZINC000601120581 347871486 /nfs/dbraw/zinc/87/14/86/347871486.db2.gz LHMAVGQSOLXHFP-UHFFFAOYSA-N 1 0 260.384 3.090 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCC[C@@H]2CCO2)C2CC2)c1 ZINC000602441722 347958909 /nfs/dbraw/zinc/95/89/09/347958909.db2.gz YATRQURNKGTLLY-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO CCCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602505965 347972366 /nfs/dbraw/zinc/97/23/66/347972366.db2.gz QVEJYGYSPHMLBW-UHFFFAOYSA-N 1 0 263.297 3.016 20 5 CGBDRO CC(C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511077 347972797 /nfs/dbraw/zinc/97/27/97/347972797.db2.gz LYEPTDUXSPHEDK-UHFFFAOYSA-N 1 0 277.324 3.262 20 5 CGBDRO CC[C@@H](CC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602614827 347994773 /nfs/dbraw/zinc/99/47/73/347994773.db2.gz FHTODQRZVAMCNR-NSHDSACASA-N 1 0 290.285 3.458 20 5 CGBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647495 348000539 /nfs/dbraw/zinc/00/05/39/348000539.db2.gz LDAAGZVBXXZMNB-QWRGUYRKSA-N 1 0 289.335 3.262 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ccc(O)cc32)cc1 ZINC000602717732 348016640 /nfs/dbraw/zinc/01/66/40/348016640.db2.gz NUPCFSWQSCLWHA-KRWDZBQOSA-N 1 0 298.342 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@]34C[C@H]3CCCC4)nc2c1 ZINC000602733153 348020994 /nfs/dbraw/zinc/02/09/94/348020994.db2.gz VFEBGZFZAPXUEP-MEBBXXQBSA-N 1 0 287.319 3.158 20 5 CGBDRO CSC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602920625 348044528 /nfs/dbraw/zinc/04/45/28/348044528.db2.gz XHNYRULVXQBOKZ-LLVKDONJSA-N 1 0 280.393 3.483 20 5 CGBDRO CCCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000603873841 348101262 /nfs/dbraw/zinc/10/12/62/348101262.db2.gz CSKUSZGRMQBPTA-UHFFFAOYSA-N 1 0 262.353 3.402 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccsc1 ZINC000604432620 348120479 /nfs/dbraw/zinc/12/04/79/348120479.db2.gz DCKBLSMUNBTVHF-NSHDSACASA-N 1 0 297.405 3.433 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610953941 348411278 /nfs/dbraw/zinc/41/12/78/348411278.db2.gz HOLVKPCKUZLHAN-RWMBFGLXSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582305 348391485 /nfs/dbraw/zinc/39/14/85/348391485.db2.gz GJYDGSOMJMVVHE-GHMZBOCLSA-N 1 0 289.335 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1 ZINC000610682721 348396199 /nfs/dbraw/zinc/39/61/99/348396199.db2.gz NMRUPRUCUFLZHO-OKILXGFUSA-N 1 0 290.363 3.096 20 5 CGBDRO CCC1(O)CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000611327492 348438050 /nfs/dbraw/zinc/43/80/50/348438050.db2.gz FRDASIKTKXWVEG-XEBKBJJBSA-N 1 0 292.379 3.329 20 5 CGBDRO Cc1c(C[NH+]2CCC3(CC3)CC2)cccc1[N+](=O)[O-] ZINC000611177232 348426090 /nfs/dbraw/zinc/42/60/90/348426090.db2.gz BKKVTXODFXBSHK-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc3ccccc3[nH]2)cc1 ZINC000618967119 349188520 /nfs/dbraw/zinc/18/85/20/349188520.db2.gz PZBWRZPYERIPSS-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123678763 187104098 /nfs/dbraw/zinc/10/40/98/187104098.db2.gz SPZKMEGBZWBDOI-HUUCEWRRSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@](CO)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000152758894 188041457 /nfs/dbraw/zinc/04/14/57/188041457.db2.gz FODJCWYJTABSGS-AWEZNQCLSA-N 1 0 298.408 3.077 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000155819242 188229258 /nfs/dbraw/zinc/22/92/58/188229258.db2.gz TZSGBTQSJNZVBT-NEPJUHHUSA-N 1 0 278.352 3.061 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000158448581 188376794 /nfs/dbraw/zinc/37/67/94/188376794.db2.gz JZMDNQHSDJRHDO-LBPRGKRZSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000373669720 234640973 /nfs/dbraw/zinc/64/09/73/234640973.db2.gz DFODRNRZROZPLE-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728608 191295720 /nfs/dbraw/zinc/29/57/20/191295720.db2.gz MOOMDJJVOCPHSY-UONOGXRCSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000413440930 235278175 /nfs/dbraw/zinc/27/81/75/235278175.db2.gz PCPTYRCAKCTCQO-GFCCVEGCSA-N 1 0 295.358 3.186 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000293709885 198741099 /nfs/dbraw/zinc/74/10/99/198741099.db2.gz MRTJPSWFSDOQQE-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000417339822 235623232 /nfs/dbraw/zinc/62/32/32/235623232.db2.gz OMQGPLHWPWLYSC-NWDGAFQWSA-N 1 0 260.337 3.354 20 5 CGBDRO C[C@@H]([NH2+]CCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108942790 138361162 /nfs/dbraw/zinc/36/11/62/138361162.db2.gz VXJGHBHSZCEYJD-GFCCVEGCSA-N 1 0 278.352 3.205 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000124326559 138374392 /nfs/dbraw/zinc/37/43/92/138374392.db2.gz HPVQSEMIUPRONH-KBMXLJTQSA-N 1 0 292.379 3.451 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000230418902 138507211 /nfs/dbraw/zinc/50/72/11/138507211.db2.gz HIJHSZGVZYKTEC-NEPJUHHUSA-N 1 0 278.352 3.129 20 5 CGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311851951 138584706 /nfs/dbraw/zinc/58/47/06/138584706.db2.gz ISQMRJYJZVSTHK-MNOVXSKESA-N 1 0 266.316 3.260 20 5 CGBDRO CCSCC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803954 199190238 /nfs/dbraw/zinc/19/02/38/199190238.db2.gz PCPGNJVPULYZIH-GHMZBOCLSA-N 1 0 297.424 3.359 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000436403364 237094515 /nfs/dbraw/zinc/09/45/15/237094515.db2.gz AJEHFAYVXAKGOQ-HRLNJXSSSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@H]([NH2+]CCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296846528 200013659 /nfs/dbraw/zinc/01/36/59/200013659.db2.gz XRLRPOPBSHOGBZ-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000341745515 216088180 /nfs/dbraw/zinc/08/81/80/216088180.db2.gz QCLUWLDMYIXATK-ZETCQYMHSA-N 1 0 292.166 3.264 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CCCC1 ZINC000341973544 216173357 /nfs/dbraw/zinc/17/33/57/216173357.db2.gz HDGWAYSFXVXWEG-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000186803240 283568959 /nfs/dbraw/zinc/56/89/59/283568959.db2.gz PNTKOSFABCHBKY-BZUAXINKSA-N 1 0 292.379 3.329 20 5 CGBDRO CC(C)[NH+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000299585225 200791395 /nfs/dbraw/zinc/79/13/95/200791395.db2.gz HWSXTKPXXVUPHN-UHFFFAOYSA-N 1 0 293.367 3.042 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2(F)CCC2)c(F)c1 ZINC000342239399 216274893 /nfs/dbraw/zinc/27/48/93/216274893.db2.gz XZASLCSXMSRWOV-UHFFFAOYSA-N 1 0 270.279 3.106 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342269913 216284983 /nfs/dbraw/zinc/28/49/83/216284983.db2.gz ABAJOUOKDBMQDR-UNIPXTFRSA-N 1 0 264.300 3.088 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000301561149 201068687 /nfs/dbraw/zinc/06/86/87/201068687.db2.gz KMRMBPWFBCRXRY-GFCCVEGCSA-N 1 0 279.384 3.291 20 5 CGBDRO Cc1ccc(NCC[N@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC000301566721 201071407 /nfs/dbraw/zinc/07/14/07/201071407.db2.gz ZJZXKWBRZHGGQO-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1cc(NC[C@H](C2CC2)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301974200 201284195 /nfs/dbraw/zinc/28/41/95/201284195.db2.gz BNESIIQELIEQAB-CQSZACIVSA-N 1 0 297.786 3.309 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCSCC1 ZINC000449134691 239198835 /nfs/dbraw/zinc/19/88/35/239198835.db2.gz KVVHVNSWJHVSIM-NSHDSACASA-N 1 0 280.393 3.011 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449149241 239203426 /nfs/dbraw/zinc/20/34/26/239203426.db2.gz MUGSMBZXDDMION-DUVNUKRYSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C=CCCC1 ZINC000449187011 239232059 /nfs/dbraw/zinc/23/20/59/239232059.db2.gz CYVSXJMXKNSHGG-TZMCWYRMSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccccn1 ZINC000449214128 239247930 /nfs/dbraw/zinc/24/79/30/239247930.db2.gz WBDMGCQOPOCKQP-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO Cc1cc(NCc2ccccn2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302199738 201391513 /nfs/dbraw/zinc/39/15/13/201391513.db2.gz URMURXNTJPHXOH-UHFFFAOYSA-N 1 0 294.314 3.459 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119674781 370698097 /nfs/dbraw/zinc/69/80/97/370698097.db2.gz VPEDVKWMNAAQMC-XPKDYRNWSA-N 1 0 292.379 3.451 20 5 CGBDRO CCOC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000353190431 219948976 /nfs/dbraw/zinc/94/89/76/219948976.db2.gz HYGQXCILOAAFBW-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000275363342 193010230 /nfs/dbraw/zinc/01/02/30/193010230.db2.gz VZNQKZFQBLFORA-GDBMZVCRSA-N 1 0 292.379 3.054 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464782275 242449912 /nfs/dbraw/zinc/44/99/12/242449912.db2.gz WLUDJJZKGGUNRU-MRXNPFEDSA-N 1 0 292.379 3.486 20 5 CGBDRO CCCCOCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000040506704 369159753 /nfs/dbraw/zinc/15/97/53/369159753.db2.gz BJZVHBJOPLABOT-HNNXBMFYSA-N 1 0 280.368 3.452 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccc1F ZINC000049943390 369424177 /nfs/dbraw/zinc/42/41/77/369424177.db2.gz UEZWWYMLDPCHLD-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000061588490 369602685 /nfs/dbraw/zinc/60/26/85/369602685.db2.gz YDYMGYPNSIITON-PWSUYJOCSA-N 1 0 266.366 3.141 20 5 CGBDRO CC[C@@H]([NH2+]CCCSC)c1cccc([N+](=O)[O-])c1 ZINC000069434205 369760795 /nfs/dbraw/zinc/76/07/95/369760795.db2.gz IXDOTLMOWSDWTC-CYBMUJFWSA-N 1 0 268.382 3.389 20 5 CGBDRO C[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000070306215 369794730 /nfs/dbraw/zinc/79/47/30/369794730.db2.gz WSFREOIGQPDUNC-VIFPVBQESA-N 1 0 254.355 3.325 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000230 369847694 /nfs/dbraw/zinc/84/76/94/369847694.db2.gz ZNNYGEPGZZDYJQ-CYBMUJFWSA-N 1 0 294.399 3.221 20 5 CGBDRO CC[C@H]([NH2+]CC1(O)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087017523 370024978 /nfs/dbraw/zinc/02/49/78/370024978.db2.gz UMDBTCLSLDNGEH-HNNXBMFYSA-N 1 0 292.379 3.331 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000091555439 370074468 /nfs/dbraw/zinc/07/44/68/370074468.db2.gz MPPOKVSUXNIBPJ-PWSUYJOCSA-N 1 0 268.382 3.387 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCOCC(C)C)cc1[N+](=O)[O-] ZINC000129803788 371001396 /nfs/dbraw/zinc/00/13/96/371001396.db2.gz NKKMPPISPUKEJU-CYBMUJFWSA-N 1 0 280.368 3.226 20 5 CGBDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000130031360 371010606 /nfs/dbraw/zinc/01/06/06/371010606.db2.gz VOSHELWIFHSFPY-UTUOFQBUSA-N 1 0 278.352 3.201 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000133336157 371244104 /nfs/dbraw/zinc/24/41/04/371244104.db2.gz MJCNTESOWNWUKU-UHFFFAOYSA-N 1 0 286.278 3.181 20 5 CGBDRO COCCCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135238170 371404648 /nfs/dbraw/zinc/40/46/48/371404648.db2.gz LEZNPKGHNRWHHT-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000220304381 376207498 /nfs/dbraw/zinc/20/74/98/376207498.db2.gz BMHQQHUMFPWHPO-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccccn1 ZINC000151411430 371598718 /nfs/dbraw/zinc/59/87/18/371598718.db2.gz YTBFUFNKYGTBBY-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2cccnc2CC1 ZINC000421842395 371664218 /nfs/dbraw/zinc/66/42/18/371664218.db2.gz KXTNCXVXJZGGHN-HNNXBMFYSA-N 1 0 297.358 3.027 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152470907 371697825 /nfs/dbraw/zinc/69/78/25/371697825.db2.gz MQNBNHRYKQAGNL-ZIAGYGMSSA-N 1 0 294.395 3.353 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153218790 371757324 /nfs/dbraw/zinc/75/73/24/371757324.db2.gz VEBUNMYGNQMYBT-BETUJISGSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289790978 371821828 /nfs/dbraw/zinc/82/18/28/371821828.db2.gz MIMSOWJVTCGULO-SNVBAGLBSA-N 1 0 270.279 3.072 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290119004 371910344 /nfs/dbraw/zinc/91/03/44/371910344.db2.gz JEDCGOQOSGUXLY-HOTGVXAUSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3[nH]ccc32)c1 ZINC000158039560 372047601 /nfs/dbraw/zinc/04/76/01/372047601.db2.gz UOMMLUSIARHGMR-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CCOC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000159168246 372112432 /nfs/dbraw/zinc/11/24/32/372112432.db2.gz RLUITTARASLWGV-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344275450 217128857 /nfs/dbraw/zinc/12/88/57/217128857.db2.gz SNWVEONCQBUYPE-OAHLLOKOSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000428452033 372205344 /nfs/dbraw/zinc/20/53/44/372205344.db2.gz IRQVDMVVROQQED-UONOGXRCSA-N 1 0 260.337 3.278 20 5 CGBDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998649 372295205 /nfs/dbraw/zinc/29/52/05/372295205.db2.gz YKVOHTAXEBUCJL-QEJZJMRPSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)([NH2+]CCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000429249676 372329603 /nfs/dbraw/zinc/32/96/03/372329603.db2.gz TVQCUDNHXTZACY-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000293240985 372334668 /nfs/dbraw/zinc/33/46/68/372334668.db2.gz LJGNSAWQTGTYAH-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000429282596 372336324 /nfs/dbraw/zinc/33/63/24/372336324.db2.gz FSZKSNCKFWSXTK-CYBMUJFWSA-N 1 0 280.393 3.170 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000163887620 372497935 /nfs/dbraw/zinc/49/79/35/372497935.db2.gz SFQNKVNTRJPBHS-NEPJUHHUSA-N 1 0 288.351 3.049 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180528 372921167 /nfs/dbraw/zinc/92/11/67/372921167.db2.gz ITACYTNFXJKRPB-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353510467 220128619 /nfs/dbraw/zinc/12/86/19/220128619.db2.gz MLLVXJFNKHGVQZ-GOEBONIOSA-N 1 0 292.379 3.044 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](C2CCC2)CC1 ZINC000295911468 372956178 /nfs/dbraw/zinc/95/61/78/372956178.db2.gz FRYSERRJDQGFCS-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296295712 373081681 /nfs/dbraw/zinc/08/16/81/373081681.db2.gz FRVGGEXWHMANPZ-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000174553111 373334759 /nfs/dbraw/zinc/33/47/59/373334759.db2.gz AXULDWYPASOHNJ-LBPRGKRZSA-N 1 0 280.368 3.196 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446721161 373345964 /nfs/dbraw/zinc/34/59/64/373345964.db2.gz ZSUPEAJCCKJDMA-NSHDSACASA-N 1 0 289.335 3.214 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000446736673 373355158 /nfs/dbraw/zinc/35/51/58/373355158.db2.gz WCPMARGIIWCDBA-JTQLQIEISA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)cn1 ZINC000447525540 373444169 /nfs/dbraw/zinc/44/41/69/373444169.db2.gz ALTNOEXRLKOMEG-KRWDZBQOSA-N 1 0 297.358 3.465 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCS1 ZINC000345043364 217395365 /nfs/dbraw/zinc/39/53/65/217395365.db2.gz HQWIMNRZZSRVPJ-INDWDQIESA-N 1 0 292.404 3.483 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000300405733 373625771 /nfs/dbraw/zinc/62/57/71/373625771.db2.gz UNWLONQLFDWPJT-BYCMXARLSA-N 1 0 292.379 3.449 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000300410134 373627397 /nfs/dbraw/zinc/62/73/97/373627397.db2.gz FBCIZHBGZUKRPO-LERXQTSPSA-N 1 0 278.352 3.059 20 5 CGBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC000301087026 373654876 /nfs/dbraw/zinc/65/48/76/373654876.db2.gz IBCWEHWLRFNERJ-AWEZNQCLSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000301127861 373669170 /nfs/dbraw/zinc/66/91/70/373669170.db2.gz XSEPABGYRXAZSA-VXGBXAGGSA-N 1 0 295.358 3.266 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]1C1CC1 ZINC000449425568 373698555 /nfs/dbraw/zinc/69/85/55/373698555.db2.gz HVWLEPXSWUATJQ-CKDIWJPDSA-N 1 0 272.348 3.482 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)c1 ZINC000449480387 373769084 /nfs/dbraw/zinc/76/90/84/373769084.db2.gz YFUVECINIOQQKX-CQSZACIVSA-N 1 0 290.363 3.034 20 5 CGBDRO COC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179370186 373861989 /nfs/dbraw/zinc/86/19/89/373861989.db2.gz XOMFWUKVPCJDKY-LBPRGKRZSA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449743208 373874128 /nfs/dbraw/zinc/87/41/28/373874128.db2.gz VRHGSUVVURKKTP-KBPBESRZSA-N 1 0 260.337 3.039 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000302750290 373952177 /nfs/dbraw/zinc/95/21/77/373952177.db2.gz VRKVDDHADWTBOR-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@H]2CCOC2)c2ccccc2)c1 ZINC000181003102 374067943 /nfs/dbraw/zinc/06/79/43/374067943.db2.gz WPCKFSPYWWOCEN-DOTOQJQBSA-N 1 0 298.342 3.063 20 5 CGBDRO COC[C@@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000181475516 374128206 /nfs/dbraw/zinc/12/82/06/374128206.db2.gz OASKHNKEGKFKEE-JTQLQIEISA-N 1 0 289.335 3.146 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC3CCC2CC3)cs1 ZINC000311155407 374234614 /nfs/dbraw/zinc/23/46/14/374234614.db2.gz KKAOEKRENNXCMG-NHNAUAITSA-N 1 0 266.366 3.325 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000311233526 374235316 /nfs/dbraw/zinc/23/53/16/374235316.db2.gz RXBXHQHCAINAAD-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182244626 374243737 /nfs/dbraw/zinc/24/37/37/374243737.db2.gz CBAVYQRDOZRFAO-OCCSQVGLSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@@H](N[C@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870280 374323197 /nfs/dbraw/zinc/32/31/97/374323197.db2.gz FUSARQDZHLZTDV-CZUORRHYSA-N 1 0 293.411 3.364 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000315240742 374327127 /nfs/dbraw/zinc/32/71/27/374327127.db2.gz QKQSEDBOYXTLPO-UBHUBRDASA-N 1 0 290.363 3.272 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000315558290 374330280 /nfs/dbraw/zinc/33/02/80/374330280.db2.gz QVTIHEYDDYEVIH-QOZQQMKHSA-N 1 0 290.363 3.272 20 5 CGBDRO CC/C=C\C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453339486 374431489 /nfs/dbraw/zinc/43/14/89/374431489.db2.gz ZJMBLAPMVKTEKA-BYPUDFOVSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@H](NCC[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000453412147 374475351 /nfs/dbraw/zinc/47/53/51/374475351.db2.gz XUCQJERSBXGSTI-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185189398 374604789 /nfs/dbraw/zinc/60/47/89/374604789.db2.gz MQIDGEIDHMWTRW-HOTGVXAUSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154601 375130430 /nfs/dbraw/zinc/13/04/30/375130430.db2.gz DDVWHZUCPNUNCR-UPJWGTAASA-N 1 0 262.353 3.461 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000507252767 375693189 /nfs/dbraw/zinc/69/31/89/375693189.db2.gz NZLWXCBTGPVWPH-GFCCVEGCSA-N 1 0 250.342 3.380 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193043169 375819180 /nfs/dbraw/zinc/81/91/80/375819180.db2.gz DFEUENIKRHWINA-HZMBPMFUSA-N 1 0 280.393 3.313 20 5 CGBDRO CC(C)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000525875395 375888991 /nfs/dbraw/zinc/88/89/91/375888991.db2.gz USOHPZGPUVIRMP-UHFFFAOYSA-N 1 0 262.353 3.389 20 5 CGBDRO CC(C)(C)CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534509112 375990748 /nfs/dbraw/zinc/99/07/48/375990748.db2.gz DAUZMFIUGJYJER-UHFFFAOYSA-N 1 0 262.353 3.389 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537092673 376146642 /nfs/dbraw/zinc/14/66/42/376146642.db2.gz DVUCKKKNGDNTQA-OLZOCXBDSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000217366886 376173105 /nfs/dbraw/zinc/17/31/05/376173105.db2.gz YZBSBRAYEWUAMW-SNVBAGLBSA-N 1 0 285.775 3.390 20 5 CGBDRO CC[C@H](NCCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919662 376223808 /nfs/dbraw/zinc/22/38/08/376223808.db2.gz JXGJUARURXCILD-INIZCTEOSA-N 1 0 293.411 3.366 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338341667 376340248 /nfs/dbraw/zinc/34/02/48/376340248.db2.gz FLUNMDMIPDAQTM-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO COCC[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000338343722 376340864 /nfs/dbraw/zinc/34/08/64/376340864.db2.gz BGKNNYSAMUAXBE-AWEZNQCLSA-N 1 0 280.368 3.136 20 5 CGBDRO CCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000227762415 376409487 /nfs/dbraw/zinc/40/94/87/376409487.db2.gz QPSPGSYWZHTPCW-UHFFFAOYSA-N 1 0 254.355 3.326 20 5 CGBDRO Cc1cccc(NCC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC000338703956 376490036 /nfs/dbraw/zinc/49/00/36/376490036.db2.gz AZDKVSIBYQOLLT-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO CS[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000543237392 376621581 /nfs/dbraw/zinc/62/15/81/376621581.db2.gz DLDFRAFAOYELSI-CYBMUJFWSA-N 1 0 282.409 3.462 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675037 376800911 /nfs/dbraw/zinc/80/09/11/376800911.db2.gz BSVKMXYZROAKSG-ZDUSSCGKSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cc[nH]c(=O)c1 ZINC000340447354 377065578 /nfs/dbraw/zinc/06/55/78/377065578.db2.gz UIMVJXFJAJASCM-WDEREUQCSA-N 1 0 287.319 3.107 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000247559481 377224389 /nfs/dbraw/zinc/22/43/89/377224389.db2.gz QPPOPXVEDSFSQW-RISCZKNCSA-N 1 0 280.393 3.483 20 5 CGBDRO Cc1cnccc1CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000563052210 377396094 /nfs/dbraw/zinc/39/60/94/377396094.db2.gz HLZFBZHETNDWFC-UHFFFAOYSA-N 1 0 299.374 3.015 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249319770 377490731 /nfs/dbraw/zinc/49/07/31/377490731.db2.gz QHOPXOUCYGIIMD-BYCMXARLSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+]CCOCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000313254346 249089683 /nfs/dbraw/zinc/08/96/83/249089683.db2.gz SBTPNJLTBLRQGQ-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178659049 284652471 /nfs/dbraw/zinc/65/24/71/284652471.db2.gz IAOPQASKVRTKRE-RYUDHWBXSA-N 1 0 280.368 3.449 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000251566996 377589044 /nfs/dbraw/zinc/58/90/44/377589044.db2.gz ANHYXAXCQSCWBR-QWHCGFSZSA-N 1 0 277.368 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000252672969 377647383 /nfs/dbraw/zinc/64/73/83/377647383.db2.gz FTMRZTHFYRGUOM-QWRGUYRKSA-N 1 0 295.770 3.287 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccn1C ZINC000574458259 377666641 /nfs/dbraw/zinc/66/66/41/377666641.db2.gz APZSIUUCVZMEQX-GFCCVEGCSA-N 1 0 273.336 3.093 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000343006516 377880022 /nfs/dbraw/zinc/88/00/22/377880022.db2.gz BWZGZTKZVJVGBJ-OAHLLOKOSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1ncncc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578667569 378089959 /nfs/dbraw/zinc/08/99/59/378089959.db2.gz VQQKUNQFOIPPBW-CMPLNLGQSA-N 1 0 286.335 3.105 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000579814734 378197120 /nfs/dbraw/zinc/19/71/20/378197120.db2.gz DELKLFMCIVACKW-NEPJUHHUSA-N 1 0 260.337 3.354 20 5 CGBDRO Cc1nc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cs1 ZINC000269385819 378214642 /nfs/dbraw/zinc/21/46/42/378214642.db2.gz AUMCIIBNZIEPEM-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)cn1 ZINC000344431625 378171284 /nfs/dbraw/zinc/17/12/84/378171284.db2.gz KIHNQWPVAQDKAJ-UHFFFAOYSA-N 1 0 292.383 3.058 20 5 CGBDRO CCC[N@H+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000270637192 378379602 /nfs/dbraw/zinc/37/96/02/378379602.db2.gz RHWBNMJDLLIXRF-UHFFFAOYSA-N 1 0 289.335 3.482 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000272198468 378583320 /nfs/dbraw/zinc/58/33/20/378583320.db2.gz ADQJZSXTYJKSDG-OLZOCXBDSA-N 1 0 292.379 3.057 20 5 CGBDRO C[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000348892749 379102489 /nfs/dbraw/zinc/10/24/89/379102489.db2.gz JIQOFGXMJUQMNJ-CQSZACIVSA-N 1 0 299.374 3.164 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](CC(F)(F)F)C1 ZINC000278757263 194139704 /nfs/dbraw/zinc/13/97/04/194139704.db2.gz MKFLKCBAWSPMTE-JTQLQIEISA-N 1 0 288.269 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC(F)(F)C2)c1 ZINC000277414735 379152834 /nfs/dbraw/zinc/15/28/34/379152834.db2.gz GDNMWUGSGBDSHS-UHFFFAOYSA-N 1 0 276.670 3.136 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000349964979 379459915 /nfs/dbraw/zinc/45/99/15/379459915.db2.gz FFFWYNAFHNHLKB-AWEZNQCLSA-N 1 0 260.337 3.135 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccoc1 ZINC000350035148 379482708 /nfs/dbraw/zinc/48/27/08/379482708.db2.gz NQQFXRIJHWNMOZ-NSHDSACASA-N 1 0 260.293 3.381 20 5 CGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccncc1 ZINC000350353906 379540462 /nfs/dbraw/zinc/54/04/62/379540462.db2.gz KKYRWHZIPOSGOE-XQRVVYSFSA-N 1 0 297.358 3.178 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280216093 379643837 /nfs/dbraw/zinc/64/38/37/379643837.db2.gz KPKLESXPLSPLIY-DOMZBBRYSA-N 1 0 280.368 3.043 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352535727 379847082 /nfs/dbraw/zinc/84/70/82/379847082.db2.gz UVONUIGGROOABQ-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541615 379850578 /nfs/dbraw/zinc/85/05/78/379850578.db2.gz ZYOGEEZBDBGLRM-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO CC1=CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284195202 380137466 /nfs/dbraw/zinc/13/74/66/380137466.db2.gz RUPWCVDEACOFOA-CQSZACIVSA-N 1 0 260.337 3.226 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000353050994 380094682 /nfs/dbraw/zinc/09/46/82/380094682.db2.gz GLZXLFYFZIFARO-UHFFFAOYSA-N 1 0 288.269 3.335 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1C ZINC000353057576 380097074 /nfs/dbraw/zinc/09/70/74/380097074.db2.gz BGQANTNQVAFHFG-CQSZACIVSA-N 1 0 293.411 3.113 20 5 CGBDRO CC[C@@H]([NH2+]CCc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000353978538 380262193 /nfs/dbraw/zinc/26/21/93/380262193.db2.gz LSRQAXOZZMBCSD-OAHLLOKOSA-N 1 0 289.335 3.175 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CC2 ZINC000417331551 380595190 /nfs/dbraw/zinc/59/51/90/380595190.db2.gz CBBOGITYTUEJHK-TZMCWYRMSA-N 1 0 274.364 3.306 20 5 CGBDRO Cc1ccc(C[NH2+]CC2(C(F)F)CC2)cc1[N+](=O)[O-] ZINC000355158182 380602915 /nfs/dbraw/zinc/60/29/15/380602915.db2.gz SQBSGCSODHVWHY-UHFFFAOYSA-N 1 0 270.279 3.038 20 5 CGBDRO COCCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000355509613 380694347 /nfs/dbraw/zinc/69/43/47/380694347.db2.gz ZWMPDXUTDXZOAP-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](CO)CC2CCCCC2)c1 ZINC000418120386 380703585 /nfs/dbraw/zinc/70/35/85/380703585.db2.gz BEJRVDZMCJEQGE-HNNXBMFYSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@@]1(F)CCN(C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355352354 380653824 /nfs/dbraw/zinc/65/38/24/380653824.db2.gz HJJNYIOIQKANOL-KXQLTZBTSA-N 1 0 264.300 3.042 20 5 CGBDRO Cc1cc(NCCc2ccc(Cl)cc2[N+](=O)[O-])cc[nH+]1 ZINC000357691012 381254498 /nfs/dbraw/zinc/25/44/98/381254498.db2.gz PVRJWAYVEYMBBS-UHFFFAOYSA-N 1 0 291.738 3.028 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000357717763 381264102 /nfs/dbraw/zinc/26/41/02/381264102.db2.gz SIMBTZASXNKLFZ-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000361482018 381766564 /nfs/dbraw/zinc/76/65/64/381766564.db2.gz TVFIUZGMVZQWDE-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000270743621 285031136 /nfs/dbraw/zinc/03/11/36/285031136.db2.gz RCXYYKYRJKPDSO-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819810 220346920 /nfs/dbraw/zinc/34/69/20/220346920.db2.gz UYBYWGIPTBBLTP-GJZGRUSLSA-N 1 0 292.379 3.230 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000287582989 196891462 /nfs/dbraw/zinc/89/14/62/196891462.db2.gz RCRZSUINWDLVJA-XBFCOCLRSA-N 1 0 292.379 3.226 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447208 195243332 /nfs/dbraw/zinc/24/33/32/195243332.db2.gz QJQVLNOELRLEFQ-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258380 533536728 /nfs/dbraw/zinc/53/67/28/533536728.db2.gz BKCZMVWHRWNOPV-MLGOLLRUSA-N 1 0 291.395 3.153 20 5 CGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000067661189 392160104 /nfs/dbraw/zinc/16/01/04/392160104.db2.gz GFRWRXMCZJPPPW-LBPRGKRZSA-N 1 0 280.368 3.470 20 5 CGBDRO COCC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000282085012 392281941 /nfs/dbraw/zinc/28/19/41/392281941.db2.gz RLVCWLLESBEQTE-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@@H](NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000105961353 392297069 /nfs/dbraw/zinc/29/70/69/392297069.db2.gz WGWMESMZRHTTQB-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO CCCO[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000108393410 392341763 /nfs/dbraw/zinc/34/17/63/392341763.db2.gz OXOWXKQSPCUOBH-HNNXBMFYSA-N 1 0 292.379 3.376 20 5 CGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000109781137 392372407 /nfs/dbraw/zinc/37/24/07/392372407.db2.gz ORGZPFZNJFVHEQ-GFCCVEGCSA-N 1 0 286.331 3.493 20 5 CGBDRO CCSCC[C@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000135292129 392474115 /nfs/dbraw/zinc/47/41/15/392474115.db2.gz JEDIGJYQAZONOB-VIFPVBQESA-N 1 0 274.411 3.278 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000300404322 392581626 /nfs/dbraw/zinc/58/16/26/392581626.db2.gz KSPOLDBQXVEHBO-LERXQTSPSA-N 1 0 278.352 3.059 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCCCCC1 ZINC000505462962 392667449 /nfs/dbraw/zinc/66/74/49/392667449.db2.gz VWVHMFZKNYDOOT-VQHVLOKHSA-N 1 0 260.337 3.484 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505609556 392680613 /nfs/dbraw/zinc/68/06/13/392680613.db2.gz ZHNROUAZHDCMDW-PHIMTYICSA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@@H]1C[C@H](C)N(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509671975 392765952 /nfs/dbraw/zinc/76/59/52/392765952.db2.gz SDJBZPVMYYRLLA-BDAKNGLRSA-N 1 0 270.279 3.103 20 5 CGBDRO C[C@H](F)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375712843 392809497 /nfs/dbraw/zinc/80/94/97/392809497.db2.gz ZGZKLLDVRNBSNA-LBPRGKRZSA-N 1 0 296.342 3.186 20 5 CGBDRO C[NH2+]C(C)(C)CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000519772492 392894086 /nfs/dbraw/zinc/89/40/86/392894086.db2.gz FUWNOGAQLQHMHE-UHFFFAOYSA-N 1 0 292.166 3.312 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCC1CC1)CCC2 ZINC000193010389 392866094 /nfs/dbraw/zinc/86/60/94/392866094.db2.gz DMNYYKJNYVORDL-HNNXBMFYSA-N 1 0 260.337 3.362 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928003 393073053 /nfs/dbraw/zinc/07/30/53/393073053.db2.gz XXHTXXDALACTIH-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468733485 393158795 /nfs/dbraw/zinc/15/87/95/393158795.db2.gz KYOLWEJEGUZSGU-RQPMMQJISA-N 1 0 292.379 3.259 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCO1 ZINC000470174508 393229205 /nfs/dbraw/zinc/22/92/05/393229205.db2.gz LKZDDLRNJAZMIJ-RCBBPTIPSA-N 1 0 290.363 3.109 20 5 CGBDRO CSCC[N@H+](C)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470170251 393229774 /nfs/dbraw/zinc/22/97/74/393229774.db2.gz RAQYPGGADCJOEP-FMIVXFBMSA-N 1 0 280.393 3.293 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2COCc3ccccc32)cc1[N+](=O)[O-] ZINC000418100365 393359655 /nfs/dbraw/zinc/35/96/55/393359655.db2.gz PJEMDUIYXHERLR-INIZCTEOSA-N 1 0 298.342 3.264 20 5 CGBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722572 393413091 /nfs/dbraw/zinc/41/30/91/393413091.db2.gz HPMCQGZJOXPBRC-JHJVBQTASA-N 1 0 262.353 3.461 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399893 393437597 /nfs/dbraw/zinc/43/75/97/393437597.db2.gz GAUQLIHJMKMOFB-IUODEOHRSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1cc(N[C@H](C)[C@@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420269625 393445506 /nfs/dbraw/zinc/44/55/06/393445506.db2.gz UFSGPUQXMYVQAL-HTQZYQBOSA-N 1 0 291.273 3.070 20 5 CGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420274298 393447202 /nfs/dbraw/zinc/44/72/02/393447202.db2.gz FKAKLVBKWYNQMG-NXEZZACHSA-N 1 0 283.759 3.178 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214532 393540771 /nfs/dbraw/zinc/54/07/71/393540771.db2.gz ZVEJSFKETSJWEC-DGCLKSJQSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430224836 393543473 /nfs/dbraw/zinc/54/34/73/393543473.db2.gz WOTXFUKAKQTHIO-OAHLLOKOSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429764267 393498857 /nfs/dbraw/zinc/49/88/57/393498857.db2.gz HUFJAYKZDJKMBN-GWCFXTLKSA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000357718555 393515108 /nfs/dbraw/zinc/51/51/08/393515108.db2.gz WOKAQQDXSPJMAZ-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000430234731 393546406 /nfs/dbraw/zinc/54/64/06/393546406.db2.gz BDAWKLUPYGNNKI-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000361023297 393647442 /nfs/dbraw/zinc/64/74/42/393647442.db2.gz UPJJPACCPYCYNU-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@H]([NH3+])CCN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423225126 393655142 /nfs/dbraw/zinc/65/51/42/393655142.db2.gz LHQAIWKNLBPSGM-SUMWQHHRSA-N 1 0 299.374 3.011 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C23CCC(CC2)CC3)cs1 ZINC000449534351 393886489 /nfs/dbraw/zinc/88/64/89/393886489.db2.gz KYFOYTGQNFZXTA-UHFFFAOYSA-N 1 0 266.366 3.469 20 5 CGBDRO Cc1ccc(F)c(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000449552199 393897850 /nfs/dbraw/zinc/89/78/50/393897850.db2.gz ILRHHSKSLNDWDM-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO Cc1ccc(F)c(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000449558417 393903012 /nfs/dbraw/zinc/90/30/12/393903012.db2.gz XKGVPAONQHVGNQ-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000449593242 393916320 /nfs/dbraw/zinc/91/63/20/393916320.db2.gz ZOFFQVGZAOJTIQ-AWEZNQCLSA-N 1 0 294.395 3.132 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000092328681 165291530 /nfs/dbraw/zinc/29/15/30/165291530.db2.gz SFDOCIKCDQTEGG-OAHLLOKOSA-N 1 0 289.335 3.441 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCCC2(C)C)cc1[N+](=O)[O-] ZINC000094266056 165346683 /nfs/dbraw/zinc/34/66/83/165346683.db2.gz DZHRXSDVWKHOCW-AWEZNQCLSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1ccc(C[NH+]2C[C@H](C)S[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000092540606 287112517 /nfs/dbraw/zinc/11/25/17/287112517.db2.gz PSAGFISYRLUSCY-RYUDHWBXSA-N 1 0 280.393 3.229 20 5 CGBDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020201858 171066459 /nfs/dbraw/zinc/06/64/59/171066459.db2.gz BEVCTYCWDBVHER-XJKSGUPXSA-N 1 0 293.411 3.222 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284866470 196147103 /nfs/dbraw/zinc/14/71/03/196147103.db2.gz DJORXYGQHBNMOG-ZBFHGGJFSA-N 1 0 290.363 3.047 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284995103 196173137 /nfs/dbraw/zinc/17/31/37/196173137.db2.gz GPJJGSUJNPIECP-KWBADKCTSA-N 1 0 263.341 3.016 20 5 CGBDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000035254146 172083818 /nfs/dbraw/zinc/08/38/18/172083818.db2.gz JUHGBEYDYFZTDV-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000035739292 172393554 /nfs/dbraw/zinc/39/35/54/172393554.db2.gz ZHYWEHOBASMDIO-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285447763 196287593 /nfs/dbraw/zinc/28/75/93/196287593.db2.gz IVDDJOFGMDNANI-MNOVXSKESA-N 1 0 298.770 3.010 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000037176895 173010466 /nfs/dbraw/zinc/01/04/66/173010466.db2.gz DDUYBUDYAONRDI-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO CC(C)COCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177125 173010630 /nfs/dbraw/zinc/01/06/30/173010630.db2.gz CQQARZOKZBOTRT-ZDUSSCGKSA-N 1 0 280.368 3.308 20 5 CGBDRO CC[C@H]([NH2+]C1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000038098035 174112900 /nfs/dbraw/zinc/11/29/00/174112900.db2.gz LCEISFPZKNEJNG-INIZCTEOSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071207427 176080898 /nfs/dbraw/zinc/08/08/98/176080898.db2.gz NSQDIZQALZOHOA-JOYOIKCWSA-N 1 0 252.289 3.012 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130590430 287358948 /nfs/dbraw/zinc/35/89/48/287358948.db2.gz SJLRLKGTALVBFI-HIFRSBDPSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC12CC2 ZINC000417331547 533682180 /nfs/dbraw/zinc/68/21/80/533682180.db2.gz CBBOGITYTUEJHK-GXTWGEPZSA-N 1 0 274.364 3.306 20 5 CGBDRO CCOc1cccc(N[C@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000134915510 287456170 /nfs/dbraw/zinc/45/61/70/287456170.db2.gz XNWIVIROAKVWKS-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000040675856 270029567 /nfs/dbraw/zinc/02/95/67/270029567.db2.gz RUTRBIGQJXVTIL-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH+]1CCCCCC1 ZINC000103464783 270046071 /nfs/dbraw/zinc/04/60/71/270046071.db2.gz MFNYDZIZEHLLCS-UHFFFAOYSA-N 1 0 252.289 3.110 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000324784223 270094532 /nfs/dbraw/zinc/09/45/32/270094532.db2.gz JEPZYVQPALULPC-INIZCTEOSA-N 1 0 290.363 3.272 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015062 270103785 /nfs/dbraw/zinc/10/37/85/270103785.db2.gz VMSOFBZPWWDYDV-ZWNOBZJWSA-N 1 0 260.337 3.218 20 5 CGBDRO CC1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000525124855 270117282 /nfs/dbraw/zinc/11/72/82/270117282.db2.gz KAJPFOWFDHHZSN-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359640 274288003 /nfs/dbraw/zinc/28/80/03/274288003.db2.gz RSAXMFDXXADXAL-ZWNOBZJWSA-N 1 0 293.323 3.171 20 5 CGBDRO CCC[C@]1(CO)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236446 276053546 /nfs/dbraw/zinc/05/35/46/276053546.db2.gz MRJVRTVCBLJBLY-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223437202 276213403 /nfs/dbraw/zinc/21/34/03/276213403.db2.gz LHTQNGLCWIDTNV-XHDPSFHLSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000362977161 276420616 /nfs/dbraw/zinc/42/06/16/276420616.db2.gz PDIPPHKMQNHWBH-ABAIWWIYSA-N 1 0 280.368 3.054 20 5 CGBDRO CC[C@H](CCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310761 276566096 /nfs/dbraw/zinc/56/60/96/276566096.db2.gz KTYBDNNQMJXLRW-CJNGLKHVSA-N 1 0 292.379 3.113 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000417357645 277636965 /nfs/dbraw/zinc/63/69/65/277636965.db2.gz HAUWLJRWZNZLKZ-CHWSQXEVSA-N 1 0 280.368 3.307 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000252450784 277644451 /nfs/dbraw/zinc/64/44/51/277644451.db2.gz UVFBBPFPLAQASP-KCPJHIHWSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@H](C)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345796 277706062 /nfs/dbraw/zinc/70/60/62/277706062.db2.gz UXAVINIILYYJHN-WBMJQRKESA-N 1 0 292.379 3.377 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396573367 288013960 /nfs/dbraw/zinc/01/39/60/288013960.db2.gz ZAAPTADYHGBZHG-JSGCOSHPSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000132477319 278370159 /nfs/dbraw/zinc/37/01/59/278370159.db2.gz AAZPVXXDGROXMR-GHMZBOCLSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000367629861 278383777 /nfs/dbraw/zinc/38/37/77/278383777.db2.gz BQNVYAMYBAFROQ-YGRLFVJLSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268925237 279515086 /nfs/dbraw/zinc/51/50/86/279515086.db2.gz ALCZEMFNJGBYAY-GXTWGEPZSA-N 1 0 290.363 3.347 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000452009004 279774681 /nfs/dbraw/zinc/77/46/81/279774681.db2.gz BTDIVKSFHDYZCF-NJZAAPMLSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000453325517 280194638 /nfs/dbraw/zinc/19/46/38/280194638.db2.gz MLHKTBHXTHEWNZ-RBSFLKMASA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000533356735 288377847 /nfs/dbraw/zinc/37/78/47/288377847.db2.gz OQHRYEJYMMOKDP-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCO[C@H](C)C1 ZINC000536178879 288475487 /nfs/dbraw/zinc/47/54/87/288475487.db2.gz JFTUBHKPESQUKB-RDBSUJKOSA-N 1 0 292.379 3.369 20 5 CGBDRO CCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000539711026 288626585 /nfs/dbraw/zinc/62/65/85/288626585.db2.gz ZHIWJXQMJBCSMJ-ALCCZGGFSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000540481216 288657140 /nfs/dbraw/zinc/65/71/40/288657140.db2.gz WXDCSFFFAUKYLG-DTWKUNHWSA-N 1 0 276.258 3.444 20 5 CGBDRO CC(C)(C)OCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000540595768 288662846 /nfs/dbraw/zinc/66/28/46/288662846.db2.gz ZCJCYFFOTNTLGE-VURMDHGXSA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000553427900 289224136 /nfs/dbraw/zinc/22/41/36/289224136.db2.gz SPMJOLRLVJTJGN-VIKVFOODSA-N 1 0 292.379 3.388 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388233829 327857090 /nfs/dbraw/zinc/85/70/90/327857090.db2.gz NONQNNGGHDOMEV-PGUXBMHVSA-N 1 0 278.352 3.059 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152470704 321699952 /nfs/dbraw/zinc/69/99/52/321699952.db2.gz MQNBNHRYKQAGNL-UONOGXRCSA-N 1 0 294.395 3.353 20 5 CGBDRO Cc1cccc(N[C@@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000388763541 328300682 /nfs/dbraw/zinc/30/06/82/328300682.db2.gz LFCHEGLLDUHTJJ-LBPRGKRZSA-N 1 0 265.357 3.044 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCO1 ZINC000167101462 321909260 /nfs/dbraw/zinc/90/92/60/321909260.db2.gz YTTRHPARPCJRHK-CZUORRHYSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H]([NH2+]CCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173308282 321946497 /nfs/dbraw/zinc/94/64/97/321946497.db2.gz BTPXURHSELKXBL-CQSZACIVSA-N 1 0 299.374 3.382 20 5 CGBDRO C[C@H]([N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000570122935 322265367 /nfs/dbraw/zinc/26/53/67/322265367.db2.gz XVDPAZXMMQCMJU-JTQLQIEISA-N 1 0 290.367 3.338 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000582497436 329101972 /nfs/dbraw/zinc/10/19/72/329101972.db2.gz TXAUTZGUOKMVIB-MRXNPFEDSA-N 1 0 298.342 3.381 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000580531039 335104778 /nfs/dbraw/zinc/10/47/78/335104778.db2.gz PRUIGDUJKKUPMW-AWEZNQCLSA-N 1 0 290.363 3.096 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000576132265 335158934 /nfs/dbraw/zinc/15/89/34/335158934.db2.gz NIQOULHFBIJTBR-YIKOMLBNSA-N 1 0 292.379 3.305 20 5 CGBDRO CCOC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000576240067 335176560 /nfs/dbraw/zinc/17/65/60/335176560.db2.gz RDNCHTIMJMCDQF-CABCVRRESA-N 1 0 292.379 3.233 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000577481483 335356770 /nfs/dbraw/zinc/35/67/70/335356770.db2.gz VRFIFBDVWPERKH-YPMHNXCESA-N 1 0 280.368 3.226 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1CCSCC1 ZINC000578786908 335675168 /nfs/dbraw/zinc/67/51/68/335675168.db2.gz YHVSDABZUDRPDG-CYBMUJFWSA-N 1 0 278.377 3.067 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000381698781 336070991 /nfs/dbraw/zinc/07/09/91/336070991.db2.gz ONLSFTQDSDZWKM-LLVKDONJSA-N 1 0 270.279 3.120 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000425349775 533985637 /nfs/dbraw/zinc/98/56/37/533985637.db2.gz LEECNSIGSQYMGA-LSDHHAIUSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(F)(F)F ZINC000449254318 534254149 /nfs/dbraw/zinc/25/41/49/534254149.db2.gz XQDUIJGGCIEYGQ-UWVGGRQHSA-N 1 0 290.285 3.456 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC2([NH+](C)C)CCCC2)c1 ZINC000149688662 534325067 /nfs/dbraw/zinc/32/50/67/534325067.db2.gz IGAHDXJFBBOKGA-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000087710183 520371132 /nfs/dbraw/zinc/37/11/32/520371132.db2.gz RKYOSAJPNYCLBV-HUUCEWRRSA-N 1 0 290.363 3.032 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773706 524168153 /nfs/dbraw/zinc/16/81/53/524168153.db2.gz BQUFOJIMMUOUHV-CABZTGNLSA-N 1 0 252.289 3.012 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449373937 528154367 /nfs/dbraw/zinc/15/43/67/528154367.db2.gz CZNQSMPQDMBUBD-DZGCQCFKSA-N 1 0 294.395 3.321 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000357793120 528598377 /nfs/dbraw/zinc/59/83/77/528598377.db2.gz OOVLENKQKLQNNS-BXUZGUMPSA-N 1 0 280.368 3.041 20 5 CGBDRO CC(C)[N@H+](CCC1(O)CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000411185155 528880729 /nfs/dbraw/zinc/88/07/29/528880729.db2.gz GUMJZWZLABECOA-UHFFFAOYSA-N 1 0 292.379 3.110 20 5 CGBDRO CCC[C@@H]([NH2+]CC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157520262 529005716 /nfs/dbraw/zinc/00/57/16/529005716.db2.gz FWLGJQAEZLBTIG-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[C@@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178120380 529180325 /nfs/dbraw/zinc/18/03/25/529180325.db2.gz TUOWSNZAENYOHM-CABCVRRESA-N 1 0 280.368 3.043 20 5 CGBDRO CC1(C)CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000726964809 571690431 /nfs/dbraw/zinc/69/04/31/571690431.db2.gz HNBQPWCTXUZMRJ-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO C[S@@](=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000735085043 572699895 /nfs/dbraw/zinc/69/98/95/572699895.db2.gz ZSLXKGOIDSNJNH-OAQYLSRUSA-N 1 0 297.423 3.461 20 5 CGBDRO CCCCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406515 572750349 /nfs/dbraw/zinc/75/03/49/572750349.db2.gz FDMCYZWOWAFGGG-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311920987 618947270 /nfs/dbraw/zinc/94/72/70/618947270.db2.gz ULTUIUSCERLMMD-JTQLQIEISA-N 1 0 285.775 3.389 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH+]2CCCCCCC2)cs1 ZINC000054152619 619427785 /nfs/dbraw/zinc/42/77/85/619427785.db2.gz RSWVHBMPHQEAIO-UHFFFAOYSA-N 1 0 254.355 3.422 20 5 CGBDRO COc1ccc(C[NH2+]CC(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC000897443065 620337480 /nfs/dbraw/zinc/33/74/80/620337480.db2.gz PUPLLPZZINALST-UHFFFAOYSA-N 1 0 278.352 3.129 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000897460271 620340135 /nfs/dbraw/zinc/34/01/35/620340135.db2.gz GGMFABDQULSQTL-SCVCMEIPSA-N 1 0 284.306 3.332 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000897463704 620340458 /nfs/dbraw/zinc/34/04/58/620340458.db2.gz BWYZAIIFMJCRNT-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])sn1 ZINC000897463725 620340514 /nfs/dbraw/zinc/34/05/14/620340514.db2.gz HQFJKVRIRFJCIY-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465044 620340547 /nfs/dbraw/zinc/34/05/47/620340547.db2.gz RHJWBVJPKUGWLO-MGPQQGTHSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000897463938 620340693 /nfs/dbraw/zinc/34/06/93/620340693.db2.gz CXSIDLAMKJDOFX-NWDGAFQWSA-N 1 0 280.393 3.184 20 5 CGBDRO C[C@H](C[NH2+]C1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000897466373 620340929 /nfs/dbraw/zinc/34/09/29/620340929.db2.gz SOIQLILRHDKSPC-CYBMUJFWSA-N 1 0 296.370 3.455 20 5 CGBDRO Cc1ncccc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469684 620341878 /nfs/dbraw/zinc/34/18/78/620341878.db2.gz OPJYETVMWWBJKU-GFCCVEGCSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000898251342 620497582 /nfs/dbraw/zinc/49/75/82/620497582.db2.gz ACJNBXYVXHDFIG-INIZCTEOSA-N 1 0 297.358 3.118 20 5 CGBDRO CC[C@@](C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000323078231 620530507 /nfs/dbraw/zinc/53/05/07/620530507.db2.gz YFXPNJGRMUYDAK-ZDUSSCGKSA-N 1 0 286.759 3.153 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000927022414 620563433 /nfs/dbraw/zinc/56/34/33/620563433.db2.gz ACWGDOBDMKIAPQ-OCCSQVGLSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000901642685 620960114 /nfs/dbraw/zinc/96/01/14/620960114.db2.gz MHINZKKTOAZMPV-STQMWFEESA-N 1 0 285.347 3.444 20 5 CGBDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000902969041 621502936 /nfs/dbraw/zinc/50/29/36/621502936.db2.gz AVJYXBZXHRITML-CABCVRRESA-N 1 0 292.379 3.341 20 5 CGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903055991 621545033 /nfs/dbraw/zinc/54/50/33/621545033.db2.gz OJJLIPDZBVHGJE-ZJUUUORDSA-N 1 0 252.314 3.053 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC=C(C)C)cc([N+](=O)[O-])c1 ZINC000903158004 621603337 /nfs/dbraw/zinc/60/33/37/621603337.db2.gz QCDXLQFWSSRVPL-NSHDSACASA-N 1 0 264.325 3.220 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC[C@H](C)F)cc([N+](=O)[O-])c1 ZINC000903176925 621613744 /nfs/dbraw/zinc/61/37/44/621613744.db2.gz GNTFFVJOOMPJAM-UWVGGRQHSA-N 1 0 270.304 3.002 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903179088 621614610 /nfs/dbraw/zinc/61/46/10/621614610.db2.gz MJGUIDDSACMBNL-IAQYHMDHSA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903193548 621621537 /nfs/dbraw/zinc/62/15/37/621621537.db2.gz FRUITXKNSSDAMU-IMSIIYSGSA-N 1 0 296.392 3.148 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903212534 621631148 /nfs/dbraw/zinc/63/11/48/621631148.db2.gz MJWKCFPNVOPXCI-LLVKDONJSA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903217166 621632003 /nfs/dbraw/zinc/63/20/03/621632003.db2.gz QRGBFECXTMAZJT-RYUDHWBXSA-N 1 0 276.336 3.220 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244908 621637002 /nfs/dbraw/zinc/63/70/02/621637002.db2.gz GFQSSUQNWHUQKK-UONOGXRCSA-N 1 0 299.374 3.314 20 5 CGBDRO C[C@@H]([NH2+]C1CC(CF)(CF)C1)c1ccc([N+](=O)[O-])cc1 ZINC000903287814 621670564 /nfs/dbraw/zinc/67/05/64/621670564.db2.gz QUXWJQQFBOENRC-SNVBAGLBSA-N 1 0 284.306 3.333 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cncs1 ZINC000903309635 621682568 /nfs/dbraw/zinc/68/25/68/621682568.db2.gz FXJHGQBNRBGYRP-DTWKUNHWSA-N 1 0 292.364 3.045 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903333267 621689782 /nfs/dbraw/zinc/68/97/82/621689782.db2.gz YMZHOFQSVGBLQW-OLZOCXBDSA-N 1 0 294.395 3.319 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000905246453 622051563 /nfs/dbraw/zinc/05/15/63/622051563.db2.gz IBMKSSFQCGYMNE-MGCOHNPYSA-N 1 0 289.162 3.106 20 5 CGBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000230696691 623261705 /nfs/dbraw/zinc/26/17/05/623261705.db2.gz FZIYNIYYGCWQCK-OLZOCXBDSA-N 1 0 280.393 3.277 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC(F)(F)F ZINC000063099992 623295965 /nfs/dbraw/zinc/29/59/65/623295965.db2.gz LATMZOCHQQJUMN-UHFFFAOYSA-N 1 0 282.649 3.290 20 5 CGBDRO C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CC[N+](=O)[O-] ZINC000929773825 623626203 /nfs/dbraw/zinc/62/62/03/623626203.db2.gz IYWUNPDKQKTIHQ-GHMZBOCLSA-N 1 0 270.760 3.041 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](C(F)(F)F)C2)cc1 ZINC000761044597 623654322 /nfs/dbraw/zinc/65/43/22/623654322.db2.gz BGNDPLLEQWSGGL-NSHDSACASA-N 1 0 288.269 3.022 20 5 CGBDRO CC(C)[NH+](CCSCc1cccnc1[N+](=O)[O-])C(C)C ZINC000917388576 624266149 /nfs/dbraw/zinc/26/61/49/624266149.db2.gz BKQCTSJLPWDZDM-UHFFFAOYSA-N 1 0 297.424 3.342 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154380638 624267041 /nfs/dbraw/zinc/26/70/41/624267041.db2.gz HNQGGGPHLJPJNF-HOTGVXAUSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)(/C=C\Cl)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922649011 626025484 /nfs/dbraw/zinc/02/54/84/626025484.db2.gz ASPRNDPZZTYECG-SREVYHEPSA-N 1 0 254.717 3.216 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000922964949 626111684 /nfs/dbraw/zinc/11/16/84/626111684.db2.gz OESYLZBIHVNQHB-WQDDEOEWSA-N 1 0 272.348 3.388 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CCC1 ZINC000788668919 626185583 /nfs/dbraw/zinc/18/55/83/626185583.db2.gz BQCLPVQQLIJTQE-ZJUUUORDSA-N 1 0 263.341 3.016 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761512309 627047399 /nfs/dbraw/zinc/04/73/99/627047399.db2.gz QPGGJXYSWNNQPE-SECBINFHSA-N 1 0 254.717 3.090 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905717 628048018 /nfs/dbraw/zinc/04/80/18/628048018.db2.gz RCGYCIDLEYPVKK-ZYHUDNBSSA-N 1 0 293.323 3.123 20 5 CGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000776252541 628184761 /nfs/dbraw/zinc/18/47/61/628184761.db2.gz FPZPNUPKSPJBDR-CABCVRRESA-N 1 0 292.379 3.278 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582492 628221125 /nfs/dbraw/zinc/22/11/25/628221125.db2.gz RIXRNGVVMCUUHZ-CABCVRRESA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(C2CC2)CC1 ZINC000794910187 629597717 /nfs/dbraw/zinc/59/77/17/629597717.db2.gz FSNRYYJLLIYIIM-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865604696 630214923 /nfs/dbraw/zinc/21/49/23/630214923.db2.gz VNXPDUZZVBJPHC-UHFFFAOYSA-N 1 0 276.308 3.186 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800246312 630255913 /nfs/dbraw/zinc/25/59/13/630255913.db2.gz FLCWOUZBMXWTFY-SNVBAGLBSA-N 1 0 286.759 3.151 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000865734251 630555876 /nfs/dbraw/zinc/55/58/76/630555876.db2.gz PKEYGCHGZMBCJC-XYPYZODXSA-N 1 0 286.784 3.232 20 5 CGBDRO CCC(CC)[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808782165 630678088 /nfs/dbraw/zinc/67/80/88/630678088.db2.gz IKDOCJMYOKKKPE-OAHLLOKOSA-N 1 0 280.368 3.139 20 5 CGBDRO C[N@H+](CCC[C@@H]1CCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876552624 634856119 /nfs/dbraw/zinc/85/61/19/634856119.db2.gz XLVGEYHPFVQCJD-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552870 631793885 /nfs/dbraw/zinc/79/38/85/631793885.db2.gz MKKKUBCGEHPCNK-NXEZZACHSA-N 1 0 251.330 3.016 20 5 CGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H](C)[N@H+]1C ZINC000865834386 632906818 /nfs/dbraw/zinc/90/68/18/632906818.db2.gz LXEWALCCOJWEJO-AOOOYVTPSA-N 1 0 299.321 3.061 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCCC1 ZINC000866213031 633030672 /nfs/dbraw/zinc/03/06/72/633030672.db2.gz QEOCIYAJIYFIBF-SNVBAGLBSA-N 1 0 266.316 3.197 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCSC1 ZINC000866279477 633062506 /nfs/dbraw/zinc/06/25/06/633062506.db2.gz UZEQNPFRFMOMHK-GXFFZTMASA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC=CCC1 ZINC000866299743 633069270 /nfs/dbraw/zinc/06/92/70/633069270.db2.gz PIHPSNGMNIDIOC-FZMZJTMJSA-N 1 0 278.327 3.363 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC=CCC1 ZINC000866299742 633069887 /nfs/dbraw/zinc/06/98/87/633069887.db2.gz PIHPSNGMNIDIOC-BXUZGUMPSA-N 1 0 278.327 3.363 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363803 633102069 /nfs/dbraw/zinc/10/20/69/633102069.db2.gz OPQRXFBXXGTJTF-ZJUUUORDSA-N 1 0 272.295 3.003 20 5 CGBDRO CC(C)C1([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866364549 633102224 /nfs/dbraw/zinc/10/22/24/633102224.db2.gz RFJPYLWGUGXVKT-NSHDSACASA-N 1 0 280.343 3.443 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540703 633183537 /nfs/dbraw/zinc/18/35/37/633183537.db2.gz RTTHQAIMKURVTK-LSDHHAIUSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000866636473 633224784 /nfs/dbraw/zinc/22/47/84/633224784.db2.gz KYBXNMCMWOYNDX-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC1 ZINC000872016061 633936806 /nfs/dbraw/zinc/93/68/06/633936806.db2.gz CWBLQQFVFOTNPP-QMMMGPOBSA-N 1 0 252.339 3.130 20 5 CGBDRO CC[NH+](CC)CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872015994 633937191 /nfs/dbraw/zinc/93/71/91/633937191.db2.gz AYEZSFQHWADMBR-GFCCVEGCSA-N 1 0 297.374 3.116 20 5 CGBDRO CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872034399 633952478 /nfs/dbraw/zinc/95/24/78/633952478.db2.gz NMYSEVRYZQMVAQ-IINYFYTJSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@H]([NH2+]C1CCC(C)(O)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040793 633962300 /nfs/dbraw/zinc/96/23/00/633962300.db2.gz NHOINXOYZDJORT-NLTNOIMHSA-N 1 0 296.342 3.078 20 5 CGBDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048889 633971743 /nfs/dbraw/zinc/97/17/43/633971743.db2.gz NPODBAJDYXSZOO-NSHDSACASA-N 1 0 296.342 3.201 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064937 633987835 /nfs/dbraw/zinc/98/78/35/633987835.db2.gz PMKAHJRQXRZAFD-MNOVXSKESA-N 1 0 296.342 3.342 20 5 CGBDRO CO[C@](C)(C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872073397 633995352 /nfs/dbraw/zinc/99/53/52/633995352.db2.gz QJWVHLMWIIRVKN-ZUZCIYMTSA-N 1 0 296.342 3.200 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073411 633995472 /nfs/dbraw/zinc/99/54/72/633995472.db2.gz QPTSVPSLBZJYDZ-RYUDHWBXSA-N 1 0 297.374 3.113 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872074705 633996904 /nfs/dbraw/zinc/99/69/04/633996904.db2.gz GOIRFYDLJXPJFT-IINYFYTJSA-N 1 0 284.331 3.200 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872078651 634001653 /nfs/dbraw/zinc/00/16/53/634001653.db2.gz RXOPMKRWSUAVFV-USWWRNFRSA-N 1 0 278.327 3.431 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080640 634003720 /nfs/dbraw/zinc/00/37/20/634003720.db2.gz BFPQUTKVHUEIFE-SDDRHHMPSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081298 634005528 /nfs/dbraw/zinc/00/55/28/634005528.db2.gz GHBVXBXQYSUZGY-ATZCPNFKSA-N 1 0 284.356 3.279 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)C[C@@H](C)O ZINC000873060108 634238989 /nfs/dbraw/zinc/23/89/89/634238989.db2.gz FDMKFGDTMUBCNK-GFCCVEGCSA-N 1 0 294.395 3.098 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCO[C@@H](C)C1 ZINC000873099021 634246208 /nfs/dbraw/zinc/24/62/08/634246208.db2.gz RCMFWIHFJWFUHA-JSGCOSHPSA-N 1 0 292.379 3.116 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000873134624 634254729 /nfs/dbraw/zinc/25/47/29/634254729.db2.gz OTRHPBPHOXWNQS-GFCCVEGCSA-N 1 0 285.347 3.192 20 5 CGBDRO COC(C)(C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873148481 634255051 /nfs/dbraw/zinc/25/50/51/634255051.db2.gz CKXMCKFUTWYCDF-UHFFFAOYSA-N 1 0 280.368 3.116 20 5 CGBDRO COCC(C)(C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000873153132 634260505 /nfs/dbraw/zinc/26/05/05/634260505.db2.gz ATYISGZKDQBIIG-SOFGYWHQSA-N 1 0 292.379 3.260 20 5 CGBDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877814595 635222568 /nfs/dbraw/zinc/22/25/68/635222568.db2.gz UQINJIYFDJTACP-GFCCVEGCSA-N 1 0 288.269 3.369 20 5 CGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843056498 635553684 /nfs/dbraw/zinc/55/36/84/635553684.db2.gz NUNIZKYWVTYLPI-CYBMUJFWSA-N 1 0 299.802 3.053 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879529271 635806014 /nfs/dbraw/zinc/80/60/14/635806014.db2.gz UYHIBJUIDLOQDJ-TXEJJXNPSA-N 1 0 276.311 3.132 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844433902 635899023 /nfs/dbraw/zinc/89/90/23/635899023.db2.gz ICVSXVRLEPGSNG-ZDUSSCGKSA-N 1 0 282.290 3.216 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(F)CC1 ZINC000880240208 635949505 /nfs/dbraw/zinc/94/95/05/635949505.db2.gz PNWBBNRGZSLMJZ-NSHDSACASA-N 1 0 266.316 3.398 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(F)CC1 ZINC000880240207 635949647 /nfs/dbraw/zinc/94/96/47/635949647.db2.gz PNWBBNRGZSLMJZ-LLVKDONJSA-N 1 0 266.316 3.398 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880469148 636006654 /nfs/dbraw/zinc/00/66/54/636006654.db2.gz FVBCBRUIFWBBSR-OCCSQVGLSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846071809 636141431 /nfs/dbraw/zinc/14/14/31/636141431.db2.gz AKDCZFQFPXJPEV-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000846959420 636294603 /nfs/dbraw/zinc/29/46/03/636294603.db2.gz IFXRVMQEBYZKGG-CQSZACIVSA-N 1 0 278.352 3.142 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000846961196 636295936 /nfs/dbraw/zinc/29/59/36/636295936.db2.gz NVOXIBMGTPLEIA-LBPRGKRZSA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848518032 636584077 /nfs/dbraw/zinc/58/40/77/636584077.db2.gz GOURNCILBVRHKR-XHDPSFHLSA-N 1 0 286.331 3.396 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCc2ccns2)cccc1[N+](=O)[O-] ZINC000883247941 636617467 /nfs/dbraw/zinc/61/74/67/636617467.db2.gz BVSUQBZCMGMJHC-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO COC[C@H]1C[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000883316344 636665971 /nfs/dbraw/zinc/66/59/71/636665971.db2.gz UNRJTBKQLLUPTA-QLCSPZGSSA-N 1 0 290.363 3.013 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000850449220 637070540 /nfs/dbraw/zinc/07/05/40/637070540.db2.gz RYYPIWPRJPBYJN-WDEREUQCSA-N 1 0 289.335 3.343 20 5 CGBDRO C[C@@H](CSCCF)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000850471062 637079905 /nfs/dbraw/zinc/07/99/05/637079905.db2.gz LWPVXTOOBIMJOF-QWRGUYRKSA-N 1 0 286.372 3.337 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2COC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000850523833 637102161 /nfs/dbraw/zinc/10/21/61/637102161.db2.gz DCVOKWUZNDXAQP-QWHCGFSZSA-N 1 0 290.363 3.265 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850557651 637121429 /nfs/dbraw/zinc/12/14/29/637121429.db2.gz OFRUXWWZFOCZPH-ZUZCIYMTSA-N 1 0 277.368 3.262 20 5 CGBDRO C[C@@H]([NH2+][C@@]1(C)CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850556486 637122175 /nfs/dbraw/zinc/12/21/75/637122175.db2.gz QWZTZIGKSAVEJK-OTYXRUKQSA-N 1 0 263.341 3.016 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000886086051 637402673 /nfs/dbraw/zinc/40/26/73/637402673.db2.gz GUPHJLBHCOCCND-LSDHHAIUSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886109565 637418568 /nfs/dbraw/zinc/41/85/68/637418568.db2.gz NWKWFWYMIOPAKO-UVBJJODRSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000886249031 637469768 /nfs/dbraw/zinc/46/97/68/637469768.db2.gz BGYSJIWGGSNMNZ-UHFFFAOYSA-N 1 0 263.341 3.000 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@H+](CCC1CC1)CC1CC1 ZINC000886287036 637485000 /nfs/dbraw/zinc/48/50/00/637485000.db2.gz IVFXFCPMISKYAD-UHFFFAOYSA-N 1 0 275.352 3.002 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000925689494 638569755 /nfs/dbraw/zinc/56/97/55/638569755.db2.gz ASMAYXJHQHBLKJ-NXEZZACHSA-N 1 0 268.744 3.405 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000926797612 638813466 /nfs/dbraw/zinc/81/34/66/638813466.db2.gz VEOCYQICHLPULW-CABCVRRESA-N 1 0 292.379 3.054 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927025711 638833312 /nfs/dbraw/zinc/83/33/12/638833312.db2.gz YKPNNSGOWDSMEX-IUODEOHRSA-N 1 0 278.352 3.205 20 5 CGBDRO COC[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000927094533 638840926 /nfs/dbraw/zinc/84/09/26/638840926.db2.gz NVSLVQIYGRMNBT-WFASDCNBSA-N 1 0 292.379 3.090 20 5 CGBDRO COC[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000927096053 638841367 /nfs/dbraw/zinc/84/13/67/638841367.db2.gz SSNVERLGMKXYFQ-RYUDHWBXSA-N 1 0 298.358 3.303 20 5 CGBDRO C[C@@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000927120948 638845373 /nfs/dbraw/zinc/84/53/73/638845373.db2.gz XJOXIDLQEQXVLJ-KYOSRNDESA-N 1 0 260.337 3.436 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930208459 638983112 /nfs/dbraw/zinc/98/31/12/638983112.db2.gz QFQIHORSBSOSNE-RFQIPJPRSA-N 1 0 292.379 3.449 20 5 CGBDRO CSCC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000932590471 639361835 /nfs/dbraw/zinc/36/18/35/639361835.db2.gz NBZIQWXRPDTUIU-UHFFFAOYSA-N 1 0 294.420 3.478 20 5 CGBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158656183 640012994 /nfs/dbraw/zinc/01/29/94/640012994.db2.gz FINBKVZJZIZWAL-ZOWXZIJZSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774241 640802280 /nfs/dbraw/zinc/80/22/80/640802280.db2.gz ZIQMHCDJQRDVRJ-LBPRGKRZSA-N 1 0 266.316 3.498 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000250918373 640818671 /nfs/dbraw/zinc/81/86/71/640818671.db2.gz KQXWYSBTUDZFES-OSAQELSMSA-N 1 0 278.352 3.121 20 5 CGBDRO C(Nc1cccc2nc3ccccc3nc21)=C1CC[NH2+]CC1 ZINC001159728292 806162276 /nfs/dbraw/zinc/16/22/76/806162276.db2.gz VCOKVULGICHVMQ-UHFFFAOYSA-N 1 0 290.370 3.462 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(C)C1 ZINC001254539605 806446160 /nfs/dbraw/zinc/44/61/60/806446160.db2.gz FUUZBAPDMDCNMO-LLVKDONJSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(C)C1 ZINC001254539606 806446817 /nfs/dbraw/zinc/44/68/17/806446817.db2.gz FUUZBAPDMDCNMO-NSHDSACASA-N 1 0 262.353 3.304 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552002 806448164 /nfs/dbraw/zinc/44/81/64/806448164.db2.gz HVNMKVOXDFUUGW-NWDGAFQWSA-N 1 0 250.342 3.256 20 5 CGBDRO CCCC[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550588 806448266 /nfs/dbraw/zinc/44/82/66/806448266.db2.gz MNBBJZWWZWNQNC-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001254560712 806451520 /nfs/dbraw/zinc/45/15/20/806451520.db2.gz WRULJSPMEQREJU-SMDDNHRTSA-N 1 0 296.317 3.257 20 5 CGBDRO CCOC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561643 806451661 /nfs/dbraw/zinc/45/16/61/806451661.db2.gz HMUPUOOKKXGDGI-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254567475 806452714 /nfs/dbraw/zinc/45/27/14/806452714.db2.gz ONNHYBZJYSQFLL-GXFFZTMASA-N 1 0 288.372 3.474 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254570845 806453008 /nfs/dbraw/zinc/45/30/08/806453008.db2.gz PXYWTEHGSVICMI-DIOULYMOSA-N 1 0 274.364 3.230 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](CC1CC1)C1CC1 ZINC001254567545 806453506 /nfs/dbraw/zinc/45/35/06/806453506.db2.gz WNLPZGYOMNMEIU-LBPRGKRZSA-N 1 0 274.364 3.400 20 5 CGBDRO CC(C)C([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)C ZINC001254576579 806454254 /nfs/dbraw/zinc/45/42/54/806454254.db2.gz XWWZHRUJUIUNTR-CQSZACIVSA-N 1 0 276.380 3.332 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H](O)c1ccco1 ZINC001162262133 806544485 /nfs/dbraw/zinc/54/44/85/806544485.db2.gz XNWFXLLVWZABHQ-INIZCTEOSA-N 1 0 289.399 3.021 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000688266379 799744449 /nfs/dbraw/zinc/74/44/49/799744449.db2.gz DGWPSJFOYSZJRH-LLVKDONJSA-N 1 0 296.754 3.049 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H](C)CC(F)F)cccc1[N+](=O)[O-] ZINC000697348143 799846107 /nfs/dbraw/zinc/84/61/07/799846107.db2.gz QWCHMQNXGRQRNS-VIFPVBQESA-N 1 0 272.295 3.284 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000704813965 799941536 /nfs/dbraw/zinc/94/15/36/799941536.db2.gz KAROLKXGELCDQX-NWDGAFQWSA-N 1 0 280.393 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000711634045 800068018 /nfs/dbraw/zinc/06/80/18/800068018.db2.gz NHCFKQCEMAFJHG-PHIMTYICSA-N 1 0 298.795 3.043 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000718738506 800220845 /nfs/dbraw/zinc/22/08/45/800220845.db2.gz YPZQJKSFOHDHJL-UKRRQHHQSA-N 1 0 278.352 3.032 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000720229567 800253766 /nfs/dbraw/zinc/25/37/66/800253766.db2.gz ROSQGIIYSXPMIN-VIFPVBQESA-N 1 0 286.759 3.151 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000720259566 800255194 /nfs/dbraw/zinc/25/51/94/800255194.db2.gz SMTOCIXEPPOUET-VXGBXAGGSA-N 1 0 280.368 3.367 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000779346322 800388130 /nfs/dbraw/zinc/38/81/30/800388130.db2.gz WGVJSLPJFSLCIQ-SCZZXKLOSA-N 1 0 289.162 3.439 20 5 CGBDRO Cc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001116032785 802293831 /nfs/dbraw/zinc/29/38/31/802293831.db2.gz QFXHSKVWODBPHN-UKRRQHHQSA-N 1 0 277.368 3.188 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC[C@@H](F)C3)nc2c1 ZINC001119304274 802645593 /nfs/dbraw/zinc/64/55/93/802645593.db2.gz RHCDPTOZGFXRTA-ZJUUUORDSA-N 1 0 293.298 3.106 20 5 CGBDRO C[N@@H+]1CC[C@H](Nc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001167278436 807174892 /nfs/dbraw/zinc/17/48/92/807174892.db2.gz KRVFULGLINRFDJ-LBPRGKRZSA-N 1 0 277.368 3.008 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCC1(F)CCOCC1 ZINC001168125958 807316563 /nfs/dbraw/zinc/31/65/63/807316563.db2.gz KQCFLBKLIMOXHZ-UHFFFAOYSA-N 1 0 295.422 3.214 20 5 CGBDRO C[C@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC001168423730 807410834 /nfs/dbraw/zinc/41/08/34/807410834.db2.gz PNZUMRQDCDILDW-CYBMUJFWSA-N 1 0 292.379 3.342 20 5 CGBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960789 807541653 /nfs/dbraw/zinc/54/16/53/807541653.db2.gz HCIGGWDSRFJOJJ-HIFRSBDPSA-N 1 0 287.363 3.026 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168972879 807544231 /nfs/dbraw/zinc/54/42/31/807544231.db2.gz BWZQFIRYLNTICU-NVBFEUDRSA-N 1 0 298.333 3.451 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC001168976335 807544691 /nfs/dbraw/zinc/54/46/91/807544691.db2.gz CUVAPZSZMXITBT-YVLXSGLVSA-N 1 0 294.782 3.362 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1Cl ZINC001168975570 807544911 /nfs/dbraw/zinc/54/49/11/807544911.db2.gz WHYSCLMMEBXXJB-QWHCGFSZSA-N 1 0 282.771 3.183 20 5 CGBDRO CCCc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977178 807545164 /nfs/dbraw/zinc/54/51/64/807545164.db2.gz IWBLIXFUDSUUCT-JKSUJKDBSA-N 1 0 276.380 3.174 20 5 CGBDRO [NH2+]=C(N[C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168986944 807547115 /nfs/dbraw/zinc/54/71/15/807547115.db2.gz GLVYZIXYOYTEJE-GXTWGEPZSA-N 1 0 297.358 3.200 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001168987934 807548218 /nfs/dbraw/zinc/54/82/18/807548218.db2.gz LKROFQPLNCSNKE-DZKIICNBSA-N 1 0 276.380 3.399 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001169001694 807548970 /nfs/dbraw/zinc/54/89/70/807548970.db2.gz HNLXMEMBNZMCTJ-QSPRXWTASA-N 1 0 288.391 3.358 20 5 CGBDRO CC(C)(Cc1cccc(F)c1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999026 807549334 /nfs/dbraw/zinc/54/93/34/807549334.db2.gz RAJCALHAMCMRTH-HIFRSBDPSA-N 1 0 294.370 3.182 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001169003533 807550106 /nfs/dbraw/zinc/55/01/06/807550106.db2.gz NWXJVEJBZQZPRZ-NUEKZKHPSA-N 1 0 276.380 3.481 20 5 CGBDRO Cc1cccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169002551 807550362 /nfs/dbraw/zinc/55/03/62/807550362.db2.gz LAIDGNGCRMSLGG-DZGCQCFKSA-N 1 0 274.364 3.019 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(Cl)ccn1 ZINC001169006255 807550489 /nfs/dbraw/zinc/55/04/89/807550489.db2.gz WWMVIYQYLQSLCK-JQWIXIFHSA-N 1 0 297.786 3.005 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011098 807552032 /nfs/dbraw/zinc/55/20/32/807552032.db2.gz IKEGUWPUUQDOHC-ZIAGYGMSSA-N 1 0 266.385 3.088 20 5 CGBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1C[C@H]1c1ccccc1)C[NH2+]C2 ZINC001169813650 807712535 /nfs/dbraw/zinc/71/25/35/807712535.db2.gz YBXDRELUWKCZBK-LSDHHAIUSA-N 1 0 295.342 3.166 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]cc1C1CC1)C2 ZINC001261894868 807799054 /nfs/dbraw/zinc/79/90/54/807799054.db2.gz NPLVBQBMTNBMIP-UHFFFAOYSA-N 1 0 281.315 3.387 20 5 CGBDRO COc1ccc(C[C@H](C)NC(=[NH2+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC001170299249 807819678 /nfs/dbraw/zinc/81/96/78/807819678.db2.gz TZVUTWAJHQCARL-JTQLQIEISA-N 1 0 293.367 3.147 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170298757 807820067 /nfs/dbraw/zinc/82/00/67/807820067.db2.gz NTGUIVNUJRLLAR-RAIGVLPGSA-N 1 0 296.342 3.015 20 5 CGBDRO CC[N@H+]([C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170329736 807827044 /nfs/dbraw/zinc/82/70/44/807827044.db2.gz SRDVEYRDZGWVNY-LLVKDONJSA-N 1 0 278.352 3.019 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC(F)(F)C1)CC2 ZINC001172896219 808474653 /nfs/dbraw/zinc/47/46/53/808474653.db2.gz NJEOITNSKPITBV-GFCCVEGCSA-N 1 0 296.317 3.230 20 5 CGBDRO CC(F)(F)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896767 808475007 /nfs/dbraw/zinc/47/50/07/808475007.db2.gz RPTSLCGYFGPXOD-LBPRGKRZSA-N 1 0 284.306 3.087 20 5 CGBDRO CC[C@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180906 808533241 /nfs/dbraw/zinc/53/32/41/808533241.db2.gz ZFOFOKRQSUIONF-VHSXEESVSA-N 1 0 284.331 3.062 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C(C)(C)C)c1F ZINC001173176156 808533305 /nfs/dbraw/zinc/53/33/05/808533305.db2.gz ZBYJXNLEORPZKE-VIFPVBQESA-N 1 0 284.331 3.062 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC001173210350 808537779 /nfs/dbraw/zinc/53/77/79/808537779.db2.gz JNDVRUHRLLJYKJ-SLEUVZQESA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC001173211625 808537906 /nfs/dbraw/zinc/53/79/06/808537906.db2.gz UNHLSKNUZBKDNW-CYZMBNFOSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(F)c1 ZINC001173217352 808538574 /nfs/dbraw/zinc/53/85/74/808538574.db2.gz UIQZQIAXOFBOPA-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO CC[C@H](C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213125 808538881 /nfs/dbraw/zinc/53/88/81/808538881.db2.gz DTHUZGDVMAHTTC-NWDGAFQWSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001173226106 808541264 /nfs/dbraw/zinc/54/12/64/808541264.db2.gz HQUHOGLQMFGUKT-BBRMVZONSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC001173226502 808541469 /nfs/dbraw/zinc/54/14/69/808541469.db2.gz MFCJULCRWFIWBS-STQMWFEESA-N 1 0 262.353 3.400 20 5 CGBDRO Cc1cc(Nc2ccc([N+](=O)[O-])cc2)n(-c2cc[nH+]cc2)n1 ZINC001174476846 809032293 /nfs/dbraw/zinc/03/22/93/809032293.db2.gz ASUFFOFHOLEJSG-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO COc1ccc(C[NH2+]CC2(CC3CC3)CC2)cc1[N+](=O)[O-] ZINC001179464040 809923535 /nfs/dbraw/zinc/92/35/35/809923535.db2.gz NVLHYMSMUIAAJP-UHFFFAOYSA-N 1 0 290.363 3.273 20 5 CGBDRO CNc1cc(CNc2cc(C)c([N+](=O)[O-])cc2F)ccn1 ZINC001187685634 810416273 /nfs/dbraw/zinc/41/62/73/810416273.db2.gz AJWQGXLSZMVPBD-UHFFFAOYSA-N 1 0 290.298 3.091 20 5 CGBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001192481664 810803072 /nfs/dbraw/zinc/80/30/72/810803072.db2.gz OLIIVGHQEBTFRS-ZDUSSCGKSA-N 1 0 292.379 3.342 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001194325232 811052742 /nfs/dbraw/zinc/05/27/42/811052742.db2.gz QNMOSYHDWJGXFH-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO C[NH+](C)Cc1ccccc1Nc1cc(O)cc([N+](=O)[O-])c1 ZINC001201224733 811800145 /nfs/dbraw/zinc/80/01/45/811800145.db2.gz SHKDYJYEJGLJBF-UHFFFAOYSA-N 1 0 287.319 3.106 20 5 CGBDRO [NH3+][C@H]1CN(Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001204891979 812766044 /nfs/dbraw/zinc/76/60/44/812766044.db2.gz RZGVEDNGQOAFBF-OALUTQOASA-N 1 0 294.373 3.474 20 5 CGBDRO Cc1cc(Nc2ccc(N)c([N+](=O)[O-])c2)c2ccccc2[nH+]1 ZINC001209931746 814203575 /nfs/dbraw/zinc/20/35/75/814203575.db2.gz DAXRYGVGCHTKMA-UHFFFAOYSA-N 1 0 294.314 3.199 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001217992643 816039142 /nfs/dbraw/zinc/03/91/42/816039142.db2.gz SMPGIDPYTTWWAP-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218067071 816084783 /nfs/dbraw/zinc/08/47/83/816084783.db2.gz QNFZYGAISXYODC-GOEBONIOSA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC23CC[NH2+]CC3)ccc1Cl ZINC001218084693 816089192 /nfs/dbraw/zinc/08/91/92/816089192.db2.gz IONVBDPCUXCBHE-ZDUSSCGKSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001218089045 816091106 /nfs/dbraw/zinc/09/11/06/816091106.db2.gz CWPKHDIKYTUXQN-HOTGVXAUSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090984 816092500 /nfs/dbraw/zinc/09/25/00/816092500.db2.gz JOYGXUPVDOYKFD-HZPDHXFCSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218096609 816096416 /nfs/dbraw/zinc/09/64/16/816096416.db2.gz UJKBRSNPXZTHEB-JSGCOSHPSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218096127 816096907 /nfs/dbraw/zinc/09/69/07/816096907.db2.gz SSXCPTRCAGTKQG-UONOGXRCSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218099137 816098377 /nfs/dbraw/zinc/09/83/77/816098377.db2.gz ZVSPLKBSBMBRRG-BBRMVZONSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1Cl ZINC001218144459 816113203 /nfs/dbraw/zinc/11/32/03/816113203.db2.gz SWKCNPIFHLBGNG-JFGNBEQYSA-N 1 0 296.754 3.015 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1C=CC[NH2+]C1 ZINC001218331553 816170359 /nfs/dbraw/zinc/17/03/59/816170359.db2.gz RUXCDTSUDCGGSR-OAHLLOKOSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218385808 816185507 /nfs/dbraw/zinc/18/55/07/816185507.db2.gz LVIWMFHSPPBUKD-BDJLRTHQSA-N 1 0 264.328 3.127 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001218394669 816189691 /nfs/dbraw/zinc/18/96/91/816189691.db2.gz YZFGNHKJXFGOKH-ZBEGNZNMSA-N 1 0 284.315 3.001 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@H](C)[NH2+]C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218408780 816200481 /nfs/dbraw/zinc/20/04/81/816200481.db2.gz SWNBROYWGOGYFL-GXFFZTMASA-N 1 0 278.352 3.039 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001218476619 816234106 /nfs/dbraw/zinc/23/41/06/816234106.db2.gz IZXZWDOHERRHPZ-GFCCVEGCSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H](OC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707220 816859963 /nfs/dbraw/zinc/85/99/63/816859963.db2.gz PBRXVLKEYDGAOL-CHWSQXEVSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](OC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707984 816861176 /nfs/dbraw/zinc/86/11/76/816861176.db2.gz UZBHGVCRJVPCNL-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](OCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001224743639 816870780 /nfs/dbraw/zinc/87/07/80/816870780.db2.gz DGTALJILZMMJLI-ZDUSSCGKSA-N 1 0 278.352 3.158 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)cccc1Cl ZINC001225207995 816961187 /nfs/dbraw/zinc/96/11/87/816961187.db2.gz VXGYAQCUEOOFHZ-VIFPVBQESA-N 1 0 263.188 3.467 20 5 CGBDRO CCc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1Cl ZINC001225316445 817007885 /nfs/dbraw/zinc/00/78/85/817007885.db2.gz FMFWRPFTAHWLCU-NSHDSACASA-N 1 0 256.797 3.376 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001225681605 817139681 /nfs/dbraw/zinc/13/96/81/817139681.db2.gz CKPUOGWYVJFCLP-ZDUSSCGKSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1 ZINC001225681200 817139958 /nfs/dbraw/zinc/13/99/58/817139958.db2.gz OEZDORGNICXESR-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761843 817457101 /nfs/dbraw/zinc/45/71/01/817457101.db2.gz HJRZFEVHLQIDEU-NSHDSACASA-N 1 0 284.743 3.110 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227214677 817594370 /nfs/dbraw/zinc/59/43/70/817594370.db2.gz OKGMDXCHNALHJP-CYBMUJFWSA-N 1 0 286.331 3.221 20 5 CGBDRO CCCCOC(=O)c1ccccc1O[C@H](C)C[N+](C)(C)C ZINC001228212476 817839130 /nfs/dbraw/zinc/83/91/30/817839130.db2.gz RIFCZWDJPJDJDM-CQSZACIVSA-N 1 0 294.415 3.117 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001228231126 817845175 /nfs/dbraw/zinc/84/51/75/817845175.db2.gz ZPNDWHCIBFFUPR-CYBMUJFWSA-N 1 0 278.352 3.073 20 5 CGBDRO Cc1cccc2ccc(O[C@H](C)C[N+](C)(C)C)nc12 ZINC001228633873 817957401 /nfs/dbraw/zinc/95/74/01/817957401.db2.gz RSKCRPMCNYQPRK-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228759241 818002048 /nfs/dbraw/zinc/00/20/48/818002048.db2.gz YEPATULBBDCPJY-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO C1=CC[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219635 818282103 /nfs/dbraw/zinc/28/21/03/818282103.db2.gz XJMVALFWWXTQFE-UHFFFAOYSA-N 1 0 261.328 3.155 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3CCCOCC3)nc12 ZINC001232219001 818283483 /nfs/dbraw/zinc/28/34/83/818283483.db2.gz KLJPFMGSIJLIFK-UHFFFAOYSA-N 1 0 293.370 3.005 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC=CCC1)C2 ZINC001341569607 936442814 /nfs/dbraw/zinc/44/28/14/936442814.db2.gz RNJABSUUORFKRW-LBPRGKRZSA-N 1 0 258.321 3.267 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC001350441390 936991196 /nfs/dbraw/zinc/99/11/96/936991196.db2.gz RYTKUTJODMXKDT-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C[NH+](C)CCSc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001353200994 937059774 /nfs/dbraw/zinc/05/97/74/937059774.db2.gz KCZBUNUXKVQZEO-UHFFFAOYSA-N 1 0 294.298 3.267 20 5 CGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccsc1[N+](=O)[O-] ZINC001458488499 937464981 /nfs/dbraw/zinc/46/49/81/937464981.db2.gz GXPUDFZNWZMQRK-LLVKDONJSA-N 1 0 283.397 3.189 20 5 CGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccsc1[N+](=O)[O-] ZINC001458488503 937465226 /nfs/dbraw/zinc/46/52/26/937465226.db2.gz GXPUDFZNWZMQRK-NSHDSACASA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001458492898 937465467 /nfs/dbraw/zinc/46/54/67/937465467.db2.gz ZLHBBTMYTXJEMV-GJZGRUSLSA-N 1 0 289.379 3.188 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc2ccccc2nc1Cl ZINC001229129428 932102031 /nfs/dbraw/zinc/10/20/31/932102031.db2.gz OQWDQOOHFOFPBU-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[C@H](C)O1 ZINC001461639154 937589997 /nfs/dbraw/zinc/58/99/97/937589997.db2.gz ZZGBOOONXLTWIL-GXTWGEPZSA-N 1 0 292.379 3.259 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC001230143817 932535550 /nfs/dbraw/zinc/53/55/50/932535550.db2.gz PJGRMJIKYKQGAL-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC001230472024 932575886 /nfs/dbraw/zinc/57/58/86/932575886.db2.gz YXUFWGAQEBVVFW-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C)CC1 ZINC001231058562 932668761 /nfs/dbraw/zinc/66/87/61/932668761.db2.gz BEUBIYSRFGCHRS-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO COC1(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001331725184 932715551 /nfs/dbraw/zinc/71/55/51/932715551.db2.gz LHQOKNHKYCPLBW-UHFFFAOYSA-N 1 0 292.379 3.076 20 5 CGBDRO CC(C)[C@H](O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001307431365 932950736 /nfs/dbraw/zinc/95/07/36/932950736.db2.gz XRSMULYWTXCXRX-MRXNPFEDSA-N 1 0 294.395 3.212 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001307633652 932978441 /nfs/dbraw/zinc/97/84/41/932978441.db2.gz IIKPCBJISKBQAN-NJZAAPMLSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(CC3CC3)CC2)c(F)c1 ZINC001462545625 937649013 /nfs/dbraw/zinc/64/90/13/937649013.db2.gz IGTJDRVUNCUXTM-UHFFFAOYSA-N 1 0 278.327 3.404 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(CO)CCCCCCC2)c1 ZINC001308016011 933033532 /nfs/dbraw/zinc/03/35/32/933033532.db2.gz CIPZIZRYCWOMNS-UHFFFAOYSA-N 1 0 292.379 3.160 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001308068870 933042881 /nfs/dbraw/zinc/04/28/81/933042881.db2.gz RHBKHTUDEAZDSK-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)CC(C)C ZINC001308613536 933143793 /nfs/dbraw/zinc/14/37/93/933143793.db2.gz KDHIJBXVQVHKON-UHFFFAOYSA-N 1 0 250.342 3.299 20 5 CGBDRO CCCC[N@H+](CC[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC001473182109 937796156 /nfs/dbraw/zinc/79/61/56/937796156.db2.gz VEMJWBPVPSOBIV-CYBMUJFWSA-N 1 0 250.342 3.126 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C/C=C\C1CC1 ZINC001327869675 935092600 /nfs/dbraw/zinc/09/26/00/935092600.db2.gz ZWQLPPGTCNERRC-XKSOLRDRSA-N 1 0 258.321 3.164 20 5 CGBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335512230 936150448 /nfs/dbraw/zinc/15/04/48/936150448.db2.gz HDTAFPUXDFBTCL-CFVMTHIKSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC001335950173 936168880 /nfs/dbraw/zinc/16/88/80/936168880.db2.gz QDUDEDWETFELAL-QWHCGFSZSA-N 1 0 266.316 3.274 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]CCc2ccc(F)cc2)c1 ZINC001337411756 936257254 /nfs/dbraw/zinc/25/72/54/936257254.db2.gz CDHQPPFLPSZVIM-UHFFFAOYSA-N 1 0 288.322 3.109 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC001337492212 936264065 /nfs/dbraw/zinc/26/40/65/936264065.db2.gz GDMRXBCMEAUCEW-LBPRGKRZSA-N 1 0 265.357 3.127 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001474705938 937876053 /nfs/dbraw/zinc/87/60/53/937876053.db2.gz GFJAJJAQMPGJJD-LVGORTOPSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001517935891 938013288 /nfs/dbraw/zinc/01/32/88/938013288.db2.gz WKADDBZWIIIJLO-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC001559913671 938238613 /nfs/dbraw/zinc/23/86/13/938238613.db2.gz RHYQLTXUUSTXLK-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC001560319526 938252723 /nfs/dbraw/zinc/25/27/23/938252723.db2.gz LAUHNKMTDUURBW-CYBMUJFWSA-N 1 0 293.411 3.032 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OC(F)(F)F)cc1F ZINC001230567247 957848271 /nfs/dbraw/zinc/84/82/71/957848271.db2.gz GTNLDQIDHUWOTH-VIFPVBQESA-N 1 0 296.284 3.198 20 5 CGBDRO C[C@@H]([NH3+])[C@@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001576102662 962435273 /nfs/dbraw/zinc/43/52/73/962435273.db2.gz GTQGBOFMXIKBJV-PHDIDXHHSA-N 1 0 278.139 3.049 20 5 CGBDRO O=C(NC[C@@H]1CC[NH2+]1)c1c2ccccc2cc2ccccc21 ZINC001580660563 962731859 /nfs/dbraw/zinc/73/18/59/962731859.db2.gz CCWLJRALQQITDH-HNNXBMFYSA-N 1 0 290.366 3.085 20 5 CGBDRO CC(C)CC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000350684892 219048197 /nfs/dbraw/zinc/04/81/97/219048197.db2.gz MFMVZVOTQCSETQ-UHFFFAOYSA-N 1 0 294.399 3.082 20 5 CGBDRO COc1ccc(C[NH+]2CCC(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000590008181 346821625 /nfs/dbraw/zinc/82/16/25/346821625.db2.gz HXNDPIDLJICKBN-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@@H](CF)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590370081 346844941 /nfs/dbraw/zinc/84/49/41/346844941.db2.gz VFKQMPYMOCQENW-OUCADQQQSA-N 1 0 280.343 3.254 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000337986137 214345058 /nfs/dbraw/zinc/34/50/58/214345058.db2.gz AHPNCISNOPHMAX-UONOGXRCSA-N 1 0 290.363 3.272 20 5 CGBDRO CC[C@@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000173315525 529495138 /nfs/dbraw/zinc/49/51/38/529495138.db2.gz XURDPHQZOLBEFL-ZFWWWQNUSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000591255942 346912279 /nfs/dbraw/zinc/91/22/79/346912279.db2.gz LVARVAVKFGFREL-AUTRQRHGSA-N 1 0 270.279 3.289 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CC1(F)F ZINC000591255945 346912434 /nfs/dbraw/zinc/91/24/34/346912434.db2.gz LVARVAVKFGFREL-YGOYTEALSA-N 1 0 270.279 3.289 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)c(F)c1 ZINC000338760400 214756463 /nfs/dbraw/zinc/75/64/63/214756463.db2.gz ZOCKQNRZRAAPQB-UHFFFAOYSA-N 1 0 295.358 3.412 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000163394233 529614563 /nfs/dbraw/zinc/61/45/63/529614563.db2.gz JIUXDMDVGQYETL-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cs1 ZINC000290375323 197688621 /nfs/dbraw/zinc/68/86/21/197688621.db2.gz HRULDUKDRWVQSW-VHDGCEQUSA-N 1 0 286.356 3.084 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000592395431 346983001 /nfs/dbraw/zinc/98/30/01/346983001.db2.gz BGLFYHWLIKWKEO-SGMGOOAPSA-N 1 0 280.368 3.043 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CCC2)CC1 ZINC000593084071 347037377 /nfs/dbraw/zinc/03/73/77/347037377.db2.gz MBCIZOSXSGBRML-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO Cc1ccc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC000040624230 344965018 /nfs/dbraw/zinc/96/50/18/344965018.db2.gz BWRNXHSBRPQGBN-ZDUSSCGKSA-N 1 0 277.368 3.045 20 5 CGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000036970962 344946421 /nfs/dbraw/zinc/94/64/21/344946421.db2.gz QLBYLBLSZZBANH-JTQLQIEISA-N 1 0 297.786 3.390 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2Cc3ccccc32)c1 ZINC000037565684 344951237 /nfs/dbraw/zinc/95/12/37/344951237.db2.gz ZIDZJAGUQVAVFL-CQSZACIVSA-N 1 0 268.316 3.024 20 5 CGBDRO CC(C)C[C@@H](CNc1ccsc1[N+](=O)[O-])[NH+](C)C ZINC000063257706 345244929 /nfs/dbraw/zinc/24/49/29/345244929.db2.gz HMACPFRBWSOKHF-JTQLQIEISA-N 1 0 271.386 3.045 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063302134 345245833 /nfs/dbraw/zinc/24/58/33/345245833.db2.gz SQROCXNFOLLECH-CQSZACIVSA-N 1 0 292.379 3.486 20 5 CGBDRO CC(C)(C)CC[NH+]1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000064029780 345256795 /nfs/dbraw/zinc/25/67/95/345256795.db2.gz FDGJUBYDONZDPZ-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(C)C ZINC000065299600 345271260 /nfs/dbraw/zinc/27/12/60/345271260.db2.gz RMBUQQBWWNJNHK-LBPRGKRZSA-N 1 0 250.342 3.461 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CF)CC1 ZINC000295111809 199350333 /nfs/dbraw/zinc/35/03/33/199350333.db2.gz IPJKBUXVYNJONO-LLVKDONJSA-N 1 0 266.316 3.337 20 5 CGBDRO Cc1cnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c([N+](=O)[O-])c1 ZINC000078628430 345616570 /nfs/dbraw/zinc/61/65/70/345616570.db2.gz OLUGDHBXDYOLOH-UHFFFAOYSA-N 1 0 292.383 3.019 20 5 CGBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000079809000 345655726 /nfs/dbraw/zinc/65/57/26/345655726.db2.gz VQLHSEGPVMZDRZ-AWEZNQCLSA-N 1 0 289.335 3.211 20 5 CGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000080652675 345681518 /nfs/dbraw/zinc/68/15/18/345681518.db2.gz XBBNQXOKDZXDMW-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO CC1(C)CCC(O)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000087047134 345752807 /nfs/dbraw/zinc/75/28/07/345752807.db2.gz SIZRPKQLWGMDIX-UHFFFAOYSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083216328 345725006 /nfs/dbraw/zinc/72/50/06/345725006.db2.gz BKQVAJNEUBEWFC-WDEREUQCSA-N 1 0 289.335 3.356 20 5 CGBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000083207781 345725110 /nfs/dbraw/zinc/72/51/10/345725110.db2.gz RBYRDGKHBCXUCN-UHFFFAOYSA-N 1 0 289.335 3.499 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2Cc3ccccc32)cc1 ZINC000090976452 345799103 /nfs/dbraw/zinc/79/91/03/345799103.db2.gz WBNTZJPXUWCJMQ-OAHLLOKOSA-N 1 0 282.343 3.067 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000091097046 345804114 /nfs/dbraw/zinc/80/41/14/345804114.db2.gz UTXOCTSHTVLIPD-NSHDSACASA-N 1 0 286.372 3.307 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000096610351 345903770 /nfs/dbraw/zinc/90/37/70/345903770.db2.gz VWIIGIHNYQKAKI-NSHDSACASA-N 1 0 250.342 3.367 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116274001 345976716 /nfs/dbraw/zinc/97/67/16/345976716.db2.gz JPLYPWGOURYUFT-VIFPVBQESA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000159961683 346169501 /nfs/dbraw/zinc/16/95/01/346169501.db2.gz CYVXSFIPNTVUFN-NEPJUHHUSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172957300 346232233 /nfs/dbraw/zinc/23/22/33/346232233.db2.gz DTKSJFJAGOTCMB-LEWSCRJBSA-N 1 0 260.337 3.244 20 5 CGBDRO CS[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235209265 346334418 /nfs/dbraw/zinc/33/44/18/346334418.db2.gz QBHUCLJHWXBXHT-ZFWWWQNUSA-N 1 0 294.420 3.401 20 5 CGBDRO CC[C@@H]([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000227657195 346310790 /nfs/dbraw/zinc/31/07/90/346310790.db2.gz LZNKXZMSMQTJFR-VDSRIPIWSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000317659639 346486907 /nfs/dbraw/zinc/48/69/07/346486907.db2.gz CYHIFZUQEQNYRV-INIZCTEOSA-N 1 0 297.358 3.200 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1NCC[NH+]1CCCCC1 ZINC000313986528 346481325 /nfs/dbraw/zinc/48/13/25/346481325.db2.gz QSFZDUGJUCWHKL-UHFFFAOYSA-N 1 0 299.321 3.430 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000322796906 346489929 /nfs/dbraw/zinc/48/99/29/346489929.db2.gz OZUQCPLBEDOLLX-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1(C(F)F)CC1 ZINC000584790913 346714946 /nfs/dbraw/zinc/71/49/46/346714946.db2.gz XRDDSBMMOFBRLK-LLVKDONJSA-N 1 0 282.290 3.217 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CC3(CCC3)C2)cs1 ZINC000593688290 347103526 /nfs/dbraw/zinc/10/35/26/347103526.db2.gz OKLOKFHWNHTGBG-UHFFFAOYSA-N 1 0 252.339 3.079 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593698802 347105662 /nfs/dbraw/zinc/10/56/62/347105662.db2.gz XGUKNQBMQQMBLZ-ZDUSSCGKSA-N 1 0 282.290 3.134 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000593715057 347106340 /nfs/dbraw/zinc/10/63/40/347106340.db2.gz JWYPSGAMWQZFHV-WHOFXGATSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])s2)CC1 ZINC000589568917 346800581 /nfs/dbraw/zinc/80/05/81/346800581.db2.gz DRXJHZUZYVLAOL-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO CC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594045269 347144140 /nfs/dbraw/zinc/14/41/40/347144140.db2.gz UWLSHXHRIKPPGB-NWDGAFQWSA-N 1 0 284.381 3.094 20 5 CGBDRO CC(C)c1ccc(C[N@@H+](C[C@H](C)O)C2CC2)cc1[N+](=O)[O-] ZINC000594614364 347204042 /nfs/dbraw/zinc/20/40/42/347204042.db2.gz GBKNGHWWHLEROL-LBPRGKRZSA-N 1 0 292.379 3.063 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594508161 347182362 /nfs/dbraw/zinc/18/23/62/347182362.db2.gz SEBIRHOEBFHHCJ-XDTLVQLUSA-N 1 0 278.377 3.066 20 5 CGBDRO CC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC=CC1 ZINC000594512102 347184261 /nfs/dbraw/zinc/18/42/61/347184261.db2.gz TUWOBSOVORXQHO-VURMDHGXSA-N 1 0 258.321 3.306 20 5 CGBDRO COC1([C@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594514921 347185457 /nfs/dbraw/zinc/18/54/57/347185457.db2.gz BPZLYLZYCLYFHA-SMDDNHRTSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594516258 347186719 /nfs/dbraw/zinc/18/67/19/347186719.db2.gz VFIZGXASMMNZGQ-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725806 347214390 /nfs/dbraw/zinc/21/43/90/347214390.db2.gz XTMBMBALHMSCFJ-IUODEOHRSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594978164 347247250 /nfs/dbraw/zinc/24/72/50/347247250.db2.gz QNQGRWFDWUJMJA-GFCCVEGCSA-N 1 0 270.279 3.120 20 5 CGBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000595289615 347287149 /nfs/dbraw/zinc/28/71/49/347287149.db2.gz FWMFOOYIAONOOF-UHFFFAOYSA-N 1 0 267.329 3.046 20 5 CGBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595297248 347288649 /nfs/dbraw/zinc/28/86/49/347288649.db2.gz KZJRHPJKQUFNKI-DRZSPHRISA-N 1 0 293.367 3.292 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000595317008 347291160 /nfs/dbraw/zinc/29/11/60/347291160.db2.gz KQZOPJKPSMILMP-LBPRGKRZSA-N 1 0 290.294 3.316 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595341009 347293952 /nfs/dbraw/zinc/29/39/52/347293952.db2.gz ZYLVNLGZELEHPN-NXEZZACHSA-N 1 0 252.289 3.107 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000595005124 347254386 /nfs/dbraw/zinc/25/43/86/347254386.db2.gz DAKJGXKJXLPMKB-QWRGUYRKSA-N 1 0 278.352 3.300 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCCSC1 ZINC000595012208 347256633 /nfs/dbraw/zinc/25/66/33/347256633.db2.gz LFTPOWORYYEOBB-WDEREUQCSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CC1(C)C ZINC000595023399 347260392 /nfs/dbraw/zinc/26/03/92/347260392.db2.gz QPBMWQBTNRUELX-NOZJJQNGSA-N 1 0 264.325 3.053 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000595039089 347265423 /nfs/dbraw/zinc/26/54/23/347265423.db2.gz NFZJGRUOKLXHMR-TVQRCGJNSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000595047250 347268504 /nfs/dbraw/zinc/26/85/04/347268504.db2.gz CPTXDGZSTANWMC-MLGOLLRUSA-N 1 0 297.358 3.370 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](OC)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595421801 347300939 /nfs/dbraw/zinc/30/09/39/347300939.db2.gz VJBLGJVEZIVETM-HOTGVXAUSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595779708 347355082 /nfs/dbraw/zinc/35/50/82/347355082.db2.gz GMQQQINCAGBPNH-AGIUHOORSA-N 1 0 278.352 3.155 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595427439 347302095 /nfs/dbraw/zinc/30/20/95/347302095.db2.gz YESGVHQNXOFDBZ-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595809854 347357354 /nfs/dbraw/zinc/35/73/54/347357354.db2.gz JUDPJVHGWOWNLR-AVGNSLFASA-N 1 0 260.337 3.306 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000595519635 347315279 /nfs/dbraw/zinc/31/52/79/347315279.db2.gz ASZIOAATJGSVLU-TXEJJXNPSA-N 1 0 278.327 3.356 20 5 CGBDRO CCOc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000595565615 347320389 /nfs/dbraw/zinc/32/03/89/347320389.db2.gz BYVNOBXDCLOUEW-KBPBESRZSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1cc(NC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])s1 ZINC000596065077 347378930 /nfs/dbraw/zinc/37/89/30/347378930.db2.gz BWDAWQOMHHKEJQ-UHFFFAOYSA-N 1 0 281.381 3.003 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CC(C)C1 ZINC000598680035 347678803 /nfs/dbraw/zinc/67/88/03/347678803.db2.gz RCUGSCKOYAPLPI-MOENNCHZSA-N 1 0 278.352 3.300 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC1 ZINC000598954719 347700859 /nfs/dbraw/zinc/70/08/59/347700859.db2.gz FSKWUEQVBYVQCU-SWHYSGLUSA-N 1 0 260.337 3.119 20 5 CGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598994637 347705016 /nfs/dbraw/zinc/70/50/16/347705016.db2.gz DWAHHDJBULIXSP-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO CO[C@H]1C[C@@H](C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000599018338 347706690 /nfs/dbraw/zinc/70/66/90/347706690.db2.gz VUPIIEBPWKLMMR-BGMVFAKKSA-N 1 0 290.363 3.013 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CCC(C)C)cccc1[N+](=O)[O-] ZINC000599068053 347713222 /nfs/dbraw/zinc/71/32/22/347713222.db2.gz KGQWAHJNWWMLTL-KGLIPLIRSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CCC(C)C ZINC000599070249 347713735 /nfs/dbraw/zinc/71/37/35/347713735.db2.gz XQEKUBLATIZGKU-ZIAGYGMSSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC(F)(F)CN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599069385 347714140 /nfs/dbraw/zinc/71/41/40/347714140.db2.gz YHGFBMTUQXZYAW-LLVKDONJSA-N 1 0 270.279 3.217 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)C1 ZINC000599091843 347716264 /nfs/dbraw/zinc/71/62/64/347716264.db2.gz GOLLWFSJGYSNBA-IXPVHAAZSA-N 1 0 290.363 3.084 20 5 CGBDRO C[C@H]1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C[NH2+]1 ZINC000600788009 347835904 /nfs/dbraw/zinc/83/59/04/347835904.db2.gz CUMKTPLLIANLIJ-XHDPSFHLSA-N 1 0 283.331 3.122 20 5 CGBDRO C[C@@H]1[NH2+]CCO[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000600789324 347836205 /nfs/dbraw/zinc/83/62/05/347836205.db2.gz UMPIIFYPMWOXJF-YVEFUNNKSA-N 1 0 298.342 3.311 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C3CC[NH2+]CC3)cc2)cn1 ZINC000600789425 347836414 /nfs/dbraw/zinc/83/64/14/347836414.db2.gz SKKJIIALTLSTPE-UHFFFAOYSA-N 1 0 283.331 3.124 20 5 CGBDRO C[NH2+]CCc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000600792458 347837438 /nfs/dbraw/zinc/83/74/38/347837438.db2.gz YEFRXXPOAMOZIR-UHFFFAOYSA-N 1 0 270.332 3.332 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)F ZINC000601136930 347873856 /nfs/dbraw/zinc/87/38/56/347873856.db2.gz MWZPDUWXUVPTGO-YRNVUSSQSA-N 1 0 266.316 3.336 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCc3ncccc32)cc1 ZINC000601267304 347886702 /nfs/dbraw/zinc/88/67/02/347886702.db2.gz JAWJRRMABPOTQB-QGZVFWFLSA-N 1 0 297.358 3.200 20 5 CGBDRO CC1([NH+]2CCCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000601216331 347881739 /nfs/dbraw/zinc/88/17/39/347881739.db2.gz POVURLGXIHCNII-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000601963000 347929895 /nfs/dbraw/zinc/92/98/95/347929895.db2.gz HQZBXOOQCGFRDP-SMDDNHRTSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000602020192 347934063 /nfs/dbraw/zinc/93/40/63/347934063.db2.gz LCSRWBSNLPJVLH-ONGXEEELSA-N 1 0 270.279 3.037 20 5 CGBDRO CCCC[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602504392 347971269 /nfs/dbraw/zinc/97/12/69/347971269.db2.gz UWDMHHZSZKKVRC-UHFFFAOYSA-N 1 0 293.186 3.309 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CC34CCCC4)nc2c1 ZINC000602637770 347998579 /nfs/dbraw/zinc/99/85/79/347998579.db2.gz MSTMXIMMVNLBQD-ZDUSSCGKSA-N 1 0 287.319 3.158 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@H]1CC(C)C ZINC000602794014 348030122 /nfs/dbraw/zinc/03/01/22/348030122.db2.gz CMJDYNVNWIIDBQ-AWEZNQCLSA-N 1 0 294.399 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC(F)(F)C2)cc1 ZINC000602566212 347983309 /nfs/dbraw/zinc/98/33/09/347983309.db2.gz DXINLTKLDADYQV-GFCCVEGCSA-N 1 0 284.306 3.305 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000604409296 348119765 /nfs/dbraw/zinc/11/97/65/348119765.db2.gz RXJNPWWOSBOQQO-GHMZBOCLSA-N 1 0 283.397 3.189 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cs1 ZINC000609539824 348346983 /nfs/dbraw/zinc/34/69/83/348346983.db2.gz DVLORMWBGBMDPS-LLVKDONJSA-N 1 0 278.333 3.239 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000609964751 348359451 /nfs/dbraw/zinc/35/94/51/348359451.db2.gz BRVSVHFJNZMOBT-LBPRGKRZSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610832620 348405677 /nfs/dbraw/zinc/40/56/77/348405677.db2.gz WJHHZQWKCXWAKQ-FRRDWIJNSA-N 1 0 278.352 3.061 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610953942 348411431 /nfs/dbraw/zinc/41/14/31/348411431.db2.gz HOLVKPCKUZLHAN-YNEHKIRRSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610710557 348397998 /nfs/dbraw/zinc/39/79/98/348397998.db2.gz FDOKPIYOOJCWOR-CHWSQXEVSA-N 1 0 278.352 3.237 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000351971607 219270238 /nfs/dbraw/zinc/27/02/38/219270238.db2.gz UVINRCWSLAXJBM-LLVKDONJSA-N 1 0 266.341 3.080 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC3(CC3)CC2)cc1 ZINC000611177577 348426171 /nfs/dbraw/zinc/42/61/71/348426171.db2.gz NJFUQSAULPJYMA-UHFFFAOYSA-N 1 0 260.337 3.013 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3ccccc3)C2)cc1 ZINC000611177964 348426225 /nfs/dbraw/zinc/42/62/25/348426225.db2.gz HOVLKRADNKSKNF-UHFFFAOYSA-N 1 0 282.343 3.269 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@]1(C)CCCOC1 ZINC000357867648 233018535 /nfs/dbraw/zinc/01/85/35/233018535.db2.gz KWXVLHUOSDPFQD-CJNGLKHVSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204948 348428356 /nfs/dbraw/zinc/42/83/56/348428356.db2.gz CGQPJHHAELXBNT-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO CO[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611984083 348484762 /nfs/dbraw/zinc/48/47/62/348484762.db2.gz CGOOQNACXOYDFS-IJVDHGTGSA-N 1 0 290.363 3.109 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516480 348458115 /nfs/dbraw/zinc/45/81/15/348458115.db2.gz UKASTXCLTOTHLC-HIFRSBDPSA-N 1 0 292.379 3.465 20 5 CGBDRO C[C@H](CCNc1ccsc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000612113635 348495214 /nfs/dbraw/zinc/49/52/14/348495214.db2.gz NNCUPRISMPGJCF-LLVKDONJSA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358023811 233039789 /nfs/dbraw/zinc/03/97/89/233039789.db2.gz XVGVSHTWJJIOHT-TYNCELHUSA-N 1 0 278.352 3.203 20 5 CGBDRO CCn1ccc(C[N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000616737774 348876448 /nfs/dbraw/zinc/87/64/48/348876448.db2.gz XBLWJMCWCSXNBT-UHFFFAOYSA-N 1 0 287.363 3.357 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCOC ZINC000271116535 190950166 /nfs/dbraw/zinc/95/01/66/190950166.db2.gz IMRJBINAJZUDPA-GFCCVEGCSA-N 1 0 298.408 3.092 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000618990783 349193142 /nfs/dbraw/zinc/19/31/42/349193142.db2.gz FUTYVTXCMGJWOT-NSHDSACASA-N 1 0 280.393 3.449 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619722636 349278636 /nfs/dbraw/zinc/27/86/36/349278636.db2.gz MKKCGNYAIWLHMU-MWLCHTKSSA-N 1 0 275.308 3.014 20 5 CGBDRO C[N@H+](CCCOC(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000619785245 349285091 /nfs/dbraw/zinc/28/50/91/349285091.db2.gz QAORNGJDDQRDHR-UHFFFAOYSA-N 1 0 294.395 3.274 20 5 CGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124122142 187123249 /nfs/dbraw/zinc/12/32/49/187123249.db2.gz ZEFYNXMGVKEFOB-HIFRSBDPSA-N 1 0 292.379 3.110 20 5 CGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124122366 187123378 /nfs/dbraw/zinc/12/33/78/187123378.db2.gz ZEFYNXMGVKEFOB-DZGCQCFKSA-N 1 0 292.379 3.110 20 5 CGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124282606 187130194 /nfs/dbraw/zinc/13/01/94/187130194.db2.gz MTNPHAMJNONDKC-HIFRSBDPSA-N 1 0 292.379 3.110 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362923700 233945902 /nfs/dbraw/zinc/94/59/02/233945902.db2.gz UJLIMFWNNCCQTL-UHFFFAOYSA-N 1 0 274.364 3.450 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)CCCO)cccc1[N+](=O)[O-] ZINC000271496418 191175288 /nfs/dbraw/zinc/17/52/88/191175288.db2.gz KZOCIXKUNQRQCA-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(c3ccccn3)CCC2)cc1 ZINC000367629773 234236952 /nfs/dbraw/zinc/23/69/52/234236952.db2.gz YYHDQZTWXMKNRH-UHFFFAOYSA-N 1 0 297.358 3.201 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CCOC)cc1[N+](=O)[O-] ZINC000153466457 188084392 /nfs/dbraw/zinc/08/43/92/188084392.db2.gz ZRIKIOMRJKKHKC-VXGBXAGGSA-N 1 0 296.367 3.069 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1F ZINC000368476925 234313628 /nfs/dbraw/zinc/31/36/28/234313628.db2.gz HYZBCEPHOJJJIY-GFCCVEGCSA-N 1 0 290.294 3.316 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178657541 282910314 /nfs/dbraw/zinc/91/03/14/282910314.db2.gz AJRAOWUNYZLQDG-JSGCOSHPSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1c([C@H](C)[NH2+]Cc2ccn(C)c2)cccc1[N+](=O)[O-] ZINC000158518371 188380294 /nfs/dbraw/zinc/38/02/94/188380294.db2.gz VJECRBIBOOPPOL-LBPRGKRZSA-N 1 0 273.336 3.093 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173424670 188853937 /nfs/dbraw/zinc/85/39/37/188853937.db2.gz BGLZVKLUZNQKNM-BXUZGUMPSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1cccc(NCCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000413346691 235271131 /nfs/dbraw/zinc/27/11/31/235271131.db2.gz IPRAMLQXQZQIQF-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC13CC3)CCC2 ZINC000417337933 235623509 /nfs/dbraw/zinc/62/35/09/235623509.db2.gz MEWIODLZQMFQEI-SWLSCSKDSA-N 1 0 272.348 3.362 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC[C@H](C)F)cccc1[N+](=O)[O-] ZINC000340466695 215592253 /nfs/dbraw/zinc/59/22/53/215592253.db2.gz DRWKEZVTBPSXPR-ONGXEEELSA-N 1 0 254.305 3.302 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cs1 ZINC000424166444 236127186 /nfs/dbraw/zinc/12/71/86/236127186.db2.gz FZDPENSCNKIGIC-RYUDHWBXSA-N 1 0 266.366 3.182 20 5 CGBDRO C[NH+](C)[C@H](CNc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000432313622 236693670 /nfs/dbraw/zinc/69/36/70/236693670.db2.gz NXVYZOGAWYQXRO-GFCCVEGCSA-N 1 0 283.759 3.000 20 5 CGBDRO CCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000048770419 283396712 /nfs/dbraw/zinc/39/67/12/283396712.db2.gz MVNHOQQHHGDVLR-TZMCWYRMSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@H](CCCCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296537916 199924062 /nfs/dbraw/zinc/92/40/62/199924062.db2.gz QUVFMYPKEFNNCU-MLGOLLRUSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[N@H+](C)CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000341800028 216110323 /nfs/dbraw/zinc/11/03/23/216110323.db2.gz PVZNKXUCWHDBQG-UHFFFAOYSA-N 1 0 292.166 3.265 20 5 CGBDRO C[C@@]12CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000298245751 200369811 /nfs/dbraw/zinc/36/98/11/200369811.db2.gz JRCBLDHYPDBCEU-QWHCGFSZSA-N 1 0 282.290 3.072 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176981021 189018747 /nfs/dbraw/zinc/01/87/47/189018747.db2.gz VOPDFQRGJWTLSO-PHIMTYICSA-N 1 0 289.335 3.214 20 5 CGBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCCC1 ZINC000177027997 189022106 /nfs/dbraw/zinc/02/21/06/189022106.db2.gz NYFMCNAFKSNAAQ-UHFFFAOYSA-N 1 0 289.335 3.358 20 5 CGBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000341985357 216176965 /nfs/dbraw/zinc/17/69/65/216176965.db2.gz WWQLEBRKXDYCJQ-UHFFFAOYSA-N 1 0 288.351 3.236 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CC2)cc1[N+](=O)[O-] ZINC000179397910 189191130 /nfs/dbraw/zinc/19/11/30/189191130.db2.gz DITXUSGNNFJEBE-SNVBAGLBSA-N 1 0 264.325 3.054 20 5 CGBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301597777 201090043 /nfs/dbraw/zinc/09/00/43/201090043.db2.gz SVCDDOPLSZQFSM-GXTWGEPZSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000301581599 201078991 /nfs/dbraw/zinc/07/89/91/201078991.db2.gz TYVBQMFJOOLYLG-AWEZNQCLSA-N 1 0 291.395 3.436 20 5 CGBDRO C[C@H](Nc1cccc(F)c1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301638091 201109781 /nfs/dbraw/zinc/10/97/81/201109781.db2.gz MDCDSMSNZFAEGE-JTQLQIEISA-N 1 0 283.347 3.122 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000301626318 201103355 /nfs/dbraw/zinc/10/33/55/201103355.db2.gz ZXGPRTPTSIFPDS-CQSZACIVSA-N 1 0 291.395 3.293 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184584007 189390397 /nfs/dbraw/zinc/39/03/97/189390397.db2.gz UQLNGJFPRNIDAY-OLZOCXBDSA-N 1 0 278.352 3.142 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184686131 189392574 /nfs/dbraw/zinc/39/25/74/189392574.db2.gz PHXZRSDEQBWFPR-MFKMUULPSA-N 1 0 296.342 3.411 20 5 CGBDRO C[C@@H](CCNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302183938 201387064 /nfs/dbraw/zinc/38/70/64/201387064.db2.gz SRNASCPCQZXZBG-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO COCC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000449280235 239287582 /nfs/dbraw/zinc/28/75/82/239287582.db2.gz WJXRYVNJYZYZSB-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCCF)C2)cc1 ZINC000451554139 240323907 /nfs/dbraw/zinc/32/39/07/240323907.db2.gz ZJBAIXWPDNKPFX-ZDUSSCGKSA-N 1 0 266.316 3.134 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451899575 240377360 /nfs/dbraw/zinc/37/73/60/240377360.db2.gz IIRYOLQAJSDCNK-CZUORRHYSA-N 1 0 290.363 3.158 20 5 CGBDRO CCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000451523486 240317439 /nfs/dbraw/zinc/31/74/39/240317439.db2.gz JOEIFRJZTQVRLJ-BLLLJJGKSA-N 1 0 292.379 3.150 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000452011939 240393388 /nfs/dbraw/zinc/39/33/88/240393388.db2.gz RLKNAAPYIGOKBY-SECBINFHSA-N 1 0 254.355 3.419 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000120952809 370816183 /nfs/dbraw/zinc/81/61/83/370816183.db2.gz NSTSGGDEEJXRDX-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690441 242445490 /nfs/dbraw/zinc/44/54/90/242445490.db2.gz QTNXUSCBGOZMBT-JQWIXIFHSA-N 1 0 296.342 3.363 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928004 242583274 /nfs/dbraw/zinc/58/32/74/242583274.db2.gz XXHTXXDALACTIH-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936600 242584842 /nfs/dbraw/zinc/58/48/42/242584842.db2.gz UAXAGTAOXXHVSE-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478496339 243078238 /nfs/dbraw/zinc/07/82/38/243078238.db2.gz WXTWKDGXPHIAPV-TUKIKUTGSA-N 1 0 292.379 3.052 20 5 CGBDRO CCC[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000035014111 368989604 /nfs/dbraw/zinc/98/96/04/368989604.db2.gz MUHJAMYSLURDRQ-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO CCOc1cc(C[N@H+](C)CCC2CC2)ccc1[N+](=O)[O-] ZINC000492694286 244007383 /nfs/dbraw/zinc/00/73/83/244007383.db2.gz DGBLLPGZURQMKH-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719857 244014456 /nfs/dbraw/zinc/01/44/56/244014456.db2.gz GCYTWPGKBFKVLB-OLZOCXBDSA-N 1 0 292.379 3.471 20 5 CGBDRO Cc1c(C[NH2+]CCCC(C)C)cccc1[N+](=O)[O-] ZINC000037999715 369137387 /nfs/dbraw/zinc/13/73/87/369137387.db2.gz SCRRTACIFUBHLJ-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000219220815 376196651 /nfs/dbraw/zinc/19/66/51/376196651.db2.gz PJAURADZLNSHJX-IINYFYTJSA-N 1 0 292.360 3.041 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C2CCC(O)CC2)cc1[N+](=O)[O-] ZINC000061003534 369594716 /nfs/dbraw/zinc/59/47/16/369594716.db2.gz KRXHJBJOTAYNCR-UHFFFAOYSA-N 1 0 292.379 3.111 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)COC)c1cccc([N+](=O)[O-])c1 ZINC000079737444 369976882 /nfs/dbraw/zinc/97/68/82/369976882.db2.gz VAVHLZPHBJQOIZ-GXTWGEPZSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@H]([NH2+]Cc1cnn2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000507248892 244822621 /nfs/dbraw/zinc/82/26/21/244822621.db2.gz YMBROZFKYRPWSW-LBPRGKRZSA-N 1 0 296.330 3.093 20 5 CGBDRO CC(C)[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000276953447 193512610 /nfs/dbraw/zinc/51/26/10/193512610.db2.gz VQWDCMOXOPEGQT-RISCZKNCSA-N 1 0 280.368 3.041 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344000660 217009637 /nfs/dbraw/zinc/00/96/37/217009637.db2.gz XOAQEXIFBSUFGI-ZDUSSCGKSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331750368 204121673 /nfs/dbraw/zinc/12/16/73/204121673.db2.gz GBPPBSBXWJBKAB-JQWIXIFHSA-N 1 0 288.351 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCF)c(Cl)c1 ZINC000336691971 213566429 /nfs/dbraw/zinc/56/64/29/213566429.db2.gz HPXAIPAHVLGWMV-UHFFFAOYSA-N 1 0 260.696 3.088 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](CC)OC)cc1[N+](=O)[O-] ZINC000290093434 371901411 /nfs/dbraw/zinc/90/14/11/371901411.db2.gz HNJBKROJRZDSOD-DGCLKSJQSA-N 1 0 296.367 3.069 20 5 CGBDRO CC[N@H+](CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000156605954 371987966 /nfs/dbraw/zinc/98/79/66/371987966.db2.gz ZRCMRMYLCDDPKB-CQSZACIVSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1c(C[N@@H+]2CCCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000293074511 372292779 /nfs/dbraw/zinc/29/27/79/372292779.db2.gz JDHUALXDDYWVSF-INIZCTEOSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000161622923 372341843 /nfs/dbraw/zinc/34/18/43/372341843.db2.gz VPSUNYRQAOOAFV-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000162713304 372414320 /nfs/dbraw/zinc/41/43/20/372414320.db2.gz FDGFRTPOSRJYHO-LBPRGKRZSA-N 1 0 278.352 3.272 20 5 CGBDRO CCCCN(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163509577 372476083 /nfs/dbraw/zinc/47/60/83/372476083.db2.gz QZIQEPMBFLVMFL-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000293711704 372457844 /nfs/dbraw/zinc/45/78/44/372457844.db2.gz PTODJFXCNYZSSQ-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165430391 372551011 /nfs/dbraw/zinc/55/10/11/372551011.db2.gz PAWZLVDKCRIGBG-HOTGVXAUSA-N 1 0 294.395 3.433 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344449918 217195129 /nfs/dbraw/zinc/19/51/29/217195129.db2.gz QAAMBMPEQVPJHH-VUDGCMKMSA-N 1 0 260.337 3.244 20 5 CGBDRO Cc1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])c1 ZINC000433808441 372635018 /nfs/dbraw/zinc/63/50/18/372635018.db2.gz PLFIAMUWESCDFR-CQSZACIVSA-N 1 0 289.379 3.332 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294834056 372674009 /nfs/dbraw/zinc/67/40/09/372674009.db2.gz RJLXOKSDNGWWCS-QWRGUYRKSA-N 1 0 295.383 3.031 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000295924513 372960022 /nfs/dbraw/zinc/96/00/22/372960022.db2.gz GRJJOSMWLWMQOP-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000344719636 217288576 /nfs/dbraw/zinc/28/85/76/217288576.db2.gz YPGGLSDVCDTJNO-UHFFFAOYSA-N 1 0 286.278 3.086 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC000172861276 373050946 /nfs/dbraw/zinc/05/09/46/373050946.db2.gz DONKBQNILSTOGJ-NXEZZACHSA-N 1 0 254.355 3.277 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCO1 ZINC000344849336 217333379 /nfs/dbraw/zinc/33/33/79/217333379.db2.gz KHKHSGOCCCJBAL-WQMJKPAKSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173364956 373131420 /nfs/dbraw/zinc/13/14/20/373131420.db2.gz UGULZNKJAIAXQI-LLVKDONJSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@H](O)CCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344894911 217347555 /nfs/dbraw/zinc/34/75/55/217347555.db2.gz YQEVCOXDWRMPCF-DDKJEQMHSA-N 1 0 292.379 3.139 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC23CCC3)ccc1[N+](=O)[O-] ZINC000444796444 373278996 /nfs/dbraw/zinc/27/89/96/373278996.db2.gz ZSIMPJLUZGMZDH-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301134018 373673936 /nfs/dbraw/zinc/67/39/36/373673936.db2.gz WKRKEAUXGKIGTL-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO CC/C=C\C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449450426 373731736 /nfs/dbraw/zinc/73/17/36/373731736.db2.gz BJKLKBHGTGNMBB-IRBQFCFKSA-N 1 0 262.353 3.472 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449505093 373804525 /nfs/dbraw/zinc/80/45/25/373804525.db2.gz QWFWNDYDAYGCQW-QMTHXVAHSA-N 1 0 298.770 3.105 20 5 CGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551238 373785076 /nfs/dbraw/zinc/78/50/76/373785076.db2.gz QRNIWNTWLGDJPP-GXFFZTMASA-N 1 0 297.786 3.025 20 5 CGBDRO CC(C)c1ccc(C[NH+]2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000179724912 373910238 /nfs/dbraw/zinc/91/02/38/373910238.db2.gz RLLCJCFDXLEQDK-UHFFFAOYSA-N 1 0 292.379 3.065 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC12CCC2 ZINC000353668469 220240592 /nfs/dbraw/zinc/24/05/92/220240592.db2.gz GGKDJFGVLVJTJS-ZZXKWVIFSA-N 1 0 258.321 3.236 20 5 CGBDRO C[C@@H]1C[C@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000302793662 373965674 /nfs/dbraw/zinc/96/56/74/373965674.db2.gz ZXHXQYJOGKGTMB-ZYHUDNBSSA-N 1 0 297.786 3.167 20 5 CGBDRO COC[C@H](C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000181475496 374129167 /nfs/dbraw/zinc/12/91/67/374129167.db2.gz OASKHNKEGKFKEE-SNVBAGLBSA-N 1 0 289.335 3.146 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000181831781 374177926 /nfs/dbraw/zinc/17/79/26/374177926.db2.gz WOUKMWWBQABKIM-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000313499015 374302146 /nfs/dbraw/zinc/30/21/46/374302146.db2.gz IUDILZQUEGMUAJ-SWLSCSKDSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000182662831 374308548 /nfs/dbraw/zinc/30/85/48/374308548.db2.gz AKJYZTBPUOEGGE-JSGCOSHPSA-N 1 0 278.352 3.075 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000453310364 374409212 /nfs/dbraw/zinc/40/92/12/374409212.db2.gz ZANJMVJJNKCPGP-IUODEOHRSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331544973 374541721 /nfs/dbraw/zinc/54/17/21/374541721.db2.gz SOPHVQSQQZYUBU-MNOVXSKESA-N 1 0 288.351 3.092 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000185190748 374605835 /nfs/dbraw/zinc/60/58/35/374605835.db2.gz ACVYJGNWYLQZPP-STQMWFEESA-N 1 0 298.408 3.340 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]1C ZINC000464832034 374907408 /nfs/dbraw/zinc/90/74/08/374907408.db2.gz LFZVTVLCBSONGS-AOOOYVTPSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187956350 375126440 /nfs/dbraw/zinc/12/64/40/375126440.db2.gz MWVBSOXJFPKSDJ-LLVKDONJSA-N 1 0 289.335 3.358 20 5 CGBDRO C[C@@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000192945837 375806167 /nfs/dbraw/zinc/80/61/67/375806167.db2.gz KUYGIEHLNPFMCE-HOTGVXAUSA-N 1 0 290.363 3.131 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000222874124 376242619 /nfs/dbraw/zinc/24/26/19/376242619.db2.gz RYRMPSCHNGFTDR-MRVPVSSYSA-N 1 0 292.257 3.034 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420409849 296240467 /nfs/dbraw/zinc/24/04/67/296240467.db2.gz WILHXBZKDRPVTE-JSGCOSHPSA-N 1 0 297.358 3.046 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055777 376354249 /nfs/dbraw/zinc/35/42/49/376354249.db2.gz JNNCOGJYBCATNY-CHWSQXEVSA-N 1 0 278.352 3.237 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000541795141 376482711 /nfs/dbraw/zinc/48/27/11/376482711.db2.gz XTPZDUARQGYJJP-BYCMXARLSA-N 1 0 292.379 3.052 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000233850196 376604237 /nfs/dbraw/zinc/60/42/37/376604237.db2.gz WCTIYWIIEGBHGO-MNOVXSKESA-N 1 0 286.422 3.420 20 5 CGBDRO Cc1c(C[NH2+]Cc2cc(O)cc(F)c2)cccc1[N+](=O)[O-] ZINC000231884391 376574855 /nfs/dbraw/zinc/57/48/55/376574855.db2.gz QBELHDHAEPDKRQ-UHFFFAOYSA-N 1 0 290.294 3.038 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000544118076 376704963 /nfs/dbraw/zinc/70/49/63/376704963.db2.gz URNNEHFSSBSMBK-HNNXBMFYSA-N 1 0 274.364 3.425 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246888848 377112261 /nfs/dbraw/zinc/11/22/61/377112261.db2.gz DRQULGRELYFJRA-MAZHCROVSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccccc1[N+](=O)[O-] ZINC000341102748 377397113 /nfs/dbraw/zinc/39/71/13/377397113.db2.gz NDPFPFAXAFHQIC-STQMWFEESA-N 1 0 277.368 3.270 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000249049498 377450784 /nfs/dbraw/zinc/45/07/84/377450784.db2.gz OCHYSKZKPNZHHQ-NWDGAFQWSA-N 1 0 280.393 3.483 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272936 377482305 /nfs/dbraw/zinc/48/23/05/377482305.db2.gz DUHKBHDPLRCNHI-GHMZBOCLSA-N 1 0 296.342 3.220 20 5 CGBDRO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249533092 377513165 /nfs/dbraw/zinc/51/31/65/377513165.db2.gz BMTLJUJEWGNXCA-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]([NH2+]CCOCC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000313254349 249090070 /nfs/dbraw/zinc/09/00/70/249090070.db2.gz SBTPNJLTBLRQGQ-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1cccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c1F ZINC000449205451 249139246 /nfs/dbraw/zinc/13/92/46/249139246.db2.gz LESSTLQRUQXONM-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000342996699 377878737 /nfs/dbraw/zinc/87/87/37/377878737.db2.gz BIMJECAZCAUCQJ-OAHLLOKOSA-N 1 0 260.337 3.359 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580782945 378257720 /nfs/dbraw/zinc/25/77/20/378257720.db2.gz CTXRXBKBIILQBZ-OAHLLOKOSA-N 1 0 283.331 3.075 20 5 CGBDRO COCC1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000582300908 378302367 /nfs/dbraw/zinc/30/23/67/378302367.db2.gz JNRHBBSGVXHXMB-GQCTYLIASA-N 1 0 290.363 3.014 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000346576609 378630883 /nfs/dbraw/zinc/63/08/83/378630883.db2.gz SKFHNXYINUYNQR-NSHDSACASA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348288841 378888205 /nfs/dbraw/zinc/88/82/05/378888205.db2.gz KMUTWIGAHSSBKQ-SRVKXCTJSA-N 1 0 270.279 3.289 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncc(F)c2)cc1[N+](=O)[O-] ZINC000275064830 378932871 /nfs/dbraw/zinc/93/28/71/378932871.db2.gz RNNRQDGBNBHNCY-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000277309047 379127019 /nfs/dbraw/zinc/12/70/19/379127019.db2.gz SLZQNUIHMCJEBD-OCCSQVGLSA-N 1 0 280.393 3.215 20 5 CGBDRO CC(C)C[C@@H](C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374171499 379388135 /nfs/dbraw/zinc/38/81/35/379388135.db2.gz DDIABRJVXSTMSO-CYBMUJFWSA-N 1 0 294.399 3.110 20 5 CGBDRO C[C@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)C1 ZINC000350285761 379535886 /nfs/dbraw/zinc/53/58/86/379535886.db2.gz JEGLUJMZCUMSQK-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCSC1 ZINC000279871297 379538744 /nfs/dbraw/zinc/53/87/44/379538744.db2.gz FNFDNKKCURDHJZ-CHWSQXEVSA-N 1 0 294.420 3.259 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267012071 190296444 /nfs/dbraw/zinc/29/64/44/190296444.db2.gz NAKQBTCEJMRULL-JTQLQIEISA-N 1 0 286.372 3.307 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282171515 379866960 /nfs/dbraw/zinc/86/69/60/379866960.db2.gz MFXSMBASGQHEHX-DVOMOZLQSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303572 379828168 /nfs/dbraw/zinc/82/81/68/379828168.db2.gz HPSLGDGHBKYNNE-DZGCQCFKSA-N 1 0 292.379 3.465 20 5 CGBDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000352747571 379936432 /nfs/dbraw/zinc/93/64/32/379936432.db2.gz GLVVXPALTZPHPI-GDBMZVCRSA-N 1 0 292.379 3.136 20 5 CGBDRO COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000353080731 380104524 /nfs/dbraw/zinc/10/45/24/380104524.db2.gz MEUXPONQGUEDOS-UHFFFAOYSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286081690 380160768 /nfs/dbraw/zinc/16/07/68/380160768.db2.gz SJNUDAIMBDHCNH-PRHODGIISA-N 1 0 286.784 3.089 20 5 CGBDRO CCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000355538660 380704936 /nfs/dbraw/zinc/70/49/36/380704936.db2.gz BVWBNSJFDMQJDX-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000357026166 380997148 /nfs/dbraw/zinc/99/71/48/380997148.db2.gz BTXSLFSCAJWZGV-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000348907675 218771992 /nfs/dbraw/zinc/77/19/92/218771992.db2.gz YEAPJIMBSXOUAJ-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CC1)C1CCC1 ZINC000361587825 381819804 /nfs/dbraw/zinc/81/98/04/381819804.db2.gz WYSUHYLRUBTBNY-UHFFFAOYSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)cc1 ZINC000418132984 285113500 /nfs/dbraw/zinc/11/35/00/285113500.db2.gz ZYVDOXFGEIMABA-OAHLLOKOSA-N 1 0 292.404 3.312 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000020130082 285115689 /nfs/dbraw/zinc/11/56/89/285115689.db2.gz WLMVFVNWDDZKSU-INIZCTEOSA-N 1 0 268.316 3.372 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCOC1)CCCC2 ZINC000417325414 285145759 /nfs/dbraw/zinc/14/57/59/285145759.db2.gz BYFIHHRKRUZKHA-XJKSGUPXSA-N 1 0 290.363 3.131 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076438 285273150 /nfs/dbraw/zinc/27/31/50/285273150.db2.gz DZBNUHSBNXDWSB-ZIAGYGMSSA-N 1 0 292.379 3.404 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000358322222 533450086 /nfs/dbraw/zinc/45/00/86/533450086.db2.gz SPPZZZJLRISEOQ-GFCCVEGCSA-N 1 0 298.342 3.476 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000191646924 130269380 /nfs/dbraw/zinc/26/93/80/130269380.db2.gz JSFUKXKSAZRAHS-SDDRHHMPSA-N 1 0 296.367 3.068 20 5 CGBDRO C[C@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000191669685 130273841 /nfs/dbraw/zinc/27/38/41/130273841.db2.gz HWAKTJUZLRVQCG-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C/c2ccccc2)cc1 ZINC000051790161 392073360 /nfs/dbraw/zinc/07/33/60/392073360.db2.gz VFHZYUPRCYZJFD-QPJJXVBHSA-N 1 0 282.343 3.440 20 5 CGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000065299246 392146683 /nfs/dbraw/zinc/14/66/83/392146683.db2.gz GFRWRXMCZJPPPW-GFCCVEGCSA-N 1 0 280.368 3.470 20 5 CGBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000071954247 392194150 /nfs/dbraw/zinc/19/41/50/392194150.db2.gz DVIPWDFHXAVLCO-NEPJUHHUSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cscc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094877797 392243017 /nfs/dbraw/zinc/24/30/17/392243017.db2.gz ASOQEPXMWKUBQC-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000090859478 392230078 /nfs/dbraw/zinc/23/00/78/392230078.db2.gz NEUMYYGBYSCINE-CQDKDKBSSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000247100234 131100305 /nfs/dbraw/zinc/10/03/05/131100305.db2.gz OODWEHAKIGDUEF-IHRRRGAJSA-N 1 0 292.379 3.105 20 5 CGBDRO CO[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000189281804 392804316 /nfs/dbraw/zinc/80/43/16/392804316.db2.gz ZJEGICGRQLKHOE-HUBLWGQQSA-N 1 0 278.352 3.013 20 5 CGBDRO CC/C=C\CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511112182 392827897 /nfs/dbraw/zinc/82/78/97/392827897.db2.gz XWMSFXRTKPAZDB-PLNGDYQASA-N 1 0 262.353 3.425 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511136747 392829978 /nfs/dbraw/zinc/82/99/78/392829978.db2.gz KIZWSYONRIYXHI-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO CCC[C@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000512885749 392852594 /nfs/dbraw/zinc/85/25/94/392852594.db2.gz TXGYZOUUAGMDSB-WRLNGNIRSA-N 1 0 290.363 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(CSCCC[NH+]2CCCC2)cc1 ZINC000195038343 392954152 /nfs/dbraw/zinc/95/41/52/392954152.db2.gz YMXLIYLMSIOCCC-UHFFFAOYSA-N 1 0 280.393 3.314 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCC12CCCC2 ZINC000468005363 393115994 /nfs/dbraw/zinc/11/59/94/393115994.db2.gz PQNFCWONODKZJP-HNNXBMFYSA-N 1 0 274.364 3.450 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ncccc1C ZINC000468656429 393157147 /nfs/dbraw/zinc/15/71/47/393157147.db2.gz VWSMBQPDDOEPNF-UKTHLTGXSA-N 1 0 297.358 3.491 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCSC1 ZINC000279871301 393337804 /nfs/dbraw/zinc/33/78/04/393337804.db2.gz FNFDNKKCURDHJZ-OLZOCXBDSA-N 1 0 294.420 3.259 20 5 CGBDRO CC[C@](C)(O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314914 393347523 /nfs/dbraw/zinc/34/75/23/393347523.db2.gz ROJBPHCGUHGPBK-HOTGVXAUSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[C@H]1CC[N@@H+]1C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000430185103 393533556 /nfs/dbraw/zinc/53/35/56/393533556.db2.gz CGXIQMYXQQBTFZ-TZIYXEQSSA-N 1 0 260.337 3.482 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430193113 393536186 /nfs/dbraw/zinc/53/61/86/393536186.db2.gz FBKQIPQMDNJOJS-LBPRGKRZSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239155 393546422 /nfs/dbraw/zinc/54/64/22/393546422.db2.gz MVSWZRYLKZFOEU-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC1(C)C ZINC000430242971 393548038 /nfs/dbraw/zinc/54/80/38/393548038.db2.gz KDYWPXQCOGQLKB-AWEZNQCLSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000430241080 393548233 /nfs/dbraw/zinc/54/82/33/393548233.db2.gz NBFSSIZWBIJURT-UHFFFAOYSA-N 1 0 276.336 3.146 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@H]2CC23CC3)c2cc([N+](=O)[O-])ccc21 ZINC000424333966 393681636 /nfs/dbraw/zinc/68/16/36/393681636.db2.gz YETREKFAAWZLJQ-KBPBESRZSA-N 1 0 272.348 3.459 20 5 CGBDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000443072667 393743178 /nfs/dbraw/zinc/74/31/78/393743178.db2.gz VPOAUWWRILTQPS-BBUPELFUSA-N 1 0 290.363 3.107 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000492506793 393746565 /nfs/dbraw/zinc/74/65/65/393746565.db2.gz CTTHLUWOIYXECH-LBPRGKRZSA-N 1 0 280.368 3.470 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154854 393687474 /nfs/dbraw/zinc/68/74/74/393687474.db2.gz QZGURYBRNXNAPO-OCCSQVGLSA-N 1 0 293.411 3.284 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444650992 393790517 /nfs/dbraw/zinc/79/05/17/393790517.db2.gz FFCMCUORZYGLGG-NSHDSACASA-N 1 0 288.351 3.236 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@@H](C)O ZINC000453335099 394224226 /nfs/dbraw/zinc/22/42/26/394224226.db2.gz XQVCGLKTTPXFLA-WKPIXPDZSA-N 1 0 292.379 3.066 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000453622925 394261161 /nfs/dbraw/zinc/26/11/61/394261161.db2.gz AZLYSXWUQITFQO-GXTWGEPZSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@@H](F)C1 ZINC000558259314 289484670 /nfs/dbraw/zinc/48/46/70/289484670.db2.gz XYTVLDMVUYZZSD-TUAOUCFPSA-N 1 0 266.316 3.444 20 5 CGBDRO Cc1cccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c1 ZINC000038079485 286889399 /nfs/dbraw/zinc/88/93/99/286889399.db2.gz XXOQJJTXOPLMCG-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000076149975 165108243 /nfs/dbraw/zinc/10/82/43/165108243.db2.gz FXIBYLQJMWYRRZ-VHSXEESVSA-N 1 0 254.355 3.277 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081709766 165163583 /nfs/dbraw/zinc/16/35/83/165163583.db2.gz FNJYWPHFIZIRNC-IUODEOHRSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000093443007 287116610 /nfs/dbraw/zinc/11/66/10/287116610.db2.gz ZXTGVXGPAQWWSC-WNTTXKOVSA-N 1 0 272.348 3.340 20 5 CGBDRO C[C@@H]1SCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@H]1C ZINC000093499836 287117023 /nfs/dbraw/zinc/11/70/23/287117023.db2.gz MUANCIBOSZIRRM-YTDWTQRBSA-N 1 0 292.404 3.434 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000119876551 287174925 /nfs/dbraw/zinc/17/49/25/287174925.db2.gz DCQGILMJPRVKHB-OCCSQVGLSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000020128033 171014580 /nfs/dbraw/zinc/01/45/80/171014580.db2.gz CPNSEGPCFNMGQA-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000020134391 171022115 /nfs/dbraw/zinc/02/21/15/171022115.db2.gz VBMFSANNEXCRQJ-UHFFFAOYSA-N 1 0 256.305 3.193 20 5 CGBDRO COc1ccc(C[NH2+]Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000020473567 171217449 /nfs/dbraw/zinc/21/74/49/171217449.db2.gz FPQGSPLDSKTTAI-UHFFFAOYSA-N 1 0 290.294 3.032 20 5 CGBDRO COc1ccc(C[NH2+]C2CCC(C)CC2)cc1[N+](=O)[O-] ZINC000020547033 171244574 /nfs/dbraw/zinc/24/45/74/171244574.db2.gz VZDHYRQJJROIMQ-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284865040 196147165 /nfs/dbraw/zinc/14/71/65/196147165.db2.gz DJORXYGQHBNMOG-HOCLYGCPSA-N 1 0 290.363 3.047 20 5 CGBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000071954214 176304249 /nfs/dbraw/zinc/30/42/49/176304249.db2.gz WFPBEVPQSHDGCR-STQMWFEESA-N 1 0 277.368 3.127 20 5 CGBDRO CSC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151000660 287504329 /nfs/dbraw/zinc/50/43/29/287504329.db2.gz JFDKTNRCLOYQLN-WDEREUQCSA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000393624294 262021955 /nfs/dbraw/zinc/02/19/55/262021955.db2.gz UUYNKODONXKMSP-LBPRGKRZSA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)OC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000185854799 270064298 /nfs/dbraw/zinc/06/42/98/270064298.db2.gz GVCCOPJABLZMJW-UHFFFAOYSA-N 1 0 298.770 3.294 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000230655858 270089034 /nfs/dbraw/zinc/08/90/34/270089034.db2.gz ZGKRDIYZALEAMF-FZMZJTMJSA-N 1 0 262.353 3.429 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000322637921 270093971 /nfs/dbraw/zinc/09/39/71/270093971.db2.gz BGLPIPKDHULJSA-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@H](C)C(C)C ZINC000520059680 270098620 /nfs/dbraw/zinc/09/86/20/270098620.db2.gz FKIIGAZJWJTHON-GFCCVEGCSA-N 1 0 280.368 3.470 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000531440287 270206838 /nfs/dbraw/zinc/20/68/38/270206838.db2.gz CVYJXPOMCCJCMY-MRXNPFEDSA-N 1 0 283.331 3.327 20 5 CGBDRO C[NH+](C)[C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000287651530 273816122 /nfs/dbraw/zinc/81/61/22/273816122.db2.gz IEYJIAJPIQSGSR-LBPRGKRZSA-N 1 0 297.786 3.169 20 5 CGBDRO COC(C)(C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311433 274012088 /nfs/dbraw/zinc/01/20/88/274012088.db2.gz LTEBWCOEJSLNQM-HNNXBMFYSA-N 1 0 292.379 3.377 20 5 CGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963901 274087157 /nfs/dbraw/zinc/08/71/57/274087157.db2.gz YVKKIKLBBFSMSN-GDBMZVCRSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177074 274255284 /nfs/dbraw/zinc/25/52/84/274255284.db2.gz NOUINZDSJGRYJU-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000040997598 274856772 /nfs/dbraw/zinc/85/67/72/274856772.db2.gz VWSWGDRQCZLPSA-VIFPVBQESA-N 1 0 277.349 3.211 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000337263592 275660220 /nfs/dbraw/zinc/66/02/20/275660220.db2.gz RMOXYZYTWITWEZ-VXGBXAGGSA-N 1 0 266.341 3.059 20 5 CGBDRO COC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000296198489 287920132 /nfs/dbraw/zinc/92/01/32/287920132.db2.gz YZZORKPMYJEIBW-SOFGYWHQSA-N 1 0 290.363 3.157 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000090537203 277203276 /nfs/dbraw/zinc/20/32/76/277203276.db2.gz MADNALDSSOPNRM-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000125475151 277627063 /nfs/dbraw/zinc/62/70/63/277627063.db2.gz ARENSMDEGCSWLT-NEPJUHHUSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]([NH2+]CC1(CC)COC1)c1cccc([N+](=O)[O-])c1 ZINC000393966617 288001243 /nfs/dbraw/zinc/00/12/43/288001243.db2.gz QDEHLYWGOYHYFS-AWEZNQCLSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N1CCCCC1 ZINC000038028837 278208962 /nfs/dbraw/zinc/20/89/62/278208962.db2.gz XGOJFKQEHGHESM-KGLIPLIRSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000397777023 288030403 /nfs/dbraw/zinc/03/04/03/288030403.db2.gz TXRRCGYQRHUTBZ-XFMPKHEZSA-N 1 0 260.337 3.434 20 5 CGBDRO CCC[C@H]([NH2+]CC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397789990 288030690 /nfs/dbraw/zinc/03/06/90/288030690.db2.gz CSGRKKNSVYNLKQ-HNNXBMFYSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414285643 288080862 /nfs/dbraw/zinc/08/08/62/288080862.db2.gz BLZMGMFOTSZONL-IVMMDQJWSA-N 1 0 294.395 3.349 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000341894346 288082694 /nfs/dbraw/zinc/08/26/94/288082694.db2.gz ZZZDSWRURZUCEC-BZPMIXESSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]([NH2+]CC1(C)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000227791547 279461910 /nfs/dbraw/zinc/46/19/10/279461910.db2.gz SDKZBTBAWNMNSA-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000265783615 280140553 /nfs/dbraw/zinc/14/05/53/280140553.db2.gz OXPZTKLFVYTOOV-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO CC(C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000532478884 288364070 /nfs/dbraw/zinc/36/40/70/288364070.db2.gz SPAJGFNPEINHAM-UHFFFAOYSA-N 1 0 280.368 3.340 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+]([C@@H]1C=CCCC1)C2 ZINC000533800558 288394956 /nfs/dbraw/zinc/39/49/56/288394956.db2.gz SKODHZQWVRCRTC-CYBMUJFWSA-N 1 0 258.321 3.062 20 5 CGBDRO COCC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174576 292677490 /nfs/dbraw/zinc/67/74/90/292677490.db2.gz NIWMUSSZCGUIOK-NHYWBVRUSA-N 1 0 292.379 3.332 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CSC2(C)C)cccc1[N+](=O)[O-] ZINC000549237457 289038807 /nfs/dbraw/zinc/03/88/07/289038807.db2.gz PSOFNOOYUFOGBR-GXFFZTMASA-N 1 0 280.393 3.448 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC=C(C)CC1 ZINC000550938249 289092340 /nfs/dbraw/zinc/09/23/40/289092340.db2.gz TUWFFMBEBRHFCE-CYBMUJFWSA-N 1 0 276.336 3.192 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H]1C ZINC000552320978 289181240 /nfs/dbraw/zinc/18/12/40/289181240.db2.gz IPLCAMCWJAPLLX-BZPMIXESSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000553427899 289224130 /nfs/dbraw/zinc/22/41/30/289224130.db2.gz SPMJOLRLVJTJGN-STQMWFEESA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC1(C)C ZINC000555236194 289334956 /nfs/dbraw/zinc/33/49/56/289334956.db2.gz RXKCJWBQDNDVCY-BXUZGUMPSA-N 1 0 294.420 3.400 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC[C@H]1F ZINC000555645193 289355644 /nfs/dbraw/zinc/35/56/44/289355644.db2.gz SZUQNPLFCWJJHD-LMSYVIICSA-N 1 0 278.327 3.478 20 5 CGBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000295112414 289431367 /nfs/dbraw/zinc/43/13/67/289431367.db2.gz VGAPYTHBXKGMNL-QWHCGFSZSA-N 1 0 294.395 3.055 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000558687772 289512040 /nfs/dbraw/zinc/51/20/40/289512040.db2.gz CRDYDXWJHFAZJN-WVWOOGAGSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000582044967 327819736 /nfs/dbraw/zinc/81/97/36/327819736.db2.gz MOONPLXCVIWSCI-SWLSCSKDSA-N 1 0 280.368 3.369 20 5 CGBDRO CSC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563819291 322011469 /nfs/dbraw/zinc/01/14/69/322011469.db2.gz GLPVXEUGARUHHV-LBPRGKRZSA-N 1 0 278.377 3.067 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCCS1 ZINC000565844487 322094176 /nfs/dbraw/zinc/09/41/76/322094176.db2.gz VVLUQBPKKCEHMH-FZMZJTMJSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1cccs1 ZINC000566475534 322125089 /nfs/dbraw/zinc/12/50/89/322125089.db2.gz MKABDZOCMAJQJM-CQSZACIVSA-N 1 0 288.372 3.476 20 5 CGBDRO Cc1c(OC[C@H]2CC[C@H](C[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000567808826 322178464 /nfs/dbraw/zinc/17/84/64/322178464.db2.gz AABJBCXRKDCRKQ-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000570344756 322271504 /nfs/dbraw/zinc/27/15/04/322271504.db2.gz XBDDCHPXXNQHPQ-XHDPSFHLSA-N 1 0 283.331 3.328 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000571950332 322313714 /nfs/dbraw/zinc/31/37/14/322313714.db2.gz UWEDCTGLZXZKFH-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000572126442 322321217 /nfs/dbraw/zinc/32/12/17/322321217.db2.gz FMIKYQJJJKALNY-ZOWXZIJZSA-N 1 0 280.368 3.043 20 5 CGBDRO C[NH2+]CCSCc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000578235034 335589803 /nfs/dbraw/zinc/58/98/03/335589803.db2.gz HGAQZECONJTEHN-UHFFFAOYSA-N 1 0 294.298 3.066 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2c(c1)COC2)c1ccc([N+](=O)[O-])cc1 ZINC000358322223 533925571 /nfs/dbraw/zinc/92/55/71/533925571.db2.gz SPPZZZJLRISEOQ-LBPRGKRZSA-N 1 0 298.342 3.476 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(C)(F)F ZINC000449353768 534254508 /nfs/dbraw/zinc/25/45/08/534254508.db2.gz GNAUYZVLSBTIRG-JTQLQIEISA-N 1 0 272.295 3.161 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC2CC[NH+](C3CC3)CC2)c1 ZINC000444866646 534324773 /nfs/dbraw/zinc/32/47/73/534324773.db2.gz AZTIWXJTNPSOFU-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C(C)C)CC2)c1 ZINC000157392772 534325933 /nfs/dbraw/zinc/32/59/33/534325933.db2.gz IKKMKIKQKLCRPR-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](O)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000163961227 520776501 /nfs/dbraw/zinc/77/65/01/520776501.db2.gz FICREUBOHINWNG-MAZHCROVSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097436538 520777527 /nfs/dbraw/zinc/77/75/27/520777527.db2.gz SSVBFDJMRUGASH-SWLSCSKDSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC[C@H]([NH2+]CCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000296586149 521157342 /nfs/dbraw/zinc/15/73/42/521157342.db2.gz URQZOXNPCSQRFL-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249746 521753216 /nfs/dbraw/zinc/75/32/16/521753216.db2.gz HAJUOXPINIGOKJ-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](C[N@H+](C)Cc1cccc([N+](=O)[O-])c1)c1nccs1 ZINC000183924012 524296247 /nfs/dbraw/zinc/29/62/47/524296247.db2.gz RQKRNGPGDQKAPK-LLVKDONJSA-N 1 0 291.376 3.287 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CC12CC2)C1CC1 ZINC000424330701 534887751 /nfs/dbraw/zinc/88/77/51/534887751.db2.gz UNZUHTZCEHSTCF-UKRRQHHQSA-N 1 0 272.348 3.058 20 5 CGBDRO CC(C)([NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423287836 527257814 /nfs/dbraw/zinc/25/78/14/527257814.db2.gz OULDVPFHVCXAQD-INIZCTEOSA-N 1 0 299.374 3.011 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC12CC2 ZINC000424185908 527528930 /nfs/dbraw/zinc/52/89/30/527528930.db2.gz REBHNXSSDIVFBY-DPQIITEBSA-N 1 0 258.321 3.140 20 5 CGBDRO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177764 527866231 /nfs/dbraw/zinc/86/62/31/527866231.db2.gz TVHXTNPRHYFJSB-OUCADQQQSA-N 1 0 262.353 3.304 20 5 CGBDRO CCC[NH+](CCC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411163799 528053039 /nfs/dbraw/zinc/05/30/39/528053039.db2.gz GCYBNSJPVIIUSO-UHFFFAOYSA-N 1 0 293.367 3.045 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417333598 528596501 /nfs/dbraw/zinc/59/65/01/528596501.db2.gz GEMIVEYXSQSQHK-DGCLKSJQSA-N 1 0 290.363 3.444 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000168446789 529028289 /nfs/dbraw/zinc/02/82/89/529028289.db2.gz OGTSVNWHNUAXHB-CYBMUJFWSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449401596 529248663 /nfs/dbraw/zinc/24/86/63/529248663.db2.gz HTPOATJSPVGMFL-ZENOOKHLSA-N 1 0 294.395 3.177 20 5 CGBDRO CCC[C@H]([NH2+]CCC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228037141 535703064 /nfs/dbraw/zinc/70/30/64/535703064.db2.gz RYRRLBMHUMMZKF-DOMZBBRYSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000463023185 535765479 /nfs/dbraw/zinc/76/54/79/535765479.db2.gz HBNMXIIWCWWTKB-RCBBPTIPSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000222516103 535808612 /nfs/dbraw/zinc/80/86/12/535808612.db2.gz CYBZGEAWLQQQCH-QMTHXVAHSA-N 1 0 274.324 3.120 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000484297785 536809031 /nfs/dbraw/zinc/80/90/31/536809031.db2.gz VJUQIQAJOQBRRH-TUKIKUTGSA-N 1 0 292.379 3.367 20 5 CGBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000096610071 618151381 /nfs/dbraw/zinc/15/13/81/618151381.db2.gz LPIQWHFWLGRZBH-SECBINFHSA-N 1 0 256.371 3.428 20 5 CGBDRO C[C@@H]([NH2+]C[Si](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180445934 618878897 /nfs/dbraw/zinc/87/88/97/618878897.db2.gz KCKQWFJWAJARBT-SNVBAGLBSA-N 1 0 252.390 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(OCC[NH+]2CCCCC2)ccc1Cl ZINC000311458425 618909414 /nfs/dbraw/zinc/90/94/14/618909414.db2.gz UZVOLUHVPWVZQJ-UHFFFAOYSA-N 1 0 284.743 3.113 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2csc([C@H]3CCC[NH2+]C3)n2)c1 ZINC000053252265 619077805 /nfs/dbraw/zinc/07/78/05/619077805.db2.gz HIKDYEFJDUIADE-NSHDSACASA-N 1 0 289.360 3.185 20 5 CGBDRO O=[N+]([O-])c1cc(OCCC2CC[NH2+]CC2)ccc1Cl ZINC000205316980 619446329 /nfs/dbraw/zinc/44/63/29/619446329.db2.gz UWZBOFHBRKLFLJ-UHFFFAOYSA-N 1 0 284.743 3.017 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498953 619553772 /nfs/dbraw/zinc/55/37/72/619553772.db2.gz MIRCELAJBQCHFX-ZYHUDNBSSA-N 1 0 294.351 3.072 20 5 CGBDRO COc1c(O)ccc(C[NH2+][C@@H](C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000894807407 619640240 /nfs/dbraw/zinc/64/02/40/619640240.db2.gz VUWUPNJEGWZOGH-JTQLQIEISA-N 1 0 296.367 3.223 20 5 CGBDRO C[C@@H]([NH2+]C1CC(C(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896511067 620015666 /nfs/dbraw/zinc/01/56/66/620015666.db2.gz FCAAZWBZWVRNFF-MFAVDMRSSA-N 1 0 270.279 3.289 20 5 CGBDRO CCO[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000897068862 620134336 /nfs/dbraw/zinc/13/43/36/620134336.db2.gz ZYJSIKUCCSTWNO-WQMJKPAKSA-N 1 0 290.363 3.109 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000179114994 620302850 /nfs/dbraw/zinc/30/28/50/620302850.db2.gz MSTCRLMPMQTHCH-ZDUSSCGKSA-N 1 0 298.383 3.451 20 5 CGBDRO Cc1ncc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897469240 620341832 /nfs/dbraw/zinc/34/18/32/620341832.db2.gz GSKGSWXYNYRQEC-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO CCC[NH2+]CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000054267424 620518769 /nfs/dbraw/zinc/51/87/69/620518769.db2.gz ODCKOXSIDKJQIF-UHFFFAOYSA-N 1 0 291.273 3.025 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000927022413 620563357 /nfs/dbraw/zinc/56/33/57/620563357.db2.gz ACWGDOBDMKIAPQ-JSGCOSHPSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000901643184 620960067 /nfs/dbraw/zinc/96/00/67/620960067.db2.gz POLFIYURKDNLHK-OLZOCXBDSA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286912 621669622 /nfs/dbraw/zinc/66/96/22/621669622.db2.gz JFQYMDMUOIDTAR-DYEKYZERSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000903287005 621669729 /nfs/dbraw/zinc/66/97/29/621669729.db2.gz LSUOAQIJAUYYPV-BQPHKTIFSA-N 1 0 260.337 3.434 20 5 CGBDRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288259 621671414 /nfs/dbraw/zinc/67/14/14/621671414.db2.gz VGOJHTWOHDTROO-OCCSQVGLSA-N 1 0 280.368 3.307 20 5 CGBDRO CC[C@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000164829486 622846750 /nfs/dbraw/zinc/84/67/50/622846750.db2.gz ZFEOZJJWJBJVRT-QMMMGPOBSA-N 1 0 287.157 3.245 20 5 CGBDRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000223830051 622866100 /nfs/dbraw/zinc/86/61/00/622866100.db2.gz GRKZAOIEUMGQCM-GFCCVEGCSA-N 1 0 282.343 3.413 20 5 CGBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000917092134 624238431 /nfs/dbraw/zinc/23/84/31/624238431.db2.gz MJXDJUJOTGPFOC-UHFFFAOYSA-N 1 0 291.395 3.151 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154380526 624267108 /nfs/dbraw/zinc/26/71/08/624267108.db2.gz HNQGGGPHLJPJNF-JKSUJKDBSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)n1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000922537758 626011292 /nfs/dbraw/zinc/01/12/92/626011292.db2.gz JZBZBJILNRZYPY-GFCCVEGCSA-N 1 0 288.351 3.223 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCO1 ZINC000922819123 626051024 /nfs/dbraw/zinc/05/10/24/626051024.db2.gz JMNGPDORTZQIIB-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227859936 626081215 /nfs/dbraw/zinc/08/12/15/626081215.db2.gz FINBKVZJZIZWAL-SLEUVZQESA-N 1 0 280.368 3.043 20 5 CGBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839665109 626773036 /nfs/dbraw/zinc/77/30/36/626773036.db2.gz ZENYREAUNDCIKU-OAHLLOKOSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000766270442 627308493 /nfs/dbraw/zinc/30/84/93/627308493.db2.gz BYNYXACYFIUMHL-TZMCWYRMSA-N 1 0 291.395 3.038 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCCCO ZINC000786820373 628965024 /nfs/dbraw/zinc/96/50/24/628965024.db2.gz HRINYVCBUJXXMR-SDNWHVSQSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652178 629070922 /nfs/dbraw/zinc/07/09/22/629070922.db2.gz NGDNLAMQGHQEFW-WZRBSPASSA-N 1 0 277.368 3.406 20 5 CGBDRO CC(C)CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788644016 629070955 /nfs/dbraw/zinc/07/09/55/629070955.db2.gz RHODDIQWSNRQQT-LLVKDONJSA-N 1 0 265.357 3.264 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccc(Cl)nc2)cccc1[N+](=O)[O-] ZINC000790998037 629247977 /nfs/dbraw/zinc/24/79/77/629247977.db2.gz FRWLAPKWBLQWJQ-UHFFFAOYSA-N 1 0 291.738 3.241 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC=CC2)cc1Cl ZINC000862454253 629381246 /nfs/dbraw/zinc/38/12/46/629381246.db2.gz DIGNLMMTKUQMSM-UHFFFAOYSA-N 1 0 266.728 3.304 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000798963107 630129157 /nfs/dbraw/zinc/12/91/57/630129157.db2.gz XEQHKFPORIAVLV-OAHLLOKOSA-N 1 0 297.358 3.288 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804400317 630525657 /nfs/dbraw/zinc/52/56/57/630525657.db2.gz RHNQQIFQMOVWES-LBPRGKRZSA-N 1 0 297.786 3.215 20 5 CGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809707069 630788744 /nfs/dbraw/zinc/78/87/44/630788744.db2.gz QBPKUKWAPNISRU-JQWIXIFHSA-N 1 0 298.770 3.010 20 5 CGBDRO CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000819152123 632389395 /nfs/dbraw/zinc/38/93/95/632389395.db2.gz LYZFGBRISPYECT-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344024 632434793 /nfs/dbraw/zinc/43/47/93/632434793.db2.gz UEFQYBMPINSVAI-CZUORRHYSA-N 1 0 292.379 3.353 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819353275 632438188 /nfs/dbraw/zinc/43/81/88/632438188.db2.gz AOGFJJFRYQXDTR-HZPDHXFCSA-N 1 0 292.379 3.187 20 5 CGBDRO CSCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270540 633055891 /nfs/dbraw/zinc/05/58/91/633055891.db2.gz YEJVYKAMBXEDBP-JTQLQIEISA-N 1 0 286.372 3.008 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000824462530 633248424 /nfs/dbraw/zinc/24/84/24/633248424.db2.gz DZKREUDZBHYVBK-NJZAAPMLSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)[C@H]1CCSC1 ZINC000876572946 634860308 /nfs/dbraw/zinc/86/03/08/634860308.db2.gz KWZCTZKGJBZCLC-LBPRGKRZSA-N 1 0 280.393 3.149 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000824764756 633284132 /nfs/dbraw/zinc/28/41/32/633284132.db2.gz CZYDCEXBDPJPCE-LLVKDONJSA-N 1 0 289.162 3.268 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000825284643 633342322 /nfs/dbraw/zinc/34/23/22/633342322.db2.gz VPGUFIHVRAOSSY-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)CC(=O)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000828469844 633617670 /nfs/dbraw/zinc/61/76/70/633617670.db2.gz USVYIRRNLXGGEJ-UHFFFAOYSA-N 1 0 292.379 3.074 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872038930 633958933 /nfs/dbraw/zinc/95/89/33/633958933.db2.gz BMSSVLBSBGXTCC-MFKMUULPSA-N 1 0 284.331 3.056 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039228 633959372 /nfs/dbraw/zinc/95/93/72/633959372.db2.gz DUFJNFBULHRMHM-QJPTWQEYSA-N 1 0 298.358 3.182 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCF ZINC000872047949 633970466 /nfs/dbraw/zinc/97/04/66/633970466.db2.gz DYGBLZQKVSNQMV-SECBINFHSA-N 1 0 272.345 3.327 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCSC1 ZINC000872047636 633970582 /nfs/dbraw/zinc/97/05/82/633970582.db2.gz FYKPZYQYBUGLEE-UWVGGRQHSA-N 1 0 298.433 3.473 20 5 CGBDRO CO[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064132 633986156 /nfs/dbraw/zinc/98/61/56/633986156.db2.gz CGOHXWRXDYZFFQ-ZJUUUORDSA-N 1 0 284.381 3.002 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077997 634001480 /nfs/dbraw/zinc/00/14/80/634001480.db2.gz DDKYJHBWVGJUST-QWRGUYRKSA-N 1 0 284.331 3.057 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080443 634003694 /nfs/dbraw/zinc/00/36/94/634003694.db2.gz XMAFLHXJNDDLMZ-WISYIIOYSA-N 1 0 296.342 3.198 20 5 CGBDRO C[C@H]([NH2+]CC1CC=CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088824 634014767 /nfs/dbraw/zinc/01/47/67/634014767.db2.gz VLUJMGAAWICATB-JTQLQIEISA-N 1 0 264.300 3.351 20 5 CGBDRO C[C@@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128782 634049833 /nfs/dbraw/zinc/04/98/33/634049833.db2.gz WLMYNPDFBZUHJQ-RWMBFGLXSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000873013781 634230620 /nfs/dbraw/zinc/23/06/20/634230620.db2.gz HAYCXJFUZIZETR-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO COC1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873131731 634252782 /nfs/dbraw/zinc/25/27/82/634252782.db2.gz YQZGZGNBVGTEIT-UHFFFAOYSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1c(C[NH2+]CC2(OC(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000873167641 634269547 /nfs/dbraw/zinc/26/95/47/634269547.db2.gz MWOZORBIORXEAR-UHFFFAOYSA-N 1 0 292.379 3.341 20 5 CGBDRO Cc1ccc(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000873253162 634302223 /nfs/dbraw/zinc/30/22/23/634302223.db2.gz URGOHPCVPYSPIO-HOTGVXAUSA-N 1 0 297.358 3.138 20 5 CGBDRO C[C@@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000873296920 634324109 /nfs/dbraw/zinc/32/41/09/634324109.db2.gz NTPAFOGNHKOGKX-XFBWCDHKSA-N 1 0 297.358 3.390 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000877635437 635124918 /nfs/dbraw/zinc/12/49/18/635124918.db2.gz QZMDKCPCXQDNLJ-CHWSQXEVSA-N 1 0 260.337 3.053 20 5 CGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000842168014 635303949 /nfs/dbraw/zinc/30/39/49/635303949.db2.gz ZKSXMGYBZAHIRA-OUAUKWLOSA-N 1 0 266.316 3.210 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878356051 635473356 /nfs/dbraw/zinc/47/33/56/635473356.db2.gz PJVLXDITSJSWHL-SWLSCSKDSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235649 635947467 /nfs/dbraw/zinc/94/74/67/635947467.db2.gz RBNDAEGRQTZXOU-RYUDHWBXSA-N 1 0 266.316 3.337 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000880465173 636005618 /nfs/dbraw/zinc/00/56/18/636005618.db2.gz BAKHPUIYLYXYNA-IUODEOHRSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000846040640 636136712 /nfs/dbraw/zinc/13/67/12/636136712.db2.gz XNLRDVXDEWLSDW-OLZOCXBDSA-N 1 0 286.734 3.389 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000846073438 636141735 /nfs/dbraw/zinc/14/17/35/636141735.db2.gz NSOSSNSPZMLDHF-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO CSCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130749344 636506897 /nfs/dbraw/zinc/50/68/97/636506897.db2.gz BAZXACUCRZPROW-VIFPVBQESA-N 1 0 288.800 3.479 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000883245621 636613875 /nfs/dbraw/zinc/61/38/75/636613875.db2.gz OMTHPLISOVTPQQ-QWRGUYRKSA-N 1 0 264.300 3.351 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1C=CCC1 ZINC000883246034 636613986 /nfs/dbraw/zinc/61/39/86/636613986.db2.gz YIRZXSAIZWNGAS-SMDDNHRTSA-N 1 0 258.321 3.138 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000850450116 637070843 /nfs/dbraw/zinc/07/08/43/637070843.db2.gz CPTSMMDIBYXFAB-MNOVXSKESA-N 1 0 278.352 3.443 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C=CCC1)C1CC1 ZINC000850506440 637094454 /nfs/dbraw/zinc/09/44/54/637094454.db2.gz AWTJWBPHKVHBMZ-LSDHHAIUSA-N 1 0 272.348 3.224 20 5 CGBDRO C[C@@H]([NH2+]CC[C@]1(C)CC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850537697 637112779 /nfs/dbraw/zinc/11/27/79/637112779.db2.gz XMKKKYRYDLDPKK-NOZJJQNGSA-N 1 0 299.321 3.263 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850540113 637113791 /nfs/dbraw/zinc/11/37/91/637113791.db2.gz KSIONDAYPFYUNF-NOZJJQNGSA-N 1 0 263.341 3.016 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850570614 637128833 /nfs/dbraw/zinc/12/88/33/637128833.db2.gz XQDXFARJLNMDKV-LLVKDONJSA-N 1 0 289.335 3.053 20 5 CGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016795 637366416 /nfs/dbraw/zinc/36/64/16/637366416.db2.gz LXAYGYGKXSASQK-TZMCWYRMSA-N 1 0 277.368 3.390 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000886114135 637420916 /nfs/dbraw/zinc/42/09/16/637420916.db2.gz HSZUMKXFLQKQPB-INIZCTEOSA-N 1 0 297.358 3.101 20 5 CGBDRO C[C@@H]1CC[C@@]2(CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122464 637425131 /nfs/dbraw/zinc/42/51/31/637425131.db2.gz BJOJBKNJAMLORM-IUODEOHRSA-N 1 0 275.352 3.002 20 5 CGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130125 637428925 /nfs/dbraw/zinc/42/89/25/637428925.db2.gz WPHKTUOHGBKRIR-OCCSQVGLSA-N 1 0 277.368 3.438 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1CCCO ZINC000925312180 638495235 /nfs/dbraw/zinc/49/52/35/638495235.db2.gz YENRFNUHIVOOBM-HIFRSBDPSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(Br)CC1 ZINC000925312121 638495256 /nfs/dbraw/zinc/49/52/56/638495256.db2.gz WTDGQYKZCJDKLT-VIFPVBQESA-N 1 0 299.168 3.000 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000925491457 638511018 /nfs/dbraw/zinc/51/10/18/638511018.db2.gz FGXGYWXSJDVIFG-NWDGAFQWSA-N 1 0 286.335 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927025712 638833233 /nfs/dbraw/zinc/83/32/33/638833233.db2.gz YKPNNSGOWDSMEX-SWLSCSKDSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+](C)C)CC1 ZINC000931349161 639138642 /nfs/dbraw/zinc/13/86/42/639138642.db2.gz VIVGJSOKVHFMCE-ZDUSSCGKSA-N 1 0 291.395 3.072 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000215603024 640058354 /nfs/dbraw/zinc/05/83/54/640058354.db2.gz BEPSJIRBSQFWBZ-GFCCVEGCSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246294763 640668842 /nfs/dbraw/zinc/66/88/42/640668842.db2.gz PDYJCKBHUJYINK-GDBMZVCRSA-N 1 0 292.379 3.283 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774160 640802082 /nfs/dbraw/zinc/80/20/82/640802082.db2.gz ZMWBPRALXGYNJR-PHIMTYICSA-N 1 0 266.316 3.497 20 5 CGBDRO C[NH2+]CCNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001156892179 805746852 /nfs/dbraw/zinc/74/68/52/805746852.db2.gz OIJDZHUVDDCRRD-UHFFFAOYSA-N 1 0 286.766 3.068 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1C[NH3+] ZINC001159735167 806163857 /nfs/dbraw/zinc/16/38/57/806163857.db2.gz PMTCNNMPRCZLIB-UHFFFAOYSA-N 1 0 257.293 3.106 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccncc1 ZINC001254530878 806444332 /nfs/dbraw/zinc/44/43/32/806444332.db2.gz BLFMKXOWXHGAQL-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254530692 806444613 /nfs/dbraw/zinc/44/46/13/806444613.db2.gz AWMSLZIWCGJLGX-NSHDSACASA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001254550278 806447600 /nfs/dbraw/zinc/44/76/00/806447600.db2.gz HCKSHZGFJGZAOJ-CHWSQXEVSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552004 806448226 /nfs/dbraw/zinc/44/82/26/806448226.db2.gz HVNMKVOXDFUUGW-VXGBXAGGSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccncc1 ZINC001254552076 806449332 /nfs/dbraw/zinc/44/93/32/806449332.db2.gz JBGMQTDXVSKQQX-ZDUSSCGKSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H](F)C1 ZINC001254553354 806449787 /nfs/dbraw/zinc/44/97/87/806449787.db2.gz VIIGVJLNHPGVCP-OCCSQVGLSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H](F)C1 ZINC001254553352 806450119 /nfs/dbraw/zinc/45/01/19/806450119.db2.gz VIIGVJLNHPGVCP-GXTWGEPZSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H]1CCCC[C@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564832 806451162 /nfs/dbraw/zinc/45/11/62/806451162.db2.gz ATJQRESDNODFQL-INWMFGNUSA-N 1 0 288.391 3.478 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCCO1 ZINC001254561639 806451638 /nfs/dbraw/zinc/45/16/38/806451638.db2.gz HIDSDUVBQQOZGV-UKRRQHHQSA-N 1 0 292.379 3.027 20 5 CGBDRO C[NH2+]Cc1cccc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254560130 806451717 /nfs/dbraw/zinc/45/17/17/806451717.db2.gz PKNBMCYTTACPAH-CYBMUJFWSA-N 1 0 299.374 3.357 20 5 CGBDRO Cc1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254567425 806453339 /nfs/dbraw/zinc/45/33/39/806453339.db2.gz NUCLYOVTTWVQKE-INIZCTEOSA-N 1 0 282.343 3.160 20 5 CGBDRO CC1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCC1 ZINC001254566962 806453524 /nfs/dbraw/zinc/45/35/24/806453524.db2.gz LROJUQMJOFOKKQ-CQSZACIVSA-N 1 0 274.364 3.232 20 5 CGBDRO CC(C)[N@H+](CC1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598537 806458351 /nfs/dbraw/zinc/45/83/51/806458351.db2.gz HLWUZWYZCKIFGF-INIZCTEOSA-N 1 0 274.364 3.182 20 5 CGBDRO C[N@H+](Cc1ccsc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604894 806460083 /nfs/dbraw/zinc/46/00/83/806460083.db2.gz YENHCIPYVXQIPD-OAHLLOKOSA-N 1 0 288.372 3.256 20 5 CGBDRO CCCC(C[NH3+])(CCC)Nc1ncc([N+](=O)[O-])cc1C ZINC001163035164 806693533 /nfs/dbraw/zinc/69/35/33/806693533.db2.gz HMNIPVXNCWSRMQ-UHFFFAOYSA-N 1 0 280.372 3.008 20 5 CGBDRO CCC(C)(C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000686312585 799733868 /nfs/dbraw/zinc/73/38/68/799733868.db2.gz DOJPRXXDQDPNEB-AWEZNQCLSA-N 1 0 280.368 3.044 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(F)F ZINC000697108295 799842446 /nfs/dbraw/zinc/84/24/46/799842446.db2.gz FKJCXKPSQUCHMF-UHFFFAOYSA-N 1 0 272.295 3.366 20 5 CGBDRO CSC1CC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000708255698 799984004 /nfs/dbraw/zinc/98/40/04/799984004.db2.gz CESJQVJCRCZUKE-KPPDAEKUSA-N 1 0 266.366 3.139 20 5 CGBDRO CSC1CC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000708258475 799984289 /nfs/dbraw/zinc/98/42/89/799984289.db2.gz PFWRHLUXUDVTPU-FJJSSXBZSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1c(C[NH2+]CCCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000710107252 800029595 /nfs/dbraw/zinc/02/95/95/800029595.db2.gz DJKJGKOIEOKGBR-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000714348750 800119910 /nfs/dbraw/zinc/11/99/10/800119910.db2.gz CNNMCKQBNQBBOU-ZDUSSCGKSA-N 1 0 278.352 3.032 20 5 CGBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895330432 800581179 /nfs/dbraw/zinc/58/11/79/800581179.db2.gz PNOUYIPSUSRFQH-SNVBAGLBSA-N 1 0 296.367 3.223 20 5 CGBDRO O[C@]1(CNc2ccc3cc4ccccc4cc3c2)CC[NH2+]C1 ZINC001245966395 804090879 /nfs/dbraw/zinc/09/08/79/804090879.db2.gz PIHKHESTNKXLEP-LJQANCHMSA-N 1 0 292.382 3.129 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccccc1C[NH+](C)C ZINC001249546224 805172115 /nfs/dbraw/zinc/17/21/15/805172115.db2.gz WAFYHUNQYHQMIG-UHFFFAOYSA-N 1 0 286.335 3.103 20 5 CGBDRO Cc1cccc([C@H]2CCCC[N@@H+]2CC[N+](=O)[O-])c1C ZINC001167490917 807199584 /nfs/dbraw/zinc/19/95/84/807199584.db2.gz JVYDDNOXRVWGLJ-OAHLLOKOSA-N 1 0 262.353 3.107 20 5 CGBDRO Cc1ccc([C@@H](C)Nc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)nc1 ZINC001168855455 807530546 /nfs/dbraw/zinc/53/05/46/807530546.db2.gz WCUUWEHWRCJDDF-LLVKDONJSA-N 1 0 298.346 3.075 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168956211 807541528 /nfs/dbraw/zinc/54/15/28/807541528.db2.gz AHMLDAOKADBEEE-KCQAQPDRSA-N 1 0 262.353 3.091 20 5 CGBDRO CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168966571 807542744 /nfs/dbraw/zinc/54/27/44/807542744.db2.gz JNLGOEWAMWXCAE-LSDHHAIUSA-N 1 0 292.379 3.009 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001168965891 807542988 /nfs/dbraw/zinc/54/29/88/807542988.db2.gz DFNGCJKUCWTXOG-YPMHNXCESA-N 1 0 290.388 3.436 20 5 CGBDRO Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168968051 807544285 /nfs/dbraw/zinc/54/42/85/807544285.db2.gz VEBIFARZKFUYSC-YDHLFZDLSA-N 1 0 262.353 3.091 20 5 CGBDRO CC(C)(C)CC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978101 807546170 /nfs/dbraw/zinc/54/61/70/807546170.db2.gz OJCHZKLYHIAUGP-RYUDHWBXSA-N 1 0 256.390 3.236 20 5 CGBDRO CC(C)(Cc1ccccc1F)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168980374 807546179 /nfs/dbraw/zinc/54/61/79/807546179.db2.gz DAWNDNMBCZJXGN-GXTWGEPZSA-N 1 0 294.370 3.182 20 5 CGBDRO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168984711 807546744 /nfs/dbraw/zinc/54/67/44/807546744.db2.gz QFDNZUWJKWPAAE-KYOSRNDESA-N 1 0 296.798 3.306 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1OC ZINC001168987546 807548340 /nfs/dbraw/zinc/54/83/40/807548340.db2.gz JMZAJKKXGBBCGX-GUTXKFCHSA-N 1 0 292.379 3.181 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168994069 807549310 /nfs/dbraw/zinc/54/93/10/807549310.db2.gz OLKBODZADRSXOA-FZMZJTMJSA-N 1 0 280.343 3.096 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC001169010949 807551371 /nfs/dbraw/zinc/55/13/71/807551371.db2.gz GMVVBYNWNXQZQI-UONOGXRCSA-N 1 0 266.385 3.088 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCCCCCCC2)C1 ZINC001169047902 807558702 /nfs/dbraw/zinc/55/87/02/807558702.db2.gz SKSBMLOGVMMALY-KGLIPLIRSA-N 1 0 254.374 3.088 20 5 CGBDRO CC(F)(F)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001262232140 807839313 /nfs/dbraw/zinc/83/93/13/807839313.db2.gz WAZQEAFIIOZJJV-UHFFFAOYSA-N 1 0 284.306 3.388 20 5 CGBDRO O=[N+]([O-])c1cc(NC[C@H]2CCCC[NH2+]2)cc2ccccc21 ZINC001171340468 808031558 /nfs/dbraw/zinc/03/15/58/808031558.db2.gz QXQCYPLKFIOLSU-CYBMUJFWSA-N 1 0 285.347 3.302 20 5 CGBDRO CC/C=C/[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903575 808476173 /nfs/dbraw/zinc/47/61/73/808476173.db2.gz RHZFLHROTRVTDT-JBJDWBBVSA-N 1 0 260.337 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H](F)C1)CC2 ZINC001172908513 808476442 /nfs/dbraw/zinc/47/64/42/808476442.db2.gz DAQSMVQYKKXEKT-LSDHHAIUSA-N 1 0 292.354 3.276 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1F ZINC001173210890 808537532 /nfs/dbraw/zinc/53/75/32/808537532.db2.gz PAKXYJKHEGTCHH-NILFDRSVSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC(C)C1 ZINC001173222529 808540515 /nfs/dbraw/zinc/54/05/15/808540515.db2.gz SUYXKUMUJPMCOS-MQYJIDSJSA-N 1 0 262.353 3.256 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H](F)C1 ZINC001173228921 808542585 /nfs/dbraw/zinc/54/25/85/808542585.db2.gz NPXGKERCZDQLLI-TZMCWYRMSA-N 1 0 280.343 3.350 20 5 CGBDRO CO[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234110 808543032 /nfs/dbraw/zinc/54/30/32/808543032.db2.gz MTAWPQYKPSXEOG-XNRPHZJLSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1cc2c(cn1)CN([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232725 808543649 /nfs/dbraw/zinc/54/36/49/808543649.db2.gz HIHTUZDPHIWMSM-CYBMUJFWSA-N 1 0 297.358 3.245 20 5 CGBDRO Cn1cc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)cn1 ZINC001174330185 808954923 /nfs/dbraw/zinc/95/49/23/808954923.db2.gz TWASAFPUQWYQGG-UHFFFAOYSA-N 1 0 289.342 3.447 20 5 CGBDRO CC[C@]1(CCc2ccccc2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC001175758646 809534445 /nfs/dbraw/zinc/53/44/45/809534445.db2.gz QXKDLTNKLVRSOI-MRXNPFEDSA-N 1 0 276.380 3.141 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOCC12CCCC2 ZINC001176966296 809771692 /nfs/dbraw/zinc/77/16/92/809771692.db2.gz WIGAJWZLRZFIGW-HNNXBMFYSA-N 1 0 290.363 3.034 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@]23CCCOC3)c1 ZINC001177008376 809773210 /nfs/dbraw/zinc/77/32/10/809773210.db2.gz JAMXNGMQKIEYRF-MRXNPFEDSA-N 1 0 290.363 3.130 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001186873345 810368834 /nfs/dbraw/zinc/36/88/34/810368834.db2.gz WILKGKMOEKLHBY-JSGCOSHPSA-N 1 0 293.342 3.163 20 5 CGBDRO Cc1ccnc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC001203523098 812382277 /nfs/dbraw/zinc/38/22/77/812382277.db2.gz YEJMTWMPCUOPLR-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO O=[N+]([O-])c1cc(Nc2cc[nH+]c(C3CC3)c2)ccc1O ZINC001210395725 814441954 /nfs/dbraw/zinc/44/19/54/814441954.db2.gz DICFDFMFYQORFW-UHFFFAOYSA-N 1 0 271.276 3.316 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217911300 815998890 /nfs/dbraw/zinc/99/88/90/815998890.db2.gz XMRUXQSRZZAWDC-XIKOKIGWSA-N 1 0 278.355 3.265 20 5 CGBDRO CC(C)(C)c1ccc(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217972463 816024590 /nfs/dbraw/zinc/02/45/90/816024590.db2.gz RSUFGFYWOVEJQZ-ZDUSSCGKSA-N 1 0 292.379 3.413 20 5 CGBDRO Cc1cc(O[C@H]2CCC[NH2+]C[C@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001217996861 816042664 /nfs/dbraw/zinc/04/26/64/816042664.db2.gz WHFSUKYMHYQPEZ-RISCZKNCSA-N 1 0 292.379 3.287 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001218023468 816059185 /nfs/dbraw/zinc/05/91/85/816059185.db2.gz IKXIOSFQKFUZCR-NOZJJQNGSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[NH2+]1 ZINC001218039563 816069071 /nfs/dbraw/zinc/06/90/71/816069071.db2.gz CWNZZRBLKXASQD-SJKOYZFVSA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CC[NH2+]C3)c2ccccc21 ZINC001218062017 816081049 /nfs/dbraw/zinc/08/10/49/816081049.db2.gz HVLYBEQFBSSUJT-UHFFFAOYSA-N 1 0 298.342 3.269 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218096130 816096392 /nfs/dbraw/zinc/09/63/92/816096392.db2.gz SSXCPTRCAGTKQG-ZIAGYGMSSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc21 ZINC001218136785 816110857 /nfs/dbraw/zinc/11/08/57/816110857.db2.gz HFCKEYFMLUGKIJ-CLLJXQQHSA-N 1 0 298.342 3.125 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC3(C[NH2+]C3)C2)c2ccccc21 ZINC001218234595 816134611 /nfs/dbraw/zinc/13/46/11/816134611.db2.gz IUQPWFXRIHUBQL-GFCCVEGCSA-N 1 0 298.342 3.269 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[C@H]3[NH2+]CC[C@H]3C2)c2ccccc21 ZINC001218246321 816139190 /nfs/dbraw/zinc/13/91/90/816139190.db2.gz MCZJKOZYBLQMQI-YWPYICTPSA-N 1 0 298.342 3.267 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218308987 816160528 /nfs/dbraw/zinc/16/05/28/816160528.db2.gz LGCUPERUACKRPC-LBPRGKRZSA-N 1 0 296.754 3.302 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001218386034 816185434 /nfs/dbraw/zinc/18/54/34/816185434.db2.gz JPRACZDTKKEAMZ-MEBBXXQBSA-N 1 0 295.338 3.143 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218484381 816239123 /nfs/dbraw/zinc/23/91/23/816239123.db2.gz SUXGOTYFEZPDET-ABAIWWIYSA-N 1 0 286.331 3.125 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027444 816723050 /nfs/dbraw/zinc/72/30/50/816723050.db2.gz VIWAJNYKVUXYDC-SWLSCSKDSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](OCCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001224990949 816924464 /nfs/dbraw/zinc/92/44/64/816924464.db2.gz JGMNZJMYMJAITA-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO Cc1nc2ccc(Cl)cc2c(O[C@@H](C)C[N+](C)(C)C)n1 ZINC001226682583 817431946 /nfs/dbraw/zinc/43/19/46/817431946.db2.gz JVTILXQUZGPSME-JTQLQIEISA-N 1 0 294.806 3.065 20 5 CGBDRO Cc1ccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001226953238 817515914 /nfs/dbraw/zinc/51/59/14/817515914.db2.gz WSULKQNNNBDJMM-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO Cc1ccc2cc(O[C@H](C)C[N+](C)(C)C)ccc2n1 ZINC001227277934 817616216 /nfs/dbraw/zinc/61/62/16/817616216.db2.gz ZASGFYZEHFAGLZ-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[C@H](C)OC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227414185 817643364 /nfs/dbraw/zinc/64/33/64/817643364.db2.gz OPACITZCWKGFSB-UONOGXRCSA-N 1 0 294.415 3.115 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(C)(C)C ZINC001227469526 817656136 /nfs/dbraw/zinc/65/61/36/817656136.db2.gz BANQGARWFNYGFP-ZDUSSCGKSA-N 1 0 250.406 3.458 20 5 CGBDRO Cc1cccc(Br)c1O[C@H](C)C[N+](C)(C)C ZINC001227808476 817726739 /nfs/dbraw/zinc/72/67/39/817726739.db2.gz OKRRHXJUVHFLGC-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001228838127 818017599 /nfs/dbraw/zinc/01/75/99/818017599.db2.gz MQIUXILBNLZLRF-MQMHXKEQSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1c(C)c(O[C@@H](C)C[N+](C)(C)C)c(C)c(C)c1O ZINC001231338975 818078231 /nfs/dbraw/zinc/07/82/31/818078231.db2.gz DYXXZBMEHJVAEI-JTQLQIEISA-O 1 0 266.405 3.099 20 5 CGBDRO Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234869850 818939856 /nfs/dbraw/zinc/93/98/56/818939856.db2.gz CYGNTCMDYPSCAH-AWEZNQCLSA-N 1 0 292.379 3.382 20 5 CGBDRO O=[N+]([O-])c1ncccc1Nc1cccc(C[NH+]2CCCC2)c1 ZINC001351772865 937024704 /nfs/dbraw/zinc/02/47/04/937024704.db2.gz XWZBSUOQEGXNSF-UHFFFAOYSA-N 1 0 298.346 3.329 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001458488324 937465024 /nfs/dbraw/zinc/46/50/24/937465024.db2.gz DVIWEOFRRGXMMX-HUUCEWRRSA-N 1 0 289.379 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC001458617757 937470285 /nfs/dbraw/zinc/47/02/85/937470285.db2.gz KXXLKVWDMUOEJQ-OAHLLOKOSA-N 1 0 297.358 3.054 20 5 CGBDRO CCC1(CC)CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001459652742 937494695 /nfs/dbraw/zinc/49/46/95/937494695.db2.gz UUHWSXIGLVLEJM-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1(C)CC1 ZINC001460886490 937550609 /nfs/dbraw/zinc/55/06/09/937550609.db2.gz AEEILFLBLBNMDA-VIFPVBQESA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228922228 932051820 /nfs/dbraw/zinc/05/18/20/932051820.db2.gz XCRUPRVKZKZLQZ-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C(C)(C)C ZINC001229530397 932168152 /nfs/dbraw/zinc/16/81/52/932168152.db2.gz OAEUXLJZOKKUAP-ZDUSSCGKSA-N 1 0 280.432 3.466 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001230724068 932614653 /nfs/dbraw/zinc/61/46/53/932614653.db2.gz RGMHOJCHLOFVFO-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC001307229771 932932761 /nfs/dbraw/zinc/93/27/61/932932761.db2.gz GZVRCOMRFNMZNC-NSHDSACASA-N 1 0 295.770 3.002 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307710419 932989473 /nfs/dbraw/zinc/98/94/73/932989473.db2.gz UZIKIATUJNVOEP-XJKCOSOUSA-N 1 0 292.379 3.388 20 5 CGBDRO CC1([NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CC1 ZINC001318590012 933750413 /nfs/dbraw/zinc/75/04/13/933750413.db2.gz VBAFMXWXLPEXLZ-UHFFFAOYSA-N 1 0 289.360 3.360 20 5 CGBDRO Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001324027530 934450158 /nfs/dbraw/zinc/45/01/58/934450158.db2.gz VLASUGVWVHXEPC-JSGCOSHPSA-N 1 0 295.358 3.327 20 5 CGBDRO CC(C)[C@H](CNc1ccsc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001472650838 937779200 /nfs/dbraw/zinc/77/92/00/937779200.db2.gz OFOIEZUOEHXIOT-LBPRGKRZSA-N 1 0 283.397 3.189 20 5 CGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC001472775717 937783446 /nfs/dbraw/zinc/78/34/46/937783446.db2.gz FLMNWEGSRSKDIN-CQSZACIVSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC001473403108 937805354 /nfs/dbraw/zinc/80/53/54/937805354.db2.gz QSJQWNYCAXIEGQ-WDEREUQCSA-N 1 0 289.335 3.356 20 5 CGBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)c2ccccc21 ZINC001334683916 936107993 /nfs/dbraw/zinc/10/79/93/936107993.db2.gz FNYIEPWFQDPCLC-SNVBAGLBSA-N 1 0 278.739 3.421 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001559219352 938222762 /nfs/dbraw/zinc/22/27/62/938222762.db2.gz KWIDHGWUPCJRKK-MNOVXSKESA-N 1 0 283.397 3.105 20 5 CGBDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Oc2ccccc2)cc1 ZINC001559711828 938233252 /nfs/dbraw/zinc/23/32/52/938233252.db2.gz UOYYKHKMOCMQDP-ZDUSSCGKSA-N 1 0 286.331 3.406 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cc1F ZINC001560426441 938257982 /nfs/dbraw/zinc/25/79/82/938257982.db2.gz JQNVHNQUVUGBSS-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC2(CCC2)C1 ZINC001560876125 938281245 /nfs/dbraw/zinc/28/12/45/938281245.db2.gz WMOMTVXPIDLZOF-UHFFFAOYSA-N 1 0 260.337 3.198 20 5 CGBDRO Cc1c(CN(Cc2ccncc2)C2CC2)cccc1[N+](=O)[O-] ZINC000124869336 187158690 /nfs/dbraw/zinc/15/86/90/187158690.db2.gz RKBXXPLLXIYAAE-UHFFFAOYSA-N 1 0 297.358 3.463 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590647171 346858551 /nfs/dbraw/zinc/85/85/51/346858551.db2.gz DNGLGGDBRAEJKH-FRRDWIJNSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+]C[C@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399370 529622120 /nfs/dbraw/zinc/62/21/20/529622120.db2.gz DSXDXNSQVUZDNO-GJZGRUSLSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250763 529619128 /nfs/dbraw/zinc/61/91/28/529619128.db2.gz VGLBWFUONNNFSY-IRXDYDNUSA-N 1 0 299.374 3.336 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CC)[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414301803 529654686 /nfs/dbraw/zinc/65/46/86/529654686.db2.gz TZAZZLXKBZUAIH-HRCADAONSA-N 1 0 294.395 3.431 20 5 CGBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000358506338 529681522 /nfs/dbraw/zinc/68/15/22/529681522.db2.gz MJEZCGREVJTBBN-LBPRGKRZSA-N 1 0 285.347 3.403 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000592399641 346984810 /nfs/dbraw/zinc/98/48/10/346984810.db2.gz PJDFHAYZUQJHQI-PVXIVEMSSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1cc(OCc2ccc3c(c2)C[NH2+]CC3)ccc1[N+](=O)[O-] ZINC000593013662 347027048 /nfs/dbraw/zinc/02/70/48/347027048.db2.gz QVKVUCMPEBOMAB-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000593016638 347028064 /nfs/dbraw/zinc/02/80/64/347028064.db2.gz UZPLQAVENOPKBF-UHFFFAOYSA-N 1 0 294.351 3.002 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118753 347042362 /nfs/dbraw/zinc/04/23/62/347042362.db2.gz YHURJBYHBRFGJJ-ZWNOBZJWSA-N 1 0 282.290 3.387 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000040624248 344964985 /nfs/dbraw/zinc/96/49/85/344964985.db2.gz XWROIFMWOYMNDC-ZDUSSCGKSA-N 1 0 277.368 3.045 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000063302160 345245864 /nfs/dbraw/zinc/24/58/64/345245864.db2.gz DMWHYECIDOHLAR-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2ccncc2)C2CC2)cc1 ZINC000124900361 232188680 /nfs/dbraw/zinc/18/86/80/232188680.db2.gz DEGDCIKGVJSKTC-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000091372565 345812702 /nfs/dbraw/zinc/81/27/02/345812702.db2.gz ICGRLQFCMLYSBA-MRXNPFEDSA-N 1 0 285.347 3.477 20 5 CGBDRO CCCC[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089882802 345775717 /nfs/dbraw/zinc/77/57/17/345775717.db2.gz OWMYTHMWYMBHEO-UHFFFAOYSA-N 1 0 289.335 3.482 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O)cccc1[N+](=O)[O-] ZINC000090085154 345780540 /nfs/dbraw/zinc/78/05/40/345780540.db2.gz RLNNMYKUAVEWKB-YPMHNXCESA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000092626597 345848270 /nfs/dbraw/zinc/84/82/70/345848270.db2.gz GWBOXXCMPPAPFO-CQSZACIVSA-N 1 0 291.395 3.436 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCc2ccccc2CC1 ZINC000116300563 345976470 /nfs/dbraw/zinc/97/64/70/345976470.db2.gz HDSKAEKRSLXDCI-UHFFFAOYSA-N 1 0 282.343 3.196 20 5 CGBDRO CC[NH+]1CCC(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227888866 346312037 /nfs/dbraw/zinc/31/20/37/346312037.db2.gz ONSKREQIJXGIGV-UHFFFAOYSA-N 1 0 299.321 3.017 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000300420468 346437850 /nfs/dbraw/zinc/43/78/50/346437850.db2.gz KHMBFPNWPTXIOW-OUJBWJOFSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000404301865 346599341 /nfs/dbraw/zinc/59/93/41/346599341.db2.gz ZWJWJOFXAAXFMF-ZDUSSCGKSA-N 1 0 277.349 3.292 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](F)C1 ZINC000588231376 346756743 /nfs/dbraw/zinc/75/67/43/346756743.db2.gz SPGYMQKQGORMOG-KWCYVHTRSA-N 1 0 280.343 3.396 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589609013 346802600 /nfs/dbraw/zinc/80/26/00/346802600.db2.gz LDJSDBLYXVLLOB-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594497613 347179321 /nfs/dbraw/zinc/17/93/21/347179321.db2.gz IQLBDILYNJFIDI-PEYYIBSZSA-N 1 0 290.363 3.129 20 5 CGBDRO CC1(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594501000 347180193 /nfs/dbraw/zinc/18/01/93/347180193.db2.gz DINSYOKBRHVUGG-CYBMUJFWSA-N 1 0 260.337 3.362 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594508174 347182236 /nfs/dbraw/zinc/18/22/36/347182236.db2.gz SEBIRHOEBFHHCJ-ZWKOPEQDSA-N 1 0 278.377 3.066 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1=CCCC1 ZINC000594991026 347250160 /nfs/dbraw/zinc/25/01/60/347250160.db2.gz XWNZZGQTHSHOJE-UITAMQMPSA-N 1 0 258.321 3.308 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C1CC1 ZINC000595004115 347253818 /nfs/dbraw/zinc/25/38/18/347253818.db2.gz NRLSAGRZLHBHPR-NXEZZACHSA-N 1 0 264.325 3.053 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000594996697 347252178 /nfs/dbraw/zinc/25/21/78/347252178.db2.gz ZFYODRNEPNKRAX-HNNXBMFYSA-N 1 0 296.342 3.029 20 5 CGBDRO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1C ZINC000594998002 347252775 /nfs/dbraw/zinc/25/27/75/347252775.db2.gz DQMDOGGNFVLKRD-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CC(C)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000595001178 347253133 /nfs/dbraw/zinc/25/31/33/347253133.db2.gz RIJMPUQRQGGRKN-UHFFFAOYSA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000595109976 347284980 /nfs/dbraw/zinc/28/49/80/347284980.db2.gz XZOKOWFKDBGMPT-OLZOCXBDSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109119 347285024 /nfs/dbraw/zinc/28/50/24/347285024.db2.gz UIXMMCSKSDGOQA-WCQYABFASA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289502 347287553 /nfs/dbraw/zinc/28/75/53/347287553.db2.gz SMKMQACOEVKRRA-SNVBAGLBSA-N 1 0 254.305 3.210 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595424321 347301566 /nfs/dbraw/zinc/30/15/66/347301566.db2.gz WMOAXFXJICAVLT-GFCCVEGCSA-N 1 0 286.372 3.307 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCS1 ZINC000595011760 347256613 /nfs/dbraw/zinc/25/66/13/347256613.db2.gz DJKBJKPSNAOEDU-PWSUYJOCSA-N 1 0 296.392 3.150 20 5 CGBDRO CC(C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000595419229 347300391 /nfs/dbraw/zinc/30/03/91/347300391.db2.gz ISAYIYJWWKTVHU-CLLJXQQHSA-N 1 0 274.364 3.466 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595066277 347276111 /nfs/dbraw/zinc/27/61/11/347276111.db2.gz HRFHTQYWZGRPPX-DOMZBBRYSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000595080062 347278878 /nfs/dbraw/zinc/27/88/78/347278878.db2.gz IYXPBFUBQDPUJY-ZIAGYGMSSA-N 1 0 260.337 3.360 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(C)(C)F ZINC000595082590 347279720 /nfs/dbraw/zinc/27/97/20/347279720.db2.gz BBTCLGYFAGNIBZ-JTQLQIEISA-N 1 0 284.331 3.392 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440740 347303866 /nfs/dbraw/zinc/30/38/66/347303866.db2.gz GTBIEDRJKVXHSW-GWCFXTLKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000595453608 347305825 /nfs/dbraw/zinc/30/58/25/347305825.db2.gz QGMINPRBUIPNDT-ZYHUDNBSSA-N 1 0 281.356 3.292 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC12CCCC2 ZINC000595567173 347320531 /nfs/dbraw/zinc/32/05/31/347320531.db2.gz JVDSXNSTYOQKDO-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595593048 347322825 /nfs/dbraw/zinc/32/28/25/347322825.db2.gz MPOBSFGDOBWFJG-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000596306790 347413956 /nfs/dbraw/zinc/41/39/56/347413956.db2.gz ICYZUCDVVIZERS-GFCCVEGCSA-N 1 0 277.368 3.127 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc([N+](=O)[O-])c1 ZINC000595858055 347368190 /nfs/dbraw/zinc/36/81/90/347368190.db2.gz RFDXJUHYDFVECY-CLYYMRHHSA-N 1 0 266.366 3.419 20 5 CGBDRO COc1cc(C[N@H+](C)C[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000595910234 347371405 /nfs/dbraw/zinc/37/14/05/347371405.db2.gz RXPYYYXUKWXHFV-LBPRGKRZSA-N 1 0 278.352 3.081 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596090011 347382688 /nfs/dbraw/zinc/38/26/88/347382688.db2.gz TVCUKUCIEVXMKG-NSHDSACASA-N 1 0 283.397 3.109 20 5 CGBDRO C[C@@H](CCNc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000596427987 347455325 /nfs/dbraw/zinc/45/53/25/347455325.db2.gz CNZFDLNVYHNTEZ-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000596476294 347463808 /nfs/dbraw/zinc/46/38/08/347463808.db2.gz BUGPBLJCLOLEKW-NSHDSACASA-N 1 0 295.408 3.475 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597222032 347556460 /nfs/dbraw/zinc/55/64/60/347556460.db2.gz BBCNEVDBILMXHV-UZKRYLTISA-N 1 0 272.348 3.340 20 5 CGBDRO COc1ccc(C[NH2+]CC[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000599001365 347705535 /nfs/dbraw/zinc/70/55/35/347705535.db2.gz RZGPIKYUAGEWBW-ZDUSSCGKSA-N 1 0 290.363 3.439 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OCC ZINC000599058715 347712356 /nfs/dbraw/zinc/71/23/56/347712356.db2.gz FRQQYSSZWGCNRX-IUODEOHRSA-N 1 0 292.379 3.377 20 5 CGBDRO O=[N+]([O-])c1c(N[C@H]2[C@@H]3CCC[C@@H]32)ccc2cnccc21 ZINC000599074321 347714368 /nfs/dbraw/zinc/71/43/68/347714368.db2.gz PXKBSFIHCURWND-IMRBUKKESA-N 1 0 269.304 3.353 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000599164782 347722463 /nfs/dbraw/zinc/72/24/63/347722463.db2.gz MNNBZNGOYTWRMY-OAHLLOKOSA-N 1 0 275.352 3.024 20 5 CGBDRO C[C@@H]1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C[NH2+]1 ZINC000600788006 347835825 /nfs/dbraw/zinc/83/58/25/347835825.db2.gz CUMKTPLLIANLIJ-ABAIWWIYSA-N 1 0 283.331 3.122 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc(C[C@H]3CC[NH2+]C3)c2)cc1 ZINC000600787760 347835875 /nfs/dbraw/zinc/83/58/75/347835875.db2.gz FBSZAJNPEWSQSQ-CQSZACIVSA-N 1 0 282.343 3.414 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1conc1C ZINC000601141482 347874238 /nfs/dbraw/zinc/87/42/38/347874238.db2.gz DVYQPIFFUVMCJK-IZZDOVSWSA-N 1 0 287.319 3.084 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000601289814 347889412 /nfs/dbraw/zinc/88/94/12/347889412.db2.gz TWPJKSYWGTVSJU-DZGCQCFKSA-N 1 0 280.368 3.187 20 5 CGBDRO CCOCC(C)(C)[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000339358902 215120230 /nfs/dbraw/zinc/12/02/30/215120230.db2.gz ABUPOLFRHHSXSP-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CC[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602436998 347958267 /nfs/dbraw/zinc/95/82/67/347958267.db2.gz CEQCSUOIKIMSSB-UHFFFAOYSA-N 1 0 262.231 3.065 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000602662939 348003529 /nfs/dbraw/zinc/00/35/29/348003529.db2.gz OOMBOMKZUQXVMR-FGTMMUONSA-N 1 0 294.354 3.065 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCO[C@@H]1C ZINC000602762249 348024760 /nfs/dbraw/zinc/02/47/60/348024760.db2.gz DECIOXOPRDASRL-UKRRQHHQSA-N 1 0 292.379 3.230 20 5 CGBDRO Cc1c(CN2CCC[C@H]2c2ncccn2)cccc1[N+](=O)[O-] ZINC000602901113 348041932 /nfs/dbraw/zinc/04/19/32/348041932.db2.gz WSDRTAOFHUULSH-HNNXBMFYSA-N 1 0 298.346 3.030 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1cccnc1[N+](=O)[O-] ZINC000603859713 348099288 /nfs/dbraw/zinc/09/92/88/348099288.db2.gz MLOAAKOFZDRELR-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000604435526 348120241 /nfs/dbraw/zinc/12/02/41/348120241.db2.gz NSLLKCQTUYJVPI-HNNXBMFYSA-N 1 0 262.353 3.258 20 5 CGBDRO CC1(C)CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000608886225 348333546 /nfs/dbraw/zinc/33/35/46/348333546.db2.gz QIRWUIXIEZTPCK-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000609560385 348346794 /nfs/dbraw/zinc/34/67/94/348346794.db2.gz JQQNGGDYALVAJY-LLVKDONJSA-N 1 0 283.397 3.190 20 5 CGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000610215396 348367702 /nfs/dbraw/zinc/36/77/02/348367702.db2.gz PBDAXBMYGNDUGJ-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000610476544 348384450 /nfs/dbraw/zinc/38/44/50/348384450.db2.gz HBWUEYNPKIIAGJ-HNNXBMFYSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610133416 348363982 /nfs/dbraw/zinc/36/39/82/348363982.db2.gz OAFKJHUMZQHIOH-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610832621 348405921 /nfs/dbraw/zinc/40/59/21/348405921.db2.gz WJHHZQWKCXWAKQ-JHJVBQTASA-N 1 0 278.352 3.061 20 5 CGBDRO CC[NH+](CC)CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411499 348448354 /nfs/dbraw/zinc/44/83/54/348448354.db2.gz HLXUNLPBPXRATC-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO C[N@H+](CCNc1sccc1[N+](=O)[O-])Cc1ccccc1 ZINC000611411784 348449087 /nfs/dbraw/zinc/44/90/87/348449087.db2.gz PBSAJJOXPIBSML-UHFFFAOYSA-N 1 0 291.376 3.200 20 5 CGBDRO C[C@@H](CCNc1ccsc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000612113636 348495467 /nfs/dbraw/zinc/49/54/67/348495467.db2.gz NNCUPRISMPGJCF-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])s1)[NH+]1CCCCC1 ZINC000612114152 348495836 /nfs/dbraw/zinc/49/58/36/348495836.db2.gz LXYIZJPYBIRZJT-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C1CCCC1 ZINC000612577303 348529817 /nfs/dbraw/zinc/52/98/17/348529817.db2.gz WUYSBBDSGRVUJE-UHFFFAOYSA-N 1 0 292.379 3.294 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219065 348659096 /nfs/dbraw/zinc/65/90/96/348659096.db2.gz KHIPXLCZHMQESL-GXFFZTMASA-N 1 0 289.335 3.356 20 5 CGBDRO CC1(C)CC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000614822960 348695356 /nfs/dbraw/zinc/69/53/56/348695356.db2.gz AJQVEIIZQFPGFL-UHFFFAOYSA-N 1 0 266.316 3.260 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccn1 ZINC000615720049 348761960 /nfs/dbraw/zinc/76/19/60/348761960.db2.gz HZTVZHOTPVLBGC-UKTHLTGXSA-N 1 0 283.331 3.183 20 5 CGBDRO CCOc1cc(C[N@H+](C)CCC(C)C)ccc1[N+](=O)[O-] ZINC000617196069 348928431 /nfs/dbraw/zinc/92/84/31/348928431.db2.gz NDUIOLLQZGQWGX-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)s1 ZINC000617976626 349032247 /nfs/dbraw/zinc/03/22/47/349032247.db2.gz ABHWQTHJUFPULL-LLVKDONJSA-N 1 0 281.381 3.085 20 5 CGBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000618287200 349067214 /nfs/dbraw/zinc/06/72/14/349067214.db2.gz YBUYVFQMVQMGNA-UHFFFAOYSA-N 1 0 288.351 3.234 20 5 CGBDRO CC(C)CC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352151736 219337931 /nfs/dbraw/zinc/33/79/31/219337931.db2.gz UJWNQLGFAHKVJS-NSHDSACASA-N 1 0 290.367 3.385 20 5 CGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C[N@@H+]1C1CC1 ZINC000122262873 187022762 /nfs/dbraw/zinc/02/27/62/187022762.db2.gz IYFAUUMZQMYZDX-ZJUUUORDSA-N 1 0 295.770 3.285 20 5 CGBDRO C[C@H]1C[N@@H+](Cc2csc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000122885192 187057438 /nfs/dbraw/zinc/05/74/38/187057438.db2.gz UUYWMEVFGKVORU-UWVGGRQHSA-N 1 0 254.355 3.134 20 5 CGBDRO CSCCC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132450104 187629333 /nfs/dbraw/zinc/62/93/33/187629333.db2.gz PBIHAELJCMXMHP-AWEZNQCLSA-N 1 0 294.420 3.259 20 5 CGBDRO Cc1cncc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])c1 ZINC000292114899 198168173 /nfs/dbraw/zinc/16/81/73/198168173.db2.gz JNORVCZMPVBWRD-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO CCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000135624031 187844034 /nfs/dbraw/zinc/84/40/34/187844034.db2.gz QHDRCEJUDKWQBI-UHFFFAOYSA-N 1 0 264.325 3.026 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2ccncc2)C2CC2)c1 ZINC000153233705 188071073 /nfs/dbraw/zinc/07/10/73/188071073.db2.gz NZFKCGYSXLZUIL-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO COC1(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000293711240 198741785 /nfs/dbraw/zinc/74/17/85/198741785.db2.gz MUDCPOYHMZRYSN-GFCCVEGCSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CCC([NH+](C)C)CC1 ZINC000420622664 235757855 /nfs/dbraw/zinc/75/78/55/235757855.db2.gz GNEGPEPUBAUBII-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426455467 236296154 /nfs/dbraw/zinc/29/61/54/236296154.db2.gz SQZNDHCEJOPCIM-IUODEOHRSA-N 1 0 290.363 3.368 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000178660964 189135832 /nfs/dbraw/zinc/13/58/32/189135832.db2.gz LYMZCPVOFYIZFN-FZMZJTMJSA-N 1 0 280.368 3.307 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301078315 200909021 /nfs/dbraw/zinc/90/90/21/200909021.db2.gz HPMPRFOCQWQXDV-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@H]1C[C@@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000301414341 201000616 /nfs/dbraw/zinc/00/06/16/201000616.db2.gz LKKXHRTWXKVHFM-QWRGUYRKSA-N 1 0 297.786 3.167 20 5 CGBDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000342328803 216313464 /nfs/dbraw/zinc/31/34/64/216313464.db2.gz HDPDGTAHLBYCEB-VXGBXAGGSA-N 1 0 280.368 3.231 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(F)c1 ZINC000449068695 239157206 /nfs/dbraw/zinc/15/72/06/239157206.db2.gz ULFBQMOYZUYSMN-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCC23CCC3)c1 ZINC000449214378 239248291 /nfs/dbraw/zinc/24/82/91/239248291.db2.gz YPIOJQSRYMGLJD-OAHLLOKOSA-N 1 0 274.364 3.450 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CC(F)(F)C1 ZINC000449333397 239321342 /nfs/dbraw/zinc/32/13/42/239321342.db2.gz BKKZDAWWYWPMMD-SNVBAGLBSA-N 1 0 284.306 3.161 20 5 CGBDRO COCC[C@H](C)[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546333 240320835 /nfs/dbraw/zinc/32/08/35/240320835.db2.gz IVKSXCMJNNHSQM-ZFWWWQNUSA-N 1 0 292.379 3.199 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459739037 242200563 /nfs/dbraw/zinc/20/05/63/242200563.db2.gz APOXQRMAMBQQLP-CEDMHZTKSA-N 1 0 272.348 3.386 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459781869 242230772 /nfs/dbraw/zinc/23/07/72/242230772.db2.gz YPLQTNHDJWIHIZ-MYZSUADSSA-N 1 0 274.364 3.304 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396399 243190265 /nfs/dbraw/zinc/19/02/65/243190265.db2.gz FVQDMMSYBGVCCL-SWLSCSKDSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)CCC(C)C)cc1[N+](=O)[O-] ZINC000482816764 243244962 /nfs/dbraw/zinc/24/49/62/243244962.db2.gz CPQFZVBYMXKNEO-HIFRSBDPSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000483128671 243261031 /nfs/dbraw/zinc/26/10/31/243261031.db2.gz IRDNBKKPLGXZHM-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@@H]([NH2+]C/C=C\c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000486923686 243378783 /nfs/dbraw/zinc/37/87/83/243378783.db2.gz HYTDVVOKXSHTEY-DHCBQETCSA-N 1 0 283.331 3.354 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000487572461 243452974 /nfs/dbraw/zinc/45/29/74/243452974.db2.gz LIVBKRMQTNHRKF-SMDDNHRTSA-N 1 0 262.353 3.162 20 5 CGBDRO CCC[C@@H]([NH2+]CCOCC)c1cccc([N+](=O)[O-])c1 ZINC000036228461 369013600 /nfs/dbraw/zinc/01/36/00/369013600.db2.gz ZHQFDLAVLUNKPK-CQSZACIVSA-N 1 0 266.341 3.062 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000037509472 369086983 /nfs/dbraw/zinc/08/69/83/369086983.db2.gz YZSVSRNXQSFRLB-NSHDSACASA-N 1 0 272.304 3.151 20 5 CGBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000037859954 369119063 /nfs/dbraw/zinc/11/90/63/369119063.db2.gz ZRHULNWFEOPTER-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000037999306 369137393 /nfs/dbraw/zinc/13/73/93/369137393.db2.gz KBGOYPYJHNEGNI-LBPRGKRZSA-N 1 0 295.358 3.268 20 5 CGBDRO CC[C@H]([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000049574600 369411221 /nfs/dbraw/zinc/41/12/21/369411221.db2.gz HJJHLLGAYRRRQZ-INIZCTEOSA-N 1 0 291.395 3.121 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051686151 369451573 /nfs/dbraw/zinc/45/15/73/369451573.db2.gz ZSZFORORODYOGW-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000062050715 369614765 /nfs/dbraw/zinc/61/47/65/369614765.db2.gz JFYYUVQPTQSPGH-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CSCCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069433031 369760204 /nfs/dbraw/zinc/76/02/04/369760204.db2.gz QDBOGDFUNOONDG-LLVKDONJSA-N 1 0 268.382 3.307 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000072743724 369836066 /nfs/dbraw/zinc/83/60/66/369836066.db2.gz FRCZFULZHJJKJG-HNNXBMFYSA-N 1 0 292.379 3.198 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344000659 217010298 /nfs/dbraw/zinc/01/02/98/217010298.db2.gz XOAQEXIFBSUFGI-CYBMUJFWSA-N 1 0 290.363 3.225 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cs1 ZINC000136694060 371481891 /nfs/dbraw/zinc/48/18/91/371481891.db2.gz MSODGLSZENJQRB-GFCCVEGCSA-N 1 0 296.392 3.238 20 5 CGBDRO COCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000336811945 213681545 /nfs/dbraw/zinc/68/15/45/213681545.db2.gz PIEWDIULGILBIP-UHFFFAOYSA-N 1 0 286.759 3.010 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152470804 371697831 /nfs/dbraw/zinc/69/78/31/371697831.db2.gz MQNBNHRYKQAGNL-KGLIPLIRSA-N 1 0 294.395 3.353 20 5 CGBDRO CCCCOCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153230838 371757459 /nfs/dbraw/zinc/75/74/59/371757459.db2.gz LMURNEXBUHFYTG-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000344083853 217043108 /nfs/dbraw/zinc/04/31/08/217043108.db2.gz ZOLQNMRNJOAKMD-GFCCVEGCSA-N 1 0 294.420 3.259 20 5 CGBDRO COC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000344085185 217042880 /nfs/dbraw/zinc/04/28/80/217042880.db2.gz CRFQLRXRJRQNIA-UHFFFAOYSA-N 1 0 292.379 3.076 20 5 CGBDRO CN(Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-])C1CC1 ZINC000290077901 371896639 /nfs/dbraw/zinc/89/66/39/371896639.db2.gz UUGIFZQNDFTGEW-UHFFFAOYSA-N 1 0 275.135 3.496 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000290126659 371911701 /nfs/dbraw/zinc/91/17/01/371911701.db2.gz JSFUKXKSAZRAHS-IJLUTSLNSA-N 1 0 296.367 3.068 20 5 CGBDRO C[C@@H](NCC1([NH3+])CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423198201 372023370 /nfs/dbraw/zinc/02/33/70/372023370.db2.gz DPTASMIOWQWTIO-CYBMUJFWSA-N 1 0 291.395 3.297 20 5 CGBDRO CCN1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159292387 372127546 /nfs/dbraw/zinc/12/75/46/372127546.db2.gz MCCGAJFIHNHAGM-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000171145977 372720905 /nfs/dbraw/zinc/72/09/05/372720905.db2.gz KOXZYWASZOWXED-UHFFFAOYSA-N 1 0 285.347 3.400 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CCCC3)o2)c1 ZINC000171049324 372703411 /nfs/dbraw/zinc/70/34/11/372703411.db2.gz JIPRSIPZBJXBOI-UHFFFAOYSA-N 1 0 272.304 3.451 20 5 CGBDRO COc1ccc(C[N@H+](C)C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000353448737 220087201 /nfs/dbraw/zinc/08/72/01/220087201.db2.gz ORXDEPQXNAFWPT-CYBMUJFWSA-N 1 0 290.363 3.392 20 5 CGBDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171921048 372854111 /nfs/dbraw/zinc/85/41/11/372854111.db2.gz VCZNVWXPUNCPAQ-LBPRGKRZSA-N 1 0 271.320 3.183 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc(Cl)o1 ZINC000344620299 217250532 /nfs/dbraw/zinc/25/05/32/217250532.db2.gz XMIHKWROYJWKCM-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO CO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852376 372935281 /nfs/dbraw/zinc/93/52/81/372935281.db2.gz DQGXSESYTPLSAD-DOMZBBRYSA-N 1 0 292.379 3.403 20 5 CGBDRO C[C@H]([NH2+]CCCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000296127256 373029011 /nfs/dbraw/zinc/02/90/11/373029011.db2.gz UEQLIAODZIEJMY-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154045 373038332 /nfs/dbraw/zinc/03/83/32/373038332.db2.gz UEFUVBQHKVDWAZ-IUODEOHRSA-N 1 0 292.379 3.403 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444642270 373219727 /nfs/dbraw/zinc/21/97/27/373219727.db2.gz SVEGTROFKDAAIY-NSHDSACASA-N 1 0 290.367 3.339 20 5 CGBDRO COC[C@@]1(C)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296702219 373222941 /nfs/dbraw/zinc/22/29/41/373222941.db2.gz MMVRFUFRZFWPAP-CJNGLKHVSA-N 1 0 292.379 3.323 20 5 CGBDRO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751568 373235049 /nfs/dbraw/zinc/23/50/49/373235049.db2.gz PSCSOWQCUYQCFK-ZFWWWQNUSA-N 1 0 291.395 3.120 20 5 CGBDRO CCCC[N@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000447069212 373398705 /nfs/dbraw/zinc/39/87/05/373398705.db2.gz OEUIHRDBEJSYGD-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC2CCCC2)n1 ZINC000447551407 373450459 /nfs/dbraw/zinc/45/04/59/373450459.db2.gz QFALEADTYFTFOY-ZIAGYGMSSA-N 1 0 292.383 3.055 20 5 CGBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000176335649 373583466 /nfs/dbraw/zinc/58/34/66/373583466.db2.gz BNPQOZRSZSLGJM-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO CCC(CC)[N@H+](CC)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289552303 197399343 /nfs/dbraw/zinc/39/93/43/197399343.db2.gz XFCCYLLWCZKZQS-HNNXBMFYSA-N 1 0 280.368 3.139 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCC1(F)F ZINC000449491211 373781497 /nfs/dbraw/zinc/78/14/97/373781497.db2.gz FUVWDPVTEDPLQA-GFCCVEGCSA-N 1 0 284.306 3.428 20 5 CGBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000179484491 373879416 /nfs/dbraw/zinc/87/94/16/373879416.db2.gz ZNMVBHKLEOXXFJ-FNORWQNLSA-N 1 0 260.337 3.481 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000449759974 373887353 /nfs/dbraw/zinc/88/73/53/373887353.db2.gz ZYYYXQLQVXCXRP-ZIAGYGMSSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000302835422 373981054 /nfs/dbraw/zinc/98/10/54/373981054.db2.gz VHTOUQYLIZGQAH-NSHDSACASA-N 1 0 297.786 3.310 20 5 CGBDRO CC[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CCS1 ZINC000183355701 374405504 /nfs/dbraw/zinc/40/55/04/374405504.db2.gz JGROKSGCNKUNDZ-AWEZNQCLSA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000453370990 374457544 /nfs/dbraw/zinc/45/75/44/374457544.db2.gz RMLMIJXAACROSI-LBPRGKRZSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332075501 374551530 /nfs/dbraw/zinc/55/15/30/374551530.db2.gz XYFKOXMCVDBMGR-KMUNFCNLSA-N 1 0 292.404 3.313 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459776464 374821347 /nfs/dbraw/zinc/82/13/47/374821347.db2.gz VIJDPWSDFMBRSJ-BYCMXARLSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000187293714 374999508 /nfs/dbraw/zinc/99/95/08/374999508.db2.gz NFWFEBXXXAYAKT-ADSMDIBLSA-N 1 0 290.363 3.121 20 5 CGBDRO CCOC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000474005749 375071561 /nfs/dbraw/zinc/07/15/61/375071561.db2.gz DILSPCQGFCIGCE-VIHMKRCTSA-N 1 0 292.379 3.259 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cs1 ZINC000335196529 375218968 /nfs/dbraw/zinc/21/89/68/375218968.db2.gz SBWVZNMEMUURPQ-GHMZBOCLSA-N 1 0 252.339 3.031 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1cccnc1)CCC2 ZINC000192649472 375774827 /nfs/dbraw/zinc/77/48/27/375774827.db2.gz QWGNOQUDTDGZDO-KRWDZBQOSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000195666962 376116929 /nfs/dbraw/zinc/11/69/29/376116929.db2.gz DVIPWDFHXAVLCO-VXGBXAGGSA-N 1 0 295.358 3.266 20 5 CGBDRO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536874446 376139303 /nfs/dbraw/zinc/13/93/03/376139303.db2.gz DCSUGPBZJPOZKN-JSGCOSHPSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1ccc([C@H](C)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915525 376223647 /nfs/dbraw/zinc/22/36/47/376223647.db2.gz KIWWLMXEECVHQX-AWEZNQCLSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000539061764 376289451 /nfs/dbraw/zinc/28/94/51/376289451.db2.gz XMZPGINEZCTJCT-AGIUHOORSA-N 1 0 278.352 3.121 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539293728 376302484 /nfs/dbraw/zinc/30/24/84/376302484.db2.gz WUZAKTOHYFKRAC-DUVNUKRYSA-N 1 0 292.379 3.369 20 5 CGBDRO C[N@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000227889921 376416467 /nfs/dbraw/zinc/41/64/67/376416467.db2.gz WOUHRMJQCIMVDE-UHFFFAOYSA-N 1 0 299.321 3.159 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000227986024 376421370 /nfs/dbraw/zinc/42/13/70/376421370.db2.gz PEJSQXICKBCEIM-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCSC2)c(Cl)c1 ZINC000226387676 376356623 /nfs/dbraw/zinc/35/66/23/376356623.db2.gz BXZCETIQXLIEPH-SECBINFHSA-N 1 0 286.784 3.091 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000541769105 376478524 /nfs/dbraw/zinc/47/85/24/376478524.db2.gz XHTGATTWYPNMKW-RYUDHWBXSA-N 1 0 262.353 3.381 20 5 CGBDRO C[C@@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230413349 376517135 /nfs/dbraw/zinc/51/71/35/376517135.db2.gz WYERAAXUHXHEBZ-ZJUUUORDSA-N 1 0 254.355 3.182 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NCCCCC[NH+]1CCCC1 ZINC000338759793 376517715 /nfs/dbraw/zinc/51/77/15/376517715.db2.gz WWKNBJLPLXCYDX-UHFFFAOYSA-N 1 0 295.358 3.412 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142927 376485953 /nfs/dbraw/zinc/48/59/53/376485953.db2.gz WMHLIHWWJHKCRR-JTQLQIEISA-N 1 0 268.744 3.384 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000231691942 376566568 /nfs/dbraw/zinc/56/65/68/376566568.db2.gz KQTSBQGIKOCLKR-CFVMTHIKSA-N 1 0 278.352 3.203 20 5 CGBDRO CCc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])nc1 ZINC000339185552 376731625 /nfs/dbraw/zinc/73/16/25/376731625.db2.gz LZPRZYKUIIIJHY-UHFFFAOYSA-N 1 0 299.374 3.227 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH+]1CCCC1 ZINC000147848247 542097640 /nfs/dbraw/zinc/09/76/40/542097640.db2.gz ZHYZXGIPUVMJMT-UHFFFAOYSA-N 1 0 274.242 3.209 20 5 CGBDRO CCOC[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245537764 376845633 /nfs/dbraw/zinc/84/56/33/376845633.db2.gz YQCDJVZXLPFDON-ZIAGYGMSSA-N 1 0 292.379 3.323 20 5 CGBDRO Cc1ccc(C[N@H+]2CCS[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000245787155 376907647 /nfs/dbraw/zinc/90/76/47/376907647.db2.gz VKWQACGFJMQDRA-NEPJUHHUSA-N 1 0 280.393 3.229 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000246881653 377109366 /nfs/dbraw/zinc/10/93/66/377109366.db2.gz DQPYROKXIPDSFJ-BSLXNSKLSA-N 1 0 290.363 3.059 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000560882332 377197243 /nfs/dbraw/zinc/19/72/43/377197243.db2.gz KUZHEARPYNPJCU-IHRRRGAJSA-N 1 0 292.379 3.105 20 5 CGBDRO COC[C@@H](C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521773 377324298 /nfs/dbraw/zinc/32/42/98/377324298.db2.gz WBHAGVYGMLFXNF-ZFWWWQNUSA-N 1 0 292.379 3.057 20 5 CGBDRO CC1(C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000562340143 377298201 /nfs/dbraw/zinc/29/82/01/377298201.db2.gz FJJUXNOYEBATFD-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000248888729 377420465 /nfs/dbraw/zinc/42/04/65/377420465.db2.gz ANLGJZXFLZRHRQ-KWCYVHTRSA-N 1 0 278.352 3.121 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000249019460 377444061 /nfs/dbraw/zinc/44/40/61/377444061.db2.gz JXPJQDGTZYITIS-AEGPPILISA-N 1 0 292.379 3.073 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272937 377482606 /nfs/dbraw/zinc/48/26/06/377482606.db2.gz DUHKBHDPLRCNHI-MNOVXSKESA-N 1 0 296.342 3.220 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090800822 249029965 /nfs/dbraw/zinc/02/99/65/249029965.db2.gz BWFBUXMCMVXFFI-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO Cc1cc(N[C@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000314389550 249095253 /nfs/dbraw/zinc/09/52/53/249095253.db2.gz SQGFWZIJIBKOJE-GFCCVEGCSA-N 1 0 295.358 3.329 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747082 377770602 /nfs/dbraw/zinc/77/06/02/377770602.db2.gz XLIWFQVFTUOKHN-KBPBESRZSA-N 1 0 292.379 3.404 20 5 CGBDRO CC(C)C[C@H](C)C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000577986948 378027586 /nfs/dbraw/zinc/02/75/86/378027586.db2.gz VOAIJGFKQUCHDM-ZDUSSCGKSA-N 1 0 264.369 3.409 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000578105971 378037805 /nfs/dbraw/zinc/03/78/05/378037805.db2.gz ZKBNCHUOQHNACM-GFCCVEGCSA-N 1 0 265.357 3.127 20 5 CGBDRO CCN(Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1F ZINC000271051876 378439388 /nfs/dbraw/zinc/43/93/88/378439388.db2.gz XRVDINJWKAVVSK-UHFFFAOYSA-N 1 0 289.310 3.151 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348288839 378888342 /nfs/dbraw/zinc/88/83/42/378888342.db2.gz KMUTWIGAHSSBKQ-GRYCIOLGSA-N 1 0 270.279 3.289 20 5 CGBDRO CCC[C@@H]([NH2+]CCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000274788838 378895458 /nfs/dbraw/zinc/89/54/58/378895458.db2.gz NKTDJWAHKNJYPL-CQSZACIVSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncc(F)c2)cc1[N+](=O)[O-] ZINC000275064832 378932908 /nfs/dbraw/zinc/93/29/08/378932908.db2.gz RNNRQDGBNBHNCY-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000276881208 379012720 /nfs/dbraw/zinc/01/27/20/379012720.db2.gz LAGKGSNUTWULCG-CABCVRRESA-N 1 0 294.395 3.431 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000278671810 194094617 /nfs/dbraw/zinc/09/46/17/194094617.db2.gz IGDQGADTMFBBQR-LLVKDONJSA-N 1 0 288.269 3.369 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277041568 379051574 /nfs/dbraw/zinc/05/15/74/379051574.db2.gz UBRWPGVEOUXOJZ-GXTWGEPZSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H](c3ccco3)C2)cccc1[N+](=O)[O-] ZINC000374004068 379358448 /nfs/dbraw/zinc/35/84/48/379358448.db2.gz UQBGXJIBBCJJDM-CQSZACIVSA-N 1 0 286.331 3.486 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@@H]1C ZINC000347607955 218289603 /nfs/dbraw/zinc/28/96/03/218289603.db2.gz UEZNIZDCULVCEL-MNOVXSKESA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@H]([NH2+]CCCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000266774723 190279726 /nfs/dbraw/zinc/27/97/26/190279726.db2.gz KSNZBKCRCKRNHN-NSHDSACASA-N 1 0 291.376 3.335 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(C(F)F)CC2)c1 ZINC000353700244 220267560 /nfs/dbraw/zinc/26/75/60/220267560.db2.gz CKAJQEXTPUBPCX-UHFFFAOYSA-N 1 0 270.279 3.072 20 5 CGBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000266903292 190289503 /nfs/dbraw/zinc/28/95/03/190289503.db2.gz AFKSJVCHPYPRFS-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000280176253 379630862 /nfs/dbraw/zinc/63/08/62/379630862.db2.gz UBVZQVRMJMDHHD-NWDGAFQWSA-N 1 0 280.393 3.307 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280216096 379643938 /nfs/dbraw/zinc/64/39/38/379643938.db2.gz KPKLESXPLSPLIY-IUODEOHRSA-N 1 0 280.368 3.043 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280229183 379648364 /nfs/dbraw/zinc/64/83/64/379648364.db2.gz AGXXFNPHBDCGJY-MRXNPFEDSA-N 1 0 292.379 3.294 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000267008193 190296525 /nfs/dbraw/zinc/29/65/25/190296525.db2.gz GMPAYJMUNMBJEK-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000280163815 379626919 /nfs/dbraw/zinc/62/69/19/379626919.db2.gz FMEQERFMFJGQBW-OAHLLOKOSA-N 1 0 296.342 3.125 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352545950 379853371 /nfs/dbraw/zinc/85/33/71/379853371.db2.gz NROQZSBHJZTZJI-KGLIPLIRSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402362007 379964377 /nfs/dbraw/zinc/96/43/77/379964377.db2.gz VYIIBCNOOFJXLJ-KGLIPLIRSA-N 1 0 292.379 3.371 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CCC(F)(F)F ZINC000282538611 379940161 /nfs/dbraw/zinc/94/01/61/379940161.db2.gz VTBQHUHXQUUYAT-UHFFFAOYSA-N 1 0 276.258 3.022 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985874 380264656 /nfs/dbraw/zinc/26/46/56/380264656.db2.gz FNTPATXWSGMPGU-BBRMVZONSA-N 1 0 291.395 3.120 20 5 CGBDRO COCC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000414508614 380283211 /nfs/dbraw/zinc/28/32/11/380283211.db2.gz DHTNHHKHSIJPGI-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO CC[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000419212632 380779135 /nfs/dbraw/zinc/77/91/35/380779135.db2.gz VCANJWAZTSPBSP-HNNXBMFYSA-N 1 0 280.368 3.230 20 5 CGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000419373625 380818731 /nfs/dbraw/zinc/81/87/31/380818731.db2.gz OMRVRSURJGKQCD-OUAUKWLOSA-N 1 0 289.335 3.212 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CC ZINC000421380170 380921337 /nfs/dbraw/zinc/92/13/37/380921337.db2.gz LVQFWBOPNNBWOM-LLVKDONJSA-N 1 0 266.341 3.129 20 5 CGBDRO C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000357120121 381036859 /nfs/dbraw/zinc/03/68/59/381036859.db2.gz UZYJMUUQFJBQAD-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000361346873 381709626 /nfs/dbraw/zinc/70/96/26/381709626.db2.gz REYVVXVZIKDNHH-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362315822 381940676 /nfs/dbraw/zinc/94/06/76/381940676.db2.gz IOKFHZGORGQTFL-MNOVXSKESA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362435031 381989962 /nfs/dbraw/zinc/98/99/62/381989962.db2.gz BZIQRFZADBXFPB-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362439876 381990413 /nfs/dbraw/zinc/99/04/13/381990413.db2.gz PWTJKYMNGLDLLJ-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[N@H+](C[C@@H](C)OC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577633 285016678 /nfs/dbraw/zinc/01/66/78/285016678.db2.gz NFTQRVHSFZKKGV-OLZOCXBDSA-N 1 0 280.368 3.321 20 5 CGBDRO CC[N@H+](Cc1ccncc1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000289382010 197320812 /nfs/dbraw/zinc/32/08/12/197320812.db2.gz BXLQVEXODOIIAC-UHFFFAOYSA-N 1 0 285.347 3.320 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c(F)c1 ZINC000350312142 219007693 /nfs/dbraw/zinc/00/76/93/219007693.db2.gz NMSUIQYSURVVHW-SNVBAGLBSA-N 1 0 288.269 3.401 20 5 CGBDRO CCO[C@H]1C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819809 220348015 /nfs/dbraw/zinc/34/80/15/220348015.db2.gz UYBYWGIPTBBLTP-CABCVRRESA-N 1 0 292.379 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCc3occc3C2)cc1 ZINC000288832016 197175922 /nfs/dbraw/zinc/17/59/22/197175922.db2.gz NZDRPGNZYDALKH-UHFFFAOYSA-N 1 0 286.331 3.179 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449291283 533510877 /nfs/dbraw/zinc/51/08/77/533510877.db2.gz KFCWMGJATKLVLZ-NSHDSACASA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263782 392271522 /nfs/dbraw/zinc/27/15/22/392271522.db2.gz XZBTXNWPTZEEFO-QWRGUYRKSA-N 1 0 288.351 3.234 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000237366285 131026127 /nfs/dbraw/zinc/02/61/27/131026127.db2.gz QWPLTXWWOQYPGK-HNNXBMFYSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000367079544 392468976 /nfs/dbraw/zinc/46/89/76/392468976.db2.gz GZYYETYDPIPQRD-DOMZBBRYSA-N 1 0 290.363 3.205 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000287495459 392400872 /nfs/dbraw/zinc/40/08/72/392400872.db2.gz YCRDFVWGKZTYDX-XHDPSFHLSA-N 1 0 290.363 3.086 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000505321396 392658622 /nfs/dbraw/zinc/65/86/22/392658622.db2.gz UIPWSEOSUJHLEE-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000505344157 392661526 /nfs/dbraw/zinc/66/15/26/392661526.db2.gz NVPGJEAGJMCXDY-VXGBXAGGSA-N 1 0 262.353 3.381 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000183044962 392751342 /nfs/dbraw/zinc/75/13/42/392751342.db2.gz TYDVUXVDJIDIRN-VHSXEESVSA-N 1 0 254.305 3.258 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000183044985 392751777 /nfs/dbraw/zinc/75/17/77/392751777.db2.gz TYDVUXVDJIDIRN-ZJUUUORDSA-N 1 0 254.305 3.258 20 5 CGBDRO CC[C@H](C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511104822 392828432 /nfs/dbraw/zinc/82/84/32/392828432.db2.gz GJJNEJYOYOXFMK-LBPRGKRZSA-N 1 0 250.342 3.115 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000519666072 392878829 /nfs/dbraw/zinc/87/88/29/392878829.db2.gz AOSZVSNEAPGRNF-LBPRGKRZSA-N 1 0 280.368 3.375 20 5 CGBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000393446422 392934072 /nfs/dbraw/zinc/93/40/72/392934072.db2.gz STFONDNOUWWEBO-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C/C=C\c2ccccc2)c1 ZINC000211303101 392985222 /nfs/dbraw/zinc/98/52/22/392985222.db2.gz WBDBONYMALUBII-UITAMQMPSA-N 1 0 268.316 3.398 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000352617871 393204233 /nfs/dbraw/zinc/20/42/33/393204233.db2.gz IXJQRTWEUBLMEI-UHFFFAOYSA-N 1 0 266.316 3.497 20 5 CGBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156374 393378823 /nfs/dbraw/zinc/37/88/23/393378823.db2.gz WOEDGADRASHLRR-JHJVBQTASA-N 1 0 262.353 3.461 20 5 CGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc([N+](=O)[O-])cc1Cl ZINC000420276641 393448413 /nfs/dbraw/zinc/44/84/13/393448413.db2.gz HXDYXJHIWFDXPQ-HZNSRWLBSA-N 1 0 295.770 3.176 20 5 CGBDRO C[C@H]1C[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357942 393496316 /nfs/dbraw/zinc/49/63/16/393496316.db2.gz QMLFCWDNTDWTCY-AAEUAGOBSA-N 1 0 260.337 3.215 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000430224861 393543691 /nfs/dbraw/zinc/54/36/91/393543691.db2.gz WROSSDZHBSXCEY-HNNXBMFYSA-N 1 0 290.363 3.368 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000430233188 393545406 /nfs/dbraw/zinc/54/54/06/393545406.db2.gz JXYANFRJRVJGKL-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO CC(C)[NH+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444674246 393790352 /nfs/dbraw/zinc/79/03/52/393790352.db2.gz ONZYGCDNWXSSCP-UHFFFAOYSA-N 1 0 276.340 3.090 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447600704 393865701 /nfs/dbraw/zinc/86/57/01/393865701.db2.gz NBPZDWBMMLTCKW-ZOBORPQBSA-N 1 0 292.383 3.053 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000449627405 393926065 /nfs/dbraw/zinc/92/60/65/393926065.db2.gz GHMHAXWIZSMBMU-YZNJAIBTSA-N 1 0 290.363 3.011 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000453409786 394237347 /nfs/dbraw/zinc/23/73/47/394237347.db2.gz GLGBCQPOGFKWTJ-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CO[C@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123188422 286038482 /nfs/dbraw/zinc/03/84/82/286038482.db2.gz OQFWCZYPLVMOMK-DFBGVHRSSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000222615864 292247838 /nfs/dbraw/zinc/24/78/38/292247838.db2.gz BDMHRZJGDFDRPP-SGIREYDYSA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000061362764 286958100 /nfs/dbraw/zinc/95/81/00/286958100.db2.gz SNVCASOJAZPNRS-NSHDSACASA-N 1 0 292.360 3.386 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000075683423 287027228 /nfs/dbraw/zinc/02/72/28/287027228.db2.gz REMJORJYBLAROR-NSHDSACASA-N 1 0 290.363 3.366 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1csc([N+](=O)[O-])c1 ZINC000077377739 165121390 /nfs/dbraw/zinc/12/13/90/165121390.db2.gz LEMPHHJVYCXFLS-UHFFFAOYSA-N 1 0 286.397 3.293 20 5 CGBDRO CC[C@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090224300 165232538 /nfs/dbraw/zinc/23/25/38/165232538.db2.gz HBNCWKSUNKPAJF-HNNXBMFYSA-N 1 0 278.352 3.062 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000020525989 171239057 /nfs/dbraw/zinc/23/90/57/171239057.db2.gz KMSQQFCZNRGDEQ-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000035694732 172363714 /nfs/dbraw/zinc/36/37/14/172363714.db2.gz QBIOHGSUPUINIY-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285420332 196278611 /nfs/dbraw/zinc/27/86/11/196278611.db2.gz GPNHZWNZSHICTA-WDEREUQCSA-N 1 0 298.770 3.010 20 5 CGBDRO Cc1ccc(NC[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000038042190 174045213 /nfs/dbraw/zinc/04/52/13/174045213.db2.gz FYRYRPIGRGNLTM-CQSZACIVSA-N 1 0 291.395 3.437 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCCC2)c(F)c1 ZINC000040435462 174261621 /nfs/dbraw/zinc/26/16/21/174261621.db2.gz UAUSQFHPNRUPLI-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO CO[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000418096582 228042003 /nfs/dbraw/zinc/04/20/03/228042003.db2.gz KFJLINXGWWAXRJ-LYASGUKUSA-N 1 0 292.379 3.259 20 5 CGBDRO CC(C)C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000037177166 270028823 /nfs/dbraw/zinc/02/88/23/270028823.db2.gz QBQQUHROVUHXNY-XJKSGUPXSA-N 1 0 293.411 3.222 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000325093972 270094998 /nfs/dbraw/zinc/09/49/98/270094998.db2.gz NMRGVFXBWGPQSX-AWEZNQCLSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845192 270099287 /nfs/dbraw/zinc/09/92/87/270099287.db2.gz OWNATOUDWAQETF-HIFRSBDPSA-N 1 0 292.379 3.484 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000527100240 270125410 /nfs/dbraw/zinc/12/54/10/270125410.db2.gz BUBCGFMRBWQJPB-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531958984 270211610 /nfs/dbraw/zinc/21/16/10/270211610.db2.gz JZGGQSOFKKJUEB-ZIAGYGMSSA-N 1 0 293.411 3.284 20 5 CGBDRO COC[C@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417341426 274047704 /nfs/dbraw/zinc/04/77/04/274047704.db2.gz NPEDQCSAPYCECH-WBMJQRKESA-N 1 0 292.379 3.234 20 5 CGBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000173231820 274133174 /nfs/dbraw/zinc/13/31/74/274133174.db2.gz VIZHIGHYEMCKPM-KRWDZBQOSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCOC1 ZINC000266764141 274278023 /nfs/dbraw/zinc/27/80/23/274278023.db2.gz QTOSDHCNTSZZIH-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO CC(C)(O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342259 275553383 /nfs/dbraw/zinc/55/33/83/275553383.db2.gz MGXBEXOUGPIYQB-HNNXBMFYSA-N 1 0 292.379 3.113 20 5 CGBDRO CC(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000150922605 275582276 /nfs/dbraw/zinc/58/22/76/275582276.db2.gz KTDYNKMREOJGFW-CQSZACIVSA-N 1 0 262.353 3.162 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000277309053 276033214 /nfs/dbraw/zinc/03/32/14/276033214.db2.gz SLZQNUIHMCJEBD-TZMCWYRMSA-N 1 0 280.393 3.215 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000250139126 276640100 /nfs/dbraw/zinc/64/01/00/276640100.db2.gz YQCTVBXCKFWVOC-QXSJWSMHSA-N 1 0 290.363 3.203 20 5 CGBDRO COC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000515867005 277469906 /nfs/dbraw/zinc/46/99/06/277469906.db2.gz FZKGCYMWLLUUMD-AWEZNQCLSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC12CCC2 ZINC000394743250 288003509 /nfs/dbraw/zinc/00/35/09/288003509.db2.gz TVEOTFYMCLRGGY-AWEZNQCLSA-N 1 0 260.337 3.407 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000397570026 288024327 /nfs/dbraw/zinc/02/43/27/288024327.db2.gz DEGWZXRTLOMCSL-WCQYABFASA-N 1 0 262.353 3.162 20 5 CGBDRO CCC[C@@H]([NH2+]CC1(N(C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000397789991 288030638 /nfs/dbraw/zinc/03/06/38/288030638.db2.gz CSGRKKNSVYNLKQ-OAHLLOKOSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000397808334 288031003 /nfs/dbraw/zinc/03/10/03/288031003.db2.gz SHSUNJAVYQXHGF-DGCLKSJQSA-N 1 0 262.353 3.427 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562049 288052471 /nfs/dbraw/zinc/05/24/71/288052471.db2.gz LWNDTSBUTZOTRE-CMPLNLGQSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000337263590 279685024 /nfs/dbraw/zinc/68/50/24/279685024.db2.gz RMOXYZYTWITWEZ-NWDGAFQWSA-N 1 0 266.341 3.059 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426461826 280225577 /nfs/dbraw/zinc/22/55/77/280225577.db2.gz POGZUNDDBWBXIW-DOMZBBRYSA-N 1 0 260.337 3.278 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC(F)(F)C2)cc1 ZINC000344832352 280364370 /nfs/dbraw/zinc/36/43/70/280364370.db2.gz XPMZJTBPRDRUQS-LLVKDONJSA-N 1 0 270.279 3.262 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC1CC1)C(C)C ZINC000532657279 288368363 /nfs/dbraw/zinc/36/83/63/288368363.db2.gz ORWBVFNAJJEPSG-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO COC(C)(C)C[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000533478795 288382727 /nfs/dbraw/zinc/38/27/27/288382727.db2.gz WNWNEASOOBKXTE-NSHDSACASA-N 1 0 266.341 3.013 20 5 CGBDRO C[C@H](F)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556234132 289378833 /nfs/dbraw/zinc/37/88/33/289378833.db2.gz VBUHCQPGONTFBS-FZMZJTMJSA-N 1 0 280.343 3.254 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000558131620 289474021 /nfs/dbraw/zinc/47/40/21/289474021.db2.gz IQRLXVLAQXDCEN-HZRUHFOJSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[C@H]1CCCO1 ZINC000449111441 298919186 /nfs/dbraw/zinc/91/91/86/298919186.db2.gz LZWBNAOWTFAQCQ-VNHYZAJKSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000163887023 321898938 /nfs/dbraw/zinc/89/89/38/321898938.db2.gz RLJQEIXJGALHCT-VXGBXAGGSA-N 1 0 288.351 3.049 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCO1 ZINC000565219507 322067218 /nfs/dbraw/zinc/06/72/18/322067218.db2.gz XXBBRSALYQLDRF-OFQRWUPVSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000568367404 322206486 /nfs/dbraw/zinc/20/64/86/322206486.db2.gz JAQRJUFCAVYGDX-FATJJJSSSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000570344755 322271499 /nfs/dbraw/zinc/27/14/99/322271499.db2.gz XBDDCHPXXNQHPQ-NHYWBVRUSA-N 1 0 283.331 3.328 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000571877770 322310167 /nfs/dbraw/zinc/31/01/67/322310167.db2.gz HLZBKJLUSNMLIX-MRXNPFEDSA-N 1 0 297.358 3.288 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOC(F)F ZINC000574904591 322462775 /nfs/dbraw/zinc/46/27/75/322462775.db2.gz JVPDZQMKHHLWEN-JTQLQIEISA-N 1 0 288.294 3.183 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]3C3CC3)c2c1 ZINC000584195837 327062924 /nfs/dbraw/zinc/06/29/24/327062924.db2.gz TWWCDYXPZHJMGI-GOEBONIOSA-N 1 0 299.374 3.397 20 5 CGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000583088401 329310193 /nfs/dbraw/zinc/31/01/93/329310193.db2.gz FUQQPHOLBMXAAK-CYBMUJFWSA-N 1 0 292.379 3.342 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584480268 329499857 /nfs/dbraw/zinc/49/98/57/329499857.db2.gz VTHGJVXKDQQARK-FZMZJTMJSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1cc(OCc2ccccc2[N+](=O)[O-])c(C)c(C)[nH+]1 ZINC000577550840 335367339 /nfs/dbraw/zinc/36/73/39/335367339.db2.gz SQOFACBBKPGOSH-UHFFFAOYSA-N 1 0 272.304 3.494 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@H]1C ZINC000414132755 533925444 /nfs/dbraw/zinc/92/54/44/533925444.db2.gz MTHOSGBBSBSLHU-PTRXPTGYSA-N 1 0 268.744 3.382 20 5 CGBDRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081519176 520134795 /nfs/dbraw/zinc/13/47/95/520134795.db2.gz AOIDFZKLCYGJNE-QWHCGFSZSA-N 1 0 278.352 3.014 20 5 CGBDRO CC(C)(CNc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000357956926 527183031 /nfs/dbraw/zinc/18/30/31/527183031.db2.gz HSZIOVWZYGMSOV-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC12CC2 ZINC000418105992 527502522 /nfs/dbraw/zinc/50/25/22/527502522.db2.gz YRDDWFKDOPFUTC-YRBHFNIASA-N 1 0 272.348 3.388 20 5 CGBDRO CC(C)CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540217 527704937 /nfs/dbraw/zinc/70/49/37/527704937.db2.gz ISMDAXHNEAQBFR-ZIAGYGMSSA-N 1 0 294.399 3.301 20 5 CGBDRO CC(C)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449065723 527742121 /nfs/dbraw/zinc/74/21/21/527742121.db2.gz VVZVPUJSJUBZFN-LBPRGKRZSA-N 1 0 250.342 3.162 20 5 CGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438122 527865127 /nfs/dbraw/zinc/86/51/27/527865127.db2.gz DAYIGLHLLNVUNR-CJNGLKHVSA-N 1 0 294.395 3.433 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000414147388 528086622 /nfs/dbraw/zinc/08/66/22/528086622.db2.gz QKYCGEROOGHYQY-KYOSRNDESA-N 1 0 278.352 3.201 20 5 CGBDRO CC[NH+](CC)CCCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000359300820 528099631 /nfs/dbraw/zinc/09/96/31/528099631.db2.gz HSGVQYWPQQZSHV-UHFFFAOYSA-N 1 0 279.384 3.437 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000131880932 528235374 /nfs/dbraw/zinc/23/53/74/528235374.db2.gz ZZMBDICKCLQOBB-ZFWWWQNUSA-N 1 0 280.368 3.187 20 5 CGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173457460 528287879 /nfs/dbraw/zinc/28/78/79/528287879.db2.gz OMDPEQGTWNHRCR-UONOGXRCSA-N 1 0 294.395 3.290 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CCCCF)cc1[N+](=O)[O-] ZINC000360995172 528605744 /nfs/dbraw/zinc/60/57/44/528605744.db2.gz HSDQLLOKLJVPPP-NSHDSACASA-N 1 0 284.331 3.394 20 5 CGBDRO CC/C=C/C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449450429 528787933 /nfs/dbraw/zinc/78/79/33/528787933.db2.gz BJKLKBHGTGNMBB-LVDDQXARSA-N 1 0 262.353 3.472 20 5 CGBDRO CCC([NH3+])(CC)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423282584 528953456 /nfs/dbraw/zinc/95/34/56/528953456.db2.gz CTXAXEUZLWIFEC-GFCCVEGCSA-N 1 0 279.384 3.071 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449247778 529321263 /nfs/dbraw/zinc/32/12/63/529321263.db2.gz HFNYCMANBYNXSG-AAEUAGOBSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000482891692 535509923 /nfs/dbraw/zinc/50/99/23/535509923.db2.gz ORHVXPINLWNWBT-CYBMUJFWSA-N 1 0 280.368 3.342 20 5 CGBDRO CC[C@@H]([NH2+]CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000268846402 535803406 /nfs/dbraw/zinc/80/34/06/535803406.db2.gz BNOSEYWYLKPINC-MRXNPFEDSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392159 536181126 /nfs/dbraw/zinc/18/11/26/536181126.db2.gz RZBKULRNWUVLIW-WFASDCNBSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H](COc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000728782504 571820687 /nfs/dbraw/zinc/82/06/87/571820687.db2.gz RWOUEBKEZISRFX-ZDUSSCGKSA-N 1 0 286.331 3.152 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000740870617 572463170 /nfs/dbraw/zinc/46/31/70/572463170.db2.gz GPNOPRPHYPHMLZ-VXGBXAGGSA-N 1 0 295.358 3.043 20 5 CGBDRO Cc1cccc(F)c1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000742379840 572570961 /nfs/dbraw/zinc/57/09/61/572570961.db2.gz BFJSXVYPTHHEFA-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO CCCN(CC[NH+]1CCCC1)c1cccc(F)c1[N+](=O)[O-] ZINC000804807804 617849530 /nfs/dbraw/zinc/84/95/30/617849530.db2.gz ATAPSMCSHSEJHB-UHFFFAOYSA-N 1 0 295.358 3.046 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000158613290 618643864 /nfs/dbraw/zinc/64/38/64/618643864.db2.gz AOOTWWBNWNGKSH-MPTQWLOMSA-N 1 0 292.379 3.043 20 5 CGBDRO COc1c(O)ccc(C[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000892478011 618799963 /nfs/dbraw/zinc/79/99/63/618799963.db2.gz APUDBGYCEWDNPM-UHFFFAOYSA-N 1 0 294.351 3.121 20 5 CGBDRO C[C@H](Cn1ccnc1)Nc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000235502030 618804495 /nfs/dbraw/zinc/80/44/95/618804495.db2.gz LQTNPZDPCRYCAN-MRVPVSSYSA-N 1 0 298.705 3.084 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000236248971 618850823 /nfs/dbraw/zinc/85/08/23/618850823.db2.gz XEYSWNNGVSUYFU-MRVPVSSYSA-N 1 0 299.733 3.036 20 5 CGBDRO C[C@H]([NH2+]C[Si](C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000180445915 618878920 /nfs/dbraw/zinc/87/89/20/618878920.db2.gz KCKQWFJWAJARBT-JTQLQIEISA-N 1 0 252.390 3.123 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000783285211 618907240 /nfs/dbraw/zinc/90/72/40/618907240.db2.gz GJJCCDKYANOCSW-SKDRFNHKSA-N 1 0 268.744 3.179 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1nccs1 ZINC000892761534 618932911 /nfs/dbraw/zinc/93/29/11/618932911.db2.gz UVLIKNQVNVAJGM-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893284014 619066592 /nfs/dbraw/zinc/06/65/92/619066592.db2.gz CDCADGQTJVRTOG-SMDDNHRTSA-N 1 0 298.770 3.153 20 5 CGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925156150 620206783 /nfs/dbraw/zinc/20/67/83/620206783.db2.gz ZABLISTXKWKPDU-ZBFHGGJFSA-N 1 0 294.395 3.057 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccnnc1)c1cccc([N+](=O)[O-])c1 ZINC000925231086 620252991 /nfs/dbraw/zinc/25/29/91/620252991.db2.gz RNRYSTTWMOADFE-XHDPSFHLSA-N 1 0 286.335 3.187 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463959 620340382 /nfs/dbraw/zinc/34/03/82/620340382.db2.gz DGLWWTOQTZCIBU-MGPQQGTHSA-N 1 0 292.379 3.103 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465041 620340656 /nfs/dbraw/zinc/34/06/56/620340656.db2.gz RHJWBVJPKUGWLO-BFHYXJOUSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cncs1 ZINC000897930000 620450445 /nfs/dbraw/zinc/45/04/45/620450445.db2.gz GMMKBESEPHKJCR-BXKDBHETSA-N 1 0 289.360 3.389 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000927014603 620561515 /nfs/dbraw/zinc/56/15/15/620561515.db2.gz PAQZHZYWFLNPQD-XHDPSFHLSA-N 1 0 296.342 3.344 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903084317 621564205 /nfs/dbraw/zinc/56/42/05/621564205.db2.gz XNPCFXHOVRPENZ-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903103819 621575547 /nfs/dbraw/zinc/57/55/47/621575547.db2.gz AJUPXWBRUQAISK-JQWIXIFHSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C2CC(C)C2)cc([N+](=O)[O-])c1 ZINC000903126805 621590692 /nfs/dbraw/zinc/59/06/92/621590692.db2.gz UFMUJKUYHBGBCR-SQLBVSGCSA-N 1 0 264.325 3.053 20 5 CGBDRO C[C@@H](Cc1ccccn1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244907 621637325 /nfs/dbraw/zinc/63/73/25/621637325.db2.gz GFQSSUQNWHUQKK-KGLIPLIRSA-N 1 0 299.374 3.314 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000903286681 621669837 /nfs/dbraw/zinc/66/98/37/621669837.db2.gz DZKREUDZBHYVBK-KYOSRNDESA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000903416883 621735485 /nfs/dbraw/zinc/73/54/85/621735485.db2.gz XEWCAJNDYVNDQG-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000054467933 623782811 /nfs/dbraw/zinc/78/28/11/623782811.db2.gz NHGJPQLVLASJEP-SECBINFHSA-N 1 0 256.733 3.384 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000227826187 625843772 /nfs/dbraw/zinc/84/37/72/625843772.db2.gz MZODDVIKTHOIFY-STQMWFEESA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C1CCCC1 ZINC000921976079 625950308 /nfs/dbraw/zinc/95/03/08/625950308.db2.gz LFCHTNRGCOTFEY-UHFFFAOYSA-N 1 0 268.744 3.323 20 5 CGBDRO C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000922542480 626012207 /nfs/dbraw/zinc/01/22/07/626012207.db2.gz WBGWGSFOQALFKF-LLVKDONJSA-N 1 0 298.346 3.113 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC000922805382 626047021 /nfs/dbraw/zinc/04/70/21/626047021.db2.gz MBINSPYPFBGGTP-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC[NH+]1CCCCC1 ZINC000124762800 634504179 /nfs/dbraw/zinc/50/41/79/634504179.db2.gz VLAJDBQYMIBENO-UHFFFAOYSA-N 1 0 283.759 3.146 20 5 CGBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOCC1 ZINC000761526412 627047886 /nfs/dbraw/zinc/04/78/86/627047886.db2.gz BXNWFIRYJZXFCO-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849383 627274684 /nfs/dbraw/zinc/27/46/84/627274684.db2.gz PVQDBWZMLXHQEX-LALPHHSUSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C[C@H]1C ZINC000766992328 627374631 /nfs/dbraw/zinc/37/46/31/627374631.db2.gz UBFIVCGQCIGSIE-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCOC1CCC1)CCC2 ZINC000774301115 627974178 /nfs/dbraw/zinc/97/41/78/627974178.db2.gz NVQXIJIQZOSNQD-MRXNPFEDSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC=CO1)CCC2 ZINC000774366658 627982476 /nfs/dbraw/zinc/98/24/76/627982476.db2.gz GSMAWOOSUQJPMI-ZBFHGGJFSA-N 1 0 288.347 3.255 20 5 CGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000774830902 628036046 /nfs/dbraw/zinc/03/60/46/628036046.db2.gz GIVLLAIGDIHHJU-HZMBPMFUSA-N 1 0 298.770 3.153 20 5 CGBDRO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000774836166 628037043 /nfs/dbraw/zinc/03/70/43/628037043.db2.gz QBWIKAUKOZNPRM-UHFFFAOYSA-N 1 0 293.323 3.268 20 5 CGBDRO CC(C)CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578599 628220385 /nfs/dbraw/zinc/22/03/85/628220385.db2.gz HHGVCBMPROJOIK-INIZCTEOSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000779346317 628409008 /nfs/dbraw/zinc/40/90/08/628409008.db2.gz WGVJSLPJFSLCIQ-PSASIEDQSA-N 1 0 289.162 3.439 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC=CO2)cc1Cl ZINC000783704175 628741657 /nfs/dbraw/zinc/74/16/57/628741657.db2.gz CEKWVBAQZGXKPS-LLVKDONJSA-N 1 0 282.727 3.031 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C(C)(C)O1 ZINC000788489325 629058690 /nfs/dbraw/zinc/05/86/90/629058690.db2.gz ONIOQIRNRLJVHE-CYBMUJFWSA-N 1 0 296.342 3.170 20 5 CGBDRO COCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000790999814 629248691 /nfs/dbraw/zinc/24/86/91/629248691.db2.gz PBALDHSVHLPGLT-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808728484 630671691 /nfs/dbraw/zinc/67/16/91/630671691.db2.gz PGQCDJOVHBWNGI-QMTHXVAHSA-N 1 0 273.336 3.007 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615563 631805915 /nfs/dbraw/zinc/80/59/15/631805915.db2.gz RTYHDAOQSMDAQP-CMPLNLGQSA-N 1 0 295.408 3.113 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817414212 632143165 /nfs/dbraw/zinc/14/31/65/632143165.db2.gz CKBKNBKEIIVHMR-CHWSQXEVSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000817414006 632143504 /nfs/dbraw/zinc/14/35/04/632143504.db2.gz BJKUKGFGSAKBPT-VXGBXAGGSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000823996623 633178894 /nfs/dbraw/zinc/17/88/94/633178894.db2.gz MPUUZUHQGFAGDV-AAEUAGOBSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000866634409 633223085 /nfs/dbraw/zinc/22/30/85/633223085.db2.gz DSFZVQCBLCYGDH-YNEHKIRRSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824766480 633285324 /nfs/dbraw/zinc/28/53/24/633285324.db2.gz VBFSKEMKRTURLM-VIFPVBQESA-N 1 0 295.191 3.330 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000122587943 633443858 /nfs/dbraw/zinc/44/38/58/633443858.db2.gz CYHXLXQZYSZQDO-JTQLQIEISA-N 1 0 295.770 3.144 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000122593428 633445128 /nfs/dbraw/zinc/44/51/28/633445128.db2.gz ZCBGOPFPLKDTIE-LLVKDONJSA-N 1 0 297.786 3.390 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000827252010 633475280 /nfs/dbraw/zinc/47/52/80/633475280.db2.gz TWJIDKBLVDCSGD-PWSUYJOCSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CNc1[nH+]ccn1C1CC1 ZINC000871863928 633902104 /nfs/dbraw/zinc/90/21/04/633902104.db2.gz JHYCSHSNQOHUQG-UHFFFAOYSA-N 1 0 286.335 3.355 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872069480 633990893 /nfs/dbraw/zinc/99/08/93/633990893.db2.gz QDTOMOLEAKBEDB-OSMZGAPFSA-N 1 0 296.342 3.342 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872070657 633991739 /nfs/dbraw/zinc/99/17/39/633991739.db2.gz VWAIALJGFKMHGQ-NSHDSACASA-N 1 0 296.342 3.201 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077996 634002004 /nfs/dbraw/zinc/00/20/04/634002004.db2.gz DDKYJHBWVGJUST-MNOVXSKESA-N 1 0 284.331 3.057 20 5 CGBDRO C[C@H]([NH2+]CCCC1(O)CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872079779 634003043 /nfs/dbraw/zinc/00/30/43/634003043.db2.gz JWDUICLWBKSQKU-NSHDSACASA-N 1 0 296.342 3.080 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081735 634006922 /nfs/dbraw/zinc/00/69/22/634006922.db2.gz JVVRKGJYZNNZOS-LOWVWBTDSA-N 1 0 298.358 3.182 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000832569241 634073585 /nfs/dbraw/zinc/07/35/85/634073585.db2.gz BVSAQTORHQGFIA-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832624700 634075584 /nfs/dbraw/zinc/07/55/84/634075584.db2.gz JLSJQXKHUGGYSO-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1c(C[NH2+]Cc2cccc(N(C)C)c2)cccc1[N+](=O)[O-] ZINC000873043052 634236151 /nfs/dbraw/zinc/23/61/51/634236151.db2.gz TXKBJUNLGFXBFF-UHFFFAOYSA-N 1 0 299.374 3.259 20 5 CGBDRO Cc1c(C[NH2+]CCNc2ccccc2)cccc1[N+](=O)[O-] ZINC000873073156 634241972 /nfs/dbraw/zinc/24/19/72/634241972.db2.gz KWXBIGHNLWNVAC-UHFFFAOYSA-N 1 0 285.347 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CSC3)o2)cc1 ZINC000877635078 635125747 /nfs/dbraw/zinc/12/57/47/635125747.db2.gz BMFDRWZENKFRMN-UHFFFAOYSA-N 1 0 290.344 3.060 20 5 CGBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000877701998 635152731 /nfs/dbraw/zinc/15/27/31/635152731.db2.gz GJXFBNFKKHNNHD-HNNXBMFYSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000877827647 635230312 /nfs/dbraw/zinc/23/03/12/635230312.db2.gz HHUUZIKXONMRGK-FXPVBKGRSA-N 1 0 270.279 3.289 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000879697752 635837522 /nfs/dbraw/zinc/83/75/22/635837522.db2.gz DDRPHEHAZGWJGD-UHFFFAOYSA-N 1 0 298.358 3.153 20 5 CGBDRO C[C@H]([NH2+]CC1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000846846980 636259584 /nfs/dbraw/zinc/25/95/84/636259584.db2.gz ZJRBSCJHXXAJLD-VIFPVBQESA-N 1 0 299.168 3.173 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C=CCC1 ZINC000883239236 636609064 /nfs/dbraw/zinc/60/90/64/636609064.db2.gz ZUGVKDSNDSANRW-WYOARUQKSA-N 1 0 258.321 3.164 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000883245620 636613635 /nfs/dbraw/zinc/61/36/35/636613635.db2.gz OMTHPLISOVTPQQ-MNOVXSKESA-N 1 0 264.300 3.351 20 5 CGBDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000883317359 636666860 /nfs/dbraw/zinc/66/68/60/636666860.db2.gz FFPBSRDMUNSGQJ-OKILXGFUSA-N 1 0 292.379 3.233 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000883351718 636693053 /nfs/dbraw/zinc/69/30/53/636693053.db2.gz LAYFCFBJRLYQRH-XPKDYRNWSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC2CC[NH2+]CC2)cc1Cl ZINC000134494532 637024767 /nfs/dbraw/zinc/02/47/67/637024767.db2.gz WMAPIACKQNRCIG-UHFFFAOYSA-N 1 0 284.743 3.017 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850392025 637045691 /nfs/dbraw/zinc/04/56/91/637045691.db2.gz DMPHYAFBYAFXGE-PTEHBNRSSA-N 1 0 266.728 3.136 20 5 CGBDRO CCC1([NH+]2CCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000884719119 637135776 /nfs/dbraw/zinc/13/57/76/637135776.db2.gz ZSMGURJBTCGKCO-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CCCC[NH+](CCCC)Cc1cccnc1[N+](=O)[O-] ZINC000885933040 637318578 /nfs/dbraw/zinc/31/85/78/637318578.db2.gz HSFSHMKHXOMSMF-UHFFFAOYSA-N 1 0 265.357 3.392 20 5 CGBDRO CCC[C@H](C)[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043887 637384208 /nfs/dbraw/zinc/38/42/08/637384208.db2.gz LYKUCZZVUYGZTC-JSGCOSHPSA-N 1 0 277.368 3.390 20 5 CGBDRO CC(C)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000886062458 637396003 /nfs/dbraw/zinc/39/60/03/637396003.db2.gz PTPJPVVGCXQHLH-UHFFFAOYSA-N 1 0 263.341 3.143 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000886086042 637402519 /nfs/dbraw/zinc/40/25/19/637402519.db2.gz GUPHJLBHCOCCND-CABCVRRESA-N 1 0 292.379 3.341 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000886215885 637461794 /nfs/dbraw/zinc/46/17/94/637461794.db2.gz SLPINFJVTOSAIN-OAHLLOKOSA-N 1 0 297.358 3.369 20 5 CGBDRO C[C@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccccc21 ZINC000886266979 637473637 /nfs/dbraw/zinc/47/36/37/637473637.db2.gz CIQCEWHEVHTXOJ-ZDUSSCGKSA-N 1 0 297.358 3.152 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000886289423 637487507 /nfs/dbraw/zinc/48/75/07/637487507.db2.gz VICQWYKZZUFGNV-JSGCOSHPSA-N 1 0 275.352 3.144 20 5 CGBDRO CCSCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000302311167 637897824 /nfs/dbraw/zinc/89/78/24/637897824.db2.gz FXWCJRSLEKJBKW-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OCC ZINC000858451028 638722907 /nfs/dbraw/zinc/72/29/07/638722907.db2.gz MBPPELQUZMWHIA-YPMHNXCESA-N 1 0 295.383 3.033 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000927025193 638833187 /nfs/dbraw/zinc/83/31/87/638833187.db2.gz BKYNMLSHUYXMHA-GYSYKLTISA-N 1 0 292.404 3.456 20 5 CGBDRO CCC(CC)[C@@H]([NH2+]CC[N+](=O)[O-])c1cccs1 ZINC000930214049 638983350 /nfs/dbraw/zinc/98/33/50/638983350.db2.gz VNZBVTAIADYCHU-GFCCVEGCSA-N 1 0 256.371 3.092 20 5 CGBDRO C[C@H]([NH2+]CCCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000930234863 638985033 /nfs/dbraw/zinc/98/50/33/638985033.db2.gz HVWFZUFEVQRAAC-ZDUSSCGKSA-N 1 0 285.347 3.273 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccns1 ZINC000858577207 638996831 /nfs/dbraw/zinc/99/68/31/638996831.db2.gz QKPMTNLMUVDENT-JOYOIKCWSA-N 1 0 289.360 3.389 20 5 CGBDRO C[C@H](Cc1cccnc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934239929 639566552 /nfs/dbraw/zinc/56/65/52/639566552.db2.gz SNPSZMNNXULVQQ-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1ccc(Nc2cccc(CC[NH3+])c2)cc1[N+](=O)[O-] ZINC001159671855 806147185 /nfs/dbraw/zinc/14/71/85/806147185.db2.gz KAMSMWDMFWOPSY-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO Cc1ccc(Nc2ccccc2CC[NH3+])cc1[N+](=O)[O-] ZINC001159998062 806210989 /nfs/dbraw/zinc/21/09/89/806210989.db2.gz SSNKLVUGPLOUOB-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001254530743 806444341 /nfs/dbraw/zinc/44/43/41/806444341.db2.gz AQZYEZMVWJEYNE-FPMFFAJLSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cccnc21 ZINC001254537846 806446725 /nfs/dbraw/zinc/44/67/25/806446725.db2.gz IGMROJHOLOMBHJ-SWLSCSKDSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H](F)C1 ZINC001254553355 806449715 /nfs/dbraw/zinc/44/97/15/806449715.db2.gz VIIGVJLNHPGVCP-TZMCWYRMSA-N 1 0 280.343 3.350 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557840 806449771 /nfs/dbraw/zinc/44/97/71/806449771.db2.gz CKAPWDMMXORJHY-HIFRSBDPSA-N 1 0 292.379 3.027 20 5 CGBDRO CC[C@H](C)C[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575361 806454291 /nfs/dbraw/zinc/45/42/91/806454291.db2.gz QALBTCDPEKMBSL-SLEUVZQESA-N 1 0 276.380 3.476 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]3CCC[C@H]31)C2 ZINC001254604005 806460590 /nfs/dbraw/zinc/46/05/90/806460590.db2.gz SAPNOXLRMDBGSQ-CSMYWGQOSA-N 1 0 286.375 3.327 20 5 CGBDRO C[C@@]1([NH3+])C[C@H](Nc2ccc3ccc4cccnc4c3n2)C1 ZINC001162325180 806555449 /nfs/dbraw/zinc/55/54/49/806555449.db2.gz RIWCUDDABJSGOW-XFHMXUHZSA-N 1 0 278.359 3.075 20 5 CGBDRO CC(C)[PH+](CCNc1ncc([N+](=O)[O-])cc1N)C(C)C ZINC001162361927 806565699 /nfs/dbraw/zinc/56/56/99/806565699.db2.gz LRIWUNOCMQVHOO-UHFFFAOYSA-N 1 0 298.327 3.283 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@@H]1CCC[NH2+]C[C@H]1C ZINC001162472631 806594473 /nfs/dbraw/zinc/59/44/73/806594473.db2.gz YJQNIMGBVZHIOV-PWSUYJOCSA-N 1 0 295.358 3.090 20 5 CGBDRO Cc1cnc(-n2ccc3cc([C@H](C)[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001162907762 806682997 /nfs/dbraw/zinc/68/29/97/806682997.db2.gz GWHVUYMGNFIUGI-NSHDSACASA-N 1 0 296.330 3.262 20 5 CGBDRO CCCC(C[NH3+])(CCC)Nc1nccc(C)c1[N+](=O)[O-] ZINC001163038628 806694947 /nfs/dbraw/zinc/69/49/47/806694947.db2.gz MVFPXFLUXQKMCT-UHFFFAOYSA-N 1 0 280.372 3.008 20 5 CGBDRO CC(C)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037108515 798859052 /nfs/dbraw/zinc/85/90/52/798859052.db2.gz WMKAOXMIUVDGKI-UHFFFAOYSA-N 1 0 256.733 3.336 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000094659336 798970439 /nfs/dbraw/zinc/97/04/39/798970439.db2.gz SNRKEOCEVCBWFL-UHFFFAOYSA-N 1 0 279.384 3.434 20 5 CGBDRO Cc1cccc(N[C@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163226463 806728934 /nfs/dbraw/zinc/72/89/34/806728934.db2.gz HLEIRHLMDSACEI-LBPRGKRZSA-N 1 0 289.360 3.221 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2C=CCC2)c1 ZINC000698174655 799852352 /nfs/dbraw/zinc/85/23/52/799852352.db2.gz HHZBXFBUJGMDRC-JTQLQIEISA-N 1 0 252.701 3.056 20 5 CGBDRO CN(CCC[NH+](C)C)c1ccc2ccc3cccnc3c2n1 ZINC001163596032 806790310 /nfs/dbraw/zinc/79/03/10/806790310.db2.gz SHXWOZSLZUJVRE-UHFFFAOYSA-N 1 0 294.402 3.171 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000716065285 800164178 /nfs/dbraw/zinc/16/41/78/800164178.db2.gz NIUQOGWVCRPRBK-LQDVMPOASA-N 1 0 292.404 3.359 20 5 CGBDRO C[C@@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000719597924 800244633 /nfs/dbraw/zinc/24/46/33/800244633.db2.gz GBLVTHHFBLTRDO-KCJUWKMLSA-N 1 0 285.294 3.037 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000720224121 800254234 /nfs/dbraw/zinc/25/42/34/800254234.db2.gz KFKRZQXCKHCIKG-SECBINFHSA-N 1 0 286.759 3.151 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)c2ccc[nH]2)cc([N+](=O)[O-])c1 ZINC000903128953 800594540 /nfs/dbraw/zinc/59/45/40/800594540.db2.gz CFQFYBSXKZQKDZ-QWRGUYRKSA-N 1 0 289.335 3.343 20 5 CGBDRO c1ccc2nc3c(cccc3Nc3cc[nH+]cc3)nc2c1 ZINC001173883602 808738955 /nfs/dbraw/zinc/73/89/55/808738955.db2.gz UVDPRNJXHQGYCR-UHFFFAOYSA-N 1 0 272.311 3.344 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001119375991 802656426 /nfs/dbraw/zinc/65/64/26/802656426.db2.gz VSXJFMIYEBHROY-QWHCGFSZSA-N 1 0 275.352 3.002 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168965930 807542920 /nfs/dbraw/zinc/54/29/20/807542920.db2.gz DOLASJBRKAKHTE-GOEBONIOSA-N 1 0 276.380 3.345 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168963178 807542948 /nfs/dbraw/zinc/54/29/48/807542948.db2.gz OLOQHJJTAUPRJZ-BPLDGKMQSA-N 1 0 262.353 3.173 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC001168979725 807545658 /nfs/dbraw/zinc/54/56/58/807545658.db2.gz ZRZXOKZOSQHMAZ-MAUKXSAKSA-N 1 0 298.386 3.417 20 5 CGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978604 807545802 /nfs/dbraw/zinc/54/58/02/807545802.db2.gz STHLOJQAYZJWLZ-XPKDYRNWSA-N 1 0 274.364 3.017 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168987545 807547775 /nfs/dbraw/zinc/54/77/75/807547775.db2.gz JLYJDVBUYQBLRZ-TUKIKUTGSA-N 1 0 280.343 3.312 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(F)c1F ZINC001168991932 807547938 /nfs/dbraw/zinc/54/79/38/807547938.db2.gz IIQJRWKJQJTBTB-SRVKXCTJSA-N 1 0 298.333 3.369 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001168987937 807548357 /nfs/dbraw/zinc/54/83/57/807548357.db2.gz LKROFQPLNCSNKE-SQWLQELKSA-N 1 0 276.380 3.399 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC001169001268 807548977 /nfs/dbraw/zinc/54/89/77/807548977.db2.gz FCXUVOGHQYFWNM-PEYYIBSZSA-N 1 0 292.354 3.238 20 5 CGBDRO CCc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168996973 807549073 /nfs/dbraw/zinc/54/90/73/807549073.db2.gz WZTMEWNNXQXFJL-XNRPHZJLSA-N 1 0 276.380 3.345 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001169025442 807553959 /nfs/dbraw/zinc/55/39/59/807553959.db2.gz IXTMVHHOAMPIBJ-VNQPRFMTSA-N 1 0 274.364 3.269 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169037728 807555565 /nfs/dbraw/zinc/55/55/65/807555565.db2.gz TWSHPMMZJYIVQW-KBXIAJHMSA-N 1 0 266.385 3.086 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035851 807555822 /nfs/dbraw/zinc/55/58/22/807555822.db2.gz DIXKBVLSHHDXGY-GDBMZVCRSA-N 1 0 274.364 3.096 20 5 CGBDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036875 807555862 /nfs/dbraw/zinc/55/58/62/807555862.db2.gz HSWMJVDSRJYGMV-YSVLISHTSA-N 1 0 288.391 3.441 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040926 807557380 /nfs/dbraw/zinc/55/73/80/807557380.db2.gz ADORUNPJPWWAHJ-DOTOQJQBSA-N 1 0 288.391 3.487 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038635 807557482 /nfs/dbraw/zinc/55/74/82/807557482.db2.gz JPYAJEPCRSWVNC-RTWZZBQXSA-N 1 0 274.364 3.077 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCSc3ccccc3C2)C1 ZINC001169046361 807558306 /nfs/dbraw/zinc/55/83/06/807558306.db2.gz KZXCAUPMLHXKAP-TZMCWYRMSA-N 1 0 292.404 3.040 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170296115 807817692 /nfs/dbraw/zinc/81/76/92/807817692.db2.gz ZQILFBDOHVSWJY-GFCCVEGCSA-N 1 0 292.379 3.457 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]CCC2CCC2)c([N+](=O)[O-])c1 ZINC001170306459 807823482 /nfs/dbraw/zinc/82/34/82/807823482.db2.gz VITVGZOIMXRQGX-LBPRGKRZSA-N 1 0 292.379 3.314 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]C2CC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170315875 807826161 /nfs/dbraw/zinc/82/61/61/807826161.db2.gz YYPZIQRRZASJLO-NSHDSACASA-N 1 0 292.379 3.313 20 5 CGBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])C1 ZINC001170355545 807827481 /nfs/dbraw/zinc/82/74/81/807827481.db2.gz JKGSYBMNVSGOAK-QWHCGFSZSA-N 1 0 292.379 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CCC1CC1)CC2 ZINC001172902497 808476188 /nfs/dbraw/zinc/47/61/88/808476188.db2.gz YUSYSAYGDBHEHX-OAHLLOKOSA-N 1 0 274.364 3.232 20 5 CGBDRO C[C@@H]1C[C@@H](F)C[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904776 808476195 /nfs/dbraw/zinc/47/61/95/808476195.db2.gz AMEJTSCBLCMJOX-DFBGVHRSSA-N 1 0 292.354 3.275 20 5 CGBDRO C[N@H+](CC1CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909643 808476358 /nfs/dbraw/zinc/47/63/58/808476358.db2.gz UMYDYFFSZVPMES-HNNXBMFYSA-N 1 0 274.364 3.184 20 5 CGBDRO CC1(C)C[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912350 808477901 /nfs/dbraw/zinc/47/79/01/808477901.db2.gz NKBIVMCFEAULTN-DZGCQCFKSA-N 1 0 274.364 3.230 20 5 CGBDRO CCCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175935 808533272 /nfs/dbraw/zinc/53/32/72/808533272.db2.gz VSSJFTXOHGSZHY-LLVKDONJSA-N 1 0 298.358 3.453 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001173209149 808537159 /nfs/dbraw/zinc/53/71/59/808537159.db2.gz AEZGQGHDTVGBOE-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccccn1 ZINC001173210398 808538036 /nfs/dbraw/zinc/53/80/36/808538036.db2.gz KILNSTUOIDHDEL-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO CCC[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218135 808539869 /nfs/dbraw/zinc/53/98/69/808539869.db2.gz BJNXAZYKQSTEQX-RYUDHWBXSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001173218650 808540308 /nfs/dbraw/zinc/54/03/08/808540308.db2.gz RHVBDOCPJUFBET-TZMCWYRMSA-N 1 0 292.379 3.073 20 5 CGBDRO C[NH2+]Cc1cccc(N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173235682 808544498 /nfs/dbraw/zinc/54/44/98/808544498.db2.gz YMPABUFEHIJJPZ-ZDUSSCGKSA-N 1 0 299.374 3.357 20 5 CGBDRO c1c[nH+]c(Nc2cccc3nc4ccccc4nc32)[nH]1 ZINC001176085290 809619633 /nfs/dbraw/zinc/61/96/33/809619633.db2.gz JAMJKKRHJROWOG-UHFFFAOYSA-N 1 0 261.288 3.250 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3cc[nH]c3c2)c1 ZINC001178392939 809863415 /nfs/dbraw/zinc/86/34/15/809863415.db2.gz AXZKMNHYEDNXDN-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@H]1CCCO1 ZINC001180158639 809980225 /nfs/dbraw/zinc/98/02/25/809980225.db2.gz ZAMGUJJBTLYGEJ-CQSZACIVSA-N 1 0 292.379 3.213 20 5 CGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CCC1(C)C ZINC001187183324 810390144 /nfs/dbraw/zinc/39/01/44/810390144.db2.gz ZEJWLQXSKQGQAW-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC001193607428 810917989 /nfs/dbraw/zinc/91/79/89/810917989.db2.gz UCQRQZQNOCFLQL-MWLCHTKSSA-N 1 0 254.355 3.277 20 5 CGBDRO Cc1cc(Nc2cc(O)cc([N+](=O)[O-])c2)c2ccccc2[nH+]1 ZINC001199800499 811598388 /nfs/dbraw/zinc/59/83/88/811598388.db2.gz AROWSWDZJLQBCW-UHFFFAOYSA-N 1 0 295.298 3.323 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)C1CCC1 ZINC001201880433 811974166 /nfs/dbraw/zinc/97/41/66/811974166.db2.gz BBBHPWAPZMYWOE-GFCCVEGCSA-N 1 0 262.353 3.490 20 5 CGBDRO COc1ccc(C[NH2+]CC[C@@H]2CC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC001203692650 812430067 /nfs/dbraw/zinc/43/00/67/812430067.db2.gz YWIXRURNWCZDRR-IHRRRGAJSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC001204767381 812729300 /nfs/dbraw/zinc/72/93/00/812729300.db2.gz BKJYXNCRHSJWPJ-VXGBXAGGSA-N 1 0 262.353 3.299 20 5 CGBDRO C[C@H](OCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001206709520 813403904 /nfs/dbraw/zinc/40/39/04/813403904.db2.gz NIUVBKSUTAIPHZ-ZDUSSCGKSA-N 1 0 278.352 3.158 20 5 CGBDRO CCc1cc(Nc2cc([N+](=O)[O-])ccc2C)cc[nH+]1 ZINC001211287336 814870895 /nfs/dbraw/zinc/87/08/95/814870895.db2.gz KJLIIGDHNFKTIW-UHFFFAOYSA-N 1 0 257.293 3.026 20 5 CGBDRO F[C@H]1C[NH2+]C[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217779194 815960645 /nfs/dbraw/zinc/96/06/45/815960645.db2.gz UATYWWFLHOURME-MAUKXSAKSA-N 1 0 296.345 3.215 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001217986244 816034274 /nfs/dbraw/zinc/03/42/74/816034274.db2.gz KWZNUXZYRAWJAC-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001218089503 816091059 /nfs/dbraw/zinc/09/10/59/816091059.db2.gz JKVVDIFWIBYNLW-KGLIPLIRSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001218089044 816091102 /nfs/dbraw/zinc/09/11/02/816091102.db2.gz CWPKHDIKYTUXQN-CVEARBPZSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218095281 816095913 /nfs/dbraw/zinc/09/59/13/816095913.db2.gz OZASMFYAJVSFFY-ZBFHGGJFSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(OC2CC3(C2)CC[NH2+]CC3)c1 ZINC001218105286 816100031 /nfs/dbraw/zinc/10/00/31/816100031.db2.gz XECCBHXEUWMFFS-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO C[C@H](Oc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001218317371 816165176 /nfs/dbraw/zinc/16/51/76/816165176.db2.gz MGNUSCGMWZVBFH-LBPRGKRZSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@@H](Oc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218344249 816172801 /nfs/dbraw/zinc/17/28/01/816172801.db2.gz TZCSUVRHOVNICH-GFCCVEGCSA-N 1 0 298.342 3.381 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1CC2(C[NH2+]C2)C1 ZINC001222465500 816451706 /nfs/dbraw/zinc/45/17/06/816451706.db2.gz SMDCGDSPERXEGA-UHFFFAOYSA-N 1 0 288.394 3.398 20 5 CGBDRO C[C@@H](OCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001224744401 816870341 /nfs/dbraw/zinc/87/03/41/816870341.db2.gz LGXULEZCEJVHCI-CYBMUJFWSA-N 1 0 278.352 3.158 20 5 CGBDRO C[N+](C)(C)CCO[C@H]1CCc2ccc(Br)cc21 ZINC001224776035 816879273 /nfs/dbraw/zinc/87/92/73/816879273.db2.gz RMAXVVLIOABRHP-AWEZNQCLSA-N 1 0 299.232 3.159 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Cl)c1Cl ZINC001225206468 816961494 /nfs/dbraw/zinc/96/14/94/816961494.db2.gz LBIOIMJXNOIQDG-VIFPVBQESA-N 1 0 263.188 3.467 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC001225577013 817098268 /nfs/dbraw/zinc/09/82/68/817098268.db2.gz DRFGKJHVEYHBRY-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225709856 817152618 /nfs/dbraw/zinc/15/26/18/817152618.db2.gz DUTWNLPQWVBEAL-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cc(Cl)ccc2s1 ZINC001225725114 817158519 /nfs/dbraw/zinc/15/85/19/817158519.db2.gz LPPPATKIXOAVRD-SECBINFHSA-N 1 0 285.820 3.423 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226762429 817456452 /nfs/dbraw/zinc/45/64/52/817456452.db2.gz SOJHJBWBSMUDFB-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO C[NH+](C)C1CCC(Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226811392 817472212 /nfs/dbraw/zinc/47/22/12/817472212.db2.gz YDTDXHNDDQLXQR-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226989170 817527628 /nfs/dbraw/zinc/52/76/28/817527628.db2.gz LEEMMNZGNQQDBO-NSHDSACASA-N 1 0 298.770 3.420 20 5 CGBDRO Cc1cc(Cl)c(O[C@@H](C)C[N+](C)(C)C)cc1C ZINC001227121309 817564969 /nfs/dbraw/zinc/56/49/69/817564969.db2.gz BIMPQTATPXZCLL-LBPRGKRZSA-N 1 0 256.797 3.430 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C1 ZINC001227213877 817594333 /nfs/dbraw/zinc/59/43/33/817594333.db2.gz CXYFDVXLACYKQK-ZDUSSCGKSA-N 1 0 286.331 3.221 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccc(O)cc2c1 ZINC001227456152 817653600 /nfs/dbraw/zinc/65/36/00/817653600.db2.gz YDWIHKPSBDZIBI-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO CCCC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001228024439 817787607 /nfs/dbraw/zinc/78/76/07/817787607.db2.gz IVSUSLADHVRBQB-ZDUSSCGKSA-N 1 0 264.389 3.143 20 5 CGBDRO Cc1cc(C)c(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001228237302 817845596 /nfs/dbraw/zinc/84/55/96/817845596.db2.gz JBMRHALPSNGWPX-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)c(C(F)(F)F)c(F)c1 ZINC001228465553 817913664 /nfs/dbraw/zinc/91/36/64/817913664.db2.gz IXHLAVVWOMKHNV-QMMMGPOBSA-N 1 0 298.275 3.457 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CC[NH+](C2CC2)CC1 ZINC001228570977 817941127 /nfs/dbraw/zinc/94/11/27/817941127.db2.gz JURVFHOZYGBMNH-UHFFFAOYSA-N 1 0 290.363 3.217 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001231252693 818063651 /nfs/dbraw/zinc/06/36/51/818063651.db2.gz NZKUABMNQYSISR-OAHLLOKOSA-N 1 0 298.342 3.345 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1C(F)(F)F ZINC001233969914 818743647 /nfs/dbraw/zinc/74/36/47/818743647.db2.gz NLCVAHPSNMERMA-QMMMGPOBSA-N 1 0 297.728 3.227 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2nc(Cl)sc21 ZINC001234491586 818866132 /nfs/dbraw/zinc/86/61/32/818866132.db2.gz RNCKWIFMEHBYON-VIFPVBQESA-N 1 0 285.820 3.423 20 5 CGBDRO Cc1cc2cccnc2c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234613013 818892027 /nfs/dbraw/zinc/89/20/27/818892027.db2.gz KHQYBFRHRFLJIN-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCOCC2)cc1Cl ZINC001343298945 936494040 /nfs/dbraw/zinc/49/40/40/936494040.db2.gz HBYHZUCGFMXCML-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC(C)=CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001347105609 936870022 /nfs/dbraw/zinc/87/00/22/936870022.db2.gz XVXRLFNVLFTREZ-UHFFFAOYSA-N 1 0 260.337 3.309 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000227859846 927544572 /nfs/dbraw/zinc/54/45/72/927544572.db2.gz IPGJZGIWUXEAPA-TWJWRFFLSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2c(cccc2Cl)s1 ZINC001228949584 932056422 /nfs/dbraw/zinc/05/64/22/932056422.db2.gz HJRHITDTACNDAE-SECBINFHSA-N 1 0 285.820 3.423 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)cc2scnc21 ZINC001228944952 932057246 /nfs/dbraw/zinc/05/72/46/932057246.db2.gz QUOSEVFLVVRKST-LLVKDONJSA-N 1 0 265.402 3.078 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC001461667569 937591032 /nfs/dbraw/zinc/59/10/32/937591032.db2.gz JDFRCEVQHIWZSI-LEMVBVGESA-N 1 0 292.404 3.482 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001229882315 932497673 /nfs/dbraw/zinc/49/76/73/932497673.db2.gz LPZBXFRDFSXCHL-ZDUSSCGKSA-N 1 0 278.352 3.073 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)c([N+](=O)[O-])cc1Cl ZINC001229975741 932515441 /nfs/dbraw/zinc/51/54/41/932515441.db2.gz QUWZKLMDTGTGIZ-JTQLQIEISA-N 1 0 287.767 3.030 20 5 CGBDRO Cc1ccc2sc(O[C@@H](C)C[N+](C)(C)C)nc2c1 ZINC001230348448 932563370 /nfs/dbraw/zinc/56/33/70/932563370.db2.gz JWODYEQWFYLSGV-NSHDSACASA-N 1 0 265.402 3.078 20 5 CGBDRO Cc1cc(OC2CC[NH+](C3CC3)CC2)cc([N+](=O)[O-])c1C ZINC001230471785 932575927 /nfs/dbraw/zinc/57/59/27/932575927.db2.gz QNAMXDCNSJUOPK-UHFFFAOYSA-N 1 0 290.363 3.217 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2C[NH+]3CCC2CC3)ccc2ccccc21 ZINC001230626663 932600207 /nfs/dbraw/zinc/60/02/07/932600207.db2.gz POSABHNVCCWSCO-MRXNPFEDSA-N 1 0 298.342 3.221 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1OC1CC[NH+](C2CC2)CC1 ZINC001230915926 932641375 /nfs/dbraw/zinc/64/13/75/932641375.db2.gz UNAFBEAYXFLSRN-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO C[C@@H]([NH2+]Cc1cnc2ccccn12)c1cccc([N+](=O)[O-])c1 ZINC001308209159 933071813 /nfs/dbraw/zinc/07/18/13/933071813.db2.gz WNJUXNVPFJGQEW-GFCCVEGCSA-N 1 0 296.330 3.093 20 5 CGBDRO CCC(CC)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001308653529 933150611 /nfs/dbraw/zinc/15/06/11/933150611.db2.gz DWLJCXINTOBRBE-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO Cc1ncccc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001308890437 933197492 /nfs/dbraw/zinc/19/74/92/933197492.db2.gz AJGNAJGUZORKRS-UHFFFAOYSA-N 1 0 291.738 3.241 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643611 934326121 /nfs/dbraw/zinc/32/61/21/934326121.db2.gz SHZUMUFELFFLGH-VBNZEHGJSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ccc(NC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC001327255579 935047609 /nfs/dbraw/zinc/04/76/09/935047609.db2.gz PNFSWFIMJVQKOM-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO COC/C(C)=C\C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001333905681 936074756 /nfs/dbraw/zinc/07/47/56/936074756.db2.gz VAJCZCPXYWMRIB-LWMSPQMPSA-N 1 0 278.352 3.147 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC001335950169 936169170 /nfs/dbraw/zinc/16/91/70/936169170.db2.gz QDUDEDWETFELAL-CHWSQXEVSA-N 1 0 266.316 3.274 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC001474390989 937856955 /nfs/dbraw/zinc/85/69/55/937856955.db2.gz KOQVQQFITHAYIJ-DZGCQCFKSA-N 1 0 292.379 3.075 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001474570992 937867920 /nfs/dbraw/zinc/86/79/20/937867920.db2.gz MOQJFATYDGTMCL-BETUJISGSA-N 1 0 298.770 3.294 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001517935892 938013346 /nfs/dbraw/zinc/01/33/46/938013346.db2.gz WKADDBZWIIIJLO-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001559219353 938222657 /nfs/dbraw/zinc/22/26/57/938222657.db2.gz KWIDHGWUPCJRKK-QWRGUYRKSA-N 1 0 283.397 3.105 20 5 CGBDRO Cc1cc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001560604296 938265154 /nfs/dbraw/zinc/26/51/54/938265154.db2.gz RFTYUXUFTPGEAL-GFCCVEGCSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC001561027181 938290169 /nfs/dbraw/zinc/29/01/69/938290169.db2.gz XRKATGHJWDFNDL-PAPYEOQZSA-N 1 0 274.364 3.477 20 5 CGBDRO CC[C@H](F)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440604494 529437897 /nfs/dbraw/zinc/43/78/97/529437897.db2.gz SXRNZUJUPOJJJD-JQWIXIFHSA-N 1 0 254.305 3.302 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C ZINC000414093194 529607967 /nfs/dbraw/zinc/60/79/67/529607967.db2.gz FTPGKAAJWJWAKM-GLQYFDAESA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000414192206 529617889 /nfs/dbraw/zinc/61/78/89/529617889.db2.gz HGGRNTYGAZEOPY-DOMZBBRYSA-N 1 0 280.368 3.308 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCS1 ZINC000126504962 187243872 /nfs/dbraw/zinc/24/38/72/187243872.db2.gz MWJZMPZCBQYCQC-NSHDSACASA-N 1 0 272.395 3.032 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC000591660386 346932297 /nfs/dbraw/zinc/93/22/97/346932297.db2.gz KKMGUSWBVIVHSY-ZWUHOBOKSA-N 1 0 272.348 3.360 20 5 CGBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000592373288 346979547 /nfs/dbraw/zinc/97/95/47/346979547.db2.gz WNTMHVFTEQLTNQ-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592397511 346983952 /nfs/dbraw/zinc/98/39/52/346983952.db2.gz MRGWUUMFIICFII-CORIIIEPSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000592401597 346985458 /nfs/dbraw/zinc/98/54/58/346985458.db2.gz ZFMOPZRDCWPRFG-MJVIPROJSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCN2CCCCC2)cccc1[N+](=O)[O-] ZINC000128246607 187359338 /nfs/dbraw/zinc/35/93/38/187359338.db2.gz LXVVGYCSOKLPKK-AWEZNQCLSA-N 1 0 291.395 3.040 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000048999602 345069710 /nfs/dbraw/zinc/06/97/10/345069710.db2.gz JLRGLOWDURDJTG-UHFFFAOYSA-N 1 0 283.397 3.189 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000064021858 345256617 /nfs/dbraw/zinc/25/66/17/345256617.db2.gz HGGLAVQFTCBKFM-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC(C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058670498 345199740 /nfs/dbraw/zinc/19/97/40/345199740.db2.gz ONYSIHMKDQQGQT-HNNXBMFYSA-N 1 0 295.358 3.266 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C(C1CC1)C1CC1 ZINC000065243469 345270517 /nfs/dbraw/zinc/27/05/17/345270517.db2.gz KKZUTJHQYMUXEI-UHFFFAOYSA-N 1 0 290.363 3.224 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000069064182 345371765 /nfs/dbraw/zinc/37/17/65/345371765.db2.gz LAZOILOXDZFPPB-ZDUSSCGKSA-N 1 0 277.368 3.127 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2F)C1 ZINC000069064078 345371905 /nfs/dbraw/zinc/37/19/05/345371905.db2.gz QKBABPAOQGVACV-LBPRGKRZSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000088455417 345760767 /nfs/dbraw/zinc/76/07/67/345760767.db2.gz LZQGHOVPSMCYLS-UHFFFAOYSA-N 1 0 274.364 3.429 20 5 CGBDRO CC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000105642449 345928602 /nfs/dbraw/zinc/92/86/02/345928602.db2.gz YMRAIYBGTARBFB-UHFFFAOYSA-N 1 0 262.334 3.433 20 5 CGBDRO Cc1cscc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094880803 345899245 /nfs/dbraw/zinc/89/92/45/345899245.db2.gz LTEMQPJQDYTFJJ-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO C[C@@]1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCCS1 ZINC000155639590 346154492 /nfs/dbraw/zinc/15/44/92/346154492.db2.gz KFHSEBOSANYQPB-AWEZNQCLSA-N 1 0 280.393 3.013 20 5 CGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593674095 347102842 /nfs/dbraw/zinc/10/28/42/347102842.db2.gz NODKKGUXFMUTRD-PXTSUWAFSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000584719122 346709734 /nfs/dbraw/zinc/70/97/34/346709734.db2.gz BAQZLMJSWYEMDS-STQMWFEESA-N 1 0 266.316 3.274 20 5 CGBDRO CCOC1CC(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000586768977 346734027 /nfs/dbraw/zinc/73/40/27/346734027.db2.gz JYMKZFQQFLRWPW-UHFFFAOYSA-N 1 0 292.379 3.235 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594597643 347199308 /nfs/dbraw/zinc/19/93/08/347199308.db2.gz DHSPMVYRWPMYGV-GJZGRUSLSA-N 1 0 293.342 3.163 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594497612 347179565 /nfs/dbraw/zinc/17/95/65/347179565.db2.gz IQLBDILYNJFIDI-HZUKXOBISA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000594503135 347180809 /nfs/dbraw/zinc/18/08/09/347180809.db2.gz TYYGWEYUAGLZRZ-DGCLKSJQSA-N 1 0 280.393 3.011 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000594506097 347181544 /nfs/dbraw/zinc/18/15/44/347181544.db2.gz MFMPYSRIALEYLS-PEYYIBSZSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H]([NH2+]CCc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000594732655 347214060 /nfs/dbraw/zinc/21/40/60/347214060.db2.gz WBRKORKNRQZRFL-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000594975165 347246132 /nfs/dbraw/zinc/24/61/32/347246132.db2.gz RSXOTWKMGRBXEJ-IPYPFGDCSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c(F)c1 ZINC000594974828 347246398 /nfs/dbraw/zinc/24/63/98/347246398.db2.gz KBZYIIKTRRMMCM-COPLHBTASA-N 1 0 278.327 3.260 20 5 CGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594970878 347246425 /nfs/dbraw/zinc/24/64/25/347246425.db2.gz OLTUWNLSCCAYSZ-IINYFYTJSA-N 1 0 288.372 3.474 20 5 CGBDRO Cc1noc(C[N@@H+](C)C2CCCCCC2)c1[N+](=O)[O-] ZINC000595288531 347286306 /nfs/dbraw/zinc/28/63/06/347286306.db2.gz NGPHNADIDCWCQX-UHFFFAOYSA-N 1 0 267.329 3.046 20 5 CGBDRO Cc1noc(C[N@@H+](CC(C)C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595346690 347294503 /nfs/dbraw/zinc/29/45/03/347294503.db2.gz ICORBXHULKXPPK-UHFFFAOYSA-N 1 0 283.372 3.395 20 5 CGBDRO C[C@H](c1ccncc1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595391202 347297333 /nfs/dbraw/zinc/29/73/33/347297333.db2.gz GOELGJOZPXZQAO-LLVKDONJSA-N 1 0 289.310 3.322 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595424322 347301617 /nfs/dbraw/zinc/30/16/17/347301617.db2.gz WMOAXFXJICAVLT-LBPRGKRZSA-N 1 0 286.372 3.307 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCCSC1 ZINC000595012207 347256468 /nfs/dbraw/zinc/25/64/68/347256468.db2.gz LFTPOWORYYEOBB-QWRGUYRKSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)CSC ZINC000595011613 347256594 /nfs/dbraw/zinc/25/65/94/347256594.db2.gz ZZNBFULZTPMXDF-NXEZZACHSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C)CCC1 ZINC000595025466 347260867 /nfs/dbraw/zinc/26/08/67/347260867.db2.gz HSUHUERSJDQXES-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO CC/C=C\C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039742 347266119 /nfs/dbraw/zinc/26/61/19/347266119.db2.gz BUOIXFUORSZNJF-GZTOBOFZSA-N 1 0 264.325 3.220 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCS[C@H]1C ZINC000595043167 347267442 /nfs/dbraw/zinc/26/74/42/347267442.db2.gz HDOLPYVNXVZPIW-KWBADKCTSA-N 1 0 296.392 3.148 20 5 CGBDRO Cc1noc(CN[C@H](C)c2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000595415432 347300421 /nfs/dbraw/zinc/30/04/21/347300421.db2.gz RJFMUVISVMYBEU-LLVKDONJSA-N 1 0 289.335 3.359 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595067132 347275995 /nfs/dbraw/zinc/27/59/95/347275995.db2.gz LCNVHWZIYYUYCZ-AVGNSLFASA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000595080058 347278677 /nfs/dbraw/zinc/27/86/77/347278677.db2.gz IYXPBFUBQDPUJY-KGLIPLIRSA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCc1ccco1 ZINC000595093510 347281851 /nfs/dbraw/zinc/28/18/51/347281851.db2.gz KOXRYTJRPICRDF-OAHLLOKOSA-N 1 0 286.331 3.398 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000595422434 347300920 /nfs/dbraw/zinc/30/09/20/347300920.db2.gz XVYRQLUOZGVSNT-WBMJQRKESA-N 1 0 292.379 3.369 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000595099909 347283646 /nfs/dbraw/zinc/28/36/46/347283646.db2.gz GNBPIDXFAJXQHS-MEBBXXQBSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000595765074 347352550 /nfs/dbraw/zinc/35/25/50/347352550.db2.gz GUKHJXVDHCURTP-OAHLLOKOSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595766281 347353507 /nfs/dbraw/zinc/35/35/07/347353507.db2.gz OABUMKFDUYCVAL-GFCCVEGCSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1noc(C[NH2+][C@H]2CCC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595441186 347304555 /nfs/dbraw/zinc/30/45/55/347304555.db2.gz USNHUDZWJJUERB-ONGXEEELSA-N 1 0 281.356 3.196 20 5 CGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])s1)[NH+]1CCCC1 ZINC000596069373 347379985 /nfs/dbraw/zinc/37/99/85/347379985.db2.gz FJRKBZMWSACWOO-NSHDSACASA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c([N+](=O)[O-])s1 ZINC000596083934 347381153 /nfs/dbraw/zinc/38/11/53/347381153.db2.gz ZBWIPYQIIKIIGX-WDEREUQCSA-N 1 0 281.381 3.003 20 5 CGBDRO Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596097490 347383310 /nfs/dbraw/zinc/38/33/10/347383310.db2.gz YBFBUDUETUBNLC-UHFFFAOYSA-N 1 0 297.424 3.275 20 5 CGBDRO COCCC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599060455 347712803 /nfs/dbraw/zinc/71/28/03/347712803.db2.gz WXYGXKZFUNUFFZ-CYBMUJFWSA-N 1 0 292.379 3.404 20 5 CGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@H](C(F)F)C1 ZINC000599074081 347714635 /nfs/dbraw/zinc/71/46/35/347714635.db2.gz KVRGEGLQPGPBQC-JTQLQIEISA-N 1 0 293.273 3.234 20 5 CGBDRO C/C=C/C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599083051 347715876 /nfs/dbraw/zinc/71/58/76/347715876.db2.gz NWUKJCQJWNDBBS-HSWBROFVSA-N 1 0 260.337 3.082 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)ccc1[N+](=O)[O-] ZINC000599669725 347763166 /nfs/dbraw/zinc/76/31/66/347763166.db2.gz FDEIOOIJXYMPDR-BBRMVZONSA-N 1 0 290.363 3.368 20 5 CGBDRO CC1(c2cccc(-c3ccc([N+](=O)[O-])nc3)c2)CC[NH2+]CC1 ZINC000600789089 347836123 /nfs/dbraw/zinc/83/61/23/347836123.db2.gz QMMMTMDCAIOCIT-UHFFFAOYSA-N 1 0 297.358 3.298 20 5 CGBDRO C[C@H](CC1CCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601154396 347875572 /nfs/dbraw/zinc/87/55/72/347875572.db2.gz IZZBRBWEZHTTEY-SECBINFHSA-N 1 0 254.355 3.325 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000601149760 347875718 /nfs/dbraw/zinc/87/57/18/347875718.db2.gz RNBJRLAPZFWBLH-RRJLIXLESA-N 1 0 290.363 3.154 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)cs1 ZINC000601155803 347875974 /nfs/dbraw/zinc/87/59/74/347875974.db2.gz GLQLPJJHLFPHOF-OCCSQVGLSA-N 1 0 296.392 3.094 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000601156733 347876253 /nfs/dbraw/zinc/87/62/53/347876253.db2.gz YJTKNJQPQWRGFU-CVEARBPZSA-N 1 0 290.363 3.032 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000601289608 347889297 /nfs/dbraw/zinc/88/92/97/347889297.db2.gz PXTYDVPPRHTBAM-QWHCGFSZSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000601962998 347929947 /nfs/dbraw/zinc/92/99/47/347929947.db2.gz HQZBXOOQCGFRDP-RISCZKNCSA-N 1 0 278.352 3.061 20 5 CGBDRO [NH3+]C[C@@H]1CCN(Cc2ccccc2[N+](=O)[O-])c2ccccc21 ZINC000601965684 347930571 /nfs/dbraw/zinc/93/05/71/347930571.db2.gz XXBOAMRTKMYHHQ-ZDUSSCGKSA-N 1 0 297.358 3.047 20 5 CGBDRO CC(C)C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602501708 347970895 /nfs/dbraw/zinc/97/08/95/347970895.db2.gz GBNBTUZVCGAXHO-UHFFFAOYSA-N 1 0 293.186 3.164 20 5 CGBDRO CCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602572031 347985025 /nfs/dbraw/zinc/98/50/25/347985025.db2.gz JBUXISKYNRXOCD-UHFFFAOYSA-N 1 0 275.308 3.158 20 5 CGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777610 348027626 /nfs/dbraw/zinc/02/76/26/348027626.db2.gz HLVGSNWSYQCOCN-JSGCOSHPSA-N 1 0 294.399 3.000 20 5 CGBDRO CC(C)=CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602633403 347997724 /nfs/dbraw/zinc/99/77/24/347997724.db2.gz LSUVICMDSJOEDP-UHFFFAOYSA-N 1 0 275.308 3.182 20 5 CGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000602690874 348009720 /nfs/dbraw/zinc/00/97/20/348009720.db2.gz ADOZUFFWYGSSSA-UHFFFAOYSA-N 1 0 299.374 3.100 20 5 CGBDRO CC[C@@](C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602717726 348016549 /nfs/dbraw/zinc/01/65/49/348016549.db2.gz NNZNKELDURIQJE-OAHLLOKOSA-N 1 0 289.335 3.404 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CCC[C@@H]2CCO2)cc1 ZINC000602560571 347982374 /nfs/dbraw/zinc/98/23/74/347982374.db2.gz NFVJGUVERSDERX-MRXNPFEDSA-N 1 0 292.379 3.076 20 5 CGBDRO CCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602562509 347982767 /nfs/dbraw/zinc/98/27/67/347982767.db2.gz CFKPLZIJBMCVQC-UHFFFAOYSA-N 1 0 275.308 3.016 20 5 CGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602809399 348032290 /nfs/dbraw/zinc/03/22/90/348032290.db2.gz HAMVEYXHHWEWFZ-UONOGXRCSA-N 1 0 294.399 3.048 20 5 CGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602809398 348032460 /nfs/dbraw/zinc/03/24/60/348032460.db2.gz HAMVEYXHHWEWFZ-KGLIPLIRSA-N 1 0 294.399 3.048 20 5 CGBDRO Cc1n[nH]cc1CN(C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000602945141 348045869 /nfs/dbraw/zinc/04/58/69/348045869.db2.gz XNLSTXNTYJREPP-GFCCVEGCSA-N 1 0 288.351 3.128 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000604408805 348119760 /nfs/dbraw/zinc/11/97/60/348119760.db2.gz QUUOOLDXRJNXIB-SNVBAGLBSA-N 1 0 297.405 3.433 20 5 CGBDRO C[C@H]([NH2+]Cc1[nH]nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000608982576 348335065 /nfs/dbraw/zinc/33/50/65/348335065.db2.gz SFDVKIZQGPMGMM-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609417702 348343857 /nfs/dbraw/zinc/34/38/57/348343857.db2.gz KRMRYTTYDAQLEN-STQMWFEESA-N 1 0 278.352 3.237 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609417724 348343909 /nfs/dbraw/zinc/34/39/09/348343909.db2.gz NXJZGZCOYFJUGA-CHWSQXEVSA-N 1 0 278.352 3.237 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000609440350 348344479 /nfs/dbraw/zinc/34/44/79/348344479.db2.gz OWTICQSFMWCRLM-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC000610391300 348380590 /nfs/dbraw/zinc/38/05/90/348380590.db2.gz PPOSTANJMKRCDY-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CCCC3)CC2)s1 ZINC000610511332 348386870 /nfs/dbraw/zinc/38/68/70/348386870.db2.gz MJPYVPAOSNDACZ-UHFFFAOYSA-N 1 0 295.408 3.475 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000610988188 348414032 /nfs/dbraw/zinc/41/40/32/348414032.db2.gz VAHYSDCFDZVJFA-SNVBAGLBSA-N 1 0 299.321 3.159 20 5 CGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000273371795 192129888 /nfs/dbraw/zinc/12/98/88/192129888.db2.gz LANUWPYSYVBMJJ-SNVBAGLBSA-N 1 0 289.335 3.404 20 5 CGBDRO CC[NH+](CC)CCSc1sccc1[N+](=O)[O-] ZINC000611290182 348435085 /nfs/dbraw/zinc/43/50/85/348435085.db2.gz UGBFCPATSQGLOE-UHFFFAOYSA-N 1 0 260.384 3.090 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC000611377059 348442414 /nfs/dbraw/zinc/44/24/14/348442414.db2.gz PUEBPMPOPZHJCS-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000611515994 348458227 /nfs/dbraw/zinc/45/82/27/348458227.db2.gz YMIRYBWVSFDBIQ-KGLIPLIRSA-N 1 0 292.379 3.059 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCOC1 ZINC000611774783 348475723 /nfs/dbraw/zinc/47/57/23/348475723.db2.gz XFZFIEWKPPTUAP-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO COC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000273431100 192147591 /nfs/dbraw/zinc/14/75/91/192147591.db2.gz LCILGTQFGRWZPC-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO O=[N+]([O-])c1sccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000615491026 348744876 /nfs/dbraw/zinc/74/48/76/348744876.db2.gz IOLXNFDRSPANBO-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO Cc1[nH+]ccc(NCc2ccc([N+](=O)[O-])cc2F)c1Cl ZINC000616955445 348886167 /nfs/dbraw/zinc/88/61/67/348886167.db2.gz WBZCAIKBOOCBMB-UHFFFAOYSA-N 1 0 295.701 3.125 20 5 CGBDRO O=[N+]([O-])c1ccccc1C=CCNc1cc2c(c[nH+]1)CCC2 ZINC000339552016 215240401 /nfs/dbraw/zinc/24/04/01/215240401.db2.gz BDLBHQSQQVJBPU-XBXARRHUSA-N 1 0 295.342 3.026 20 5 CGBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])s2)C1 ZINC000618175363 349057030 /nfs/dbraw/zinc/05/70/30/349057030.db2.gz POOZALKOLNDUGV-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCSC1 ZINC000619198176 349220645 /nfs/dbraw/zinc/22/06/45/349220645.db2.gz FLVLCRWOPWBICE-GMMCIKNFSA-N 1 0 292.404 3.341 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000271413346 191123863 /nfs/dbraw/zinc/12/38/63/191123863.db2.gz AKIHAMXJDJFEEK-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CSCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000132507626 187631972 /nfs/dbraw/zinc/63/19/72/187631972.db2.gz JNLUFHUOHVHTIA-NSHDSACASA-N 1 0 268.382 3.307 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271568785 191219723 /nfs/dbraw/zinc/21/97/23/191219723.db2.gz YFKHWWWRZQZHEK-TZMCWYRMSA-N 1 0 290.363 3.347 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000152499337 188022949 /nfs/dbraw/zinc/02/29/49/188022949.db2.gz OSOHIXXHTUHHGM-CZUORRHYSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOCCC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152510044 188024819 /nfs/dbraw/zinc/02/48/19/188024819.db2.gz KGWKGQLCEKRSGK-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO Cn1ccc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000154258754 188131816 /nfs/dbraw/zinc/13/18/16/188131816.db2.gz VWKCNQQSGZFQPL-UHFFFAOYSA-N 1 0 285.347 3.098 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157963709 188350149 /nfs/dbraw/zinc/35/01/49/188350149.db2.gz OYBCMMGIGZDIHJ-WPGHFRTFSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158033479 188353232 /nfs/dbraw/zinc/35/32/32/188353232.db2.gz VCAZTDJJHXOTNJ-BXUZGUMPSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000158547473 188382005 /nfs/dbraw/zinc/38/20/05/188382005.db2.gz FXQBXGJTFKBYTL-OAHLLOKOSA-N 1 0 273.336 3.174 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[C@H]1CCC[NH2+]1 ZINC000420237336 235730738 /nfs/dbraw/zinc/73/07/38/235730738.db2.gz MAHOMABSTPQESQ-SNVBAGLBSA-N 1 0 283.759 3.111 20 5 CGBDRO CCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104679422 138350096 /nfs/dbraw/zinc/35/00/96/138350096.db2.gz PWXCVHUHVGWOTJ-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000512282628 535355120 /nfs/dbraw/zinc/35/51/20/535355120.db2.gz MNFUYVGCIQWJTL-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO Cc1ccc([C@@H](C)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501477 236088686 /nfs/dbraw/zinc/08/86/86/236088686.db2.gz DQDPJWBYDUZQKF-IUODEOHRSA-N 1 0 291.395 3.071 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426464065 236296886 /nfs/dbraw/zinc/29/68/86/236296886.db2.gz XRQSAFDGTWTEEQ-HIFRSBDPSA-N 1 0 260.337 3.012 20 5 CGBDRO C[C@]12CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1C2(F)F ZINC000298210480 200361424 /nfs/dbraw/zinc/36/14/24/200361424.db2.gz DLZLNCJWUWVHRQ-OLZOCXBDSA-N 1 0 282.290 3.072 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ncccc1[N+](=O)[O-] ZINC000298682304 200502297 /nfs/dbraw/zinc/50/22/97/200502297.db2.gz AHXMZAVEWLEJJW-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO O=[N+]([O-])c1cccc(CNc2[nH+]ccn2-c2ccccc2)c1 ZINC000438931245 238217384 /nfs/dbraw/zinc/21/73/84/238217384.db2.gz OLGUQWFUGHKHGK-UHFFFAOYSA-N 1 0 294.314 3.393 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301507561 201037997 /nfs/dbraw/zinc/03/79/97/201037997.db2.gz DFUQXJJPYJRFLF-GHMZBOCLSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1ocnc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000302075977 201334275 /nfs/dbraw/zinc/33/42/75/201334275.db2.gz JBFKSHSHCIDXEK-UHFFFAOYSA-N 1 0 298.302 3.360 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@@H]1CCO ZINC000342819022 216555383 /nfs/dbraw/zinc/55/53/83/216555383.db2.gz WDJPIORNGWHZSI-OAHLLOKOSA-N 1 0 292.379 3.030 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537989023 288557623 /nfs/dbraw/zinc/55/76/23/288557623.db2.gz ZWIOTZGUMQCZLY-TZMCWYRMSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000479588833 243114018 /nfs/dbraw/zinc/11/40/18/243114018.db2.gz HZZHFIYZVFQRAK-RWCYGVJQSA-N 1 0 288.269 3.396 20 5 CGBDRO C[C@H]1CCCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000481591382 243199935 /nfs/dbraw/zinc/19/99/35/243199935.db2.gz HGWUYQZVGXTCEK-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[NH+](CC)CCCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020090560 368799719 /nfs/dbraw/zinc/79/97/19/368799719.db2.gz HFZNDFFJEATDDF-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccnc2)cc1[N+](=O)[O-] ZINC000035013000 368989694 /nfs/dbraw/zinc/98/96/94/368989694.db2.gz YDTNSYQQXAEELD-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037153283 369069364 /nfs/dbraw/zinc/06/93/64/369069364.db2.gz JUEGLXRTROWGGY-ZIAGYGMSSA-N 1 0 291.395 3.120 20 5 CGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037668289 369098887 /nfs/dbraw/zinc/09/88/87/369098887.db2.gz XFTMLENPKGZZCO-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CCOc1cc(C[N@H+](C)C[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000492721070 244013930 /nfs/dbraw/zinc/01/39/30/244013930.db2.gz JQCOKEJXCBBIPG-GFCCVEGCSA-N 1 0 280.368 3.471 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](C[C@H]1CCSC1)C1CC1 ZINC000495068944 244353184 /nfs/dbraw/zinc/35/31/84/244353184.db2.gz RHPIVEPIOHYMGU-GFCCVEGCSA-N 1 0 292.404 3.312 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000049963379 369425279 /nfs/dbraw/zinc/42/52/79/369425279.db2.gz KUXZJNAYFZXWBI-QMMMGPOBSA-N 1 0 254.717 3.136 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000219190854 376196792 /nfs/dbraw/zinc/19/67/92/376196792.db2.gz NWCNPUQFJSPUFL-NHYWBVRUSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccccn1 ZINC000072835956 369841328 /nfs/dbraw/zinc/84/13/28/369841328.db2.gz DRPHOTSQLQARFN-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266058 296153246 /nfs/dbraw/zinc/15/32/46/296153246.db2.gz RSRPNZBHMRCHRD-WBMJQRKESA-N 1 0 291.395 3.153 20 5 CGBDRO Cn1cccc1C[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093584370 370143636 /nfs/dbraw/zinc/14/36/36/370143636.db2.gz MEJXEQGFOJKMMY-VMPITWQZSA-N 1 0 285.347 3.079 20 5 CGBDRO CCC[C@]1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOC1 ZINC000512885750 245056490 /nfs/dbraw/zinc/05/64/90/245056490.db2.gz TXGYZOUUAGMDSB-YERXGYGTSA-N 1 0 290.363 3.157 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1NCC[C@@H]1CCC[NH2+]C1 ZINC000236048357 189832332 /nfs/dbraw/zinc/83/23/32/189832332.db2.gz VKYZHBDGNKLTQL-JTQLQIEISA-N 1 0 283.759 3.050 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000134395862 371331603 /nfs/dbraw/zinc/33/16/03/371331603.db2.gz PVSOFMLTKPWFEB-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO CSC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135472866 371430297 /nfs/dbraw/zinc/43/02/97/371430297.db2.gz YOPUWOZQQLSVPS-SNVBAGLBSA-N 1 0 268.382 3.387 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cs1 ZINC000344034201 217020407 /nfs/dbraw/zinc/02/04/07/217020407.db2.gz GWNLFPPTVKGFFF-GFCCVEGCSA-N 1 0 266.366 3.278 20 5 CGBDRO CCC(CC)[N@H+](CC)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289567400 371761597 /nfs/dbraw/zinc/76/15/97/371761597.db2.gz YHBQUYSWVCLGRW-UHFFFAOYSA-N 1 0 293.367 3.044 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000337324176 214007379 /nfs/dbraw/zinc/00/73/79/214007379.db2.gz AYRSJZCMCKVSII-VXGBXAGGSA-N 1 0 266.341 3.059 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000156026943 371958596 /nfs/dbraw/zinc/95/85/96/371958596.db2.gz YRFXDCDPQXDORB-ZDUSSCGKSA-N 1 0 288.347 3.341 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1[N+](=O)[O-] ZINC000290492843 372000072 /nfs/dbraw/zinc/00/00/72/372000072.db2.gz OSFFPANWIMHEIZ-CGTJXYLNSA-N 1 0 294.354 3.331 20 5 CGBDRO CCOCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000159577288 372157844 /nfs/dbraw/zinc/15/78/44/372157844.db2.gz BWBDFSZQBAWBJP-UHFFFAOYSA-N 1 0 280.368 3.232 20 5 CGBDRO CC[NH+]1CCC(N[C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000159291881 372127473 /nfs/dbraw/zinc/12/74/73/372127473.db2.gz UDMHKMJYQNYOTA-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344322021 217150279 /nfs/dbraw/zinc/15/02/79/217150279.db2.gz FENAGAJAROUHQF-BXUZGUMPSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000167057440 372588147 /nfs/dbraw/zinc/58/81/47/372588147.db2.gz MWFKQQPKSQKMIH-DOMZBBRYSA-N 1 0 278.352 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+](Cc2cccc(O)c2)C2CC2)cc1 ZINC000171928247 372854956 /nfs/dbraw/zinc/85/49/56/372854956.db2.gz HNFLNHMIEZTQKZ-UHFFFAOYSA-N 1 0 298.342 3.465 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000295766072 372904225 /nfs/dbraw/zinc/90/42/25/372904225.db2.gz QOMUGKPMNSUSLT-ZJQBRPOHSA-N 1 0 278.352 3.120 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353510468 220126967 /nfs/dbraw/zinc/12/69/67/220126967.db2.gz MLLVXJFNKHGVQZ-HOCLYGCPSA-N 1 0 292.379 3.044 20 5 CGBDRO CC(C)C1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000441491525 373023590 /nfs/dbraw/zinc/02/35/90/373023590.db2.gz XZOXVMKRDPUUQE-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000296636673 373201573 /nfs/dbraw/zinc/20/15/73/373201573.db2.gz XUBIUXVTMXUMKE-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ncc(C[N@H+](C)CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000298742598 373397835 /nfs/dbraw/zinc/39/78/35/373397835.db2.gz CGTKJXMPMBCHCO-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000301078320 373649908 /nfs/dbraw/zinc/64/99/08/373649908.db2.gz HPMPRFOCQWQXDV-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NCCC[NH+]1CCCCC1 ZINC000301081845 373653069 /nfs/dbraw/zinc/65/30/69/373653069.db2.gz UBIBLDVVKAYTJG-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO C[NH+](C)CCc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC000301184658 373684929 /nfs/dbraw/zinc/68/49/29/373684929.db2.gz JHBDIDYFFTVQPK-UHFFFAOYSA-N 1 0 285.347 3.443 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304458741 374053996 /nfs/dbraw/zinc/05/39/96/374053996.db2.gz VCMSRGCIECCXEB-SLEUVZQESA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000311766454 374255549 /nfs/dbraw/zinc/25/55/49/374255549.db2.gz VOMMNQPJPWOCMT-SNVBAGLBSA-N 1 0 285.775 3.389 20 5 CGBDRO Cc1ccc([C@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029918 374325369 /nfs/dbraw/zinc/32/53/69/374325369.db2.gz WHBNENAXUNNFHZ-KGLIPLIRSA-N 1 0 293.411 3.283 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331184525 374511737 /nfs/dbraw/zinc/51/17/37/374511737.db2.gz SKRRTOZQKZECRZ-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331184527 374512051 /nfs/dbraw/zinc/51/20/51/374512051.db2.gz SKRRTOZQKZECRZ-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000487572420 375257591 /nfs/dbraw/zinc/25/75/91/375257591.db2.gz LIVBKRMQTNHRKF-RISCZKNCSA-N 1 0 262.353 3.162 20 5 CGBDRO C[N@H+](CCCNc1ncc([N+](=O)[O-])s1)C1CCCCC1 ZINC000189682950 375434801 /nfs/dbraw/zinc/43/48/01/375434801.db2.gz BJAMKWMMMWBSHF-UHFFFAOYSA-N 1 0 298.412 3.118 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCS[C@@H](C)CC2)cc1[N+](=O)[O-] ZINC000190691028 375531062 /nfs/dbraw/zinc/53/10/62/375531062.db2.gz HOKFTDBQZJJKNE-LBPRGKRZSA-N 1 0 280.393 3.231 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336792964 375942054 /nfs/dbraw/zinc/94/20/54/375942054.db2.gz UXQYJRSNFWNZFL-MWLCHTKSSA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000535085017 376025598 /nfs/dbraw/zinc/02/55/98/376025598.db2.gz QLOYUGCPACCDJR-LLVKDONJSA-N 1 0 250.342 3.461 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223501669 376254909 /nfs/dbraw/zinc/25/49/09/376254909.db2.gz ZGKXLQVJOSEPBH-SWLSCSKDSA-N 1 0 280.368 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227337797 376391229 /nfs/dbraw/zinc/39/12/29/376391229.db2.gz LMPMPFYJWBRLHK-ZDUSSCGKSA-N 1 0 298.770 3.297 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCC2)cc1 ZINC000338754973 376516109 /nfs/dbraw/zinc/51/61/09/376516109.db2.gz JEJHRZZFUBKJOH-UHFFFAOYSA-N 1 0 277.368 3.273 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)o1 ZINC000338954033 376598285 /nfs/dbraw/zinc/59/82/85/376598285.db2.gz HRLDISKCNCSWHO-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO CC(C)[C@@H]1CCN1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000543396301 376635909 /nfs/dbraw/zinc/63/59/09/376635909.db2.gz FUFYMVNDIDOPTI-ZDUSSCGKSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](CCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000544352536 376724819 /nfs/dbraw/zinc/72/48/19/376724819.db2.gz DBDULHZEAPQUNF-SNVBAGLBSA-N 1 0 290.285 3.458 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000246070480 376960406 /nfs/dbraw/zinc/96/04/06/376960406.db2.gz CKXYSBIBAHAPKK-CABCVRRESA-N 1 0 292.404 3.455 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@H](F)C1 ZINC000558259309 376993506 /nfs/dbraw/zinc/99/35/06/376993506.db2.gz XYTVLDMVUYZZSD-SDDRHHMPSA-N 1 0 266.316 3.444 20 5 CGBDRO CC[C@H]([NH2+]CC[C@@H](C)F)c1cccc([N+](=O)[O-])c1 ZINC000340466540 377076954 /nfs/dbraw/zinc/07/69/54/377076954.db2.gz ZWSHCEWPWWUWBF-MFKMUULPSA-N 1 0 254.305 3.384 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1C[C@@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000562603570 377337360 /nfs/dbraw/zinc/33/73/60/377337360.db2.gz RPSYFWPPNXCQMS-KKUMJFAQSA-N 1 0 278.352 3.203 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272940 377481835 /nfs/dbraw/zinc/48/18/35/377481835.db2.gz DUHKBHDPLRCNHI-WDEREUQCSA-N 1 0 296.342 3.220 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000085970895 249016219 /nfs/dbraw/zinc/01/62/19/249016219.db2.gz SRMXAAKPZCXLKU-BMFZPTHFSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083169575 249006319 /nfs/dbraw/zinc/00/63/19/249006319.db2.gz XNYDFMLODAKDJU-NSHDSACASA-N 1 0 289.335 3.358 20 5 CGBDRO COC1CCC([N@H+](C)Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000265178861 190164287 /nfs/dbraw/zinc/16/42/87/190164287.db2.gz DJGMAVOSMCUHKN-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000517891668 249272567 /nfs/dbraw/zinc/27/25/67/249272567.db2.gz GSJCQGSMUPTOFL-HOTGVXAUSA-N 1 0 290.363 3.142 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000342296016 377638813 /nfs/dbraw/zinc/63/88/13/377638813.db2.gz GQNGABDJIIWYLY-VXGBXAGGSA-N 1 0 278.352 3.366 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@H]1CCCO1 ZINC000342595160 377680370 /nfs/dbraw/zinc/68/03/70/377680370.db2.gz HFDBVYGOOOEAMZ-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1cccnc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578083194 378035996 /nfs/dbraw/zinc/03/59/96/378035996.db2.gz ORGCXIADEHSGRO-AWEZNQCLSA-N 1 0 283.331 3.075 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268910879 378150311 /nfs/dbraw/zinc/15/03/11/378150311.db2.gz SVEIITKBWPJOJN-DOMZBBRYSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccncc1 ZINC000272358385 378620463 /nfs/dbraw/zinc/62/04/63/378620463.db2.gz MKFPRGPKLUBSIP-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000272471050 378645165 /nfs/dbraw/zinc/64/51/65/378645165.db2.gz RTEZCDKKFBYJFH-WFASDCNBSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235124 378855587 /nfs/dbraw/zinc/85/55/87/378855587.db2.gz BPQNRIWRUDSKNU-JOYOIKCWSA-N 1 0 288.269 3.368 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275047802 378930515 /nfs/dbraw/zinc/93/05/15/378930515.db2.gz JLFJVXXQYCLBNU-OAHLLOKOSA-N 1 0 289.310 3.370 20 5 CGBDRO CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000275233970 378949611 /nfs/dbraw/zinc/94/96/11/378949611.db2.gz DPAYDZHLJBPUJG-XJKCOSOUSA-N 1 0 292.379 3.307 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@@H](C)CC1 ZINC000276888747 379013720 /nfs/dbraw/zinc/01/37/20/379013720.db2.gz FYDAKQUPZQROJG-RYUDHWBXSA-N 1 0 280.393 3.483 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000277200589 379094537 /nfs/dbraw/zinc/09/45/37/379094537.db2.gz JLOUJOVFTIVOQO-OCCSQVGLSA-N 1 0 280.393 3.215 20 5 CGBDRO Cc1cc(NCC2CC[NH+](C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000278016606 379281125 /nfs/dbraw/zinc/28/11/25/379281125.db2.gz ZAFXYWDTYJKKMV-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000280176257 379630359 /nfs/dbraw/zinc/63/03/59/379630359.db2.gz UBVZQVRMJMDHHD-VXGBXAGGSA-N 1 0 280.393 3.307 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000388592205 379889768 /nfs/dbraw/zinc/88/97/68/379889768.db2.gz BCUMGSSIAMBHGW-TZMCWYRMSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(C)(C)OC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000352787663 379960672 /nfs/dbraw/zinc/96/06/72/379960672.db2.gz GQIFSSJZKBKHSI-UHFFFAOYSA-N 1 0 278.352 3.031 20 5 CGBDRO Cc1ccoc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000282980726 380021106 /nfs/dbraw/zinc/02/11/06/380021106.db2.gz JFKJBHVZRYRRAN-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO COCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000353065222 380097988 /nfs/dbraw/zinc/09/79/88/380097988.db2.gz ZKACFRPJAMHXRW-UHFFFAOYSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CCOCC1 ZINC000268225880 190388356 /nfs/dbraw/zinc/38/83/56/190388356.db2.gz XJYKDEYGNVYREF-CYBMUJFWSA-N 1 0 292.379 3.404 20 5 CGBDRO CCCC[C@H](CN)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819497 380429487 /nfs/dbraw/zinc/42/94/87/380429487.db2.gz YXFGYNZKGWWJFM-DZGCQCFKSA-N 1 0 293.411 3.023 20 5 CGBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414919835 380489155 /nfs/dbraw/zinc/48/91/55/380489155.db2.gz VRHPNTIQMJOQJJ-QGZVFWFLSA-N 1 0 297.358 3.344 20 5 CGBDRO CC[C@@H](O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311956 380590078 /nfs/dbraw/zinc/59/00/78/380590078.db2.gz MSPOBBRKOMPUJK-ZBFHGGJFSA-N 1 0 292.379 3.113 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC13CC3)CCC2 ZINC000417337930 380597780 /nfs/dbraw/zinc/59/77/80/380597780.db2.gz MEWIODLZQMFQEI-DOMZBBRYSA-N 1 0 272.348 3.362 20 5 CGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000419373624 380820117 /nfs/dbraw/zinc/82/01/17/380820117.db2.gz OMRVRSURJGKQCD-MXWKQRLJSA-N 1 0 289.335 3.212 20 5 CGBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205357 194331341 /nfs/dbraw/zinc/33/13/41/194331341.db2.gz BFFROLLILWVQLU-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000357718553 381265551 /nfs/dbraw/zinc/26/55/51/381265551.db2.gz WOKAQQDXSPJMAZ-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783513 220327119 /nfs/dbraw/zinc/32/71/19/220327119.db2.gz XSNHZONLYMPEFD-LSDHHAIUSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414241716 533351950 /nfs/dbraw/zinc/35/19/50/533351950.db2.gz LUQVNSOGNSYBLH-GFCCVEGCSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000191046137 130176456 /nfs/dbraw/zinc/17/64/56/130176456.db2.gz DPKSKPSSNAUWSN-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc(C[N@H+]2CCSCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000191810605 130309074 /nfs/dbraw/zinc/30/90/74/130309074.db2.gz LIAIMTIDFGSBOH-LBPRGKRZSA-N 1 0 280.393 3.231 20 5 CGBDRO CC[NH+]1CCC(Nc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000050352089 392063200 /nfs/dbraw/zinc/06/32/00/392063200.db2.gz KWSGDTZKWMTOIP-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO Cc1occc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065536342 392148500 /nfs/dbraw/zinc/14/85/00/392148500.db2.gz HSFREJPHXCAXLG-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CC1 ZINC000058563094 392115566 /nfs/dbraw/zinc/11/55/66/392115566.db2.gz AZHADMVVPUMNEC-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000091098119 392230143 /nfs/dbraw/zinc/23/01/43/392230143.db2.gz GUXFJJWEYHKHGV-LBPRGKRZSA-N 1 0 298.408 3.047 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361948380 392373069 /nfs/dbraw/zinc/37/30/69/392373069.db2.gz ZDBBTGIODXZNDS-IRUJWGPZSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@H]([NH2+]CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000111627269 392382018 /nfs/dbraw/zinc/38/20/18/392382018.db2.gz BLSKAGASSWCCHM-AWEZNQCLSA-N 1 0 291.376 3.335 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)CCCCO)cccc1[N+](=O)[O-] ZINC000296446499 392559618 /nfs/dbraw/zinc/55/96/18/392559618.db2.gz MOZWQYWEDIFPLW-WCQYABFASA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000512201629 392850116 /nfs/dbraw/zinc/85/01/16/392850116.db2.gz KCPBJYFBRNZOOS-NSHDSACASA-N 1 0 266.316 3.498 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000520298912 392917738 /nfs/dbraw/zinc/91/77/38/392917738.db2.gz AKUWSWGHXFGKOG-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000525275113 392937348 /nfs/dbraw/zinc/93/73/48/392937348.db2.gz JYMQABNGUIKVOA-GRYCIOLGSA-N 1 0 280.393 3.482 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])s1 ZINC000195509054 392970001 /nfs/dbraw/zinc/97/00/01/392970001.db2.gz GOLRFJFRYAQFKG-LLVKDONJSA-N 1 0 298.412 3.118 20 5 CGBDRO CC(C)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000466738286 393053592 /nfs/dbraw/zinc/05/35/92/393053592.db2.gz TULHZWWLHUZSGJ-CQSZACIVSA-N 1 0 292.379 3.342 20 5 CGBDRO C[C@H](N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247255527 393073134 /nfs/dbraw/zinc/07/31/34/393073134.db2.gz YPGYQBHZMGZLFL-DUVNUKRYSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000349211678 393141202 /nfs/dbraw/zinc/14/12/02/393141202.db2.gz HSHHIWXAMNISLJ-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CCSCC1 ZINC000468637715 393156648 /nfs/dbraw/zinc/15/66/48/393156648.db2.gz KDPXVIKLTZJGPQ-XFXZXTDPSA-N 1 0 292.404 3.483 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271826747 393255220 /nfs/dbraw/zinc/25/52/20/393255220.db2.gz SZBBMZBAKFVBGH-NEPJUHHUSA-N 1 0 266.341 3.061 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000268990388 393215993 /nfs/dbraw/zinc/21/59/93/393215993.db2.gz RAWITUQYLMHHCH-WFASDCNBSA-N 1 0 280.368 3.225 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCSC2)C2CC2)c1 ZINC000278425981 393321347 /nfs/dbraw/zinc/32/13/47/393321347.db2.gz JGKWKNGVDRWPQW-ZDUSSCGKSA-N 1 0 292.404 3.312 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554220 393477908 /nfs/dbraw/zinc/47/79/08/393477908.db2.gz ARYBLNAMHDOWQE-TZMCWYRMSA-N 1 0 278.352 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccccc2F)cc1 ZINC000475577204 393408977 /nfs/dbraw/zinc/40/89/77/393408977.db2.gz CFMMQNHJZUOBGF-UHFFFAOYSA-N 1 0 288.322 3.456 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578703 393486514 /nfs/dbraw/zinc/48/65/14/393486514.db2.gz JMUSTVUPNCAFHJ-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1C[C@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358018 393496431 /nfs/dbraw/zinc/49/64/31/393496431.db2.gz QWXMJUBVPWAHJA-YPMHNXCESA-N 1 0 260.337 3.215 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429769383 393500247 /nfs/dbraw/zinc/50/02/47/393500247.db2.gz IHFAXOUVUICSNB-QWHCGFSZSA-N 1 0 278.352 3.142 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000430229976 393545052 /nfs/dbraw/zinc/54/50/52/393545052.db2.gz WYZNUJCXVNVLAW-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421849992 393636171 /nfs/dbraw/zinc/63/61/71/393636171.db2.gz CKKCCUOIPMAFQU-NJZAAPMLSA-N 1 0 278.352 3.203 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000433082528 393684311 /nfs/dbraw/zinc/68/43/11/393684311.db2.gz LFSQHORDCJNGNX-KOHJWAIASA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493278953 393769954 /nfs/dbraw/zinc/76/99/54/393769954.db2.gz GJRXPHYGLREQLZ-SECBINFHSA-N 1 0 254.717 3.090 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000449576066 393910503 /nfs/dbraw/zinc/91/05/03/393910503.db2.gz ZOENGGXRMPMSPC-FAQJLRJSSA-N 1 0 298.346 3.100 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000502866142 393885427 /nfs/dbraw/zinc/88/54/27/393885427.db2.gz NBPSOIPDKCWVSL-ZYHUDNBSSA-N 1 0 289.335 3.404 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000453178293 394197040 /nfs/dbraw/zinc/19/70/40/394197040.db2.gz NTSCHJRVPIZMSO-INIZCTEOSA-N 1 0 274.364 3.306 20 5 CGBDRO CC(C)C1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453220631 394210022 /nfs/dbraw/zinc/21/00/22/394210022.db2.gz JHIJNXNXUDHMNN-GFCCVEGCSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000453421156 394241756 /nfs/dbraw/zinc/24/17/56/394241756.db2.gz YIPDSAWUWVDGNQ-WPGHFRTFSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000414285481 287039229 /nfs/dbraw/zinc/03/92/29/287039229.db2.gz RSQDMOCDTITCLC-NRWUCQMLSA-N 1 0 278.352 3.059 20 5 CGBDRO CCC[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000081776631 287076210 /nfs/dbraw/zinc/07/62/10/287076210.db2.gz SWIFWOWGFFSXEI-NSHDSACASA-N 1 0 268.382 3.465 20 5 CGBDRO CC[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000076073199 165108254 /nfs/dbraw/zinc/10/82/54/165108254.db2.gz OWFRSGPXCAELSA-CYBMUJFWSA-N 1 0 280.393 3.231 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](CC)COC)c1cccc([N+](=O)[O-])c1 ZINC000079737516 165149565 /nfs/dbraw/zinc/14/95/65/165149565.db2.gz RSRHEZXDTURGHN-UKRRQHHQSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081709757 165165381 /nfs/dbraw/zinc/16/53/81/165165381.db2.gz FNJYWPHFIZIRNC-WFASDCNBSA-N 1 0 280.368 3.451 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000092427553 165292748 /nfs/dbraw/zinc/29/27/48/165292748.db2.gz HPDPMVLFBKLTDO-PMGBHYCQSA-N 1 0 290.363 3.109 20 5 CGBDRO C[N@@H+](Cc1c(Cl)cccc1[N+](=O)[O-])CC1CCOCC1 ZINC000119603303 287171665 /nfs/dbraw/zinc/17/16/65/287171665.db2.gz PSIKEMUMZPVYAS-UHFFFAOYSA-N 1 0 298.770 3.107 20 5 CGBDRO CC1(C)CC(Nc2ccc(F)cc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000023618129 171424122 /nfs/dbraw/zinc/42/41/22/171424122.db2.gz YUQYNAQPMSSGLG-UHFFFAOYSA-N 1 0 295.358 3.455 20 5 CGBDRO CSC[C@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000284868696 196146984 /nfs/dbraw/zinc/14/69/84/196146984.db2.gz PQGNSNNWOZQNST-FZMZJTMJSA-N 1 0 294.420 3.257 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccco1 ZINC000035739290 172393323 /nfs/dbraw/zinc/39/33/23/172393323.db2.gz ZHYWEHOBASMDIO-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO CCC[C@@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000285508242 196308327 /nfs/dbraw/zinc/30/83/27/196308327.db2.gz JRHSYNHCGOKXIH-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO CC[C@H]([NH2+]CCCCF)c1cccc([N+](=O)[O-])c1 ZINC000285578944 196332932 /nfs/dbraw/zinc/33/29/32/196332932.db2.gz KBDUWHXDLHPHOL-ZDUSSCGKSA-N 1 0 254.305 3.385 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000037255318 173066094 /nfs/dbraw/zinc/06/60/94/173066094.db2.gz YYIMYNMQRVBQPL-DGCLKSJQSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC(F)F)cc1[N+](=O)[O-] ZINC000194043439 287611629 /nfs/dbraw/zinc/61/16/29/287611629.db2.gz PRBADYSHJKTJTC-SNVBAGLBSA-N 1 0 288.294 3.183 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000135486487 274178793 /nfs/dbraw/zinc/17/87/93/274178793.db2.gz GCBACPJWRMYZEM-CYBMUJFWSA-N 1 0 280.393 3.231 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051532622 264006835 /nfs/dbraw/zinc/00/68/35/264006835.db2.gz MXMSNUYCRWFKIS-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000042895067 270033486 /nfs/dbraw/zinc/03/34/86/270033486.db2.gz JYWUHGLOIIZCJZ-ZDUSSCGKSA-N 1 0 286.331 3.324 20 5 CGBDRO Cc1cc(NCC2([NH+](C)C)CCCC2)ccc1[N+](=O)[O-] ZINC000107815733 270050538 /nfs/dbraw/zinc/05/05/38/270050538.db2.gz YCGWKIKYIFZDKZ-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191668541 270075736 /nfs/dbraw/zinc/07/57/36/270075736.db2.gz IHSITAFRMAUUHM-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000237936169 270091193 /nfs/dbraw/zinc/09/11/93/270091193.db2.gz CGJOHVONIOWMBG-JKSUJKDBSA-N 1 0 282.343 3.488 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000322833373 270094214 /nfs/dbraw/zinc/09/42/14/270094214.db2.gz ZZYMDLDZQSFNCV-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO Cc1ccc(C[NH2+]C23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000368256630 267156513 /nfs/dbraw/zinc/15/65/13/267156513.db2.gz MGCBKLNYJCCXDH-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279169605 273589590 /nfs/dbraw/zinc/58/95/90/273589590.db2.gz UQSBHGXWYSXUND-YGRLFVJLSA-N 1 0 292.404 3.412 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285591648 273757213 /nfs/dbraw/zinc/75/72/13/273757213.db2.gz BLVBFCXKUXZPQC-GXFFZTMASA-N 1 0 293.323 3.171 20 5 CGBDRO COC[C@@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000265446113 274045536 /nfs/dbraw/zinc/04/55/36/274045536.db2.gz VWAURDQJQRVTGD-INIZCTEOSA-N 1 0 295.382 3.090 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCSC1)CCC2 ZINC000448027427 275037961 /nfs/dbraw/zinc/03/79/61/275037961.db2.gz MYHOBNDTESZEMP-ABAIWWIYSA-N 1 0 292.404 3.315 20 5 CGBDRO CC(C)C1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000339508476 275559840 /nfs/dbraw/zinc/55/98/40/275559840.db2.gz IOZPTQQWXSRRGD-UHFFFAOYSA-N 1 0 252.289 3.012 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@H]2O)cc1[N+](=O)[O-] ZINC000348561773 276052472 /nfs/dbraw/zinc/05/24/72/276052472.db2.gz YADMAZMRCZHOKQ-GOEBONIOSA-N 1 0 292.379 3.063 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747086 277250778 /nfs/dbraw/zinc/25/07/78/277250778.db2.gz XLIWFQVFTUOKHN-ZIAGYGMSSA-N 1 0 292.379 3.404 20 5 CGBDRO C[NH2+]CCC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000070190114 277266149 /nfs/dbraw/zinc/26/61/49/277266149.db2.gz WXRWYKARFJWZRW-UHFFFAOYSA-N 1 0 297.786 3.074 20 5 CGBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962050 277319496 /nfs/dbraw/zinc/31/94/96/277319496.db2.gz CBFWHDOXDNLICW-BBRMVZONSA-N 1 0 292.379 3.465 20 5 CGBDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975106 277326225 /nfs/dbraw/zinc/32/62/25/277326225.db2.gz CLKWIOOXHNXAQA-FIXISWKDSA-N 1 0 292.379 3.330 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000132477511 278281746 /nfs/dbraw/zinc/28/17/46/278281746.db2.gz AAZPVXXDGROXMR-QWRGUYRKSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H]([NH2+]C1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000163267241 278336881 /nfs/dbraw/zinc/33/68/81/278336881.db2.gz IMOFEQRXWHUEOC-SNVBAGLBSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332131702 278466343 /nfs/dbraw/zinc/46/63/43/278466343.db2.gz DYWVIJPUTAGCIW-PWSUYJOCSA-N 1 0 288.351 3.139 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449641805 288120457 /nfs/dbraw/zinc/12/04/57/288120457.db2.gz VVGKIBFGFVKDBW-NOLJZWGESA-N 1 0 294.395 3.055 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531718139 288342848 /nfs/dbraw/zinc/34/28/48/288342848.db2.gz MRWIVJDNWHVWSY-NORZTCDRSA-N 1 0 294.395 3.351 20 5 CGBDRO COC(C)(C)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000533478793 288382623 /nfs/dbraw/zinc/38/26/23/288382623.db2.gz WNWNEASOOBKXTE-LLVKDONJSA-N 1 0 266.341 3.013 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CCO)C(C)(C)C ZINC000545018670 288871986 /nfs/dbraw/zinc/87/19/86/288871986.db2.gz XBVMMDINUAPPOL-WFASDCNBSA-N 1 0 294.395 3.351 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000549578149 289047335 /nfs/dbraw/zinc/04/73/35/289047335.db2.gz SKCRBSWSSGNXAW-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](CC3CC3)C2)c1 ZINC000550414454 289076473 /nfs/dbraw/zinc/07/64/73/289076473.db2.gz MYWUFBGNNDCEFR-AWEZNQCLSA-N 1 0 290.363 3.096 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000552067582 289158592 /nfs/dbraw/zinc/15/85/92/289158592.db2.gz PYPJYCNMGBFQAP-KBPBESRZSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000388647150 327914330 /nfs/dbraw/zinc/91/43/30/327914330.db2.gz YTLWIZLJGBKCRS-QWRGUYRKSA-N 1 0 266.316 3.260 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000565344349 322074253 /nfs/dbraw/zinc/07/42/53/322074253.db2.gz JZUGJJWVYZCKPB-HNNXBMFYSA-N 1 0 290.363 3.286 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000566617398 322131703 /nfs/dbraw/zinc/13/17/03/322131703.db2.gz DZCHJKRGVRFOEB-MRXNPFEDSA-N 1 0 297.358 3.022 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000568840752 322224421 /nfs/dbraw/zinc/22/44/21/322224421.db2.gz LSUOAQIJAUYYPV-OBCWZRDOSA-N 1 0 260.337 3.434 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000571058327 322288698 /nfs/dbraw/zinc/28/86/98/322288698.db2.gz SZUQNPLFCWJJHD-COFUAWPYSA-N 1 0 278.327 3.478 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCCSC1 ZINC000572975271 322364200 /nfs/dbraw/zinc/36/42/00/322364200.db2.gz RGAYVVRFGMTQOR-GWCFXTLKSA-N 1 0 278.377 3.067 20 5 CGBDRO CC1(C)CC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583642178 328725249 /nfs/dbraw/zinc/72/52/49/328725249.db2.gz RGNQMWQINHXATM-CHWSQXEVSA-N 1 0 292.383 3.053 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc(F)c(F)c2)cc1 ZINC000190286207 328799389 /nfs/dbraw/zinc/79/93/89/328799389.db2.gz DGJDDKDIODMXJX-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC23CCC[NH+]2CCC3)c(Cl)c1 ZINC000583672401 328844915 /nfs/dbraw/zinc/84/49/15/328844915.db2.gz VWVLOKKZTTVXPW-UHFFFAOYSA-N 1 0 295.770 3.289 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@@H]2CCCOC2)cs1 ZINC000576104532 335154682 /nfs/dbraw/zinc/15/46/82/335154682.db2.gz OWKXWGLFALESTJ-OLZOCXBDSA-N 1 0 296.392 3.047 20 5 CGBDRO C[C@@H](CC1CC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576546239 335217591 /nfs/dbraw/zinc/21/75/91/335217591.db2.gz ODOMHTFIRJVYNH-NSHDSACASA-N 1 0 287.363 3.397 20 5 CGBDRO CCC(C)(CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000386359920 336171589 /nfs/dbraw/zinc/17/15/89/336171589.db2.gz QCFUDJCADAXQLN-UHFFFAOYSA-N 1 0 254.305 3.402 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774319 521036821 /nfs/dbraw/zinc/03/68/21/521036821.db2.gz XIKUYJFRIZYULT-JTQLQIEISA-N 1 0 254.305 3.354 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccsc1 ZINC000449072931 534254051 /nfs/dbraw/zinc/25/40/51/534254051.db2.gz QUEXXGDBHQWATP-LBPRGKRZSA-N 1 0 290.388 3.420 20 5 CGBDRO Cc1cnc([C@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449222493 534659230 /nfs/dbraw/zinc/65/92/30/534659230.db2.gz CTBZUKWOUMORBJ-PWSUYJOCSA-N 1 0 289.335 3.173 20 5 CGBDRO Cc1ncc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC000449130170 534744777 /nfs/dbraw/zinc/74/47/77/534744777.db2.gz FVIFNILDTRIPDT-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183958144 524573674 /nfs/dbraw/zinc/57/36/74/524573674.db2.gz UBNIHRZZKVWOIK-NSHDSACASA-N 1 0 291.376 3.287 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094773751 525449573 /nfs/dbraw/zinc/44/95/73/525449573.db2.gz SEAJWJNVZWZYMC-JTQLQIEISA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000048261602 525923580 /nfs/dbraw/zinc/92/35/80/525923580.db2.gz VSXWPZNVQLCAJZ-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)CC(C)(C)CO)cc1[N+](=O)[O-] ZINC000449417331 528091289 /nfs/dbraw/zinc/09/12/89/528091289.db2.gz XLRHTQCAORISGE-UHFFFAOYSA-N 1 0 294.395 3.169 20 5 CGBDRO CCC[C@H]([NH2+]CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000122248007 528215885 /nfs/dbraw/zinc/21/58/85/528215885.db2.gz ZEXFELZDRAWYAU-AWEZNQCLSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000162239306 528832247 /nfs/dbraw/zinc/83/22/47/528832247.db2.gz VLQPIJMHBURKFX-CVEARBPZSA-N 1 0 294.395 3.433 20 5 CGBDRO CCOC[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000355182517 529022193 /nfs/dbraw/zinc/02/21/93/529022193.db2.gz VFPLSXSBSWAWMU-HUUCEWRRSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CC12CC2)c1cccc([N+](=O)[O-])c1 ZINC000417364306 529179161 /nfs/dbraw/zinc/17/91/61/529179161.db2.gz MPVWMKIPOMDTGG-TZMCWYRMSA-N 1 0 260.337 3.436 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429769380 529311706 /nfs/dbraw/zinc/31/17/06/529311706.db2.gz IHFAXOUVUICSNB-OLZOCXBDSA-N 1 0 278.352 3.142 20 5 CGBDRO COC1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000130008524 536738414 /nfs/dbraw/zinc/73/84/14/536738414.db2.gz LQLBEBGEYLFMOS-ZOODHJKOSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000484299096 536808921 /nfs/dbraw/zinc/80/89/21/536808921.db2.gz ZSBJUPPDYZRSCY-BYCMXARLSA-N 1 0 292.379 3.367 20 5 CGBDRO CC1(C)CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000726964762 571690369 /nfs/dbraw/zinc/69/03/69/571690369.db2.gz CXCJCEKAWVIGAZ-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746666449 572889936 /nfs/dbraw/zinc/88/99/36/572889936.db2.gz NPNVIZKDBIEMLZ-VIFPVBQESA-N 1 0 254.717 3.090 20 5 CGBDRO C[C@@H]([N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21)C1(C)CC1 ZINC000176829173 618742221 /nfs/dbraw/zinc/74/22/21/618742221.db2.gz NBQJJIDXQPGPCZ-LLVKDONJSA-N 1 0 288.351 3.022 20 5 CGBDRO CCCSC[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000892714745 618919086 /nfs/dbraw/zinc/91/90/86/618919086.db2.gz QWLAEUUDVIDNHC-LLVKDONJSA-N 1 0 298.408 3.225 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCc1cscn1 ZINC000893041123 618983146 /nfs/dbraw/zinc/98/31/46/618983146.db2.gz LBNVVXQGBRMYQA-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO Cc1coc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c1 ZINC000894028524 619354570 /nfs/dbraw/zinc/35/45/70/619354570.db2.gz SNLARGZOBPDMDD-UHFFFAOYSA-N 1 0 272.304 3.055 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000049094099 619693255 /nfs/dbraw/zinc/69/32/55/619693255.db2.gz XREYEILLSFGHCR-MNOVXSKESA-N 1 0 266.341 3.128 20 5 CGBDRO COc1cc[nH+]c(NCc2ccc(Cl)c([N+](=O)[O-])c2)c1 ZINC000179011154 619737919 /nfs/dbraw/zinc/73/79/19/619737919.db2.gz ZJFNAPOPLVIAHU-UHFFFAOYSA-N 1 0 293.710 3.264 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897463156 620339905 /nfs/dbraw/zinc/33/99/05/620339905.db2.gz BYFSMCZWIHYFPB-OLZOCXBDSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000897464363 620339925 /nfs/dbraw/zinc/33/99/25/620339925.db2.gz LVINWMBLSMCDMH-MCIONIFRSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897460125 620340010 /nfs/dbraw/zinc/34/00/10/620340010.db2.gz QFIFQWJFGDRXEV-WFASDCNBSA-N 1 0 297.358 3.370 20 5 CGBDRO CC[C@](C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000323046097 620529430 /nfs/dbraw/zinc/52/94/30/620529430.db2.gz PLVGIEPKDPQYCB-CYBMUJFWSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\Cl ZINC000898434268 620587011 /nfs/dbraw/zinc/58/70/11/620587011.db2.gz UNPUOBRFKJEBEK-NJHLSQGMSA-N 1 0 268.744 3.258 20 5 CGBDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000902969044 621502326 /nfs/dbraw/zinc/50/23/26/621502326.db2.gz AVJYXBZXHRITML-LSDHHAIUSA-N 1 0 292.379 3.341 20 5 CGBDRO CC[C@H](C)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903055989 621545459 /nfs/dbraw/zinc/54/54/59/621545459.db2.gz OJJLIPDZBVHGJE-UWVGGRQHSA-N 1 0 252.314 3.053 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC2(SC)CC2)cc([N+](=O)[O-])c1 ZINC000903160019 621604725 /nfs/dbraw/zinc/60/47/25/621604725.db2.gz TWTBLCQVIQAKPL-JTQLQIEISA-N 1 0 296.392 3.150 20 5 CGBDRO CCC1([NH2+][C@@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903180079 621615479 /nfs/dbraw/zinc/61/54/79/621615479.db2.gz WZAHUFGKOKZSIC-JTQLQIEISA-N 1 0 264.325 3.197 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245142 621637265 /nfs/dbraw/zinc/63/72/65/621637265.db2.gz IULCKNUHDKAGRP-MNOVXSKESA-N 1 0 288.351 3.081 20 5 CGBDRO C[C@H](CSCCF)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287246 621669808 /nfs/dbraw/zinc/66/98/08/621669808.db2.gz LWPVXTOOBIMJOF-GHMZBOCLSA-N 1 0 286.372 3.337 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903318907 621673802 /nfs/dbraw/zinc/67/38/02/621673802.db2.gz SHQPYOFDRLJIHU-PQFRYHKHSA-N 1 0 275.352 3.016 20 5 CGBDRO CCC[C@@H]([NH2+]C1CC(CCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000903327932 621702829 /nfs/dbraw/zinc/70/28/29/621702829.db2.gz BMPFCEIMLMKBGR-LDZOIKDWSA-N 1 0 292.379 3.187 20 5 CGBDRO CS[C@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230696583 623262724 /nfs/dbraw/zinc/26/27/24/623262724.db2.gz RJRCOHOOOKSUHV-UWVGGRQHSA-N 1 0 272.395 3.030 20 5 CGBDRO Cc1nn(C[N@@H+]2CCC3(C2)CCCCC3)c(C)c1[N+](=O)[O-] ZINC000172938103 623300912 /nfs/dbraw/zinc/30/09/12/623300912.db2.gz VGOSAPXXKXOLCW-UHFFFAOYSA-N 1 0 292.383 3.022 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000174276236 623381429 /nfs/dbraw/zinc/38/14/29/623381429.db2.gz UDSNIFYMPTZQRW-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO CC1(C)CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154365307 624261795 /nfs/dbraw/zinc/26/17/95/624261795.db2.gz QRDOHHKYBVTLCC-HNNXBMFYSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]1Cc2cc(C[NH2+]Cc3cccc([N+](=O)[O-])c3)ccc2O1 ZINC000921619067 625709781 /nfs/dbraw/zinc/70/97/81/625709781.db2.gz LMMDZOTZUAOCKK-LBPRGKRZSA-N 1 0 298.342 3.208 20 5 CGBDRO CC[NH+](CC)CCNc1cc(Cl)c(F)cc1[N+](=O)[O-] ZINC000233437159 624628201 /nfs/dbraw/zinc/62/82/01/624628201.db2.gz HOKREUMJVFZMSX-UHFFFAOYSA-N 1 0 289.738 3.141 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000839676408 626777196 /nfs/dbraw/zinc/77/71/96/626777196.db2.gz LWKXZHGNIHMWHX-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1cc(NCC2=CC[N@H+](C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000760579921 626979790 /nfs/dbraw/zinc/97/97/90/626979790.db2.gz MIQQEGOHXVALOR-UHFFFAOYSA-N 1 0 295.770 3.230 20 5 CGBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000767372778 627402657 /nfs/dbraw/zinc/40/26/57/627402657.db2.gz HIWQFDJQXOUBGQ-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC(C)C ZINC000774839022 628037071 /nfs/dbraw/zinc/03/70/71/628037071.db2.gz FPPUXHQIGOXHLJ-UHFFFAOYSA-N 1 0 295.339 3.371 20 5 CGBDRO C[C@H]([NH2+]C[Si](C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000775572164 628108869 /nfs/dbraw/zinc/10/88/69/628108869.db2.gz QBUOXFYMTYYFPV-JTQLQIEISA-N 1 0 252.390 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCCCO ZINC000776166447 628174392 /nfs/dbraw/zinc/17/43/92/628174392.db2.gz AEKOMZCPKCNSEV-CYBMUJFWSA-N 1 0 280.368 3.107 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783630093 628733316 /nfs/dbraw/zinc/73/33/16/628733316.db2.gz RXEINSPTZYQXTK-SNVBAGLBSA-N 1 0 268.744 3.384 20 5 CGBDRO CC1CC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000783638787 628734228 /nfs/dbraw/zinc/73/42/28/628734228.db2.gz OQKUVQMMKJFXCW-UHFFFAOYSA-N 1 0 254.717 3.136 20 5 CGBDRO CC(C)=CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000790698588 629225308 /nfs/dbraw/zinc/22/53/08/629225308.db2.gz PMODGNMYMCAHNB-UHFFFAOYSA-N 1 0 289.379 3.119 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCSC2)cc1Cl ZINC000790926595 629241254 /nfs/dbraw/zinc/24/12/54/629241254.db2.gz MJILIVPUQRINON-JTQLQIEISA-N 1 0 286.784 3.091 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801539663 630342236 /nfs/dbraw/zinc/34/22/36/630342236.db2.gz MEEANTOOHIHVPJ-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804461741 630529528 /nfs/dbraw/zinc/52/95/28/630529528.db2.gz RWNKQYHYQSAYQZ-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO Cc1cccc(C)c1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000809735103 630795422 /nfs/dbraw/zinc/79/54/22/630795422.db2.gz SNCNFSURLZWKAY-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552509 631794128 /nfs/dbraw/zinc/79/41/28/631794128.db2.gz DBASFBKIBXWBDJ-COPLHBTASA-N 1 0 277.368 3.406 20 5 CGBDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552872 631794174 /nfs/dbraw/zinc/79/41/74/631794174.db2.gz MKKKUBCGEHPCNK-VHSXEESVSA-N 1 0 251.330 3.016 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592895 631802581 /nfs/dbraw/zinc/80/25/81/631802581.db2.gz VMQXEFYGKORHSF-GVXVVHGQSA-N 1 0 277.368 3.406 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@@H]1C ZINC000816646221 632030997 /nfs/dbraw/zinc/03/09/97/632030997.db2.gz AEEICMSNFGJFFA-XBJLJFKASA-N 1 0 260.337 3.338 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1OCCCCCCC[NH3+] ZINC000818619933 632342372 /nfs/dbraw/zinc/34/23/72/632342372.db2.gz OUWUQNRGRNIEKF-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO CCCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000819157089 632391925 /nfs/dbraw/zinc/39/19/25/632391925.db2.gz MZGHNPBXGDOJGU-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819341835 632434726 /nfs/dbraw/zinc/43/47/26/632434726.db2.gz LENYJZMYTNDUCI-XNRPHZJLSA-N 1 0 292.379 3.044 20 5 CGBDRO CC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)C[C@H](C)[NH2+]1 ZINC000865974206 632967477 /nfs/dbraw/zinc/96/74/77/632967477.db2.gz QEKPRSFXLQVEME-VHSXEESVSA-N 1 0 299.321 3.109 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866248256 633044348 /nfs/dbraw/zinc/04/43/48/633044348.db2.gz CEGHXLBQOASZFZ-LBPRGKRZSA-N 1 0 298.358 3.071 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC=CCC1 ZINC000866299744 633069506 /nfs/dbraw/zinc/06/95/06/633069506.db2.gz PIHPSNGMNIDIOC-RISCZKNCSA-N 1 0 278.327 3.363 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1(C)CC1 ZINC000866302495 633072572 /nfs/dbraw/zinc/07/25/72/633072572.db2.gz HWWDQEQQWZRHDN-JTQLQIEISA-N 1 0 266.316 3.055 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000866346943 633091657 /nfs/dbraw/zinc/09/16/57/633091657.db2.gz DXVWDPLQOKPLDA-QMMMGPOBSA-N 1 0 288.269 3.052 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000866379071 633111545 /nfs/dbraw/zinc/11/15/45/633111545.db2.gz FLBIFMWXNFKJCC-SGESHTKJSA-N 1 0 278.327 3.053 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCSC1 ZINC000866405217 633125159 /nfs/dbraw/zinc/12/51/59/633125159.db2.gz YXDFTTMIGBPOBI-SMDDNHRTSA-N 1 0 292.404 3.315 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000866453566 633142618 /nfs/dbraw/zinc/14/26/18/633142618.db2.gz OMXGHBPYTMDINP-KCPJHIHWSA-N 1 0 292.379 3.185 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824782917 633288766 /nfs/dbraw/zinc/28/87/66/633288766.db2.gz AVLYLRIPYXMRSR-MNOVXSKESA-N 1 0 268.744 3.384 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1(F)F ZINC000827251784 633475461 /nfs/dbraw/zinc/47/54/61/633475461.db2.gz NMIQHWICOVCGHM-LLVKDONJSA-N 1 0 290.697 3.383 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CC1=CCCC1)C2 ZINC000828099731 633560809 /nfs/dbraw/zinc/56/08/09/633560809.db2.gz UWQGDHOQFBSGPH-UHFFFAOYSA-N 1 0 258.321 3.063 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000871931756 633919083 /nfs/dbraw/zinc/91/90/83/633919083.db2.gz KDIUDZFQANVKAF-MZGVZZPPSA-N 1 0 290.363 3.203 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831339709 633944816 /nfs/dbraw/zinc/94/48/16/633944816.db2.gz VSLDRJSBFUNEBJ-UKRRQHHQSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1c(F)cccc1[N+](=O)[O-] ZINC000872040175 633960784 /nfs/dbraw/zinc/96/07/84/633960784.db2.gz XFSSMYFYMVUIHH-NSHDSACASA-N 1 0 298.358 3.183 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCCO ZINC000872041823 633964611 /nfs/dbraw/zinc/96/46/11/633964611.db2.gz LBKPMFTZRBBUGE-MNOVXSKESA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872047004 633971130 /nfs/dbraw/zinc/97/11/30/633971130.db2.gz BAFIZANBWKEKDG-GHMZBOCLSA-N 1 0 298.358 3.182 20 5 CGBDRO CS[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050637 633973207 /nfs/dbraw/zinc/97/32/07/633973207.db2.gz ALGJZGRGGDFFKU-RKDXNWHRSA-N 1 0 272.345 3.136 20 5 CGBDRO COCC1([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872057763 633980153 /nfs/dbraw/zinc/98/01/53/633980153.db2.gz IBJNTVOEYSLUBU-SNVBAGLBSA-N 1 0 296.392 3.146 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000872059977 633983082 /nfs/dbraw/zinc/98/30/82/633983082.db2.gz LEWPIOGANUPWMW-WOPDTQHZSA-N 1 0 296.342 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@H](C)O ZINC000872066550 633988814 /nfs/dbraw/zinc/98/88/14/633988814.db2.gz JEBMGAZVVGNTMD-QWRGUYRKSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083795 634007444 /nfs/dbraw/zinc/00/74/44/634007444.db2.gz OWEKIAJYOKUMPE-QWRGUYRKSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H](CC1CCOCC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129821 634051432 /nfs/dbraw/zinc/05/14/32/634051432.db2.gz WPKIOJLYUZOOJH-CHWSQXEVSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c(C[NH2+]C[C@H](CCO)CC(C)C)cccc1[N+](=O)[O-] ZINC000873066484 634240894 /nfs/dbraw/zinc/24/08/94/634240894.db2.gz YJBRNMUNSGXQJP-CQSZACIVSA-N 1 0 294.395 3.038 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000873069561 634240954 /nfs/dbraw/zinc/24/09/54/634240954.db2.gz JZHZVNRHSWSYOD-GFCCVEGCSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000873099023 634246281 /nfs/dbraw/zinc/24/62/81/634246281.db2.gz RCMFWIHFJWFUHA-TZMCWYRMSA-N 1 0 292.379 3.116 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873127575 634251694 /nfs/dbraw/zinc/25/16/94/634251694.db2.gz UHSVXNLMIVQSKK-UHFFFAOYSA-N 1 0 294.395 3.446 20 5 CGBDRO Cc1c(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873149071 634257887 /nfs/dbraw/zinc/25/78/87/634257887.db2.gz LIQYKRFTXBBMOJ-HNNXBMFYSA-N 1 0 292.379 3.341 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCSC1 ZINC000873146586 634258316 /nfs/dbraw/zinc/25/83/16/634258316.db2.gz MWKQOCTZQNXGJQ-CYBMUJFWSA-N 1 0 294.420 3.444 20 5 CGBDRO C[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000877057737 634965668 /nfs/dbraw/zinc/96/56/68/634965668.db2.gz MTHUZYMBGWKXCY-XGNXJENSSA-N 1 0 292.383 3.053 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C34CCC(CC3)C4)nc2c1 ZINC000877310113 635023365 /nfs/dbraw/zinc/02/33/65/635023365.db2.gz ZMSNWDIWFLOMCI-UHFFFAOYSA-N 1 0 287.319 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C23CCC(CC2)C3)cc1 ZINC000877309946 635023761 /nfs/dbraw/zinc/02/37/61/635023761.db2.gz WHAUPNLVLVVWMH-UHFFFAOYSA-N 1 0 260.337 3.060 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000877565578 635094281 /nfs/dbraw/zinc/09/42/81/635094281.db2.gz KCZODJFQEQLVAK-WBMJQRKESA-N 1 0 292.379 3.068 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H]3CSC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000877736210 635169655 /nfs/dbraw/zinc/16/96/55/635169655.db2.gz QTPSYMLUNZOHLT-UONOGXRCSA-N 1 0 292.404 3.088 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000877827649 635230053 /nfs/dbraw/zinc/23/00/53/635230053.db2.gz HHUUZIKXONMRGK-WCABBAIRSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCOC1 ZINC000880470202 636006584 /nfs/dbraw/zinc/00/65/84/636006584.db2.gz OCIUARLZKSIKGH-GXTWGEPZSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000848566245 636609637 /nfs/dbraw/zinc/60/96/37/636609637.db2.gz ZZRTTWASYQBWMO-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCc2ccns2)cccc1[N+](=O)[O-] ZINC000883247942 636617690 /nfs/dbraw/zinc/61/76/90/636617690.db2.gz BVSUQBZCMGMJHC-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1nc(NCC[NH2+]C2CCCCCC2)ccc1[N+](=O)[O-] ZINC000133571503 636941187 /nfs/dbraw/zinc/94/11/87/636941187.db2.gz DWWWYQRMMUUWJO-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1C=CCC1 ZINC000850358750 637027234 /nfs/dbraw/zinc/02/72/34/637027234.db2.gz KRTCEBPJWBCEMB-UQTJOTSZSA-N 1 0 258.321 3.306 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000135191224 637095952 /nfs/dbraw/zinc/09/59/52/637095952.db2.gz SYUBPJCEXWRDRL-JTQLQIEISA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=CCC1 ZINC000850510571 637096565 /nfs/dbraw/zinc/09/65/65/637096565.db2.gz UVNQVFVIXJLTEK-JSGCOSHPSA-N 1 0 260.337 3.224 20 5 CGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885973663 637338873 /nfs/dbraw/zinc/33/88/73/637338873.db2.gz XSMFIXYTVDYYTB-CYBMUJFWSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@H]1C[C@H](c2ccccc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012617 637361495 /nfs/dbraw/zinc/36/14/95/637361495.db2.gz LHVUNJKERTWODJ-BBRMVZONSA-N 1 0 297.358 3.368 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000886086045 637402826 /nfs/dbraw/zinc/40/28/26/637402826.db2.gz GUPHJLBHCOCCND-GJZGRUSLSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])CC12CCC2 ZINC000886102569 637414509 /nfs/dbraw/zinc/41/45/09/637414509.db2.gz KGPLTZXCEHVMRU-GFCCVEGCSA-N 1 0 275.352 3.002 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000886107115 637417352 /nfs/dbraw/zinc/41/73/52/637417352.db2.gz LCPQFKBKXFFOOY-LLVKDONJSA-N 1 0 263.341 3.048 20 5 CGBDRO CC1(C)CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140407 637432244 /nfs/dbraw/zinc/43/22/44/637432244.db2.gz HBEDCUDBJUZTJQ-LBPRGKRZSA-N 1 0 263.341 3.048 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886211763 637458940 /nfs/dbraw/zinc/45/89/40/637458940.db2.gz XGWKWQTYPJSHIT-NSHDSACASA-N 1 0 251.330 3.000 20 5 CGBDRO CC1(C)CO[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000886307325 637492380 /nfs/dbraw/zinc/49/23/80/637492380.db2.gz PEZVWYPSJVJMNP-CYBMUJFWSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1ccc(CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000925735113 638587783 /nfs/dbraw/zinc/58/77/83/638587783.db2.gz SYDQACCZDRJWGZ-CXAGYDPISA-N 1 0 299.374 3.081 20 5 CGBDRO C[C@@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000925827064 638623697 /nfs/dbraw/zinc/62/36/97/638623697.db2.gz QONVDXKQFRAWPW-NVGVWMPQSA-N 1 0 297.358 3.390 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926893959 638822294 /nfs/dbraw/zinc/82/22/94/638822294.db2.gz UUMCHSVACXEOBU-ZJUUUORDSA-N 1 0 268.744 3.405 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC(C)([NH+](C)C)CC1 ZINC000931349159 639138655 /nfs/dbraw/zinc/13/86/55/639138655.db2.gz VIVGJSOKVHFMCE-CYBMUJFWSA-N 1 0 291.395 3.072 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000932177108 639287770 /nfs/dbraw/zinc/28/77/70/639287770.db2.gz HXWHXNXJYLNIGP-CYBMUJFWSA-N 1 0 285.347 3.273 20 5 CGBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934233243 639564768 /nfs/dbraw/zinc/56/47/68/639564768.db2.gz IIRSVCBCDVWVQC-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774922 640802293 /nfs/dbraw/zinc/80/22/93/640802293.db2.gz UZHFGMZDWGVVFO-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO [NH3+]CCc1ccc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc1 ZINC001159645662 806141010 /nfs/dbraw/zinc/14/10/10/806141010.db2.gz DVUXAIOUBVJINI-UHFFFAOYSA-N 1 0 293.273 3.118 20 5 CGBDRO CC[C@@H]1C[C@@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373769 806387722 /nfs/dbraw/zinc/38/77/22/806387722.db2.gz HJFXCVHDRHSIQB-BLLLJJGKSA-N 1 0 290.363 3.116 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC001254533095 806444337 /nfs/dbraw/zinc/44/43/37/806444337.db2.gz VAWORLPZVGSAMM-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1cnccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532901 806444536 /nfs/dbraw/zinc/44/45/36/806444536.db2.gz SIEIRSPWJYDYMN-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(F)CC1 ZINC001254550358 806447441 /nfs/dbraw/zinc/44/74/41/806447441.db2.gz IHDWWRNGZQGVNZ-GFCCVEGCSA-N 1 0 280.343 3.350 20 5 CGBDRO CC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254565739 806451633 /nfs/dbraw/zinc/45/16/33/806451633.db2.gz GLGYKGCZMSCKNB-CQSZACIVSA-N 1 0 274.364 3.374 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254577659 806454518 /nfs/dbraw/zinc/45/45/18/806454518.db2.gz GBJQDXCAKRAFLZ-KCPJHIHWSA-N 1 0 274.364 3.230 20 5 CGBDRO CCCC[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254587853 806455740 /nfs/dbraw/zinc/45/57/40/806455740.db2.gz BQIYDTZGUAGGLC-BXUZGUMPSA-N 1 0 262.353 3.230 20 5 CGBDRO C[C@]1(F)CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594981 806456629 /nfs/dbraw/zinc/45/66/29/806456629.db2.gz ULRWKXUOHVZHNO-CVEARBPZSA-N 1 0 292.354 3.276 20 5 CGBDRO C[C@H]1CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601098 806458229 /nfs/dbraw/zinc/45/82/29/806458229.db2.gz ZGNQJEADCIWUBM-LRDDRELGSA-N 1 0 274.364 3.184 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601368 806458600 /nfs/dbraw/zinc/45/86/00/806458600.db2.gz YTWPFAZDVIDYGZ-BLLLJJGKSA-N 1 0 274.364 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1C3CCCC1CCC3)C2 ZINC001254609302 806461580 /nfs/dbraw/zinc/46/15/80/806461580.db2.gz VDDMTBFIVMUNMP-DQPZFDDXSA-N 1 0 286.375 3.469 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001162401260 806577107 /nfs/dbraw/zinc/57/71/07/806577107.db2.gz KSPPTYGKVDKPDV-VFZNBBLXSA-N 1 0 295.770 3.269 20 5 CGBDRO Cc1c(NC(=[NH2+])C(C)(C)C)ccc([N+](=O)[O-])c1[N+](=O)[O-] ZINC001162661605 806642311 /nfs/dbraw/zinc/64/23/11/806642311.db2.gz XFXBXBCFJFCAGT-UHFFFAOYSA-N 1 0 280.284 3.247 20 5 CGBDRO CC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037110111 798858816 /nfs/dbraw/zinc/85/88/16/798858816.db2.gz LXHJSXQNKASXTK-VIFPVBQESA-N 1 0 256.733 3.479 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000686507220 799734853 /nfs/dbraw/zinc/73/48/53/799734853.db2.gz PGDDSFIBPQJPIL-OUAUKWLOSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000701535952 799889644 /nfs/dbraw/zinc/88/96/44/799889644.db2.gz MXDDNYFYHXBHSF-ZWNOBZJWSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1c(C[NH2+]CCC2(F)CCC2)cccc1[N+](=O)[O-] ZINC000702488650 799909983 /nfs/dbraw/zinc/90/99/83/799909983.db2.gz YUJXVKKYBRLIBR-UHFFFAOYSA-N 1 0 266.316 3.275 20 5 CGBDRO CSC1CC([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000708269004 799985838 /nfs/dbraw/zinc/98/58/38/799985838.db2.gz IDQFINABIRWHJK-PKSQDBQZSA-N 1 0 280.393 3.448 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccns1 ZINC000709840145 800020902 /nfs/dbraw/zinc/02/09/02/800020902.db2.gz ZNBTYFJEVXNILG-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccns2)cc1[N+](=O)[O-] ZINC000709967926 800024254 /nfs/dbraw/zinc/02/42/54/800024254.db2.gz SAEUWLCTKBXLIK-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001163710740 806805871 /nfs/dbraw/zinc/80/58/71/806805871.db2.gz HWYLWKDHXWQDJJ-NSHDSACASA-N 1 0 295.358 3.327 20 5 CGBDRO Cc1cc(Cl)c(N(CCC[NH3+])C(C)C)c([N+](=O)[O-])c1 ZINC001164129115 806898402 /nfs/dbraw/zinc/89/84/02/806898402.db2.gz YSMJWLNBLDNFTH-UHFFFAOYSA-N 1 0 285.775 3.120 20 5 CGBDRO CC[C@@H](C)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168692082 807482391 /nfs/dbraw/zinc/48/23/91/807482391.db2.gz XEFHKYSYJADJFE-MNOVXSKESA-N 1 0 277.368 3.435 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001168956490 807541387 /nfs/dbraw/zinc/54/13/87/807541387.db2.gz BABKTFUGWMHUGA-WDEREUQCSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001168968194 807543589 /nfs/dbraw/zinc/54/35/89/807543589.db2.gz XITQOMHCBZXGIB-IUODEOHRSA-N 1 0 274.364 3.099 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC001168976479 807545341 /nfs/dbraw/zinc/54/53/41/807545341.db2.gz DBWBMKOAUUHUCG-BXUZGUMPSA-N 1 0 294.782 3.364 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168979917 807545878 /nfs/dbraw/zinc/54/58/78/807545878.db2.gz CEQCMBAXGNQNDJ-XUJVJEKNSA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC001168979722 807546039 /nfs/dbraw/zinc/54/60/39/807546039.db2.gz ZRZXOKZOSQHMAZ-CRAIPNDOSA-N 1 0 298.386 3.417 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001168978581 807546089 /nfs/dbraw/zinc/54/60/89/807546089.db2.gz SPLLKOVGIOODDG-GXSJLCMTSA-N 1 0 286.734 3.014 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983345 807547309 /nfs/dbraw/zinc/54/73/09/807547309.db2.gz JLYJDVBUYQBLRZ-UGFHNGPFSA-N 1 0 280.343 3.312 20 5 CGBDRO CC1(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998541 807549228 /nfs/dbraw/zinc/54/92/28/807549228.db2.gz OKBOPUHIAHWGMB-RYUDHWBXSA-N 1 0 290.354 3.237 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001169001661 807549514 /nfs/dbraw/zinc/54/95/14/807549514.db2.gz HFFHDKKOQAKCEU-IXPVHAAZSA-N 1 0 298.333 3.451 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001169003529 807550523 /nfs/dbraw/zinc/55/05/23/807550523.db2.gz NWXJVEJBZQZPRZ-CWRNSKLLSA-N 1 0 276.380 3.481 20 5 CGBDRO Cc1ccc2cccc(C[NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)c2n1 ZINC001169008713 807551341 /nfs/dbraw/zinc/55/13/41/807551341.db2.gz UGMNLLCNPNOLNY-CJNGLKHVSA-N 1 0 299.374 3.078 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC001169007404 807552253 /nfs/dbraw/zinc/55/22/53/807552253.db2.gz NFVQLKCRUMYLJM-LSDHHAIUSA-N 1 0 280.412 3.478 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC[C@H]2c2cccnc2)C1 ZINC001169021872 807554784 /nfs/dbraw/zinc/55/47/84/807554784.db2.gz ASWRGDVIOMMHSX-IMJJTQAJSA-N 1 0 289.379 3.054 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccs2)C1 ZINC001169030317 807555398 /nfs/dbraw/zinc/55/53/98/807555398.db2.gz YQSAIRRDAMUIFE-JHJVBQTASA-N 1 0 280.393 3.330 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030096 807556279 /nfs/dbraw/zinc/55/62/79/807556279.db2.gz WCMAZWKAMHPZOW-MJBXVCDLSA-N 1 0 254.374 3.086 20 5 CGBDRO O=[N+]([O-])c1cc2c(cc1N[C@H]1CCCC(F)(F)C1)C[NH2+]C2 ZINC001169219376 807606040 /nfs/dbraw/zinc/60/60/40/807606040.db2.gz UCPMCSQIMLSZRR-NSHDSACASA-N 1 0 297.305 3.188 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)c1cnccn1 ZINC001169532455 807656603 /nfs/dbraw/zinc/65/66/03/807656603.db2.gz GBNFZEKLJCYULM-AWEZNQCLSA-N 1 0 285.415 3.246 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H](F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261481934 807748691 /nfs/dbraw/zinc/74/86/91/807748691.db2.gz VHQJDEABWQMCJA-WCQGTBRESA-N 1 0 281.331 3.108 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344403 807828269 /nfs/dbraw/zinc/82/82/69/807828269.db2.gz BTKQFROSSIKTSR-TZMCWYRMSA-N 1 0 292.379 3.409 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1-n1c(CC[NH3+])cc2ccccc21 ZINC001171305686 808023984 /nfs/dbraw/zinc/02/39/84/808023984.db2.gz VFTNGPRDEWOBGT-UHFFFAOYSA-N 1 0 295.342 3.348 20 5 CGBDRO CC(C)CC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898202 808475941 /nfs/dbraw/zinc/47/59/41/808475941.db2.gz ISCHQQLIRJMTES-HNNXBMFYSA-N 1 0 276.380 3.478 20 5 CGBDRO CC(C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898331 808475997 /nfs/dbraw/zinc/47/59/97/808475997.db2.gz KYNRCAVQEUTXOT-AWEZNQCLSA-N 1 0 262.353 3.088 20 5 CGBDRO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898263 808476273 /nfs/dbraw/zinc/47/62/73/808476273.db2.gz JXEFLMBHWTZZMF-IUODEOHRSA-N 1 0 276.380 3.476 20 5 CGBDRO [NH3+]CCc1cccn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903313 808476614 /nfs/dbraw/zinc/47/66/14/808476614.db2.gz PZHWGKPAXALION-INIZCTEOSA-N 1 0 299.374 3.018 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@@H]1C1CC1)CC2 ZINC001172907716 808476660 /nfs/dbraw/zinc/47/66/60/808476660.db2.gz HTPMPOVYOUPAQA-DJIMGWMZSA-N 1 0 286.375 3.230 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC(C)(C)C)c1F ZINC001173175902 808533209 /nfs/dbraw/zinc/53/32/09/808533209.db2.gz UTTUPVPCFNYDGN-JTQLQIEISA-N 1 0 298.358 3.309 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001173210094 808537298 /nfs/dbraw/zinc/53/72/98/808537298.db2.gz IGNCVMIAWYJQMV-IACUBPJLSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C1CC1 ZINC001173210799 808537910 /nfs/dbraw/zinc/53/79/10/808537910.db2.gz NQBQIWUBZMGXPG-LLVKDONJSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCCCO1 ZINC001173214900 808538448 /nfs/dbraw/zinc/53/84/48/808538448.db2.gz RHYBLFVNAAIAFT-XJKSGUPXSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1nccs1 ZINC001173215825 808538497 /nfs/dbraw/zinc/53/84/97/808538497.db2.gz FJKMXQSDYGSFIU-MNOVXSKESA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccncc1 ZINC001173215684 808539090 /nfs/dbraw/zinc/53/90/90/808539090.db2.gz YNHSAFQLKFKHKT-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)CC12CC2 ZINC001173233227 808543450 /nfs/dbraw/zinc/54/34/50/808543450.db2.gz UUHPPNAKJIJWEK-CHWSQXEVSA-N 1 0 274.364 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2occc2C1 ZINC001173234234 808543629 /nfs/dbraw/zinc/54/36/29/808543629.db2.gz QGSBNWQNZHUDGZ-GFCCVEGCSA-N 1 0 286.331 3.177 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2c[nH+]ccc2N2CCCC2)cc1 ZINC001174476853 809032072 /nfs/dbraw/zinc/03/20/72/809032072.db2.gz AYKFHDZMIUYRFJ-UHFFFAOYSA-N 1 0 284.319 3.334 20 5 CGBDRO C[N@@H+]1CCC=C(Nc2cccc3nc4ccccc4nc32)C1 ZINC001175580701 809461031 /nfs/dbraw/zinc/46/10/31/809461031.db2.gz QQJXVXWUZFUZPG-UHFFFAOYSA-N 1 0 290.370 3.414 20 5 CGBDRO Cc1cccc2c1[nH+]c(N)n2-c1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175900670 809566959 /nfs/dbraw/zinc/56/69/59/809566959.db2.gz SKOABTVFWLLGKB-MDZDMXLPSA-N 1 0 294.314 3.164 20 5 CGBDRO Cc1ccc2[nH+]c(N)n(-c3ccc(C)c([N+](=O)[O-])c3)c2c1 ZINC001213661349 815319405 /nfs/dbraw/zinc/31/94/05/815319405.db2.gz BVSHUGNQVXTTLW-UHFFFAOYSA-N 1 0 282.303 3.133 20 5 CGBDRO Cc1ccc(Nc2ccc3[nH+]ccn3c2)cc1[N+](=O)[O-] ZINC001213661644 815319575 /nfs/dbraw/zinc/31/95/75/815319575.db2.gz RUNTXKICCLWOFX-UHFFFAOYSA-N 1 0 268.276 3.295 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC001179768695 809943276 /nfs/dbraw/zinc/94/32/76/809943276.db2.gz SOZDDNUKZWBESN-NILFDRSVSA-N 1 0 290.363 3.272 20 5 CGBDRO CCC(CC)[N@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001182141466 810095228 /nfs/dbraw/zinc/09/52/28/810095228.db2.gz UUCCISCCPPBXID-UHFFFAOYSA-N 1 0 296.367 3.320 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001184440607 810200179 /nfs/dbraw/zinc/20/01/79/810200179.db2.gz SUAKHIAEFHQHEG-CMPLNLGQSA-N 1 0 268.744 3.382 20 5 CGBDRO Cc1ccc(NC[C@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001184740132 810216497 /nfs/dbraw/zinc/21/64/97/810216497.db2.gz LTZKBXFPZJDLGU-MRXNPFEDSA-N 1 0 291.395 3.436 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521630 810722386 /nfs/dbraw/zinc/72/23/86/810722386.db2.gz UCISKNKXWKWPDD-VXGBXAGGSA-N 1 0 262.353 3.388 20 5 CGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001191788946 810741016 /nfs/dbraw/zinc/74/10/16/810741016.db2.gz BVFFOCBFGHWEKU-OCCSQVGLSA-N 1 0 294.399 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2C=CCC2)c1 ZINC001203485936 812372898 /nfs/dbraw/zinc/37/28/98/812372898.db2.gz RFOOOHMBEJGBPO-SNVBAGLBSA-N 1 0 298.289 3.252 20 5 CGBDRO CC(C)(C)c1cc(Nc2ccc([N+](=O)[O-])nc2)cc[nH+]1 ZINC001203568571 812395190 /nfs/dbraw/zinc/39/51/90/812395190.db2.gz FHAYEAGXZHWXPK-UHFFFAOYSA-N 1 0 272.308 3.426 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1cc[nH+]c(N(C)C)c1 ZINC001211287229 814871078 /nfs/dbraw/zinc/87/10/78/814871078.db2.gz HGRKBKQDJOTWJO-UHFFFAOYSA-N 1 0 272.308 3.108 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001217955108 816016068 /nfs/dbraw/zinc/01/60/68/816016068.db2.gz WVLBNBCYLVOTHK-AULYBMBSSA-N 1 0 295.338 3.075 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C1 ZINC001217957915 816017788 /nfs/dbraw/zinc/01/77/88/816017788.db2.gz WUEPXHLOAYKLLL-OCAPTIKFSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001217983377 816032013 /nfs/dbraw/zinc/03/20/13/816032013.db2.gz BKCCZAPTEGXBRP-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C[NH2+]1 ZINC001218047784 816073120 /nfs/dbraw/zinc/07/31/20/816073120.db2.gz CWNZZRBLKXASQD-PXAZEXFGSA-N 1 0 298.342 3.391 20 5 CGBDRO Cc1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)cc(C)c1[N+](=O)[O-] ZINC001218090926 816092265 /nfs/dbraw/zinc/09/22/65/816092265.db2.gz JDLLBJPCFLEQFG-GOEBONIOSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc(OC2CC3(C2)CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC001218106211 816100712 /nfs/dbraw/zinc/10/07/12/816100712.db2.gz MKWMWTRPIQPHPZ-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC3(C[NH2+]C3)C2)c2ccccc21 ZINC001218234596 816134628 /nfs/dbraw/zinc/13/46/28/816134628.db2.gz IUQPWFXRIHUBQL-LBPRGKRZSA-N 1 0 298.342 3.269 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224025475 816723303 /nfs/dbraw/zinc/72/33/03/816723303.db2.gz MPSRCTMIOSSSHV-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1ccc(C)c2c1CCC[C@@H]2OCC[N+](C)(C)C ZINC001224775786 816879507 /nfs/dbraw/zinc/87/95/07/816879507.db2.gz PIUWQZCQPNCSEX-INIZCTEOSA-N 1 0 262.417 3.404 20 5 CGBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001225474724 817065065 /nfs/dbraw/zinc/06/50/65/817065065.db2.gz RNIZRABMCDOUTF-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OC(F)(F)F)cc1 ZINC001225621204 817115357 /nfs/dbraw/zinc/11/53/57/817115357.db2.gz SDOFWYGZAJDDRW-JTQLQIEISA-N 1 0 278.294 3.059 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cccc([N+](=O)[O-])c1C ZINC001225689588 817143362 /nfs/dbraw/zinc/14/33/62/817143362.db2.gz LADLYOCGUMSYOO-NSHDSACASA-N 1 0 266.341 3.012 20 5 CGBDRO Cc1ccc(Br)cc1O[C@@H](C)C[N+](C)(C)C ZINC001225743241 817163703 /nfs/dbraw/zinc/16/37/03/817163703.db2.gz LDGNIPVVIPSYBH-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225787906 817178877 /nfs/dbraw/zinc/17/88/77/817178877.db2.gz IUAQRSHHIGXKJX-SNVBAGLBSA-N 1 0 284.743 3.110 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc(C(F)(F)F)c1 ZINC001225914191 817214723 /nfs/dbraw/zinc/21/47/23/817214723.db2.gz QARHEHHVCVWHRK-SECBINFHSA-N 1 0 280.285 3.318 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226445867 817359696 /nfs/dbraw/zinc/35/96/96/817359696.db2.gz GWZAHBHSUJSGPI-ZDUSSCGKSA-N 1 0 292.379 3.365 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001226447443 817359933 /nfs/dbraw/zinc/35/99/33/817359933.db2.gz VJEJSYWDJLOSJS-NSHDSACASA-N 1 0 280.368 3.221 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001226992167 817528338 /nfs/dbraw/zinc/52/83/38/817528338.db2.gz IWCNSLBRJFWZEQ-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ccc(Cl)nc21 ZINC001227115539 817562479 /nfs/dbraw/zinc/56/24/79/817562479.db2.gz KTLFLYPUVDFNHO-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1cc[nH]n1 ZINC001227618077 817684775 /nfs/dbraw/zinc/68/47/75/817684775.db2.gz UHYXDFLNPRWVAP-NSHDSACASA-N 1 0 294.806 3.204 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001228229692 817844951 /nfs/dbraw/zinc/84/49/51/817844951.db2.gz KRFFRWNWUNKZFX-CYBMUJFWSA-N 1 0 280.368 3.321 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)C1 ZINC001228256435 817851638 /nfs/dbraw/zinc/85/16/38/817851638.db2.gz WQAIGZLPAHNHGJ-GFCCVEGCSA-N 1 0 284.743 3.110 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001228256639 817852526 /nfs/dbraw/zinc/85/25/26/817852526.db2.gz YXOQCIFMKSZMPX-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)[C@H]1CCOC1 ZINC001232223991 818285028 /nfs/dbraw/zinc/28/50/28/818285028.db2.gz YFKCBYKGNUVTFM-INIZCTEOSA-N 1 0 293.370 3.004 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc(-c2ccccc2)c1 ZINC001233625498 818662004 /nfs/dbraw/zinc/66/20/04/818662004.db2.gz XNDXLDTYXGYOAW-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO CCOc1ccc(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001233648463 818669108 /nfs/dbraw/zinc/66/91/08/818669108.db2.gz SNMKOOJNJCQHEN-LLVKDONJSA-N 1 0 272.796 3.212 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(OC(F)(F)F)ccc1F ZINC001234374083 818845468 /nfs/dbraw/zinc/84/54/68/818845468.db2.gz UGCXOLGVYTVEJH-SECBINFHSA-N 1 0 296.284 3.198 20 5 CGBDRO CC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])c(C)c2C)CC1 ZINC001234872526 818941322 /nfs/dbraw/zinc/94/13/22/818941322.db2.gz XIFYXUJLUSPXEL-UHFFFAOYSA-N 1 0 292.379 3.383 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ccc(F)cc21 ZINC001234964357 818967182 /nfs/dbraw/zinc/96/71/82/818967182.db2.gz YMHDXWIJRWCSHW-GFCCVEGCSA-N 1 0 262.348 3.452 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236285045 819413155 /nfs/dbraw/zinc/41/31/55/819413155.db2.gz CLIWUUIPTYGUJL-JXFKEZNVSA-N 1 0 288.394 3.397 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC=CCC1)C2 ZINC001341569606 936442546 /nfs/dbraw/zinc/44/25/46/936442546.db2.gz RNJABSUUORFKRW-GFCCVEGCSA-N 1 0 258.321 3.267 20 5 CGBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C ZINC001347850210 936899306 /nfs/dbraw/zinc/89/93/06/936899306.db2.gz JEWCKXZDPJEBSU-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO Cc1ccc(COCCC[N+](C)(C)C)c(OC(C)C)c1 ZINC001224621334 927438859 /nfs/dbraw/zinc/43/88/59/927438859.db2.gz RLJQYQJZQBDVNR-UHFFFAOYSA-N 1 0 280.432 3.395 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC001458111198 937451435 /nfs/dbraw/zinc/45/14/35/937451435.db2.gz XPWRQHGURMLOLE-RYUDHWBXSA-N 1 0 297.424 3.436 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC001458267815 937457094 /nfs/dbraw/zinc/45/70/94/937457094.db2.gz ICXMKQUUJZKAPI-LBPRGKRZSA-N 1 0 297.424 3.436 20 5 CGBDRO C[C@@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001458603667 937469928 /nfs/dbraw/zinc/46/99/28/937469928.db2.gz MLKWAGVABWESKJ-CYBMUJFWSA-N 1 0 289.379 3.048 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229117213 932099118 /nfs/dbraw/zinc/09/91/18/932099118.db2.gz ZPRZHUUKOGLDAY-QXKWGGNCSA-N 1 0 290.363 3.186 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001229202502 932114835 /nfs/dbraw/zinc/11/48/35/932114835.db2.gz XFVAOULBIFTKLL-ZDUSSCGKSA-N 1 0 296.342 3.294 20 5 CGBDRO C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001461161599 937567094 /nfs/dbraw/zinc/56/70/94/937567094.db2.gz UMKFYJWHYQWMPI-WFASDCNBSA-N 1 0 292.379 3.388 20 5 CGBDRO Cc1cc(OC2CC[NH+](C(C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229471205 932157334 /nfs/dbraw/zinc/15/73/34/932157334.db2.gz YBNFQYCWUVDNSL-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC[C@@H](C)O1 ZINC001461639159 937589873 /nfs/dbraw/zinc/58/98/73/937589873.db2.gz ZZGBOOONXLTWIL-TZMCWYRMSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1ccc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1C ZINC001230180628 932538530 /nfs/dbraw/zinc/53/85/30/932538530.db2.gz PZGZQNWWHAZAMI-NSHDSACASA-N 1 0 256.797 3.430 20 5 CGBDRO Cc1cc(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc([N+](=O)[O-])c1C ZINC001230471973 932576793 /nfs/dbraw/zinc/57/67/93/932576793.db2.gz WWERKRBBTAPZJY-NHAGDIPZSA-N 1 0 290.363 3.216 20 5 CGBDRO Cc1cc(OC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1C ZINC001230471890 932576819 /nfs/dbraw/zinc/57/68/19/932576819.db2.gz UOQAVGMTZFQPAD-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001306932371 932897416 /nfs/dbraw/zinc/89/74/16/932897416.db2.gz UHQRFTRVXJECJM-NWDGAFQWSA-N 1 0 295.358 3.409 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001307633945 932979432 /nfs/dbraw/zinc/97/94/32/932979432.db2.gz PPSCVQNCKPGNPX-WOSRLPQWSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c(C[N@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001307850874 933007800 /nfs/dbraw/zinc/00/78/00/933007800.db2.gz AXLHSTRHTFMGRA-DMDPSCGWSA-N 1 0 262.353 3.380 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3c2CCC3)c1 ZINC001308357087 933099928 /nfs/dbraw/zinc/09/99/28/933099928.db2.gz ODCTVHPGYMYLJO-UHFFFAOYSA-N 1 0 296.370 3.416 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@@H](C)OC(C)(C)C1 ZINC001308592475 933138707 /nfs/dbraw/zinc/13/87/07/933138707.db2.gz KTZZZYSXZWESFW-GFCCVEGCSA-N 1 0 292.379 3.211 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC001329643929 935237148 /nfs/dbraw/zinc/23/71/48/935237148.db2.gz RLMPAUHKELZEHL-QXEWZRGKSA-N 1 0 252.289 3.183 20 5 CGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C1CC1 ZINC001474562752 937867083 /nfs/dbraw/zinc/86/70/83/937867083.db2.gz ZLQYBBYFAUVJCB-HNNXBMFYSA-N 1 0 274.364 3.258 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1C[C@H]1C ZINC000414077905 529627849 /nfs/dbraw/zinc/62/78/49/529627849.db2.gz QHRVZJWLHHZHBT-WXHSDQCUSA-N 1 0 278.352 3.128 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@H]1C ZINC000592380924 346981838 /nfs/dbraw/zinc/98/18/38/346981838.db2.gz VDXPIZDRFZKVFO-QBGAIBADSA-N 1 0 292.404 3.482 20 5 CGBDRO CC(C)c1ccc(CN2CCC(C)([NH3+])CC2)cc1[N+](=O)[O-] ZINC000592431570 346985881 /nfs/dbraw/zinc/98/58/81/346985881.db2.gz JRILYRYRCDITBS-UHFFFAOYSA-N 1 0 291.395 3.031 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC23CCCC3)cc1 ZINC000593038293 347029957 /nfs/dbraw/zinc/02/99/57/347029957.db2.gz GUVZIEIWERIQAW-UHFFFAOYSA-N 1 0 260.337 3.156 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116721 347041343 /nfs/dbraw/zinc/04/13/43/347041343.db2.gz OCQIPPUHGAIARJ-GXFFZTMASA-N 1 0 282.290 3.387 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079368 344954773 /nfs/dbraw/zinc/95/47/73/344954773.db2.gz ISFLPBXTSAHYQQ-IUODEOHRSA-N 1 0 278.352 3.142 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000037404437 344949894 /nfs/dbraw/zinc/94/98/94/344949894.db2.gz FAPZDQVUKXQYOG-JTQLQIEISA-N 1 0 295.770 3.144 20 5 CGBDRO COc1ccc(C[N@H+](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000052246269 345101349 /nfs/dbraw/zinc/10/13/49/345101349.db2.gz LZOKATWYONNXCR-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000058874028 345202481 /nfs/dbraw/zinc/20/24/81/345202481.db2.gz MYKBOKGDXJCOSO-UHFFFAOYSA-N 1 0 256.305 3.227 20 5 CGBDRO CC(C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000065533890 345273622 /nfs/dbraw/zinc/27/36/22/345273622.db2.gz AOYBYZRCRPOAGB-UHFFFAOYSA-N 1 0 280.368 3.340 20 5 CGBDRO Cc1c(C[NH+]2C[C@@H](C)S[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000075894703 345526910 /nfs/dbraw/zinc/52/69/10/345526910.db2.gz HERJBYGLFVMYQK-GHMZBOCLSA-N 1 0 280.393 3.229 20 5 CGBDRO CC(C)C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000078071827 345591128 /nfs/dbraw/zinc/59/11/28/345591128.db2.gz KUYFWCXOOQDMEN-UHFFFAOYSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000158467902 232237493 /nfs/dbraw/zinc/23/74/93/232237493.db2.gz OGMUWTGYCXFTNB-NXEZZACHSA-N 1 0 283.759 3.143 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000140544650 346105494 /nfs/dbraw/zinc/10/54/94/346105494.db2.gz YLMBZLLBNHJJLN-LLVKDONJSA-N 1 0 254.355 3.277 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000172021692 346214518 /nfs/dbraw/zinc/21/45/18/346214518.db2.gz ODDIMDZSVDXIJV-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CCC3)CC2)cc1 ZINC000174242499 346239499 /nfs/dbraw/zinc/23/94/99/346239499.db2.gz DRXHZGXMUSJBDJ-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3cnccc32)cc1 ZINC000237982358 346348229 /nfs/dbraw/zinc/34/82/29/346348229.db2.gz KPBFROHWJKBZPV-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000293102217 346430604 /nfs/dbraw/zinc/43/06/04/346430604.db2.gz LBZZDXDBGOAHKS-ZIAGYGMSSA-N 1 0 292.379 3.059 20 5 CGBDRO C[C@@H]([NH2+]CCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000308701692 346468084 /nfs/dbraw/zinc/46/80/84/346468084.db2.gz ZFGRPSKUNUKLCE-LLVKDONJSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311691020 346474798 /nfs/dbraw/zinc/47/47/98/346474798.db2.gz KIPILLBMISCXBL-KOLCDFICSA-N 1 0 270.279 3.433 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000403351041 346596402 /nfs/dbraw/zinc/59/64/02/346596402.db2.gz ILZYEUNJOGNDAJ-IGHBBLSQSA-N 1 0 260.337 3.434 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1 ZINC000403456701 346596752 /nfs/dbraw/zinc/59/67/52/346596752.db2.gz HFIUCLDDWVLHAL-HZSPNIEDSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CCC3)CC2)cc1 ZINC000586782983 346734524 /nfs/dbraw/zinc/73/45/24/346734524.db2.gz FVWCQHVOMNHQMO-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CCC3)CC2)c1 ZINC000586783016 346734995 /nfs/dbraw/zinc/73/49/95/346734995.db2.gz JEVGDGMPDNYTBT-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594042500 347143238 /nfs/dbraw/zinc/14/32/38/347143238.db2.gz JQRRUYZQOSGSPF-GJZGRUSLSA-N 1 0 278.352 3.032 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594041569 347143505 /nfs/dbraw/zinc/14/35/05/347143505.db2.gz FUYBBQQUQBVPSO-DZGCQCFKSA-N 1 0 296.342 3.171 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594493986 347177573 /nfs/dbraw/zinc/17/75/73/347177573.db2.gz CXLPJDFJIPUIES-YPMHNXCESA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000594496171 347178674 /nfs/dbraw/zinc/17/86/74/347178674.db2.gz ITHSJYGBALQPAG-YPMHNXCESA-N 1 0 280.393 3.011 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC[C@@H](C)SC2)cccc1[N+](=O)[O-] ZINC000594499790 347180292 /nfs/dbraw/zinc/18/02/92/347180292.db2.gz JVAYWMSCFUEZCT-MFKMUULPSA-N 1 0 280.393 3.277 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000594995513 347251894 /nfs/dbraw/zinc/25/18/94/347251894.db2.gz MXXUAPIBUKUFCG-USXIJHARSA-N 1 0 298.317 3.162 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000594979846 347247791 /nfs/dbraw/zinc/24/77/91/347247791.db2.gz MGAYOKCMGWPQLU-QGZVFWFLSA-N 1 0 298.342 3.386 20 5 CGBDRO CC[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594980541 347247860 /nfs/dbraw/zinc/24/78/60/347247860.db2.gz RKAUMJBKPRBHHZ-VSKVDJIOSA-N 1 0 260.337 3.386 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CCC2)c(F)c1 ZINC000594978864 347247963 /nfs/dbraw/zinc/24/79/63/347247963.db2.gz YAJFIDWQUKYWGB-UHFFFAOYSA-N 1 0 266.316 3.404 20 5 CGBDRO CC[C@@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594980672 347248043 /nfs/dbraw/zinc/24/80/43/347248043.db2.gz QPJLELVHPXLPRY-OAHLLOKOSA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109089 347285165 /nfs/dbraw/zinc/28/51/65/347285165.db2.gz SUENRGSTYQBQFM-UKRRQHHQSA-N 1 0 292.379 3.451 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000595008046 347255419 /nfs/dbraw/zinc/25/54/19/347255419.db2.gz OWHNJTNGIGKILW-SNVBAGLBSA-N 1 0 290.363 3.443 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595013414 347257371 /nfs/dbraw/zinc/25/73/71/347257371.db2.gz QVAYBJKLYVYIKM-UKRRQHHQSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H](CSCCF)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595025372 347260770 /nfs/dbraw/zinc/26/07/70/347260770.db2.gz GWABSAIHLMFQBP-QWRGUYRKSA-N 1 0 286.372 3.337 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCSCC1 ZINC000595025786 347261038 /nfs/dbraw/zinc/26/10/38/347261038.db2.gz NGUNQLGFFCWSNH-ZDUSSCGKSA-N 1 0 280.393 3.013 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC[C@H](C)F ZINC000595038161 347265636 /nfs/dbraw/zinc/26/56/36/347265636.db2.gz KCAXIQNAKKVENG-VHSXEESVSA-N 1 0 270.304 3.002 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccoc1)CCC2 ZINC000595092889 347281440 /nfs/dbraw/zinc/28/14/40/347281440.db2.gz ZYCKMJNUKXROCQ-INIZCTEOSA-N 1 0 286.331 3.398 20 5 CGBDRO CCCN1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096818 347282448 /nfs/dbraw/zinc/28/24/48/347282448.db2.gz MLILFRNFSCCVBJ-KGLIPLIRSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000595560539 347319805 /nfs/dbraw/zinc/31/98/05/347319805.db2.gz XCVYNTLYXWCAJP-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO CC12CC(C1)C[N@@H+]2Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000595920807 347372379 /nfs/dbraw/zinc/37/23/79/347372379.db2.gz WVHAULKFOFIYCH-UHFFFAOYSA-N 1 0 299.330 3.234 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1OCc1cccc2c1CC[NH2+]C2 ZINC000596069947 347379755 /nfs/dbraw/zinc/37/97/55/347379755.db2.gz KRKPYCHERPJXMF-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000596477794 347464345 /nfs/dbraw/zinc/46/43/45/347464345.db2.gz JZURJAXWPWWWSC-LLVKDONJSA-N 1 0 295.408 3.475 20 5 CGBDRO O=[N+]([O-])c1ccsc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571552 347481066 /nfs/dbraw/zinc/48/10/66/347481066.db2.gz VSUAUUURPYOSAG-LBPRGKRZSA-N 1 0 295.408 3.190 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)O1 ZINC000597227005 347557354 /nfs/dbraw/zinc/55/73/54/347557354.db2.gz ZEZAENGJOONHEY-UMGRQFOVSA-N 1 0 290.363 3.107 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CCCOC1 ZINC000598984831 347703875 /nfs/dbraw/zinc/70/38/75/347703875.db2.gz CRUZKQLAOWTWKB-UFZAZABTSA-N 1 0 290.363 3.014 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC23CC3)c(F)c1 ZINC000599018543 347706763 /nfs/dbraw/zinc/70/67/63/347706763.db2.gz YFVZPKFYETTZIQ-GFCCVEGCSA-N 1 0 278.327 3.404 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000599054498 347711272 /nfs/dbraw/zinc/71/12/72/347711272.db2.gz ATYIWJGWDKAYLI-QWHCGFSZSA-N 1 0 278.352 3.062 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OCC ZINC000599058720 347712028 /nfs/dbraw/zinc/71/20/28/347712028.db2.gz FRQQYSSZWGCNRX-WFASDCNBSA-N 1 0 292.379 3.377 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CC=CC1 ZINC000599066715 347713320 /nfs/dbraw/zinc/71/33/20/347713320.db2.gz XWNXCVQKBKLFGF-CQSZACIVSA-N 1 0 258.321 3.138 20 5 CGBDRO C/C=C\C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599083053 347715950 /nfs/dbraw/zinc/71/59/50/347715950.db2.gz NWUKJCQJWNDBBS-PYLYLYNFSA-N 1 0 260.337 3.082 20 5 CGBDRO CCC(CC)[NH2+]CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000599097983 347716741 /nfs/dbraw/zinc/71/67/41/347716741.db2.gz PFPRLXVRELKIFH-UHFFFAOYSA-N 1 0 287.310 3.063 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000600788180 347835821 /nfs/dbraw/zinc/83/58/21/347835821.db2.gz JZXQOVOCOPLLHI-AWEZNQCLSA-N 1 0 282.343 3.414 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000601229389 347883171 /nfs/dbraw/zinc/88/31/71/347883171.db2.gz OBMSPQWVYGPEHH-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO CCC(C)(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602637233 347998568 /nfs/dbraw/zinc/99/85/68/347998568.db2.gz KJMVWXCEHXGADX-UHFFFAOYSA-N 1 0 277.324 3.262 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000602720652 348016996 /nfs/dbraw/zinc/01/69/96/348016996.db2.gz KECGNVQVQUYQJN-AOOOYVTPSA-N 1 0 286.253 3.065 20 5 CGBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602815945 348032847 /nfs/dbraw/zinc/03/28/47/348032847.db2.gz MSGHLPOFEZLXRL-OCCSQVGLSA-N 1 0 294.399 3.023 20 5 CGBDRO Cc1c(C[NH+]2C[C@H](C)C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000603836668 348097452 /nfs/dbraw/zinc/09/74/52/348097452.db2.gz XUDJZZDCRHVWLL-VXGBXAGGSA-N 1 0 262.353 3.381 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609386608 348343205 /nfs/dbraw/zinc/34/32/05/348343205.db2.gz YMZFMNZEUZGIQL-DZGCQCFKSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610390987 348380485 /nfs/dbraw/zinc/38/04/85/348380485.db2.gz GKEGYQOITGGSSL-UONOGXRCSA-N 1 0 291.395 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000609964750 348359137 /nfs/dbraw/zinc/35/91/37/348359137.db2.gz BRVSVHFJNZMOBT-GFCCVEGCSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610830956 348404990 /nfs/dbraw/zinc/40/49/90/348404990.db2.gz NIXXQMVTKVIERZ-QWHCGFSZSA-N 1 0 285.347 3.444 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000611268562 348433629 /nfs/dbraw/zinc/43/36/29/348433629.db2.gz PDFLRHPOXYDSHY-YFCVBGDOSA-N 1 0 272.348 3.482 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000611274666 348434365 /nfs/dbraw/zinc/43/43/65/348434365.db2.gz AVVMYTZVMCGOPU-UHFFFAOYSA-N 1 0 280.368 3.150 20 5 CGBDRO CO[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000611984084 348484992 /nfs/dbraw/zinc/48/49/92/348484992.db2.gz CGOOQNACXOYDFS-QZDDGCDVSA-N 1 0 290.363 3.109 20 5 CGBDRO C[NH+](C)[C@H](CNc1sccc1[N+](=O)[O-])c1ccsc1 ZINC000611411713 348447966 /nfs/dbraw/zinc/44/79/66/348447966.db2.gz VDRZOYOCDKFYFS-LLVKDONJSA-N 1 0 297.405 3.433 20 5 CGBDRO CC(C)C([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000611434170 348451832 /nfs/dbraw/zinc/45/18/32/348451832.db2.gz TXNFGAVNOJZGSS-UHFFFAOYSA-N 1 0 280.368 3.244 20 5 CGBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1F ZINC000611501827 348457078 /nfs/dbraw/zinc/45/70/78/348457078.db2.gz ISNLZLBFDPWXEN-SWLSCSKDSA-N 1 0 296.342 3.044 20 5 CGBDRO CCC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000612581346 348529754 /nfs/dbraw/zinc/52/97/54/348529754.db2.gz FHMYBFGPRBTWTI-UHFFFAOYSA-N 1 0 292.379 3.077 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccccn1 ZINC000612579535 348529825 /nfs/dbraw/zinc/52/98/25/348529825.db2.gz CJUQLVXCENPHBV-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC1=C(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000619517018 349255291 /nfs/dbraw/zinc/25/52/91/349255291.db2.gz MDPNPVRROJCCJF-UHFFFAOYSA-N 1 0 290.363 3.406 20 5 CGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000619783154 349285075 /nfs/dbraw/zinc/28/50/75/349285075.db2.gz PABWSOYPZTWVQB-LLVKDONJSA-N 1 0 292.360 3.386 20 5 CGBDRO C[C@H]1C[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271370217 191102353 /nfs/dbraw/zinc/10/23/53/191102353.db2.gz JNNYOTPDHNQGPK-HHAVJRIZSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000361931654 233759753 /nfs/dbraw/zinc/75/97/53/233759753.db2.gz XRPMVMCZJYTAIK-NEPJUHHUSA-N 1 0 274.320 3.470 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000152521269 188025295 /nfs/dbraw/zinc/02/52/95/188025295.db2.gz VMVYQELTNKNXLS-NSHDSACASA-N 1 0 266.341 3.300 20 5 CGBDRO CCOC[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154133085 188125444 /nfs/dbraw/zinc/12/54/44/188125444.db2.gz LCGGCUONOAPKRG-GFCCVEGCSA-N 1 0 298.770 3.107 20 5 CGBDRO C[NH2+]C(C)(C)CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000271748918 191305082 /nfs/dbraw/zinc/30/50/82/191305082.db2.gz UOZJRRUXDMFQDC-UHFFFAOYSA-N 1 0 291.273 3.024 20 5 CGBDRO CCSCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000273744548 192288627 /nfs/dbraw/zinc/28/86/27/192288627.db2.gz OHGDZFIOYZOSKY-UHFFFAOYSA-N 1 0 274.773 3.091 20 5 CGBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425981419 236276595 /nfs/dbraw/zinc/27/65/95/236276595.db2.gz NPYARNZGPMCWMA-WCBMZHEXSA-N 1 0 288.269 3.359 20 5 CGBDRO CCOC1(C)CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298182457 200354515 /nfs/dbraw/zinc/35/45/15/200354515.db2.gz ABZURXQPPPNPBO-UHFFFAOYSA-N 1 0 292.379 3.028 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000301520672 201042501 /nfs/dbraw/zinc/04/25/01/201042501.db2.gz LEKYSFDCPADFGF-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301594032 201086433 /nfs/dbraw/zinc/08/64/33/201086433.db2.gz RJLRVRCVFQGIMR-MNOVXSKESA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301597780 201090544 /nfs/dbraw/zinc/09/05/44/201090544.db2.gz SVCDDOPLSZQFSM-TZMCWYRMSA-N 1 0 277.368 3.188 20 5 CGBDRO CC(C)(C)CC[NH+]1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000302011674 201296547 /nfs/dbraw/zinc/29/65/47/201296547.db2.gz YZOHUCNXGDHLNR-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO C[C@@H](CCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302111941 201345422 /nfs/dbraw/zinc/34/54/22/201345422.db2.gz BCSMYKXSIIVYMS-ZDUSSCGKSA-N 1 0 277.368 3.271 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)C(F)(F)F ZINC000449257452 239273215 /nfs/dbraw/zinc/27/32/15/239273215.db2.gz LXMQCDPVCAMWAI-NXEZZACHSA-N 1 0 290.285 3.314 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N(C)CC1([NH+](C)C)CCC1 ZINC000275394791 193019800 /nfs/dbraw/zinc/01/98/00/193019800.db2.gz HEGOXJMGRSOSGQ-ZDUSSCGKSA-N 1 0 291.395 3.072 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000121066158 370826822 /nfs/dbraw/zinc/82/68/22/370826822.db2.gz VQTPDBAITFEQJX-NSHDSACASA-N 1 0 286.784 3.186 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CC(C2CCCC2)C1 ZINC000459616899 242149017 /nfs/dbraw/zinc/14/90/17/242149017.db2.gz QSKVTUGKGTZPRR-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)(C)C ZINC000463371563 242396498 /nfs/dbraw/zinc/39/64/98/242396498.db2.gz ZXUITMADNQWGMH-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000479595203 243114558 /nfs/dbraw/zinc/11/45/58/243114558.db2.gz RMBUQQBWWNJNHK-GFCCVEGCSA-N 1 0 250.342 3.461 20 5 CGBDRO CCC[C@@H]([NH2+]CCCOCC)c1cccc([N+](=O)[O-])c1 ZINC000020092321 368800564 /nfs/dbraw/zinc/80/05/64/368800564.db2.gz OOIUCADPSNYOLU-OAHLLOKOSA-N 1 0 280.368 3.452 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccco2)cc1[N+](=O)[O-] ZINC000035661494 369003826 /nfs/dbraw/zinc/00/38/26/369003826.db2.gz PZVJMTMNQYINAC-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO C[NH+](C)Cc1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000036979475 369045614 /nfs/dbraw/zinc/04/56/14/369045614.db2.gz KYIPUKDKDBCLIJ-UHFFFAOYSA-N 1 0 285.347 3.269 20 5 CGBDRO C[NH+](C)C1(CNCc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000037562540 369089010 /nfs/dbraw/zinc/08/90/10/369089010.db2.gz KGVSZFMTCVBOCP-UHFFFAOYSA-N 1 0 297.424 3.010 20 5 CGBDRO COc1cccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000037680323 369098907 /nfs/dbraw/zinc/09/89/07/369098907.db2.gz CTBPLEJLVCDRIG-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000037061705 369057076 /nfs/dbraw/zinc/05/70/76/369057076.db2.gz UMLLSAIDJQZQMG-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775688 369109649 /nfs/dbraw/zinc/10/96/49/369109649.db2.gz HWTREISNCZKUMI-RYUDHWBXSA-N 1 0 280.368 3.449 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759735 244019029 /nfs/dbraw/zinc/01/90/29/244019029.db2.gz XJJHICMWXPCVOG-OLZOCXBDSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000038079316 369143494 /nfs/dbraw/zinc/14/34/94/369143494.db2.gz CLZCWLRJHGABIZ-ZDUSSCGKSA-N 1 0 286.331 3.324 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814790 369233877 /nfs/dbraw/zinc/23/38/77/369233877.db2.gz UWNNSVHLQRNTRL-HUUCEWRRSA-N 1 0 278.352 3.205 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000502866141 244661567 /nfs/dbraw/zinc/66/15/67/244661567.db2.gz NBPSOIPDKCWVSL-PWSUYJOCSA-N 1 0 289.335 3.404 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000074318439 369874691 /nfs/dbraw/zinc/87/46/91/369874691.db2.gz FHIIVJLWIYZHGJ-NSHDSACASA-N 1 0 250.342 3.427 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093558691 370141046 /nfs/dbraw/zinc/14/10/46/370141046.db2.gz IVZWOPYNCDMKIF-LBPRGKRZSA-N 1 0 282.409 3.477 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282943553 296166133 /nfs/dbraw/zinc/16/61/33/296166133.db2.gz BKUJPVJEICSGMH-SKDRFNHKSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000132447476 371175085 /nfs/dbraw/zinc/17/50/85/371175085.db2.gz XYFMWMFFIMDVRI-DGCLKSJQSA-N 1 0 280.393 3.449 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132506810 371180155 /nfs/dbraw/zinc/18/01/55/371180155.db2.gz FQOLJFXFLKESRU-GWCFXTLKSA-N 1 0 298.433 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1CCCSC1 ZINC000135697116 371445781 /nfs/dbraw/zinc/44/57/81/371445781.db2.gz MXWHJOXMEVVWRT-NSHDSACASA-N 1 0 286.784 3.233 20 5 CGBDRO CC(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000150922564 371549529 /nfs/dbraw/zinc/54/95/29/371549529.db2.gz KTDYNKMREOJGFW-AWEZNQCLSA-N 1 0 262.353 3.162 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000336819135 213696744 /nfs/dbraw/zinc/69/67/44/213696744.db2.gz YKHHTDCJDCLUOT-HGMXIMQMSA-N 1 0 260.337 3.263 20 5 CGBDRO CC(C)COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000337331307 214011506 /nfs/dbraw/zinc/01/15/06/214011506.db2.gz HWDAAFOCBOIVDP-UHFFFAOYSA-N 1 0 294.395 3.478 20 5 CGBDRO COc1cc(C[N@H+](C)C[C@@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000344072118 217037039 /nfs/dbraw/zinc/03/70/39/217037039.db2.gz SEJIHWDZALCKJF-CYBMUJFWSA-N 1 0 290.363 3.392 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158058493 372049658 /nfs/dbraw/zinc/04/96/58/372049658.db2.gz QBMFMASGJBHMTA-SWLSCSKDSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[C@@H](N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423567092 372074747 /nfs/dbraw/zinc/07/47/47/372074747.db2.gz URLKRPTVRJMQGC-GOEBONIOSA-N 1 0 291.395 3.168 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000159581567 372157567 /nfs/dbraw/zinc/15/75/67/372157567.db2.gz YCXNBCWANFUOMZ-RYUDHWBXSA-N 1 0 280.393 3.449 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344226988 217108937 /nfs/dbraw/zinc/10/89/37/217108937.db2.gz ZWQJLWPZVIHRLO-AWEZNQCLSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@@H]([NH2+]CC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160076752 372211004 /nfs/dbraw/zinc/21/10/04/372211004.db2.gz ZRVYWQBAVWFXMF-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160104112 372212943 /nfs/dbraw/zinc/21/29/43/372212943.db2.gz JZGGQSOFKKJUEB-KBPBESRZSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000161586620 372338787 /nfs/dbraw/zinc/33/87/87/372338787.db2.gz DDTDTFHFLWIAMH-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC[C@@H](CSC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000163867977 372496624 /nfs/dbraw/zinc/49/66/24/372496624.db2.gz BBLVJEVJPORPIP-LBPRGKRZSA-N 1 0 268.382 3.134 20 5 CGBDRO CN(CCC[NH+]1CCCC1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432163243 372542155 /nfs/dbraw/zinc/54/21/55/372542155.db2.gz NNRKQDXJKCSOQE-UHFFFAOYSA-N 1 0 297.786 3.170 20 5 CGBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000171636174 372797861 /nfs/dbraw/zinc/79/78/61/372797861.db2.gz FPHAQQOYPSOJRK-UHFFFAOYSA-N 1 0 278.327 3.354 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000295861639 372939504 /nfs/dbraw/zinc/93/95/04/372939504.db2.gz BOZMLUUVKWRIMU-FZMZJTMJSA-N 1 0 278.352 3.121 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000441248713 373000031 /nfs/dbraw/zinc/00/00/31/373000031.db2.gz NIHWEZZDTUNPLG-WHOFXGATSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000173457997 373145023 /nfs/dbraw/zinc/14/50/23/373145023.db2.gz MBAAQTXHIRPSFN-RISCZKNCSA-N 1 0 280.368 3.307 20 5 CGBDRO CC[C@H](O)CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344894912 217347440 /nfs/dbraw/zinc/34/74/40/217347440.db2.gz YQEVCOXDWRMPCF-ISBHARSQSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000175715957 373507393 /nfs/dbraw/zinc/50/73/93/373507393.db2.gz UEJCIENOLHNBRC-CQSZACIVSA-N 1 0 259.309 3.164 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000300645379 373638189 /nfs/dbraw/zinc/63/81/89/373638189.db2.gz PARUQISTZPKCMO-OLZOCXBDSA-N 1 0 298.770 3.151 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CC(C)(C)O ZINC000449454217 373737644 /nfs/dbraw/zinc/73/76/44/373737644.db2.gz YTZISGBPPKMMIW-FSBNRTBOSA-N 1 0 292.379 3.137 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449521980 373819677 /nfs/dbraw/zinc/81/96/77/373819677.db2.gz JSVPMGNFXHGIPG-GDBMZVCRSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449524735 373824072 /nfs/dbraw/zinc/82/40/72/373824072.db2.gz PKGXFWXNDZGTLE-CQSZACIVSA-N 1 0 299.374 3.409 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000308715860 374175629 /nfs/dbraw/zinc/17/56/29/374175629.db2.gz BCWAZRADCZOAGP-GFCCVEGCSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919681 374228970 /nfs/dbraw/zinc/22/89/70/374228970.db2.gz GYZCOMYKDBSCPO-SNVBAGLBSA-N 1 0 254.305 3.212 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000313498997 374301917 /nfs/dbraw/zinc/30/19/17/374301917.db2.gz IUDILZQUEGMUAJ-DOMZBBRYSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)c1ccc([N+](=O)[O-])cc1 ZINC000314401698 374317398 /nfs/dbraw/zinc/31/73/98/374317398.db2.gz FBDHXAVXPCIPJT-MJBXVCDLSA-N 1 0 292.379 3.044 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000453257070 374375064 /nfs/dbraw/zinc/37/50/64/374375064.db2.gz UQXNWYXFHRDTKS-PWQPVHBWSA-N 1 0 266.316 3.444 20 5 CGBDRO Cc1occc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320939443 374352615 /nfs/dbraw/zinc/35/26/15/374352615.db2.gz COGWRLBRKAZGPW-JTQLQIEISA-N 1 0 260.293 3.347 20 5 CGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCc1ccncc1 ZINC000183760130 374453969 /nfs/dbraw/zinc/45/39/69/374453969.db2.gz KKYRWHZIPOSGOE-GQCTYLIASA-N 1 0 297.358 3.178 20 5 CGBDRO COc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184235342 374505447 /nfs/dbraw/zinc/50/54/47/374505447.db2.gz PBJNEBMNCUFUJU-UWVGGRQHSA-N 1 0 282.315 3.115 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000187164125 374982108 /nfs/dbraw/zinc/98/21/08/374982108.db2.gz VADIUMMNHXUVEJ-LBPRGKRZSA-N 1 0 294.420 3.259 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H]2CCSC2)cc1 ZINC000487314117 375226268 /nfs/dbraw/zinc/22/62/68/375226268.db2.gz CFXJNKCRMIKKHR-AWEZNQCLSA-N 1 0 294.420 3.260 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H]2CCSC2)cc1 ZINC000487314118 375226888 /nfs/dbraw/zinc/22/68/88/375226888.db2.gz CFXJNKCRMIKKHR-CQSZACIVSA-N 1 0 294.420 3.260 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@H](C)CC1 ZINC000190698858 375531982 /nfs/dbraw/zinc/53/19/82/375531982.db2.gz SDCOCRBUERIDSK-GFCCVEGCSA-N 1 0 280.393 3.231 20 5 CGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000520420559 375854413 /nfs/dbraw/zinc/85/44/13/375854413.db2.gz KMFUFGVDQPPWSI-UHFFFAOYSA-N 1 0 291.395 3.296 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193325058 375860073 /nfs/dbraw/zinc/86/00/73/375860073.db2.gz FEYRZLKDKBIOAP-OAHLLOKOSA-N 1 0 292.379 3.377 20 5 CGBDRO CSC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193815929 375926133 /nfs/dbraw/zinc/92/61/33/375926133.db2.gz KNLBFVGZDFECBJ-AWEZNQCLSA-N 1 0 292.404 3.457 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C2(C3CC3)CC2)cccc1[N+](=O)[O-] ZINC000538553525 376248569 /nfs/dbraw/zinc/24/85/69/376248569.db2.gz HNDYGHIXTTUCHS-NSHDSACASA-N 1 0 260.337 3.496 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223501725 376255591 /nfs/dbraw/zinc/25/55/91/376255591.db2.gz ZGKXLQVJOSEPBH-WFASDCNBSA-N 1 0 280.368 3.105 20 5 CGBDRO COC(C)(C)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538709284 376259023 /nfs/dbraw/zinc/25/90/23/376259023.db2.gz BQFUFXVDEAFYCK-GFCCVEGCSA-N 1 0 280.368 3.321 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956022 376281777 /nfs/dbraw/zinc/28/17/77/376281777.db2.gz HGRWLWMWSYTXGY-TZMCWYRMSA-N 1 0 262.353 3.400 20 5 CGBDRO CC1=CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000538727416 376263230 /nfs/dbraw/zinc/26/32/30/376263230.db2.gz PKLYSGINLWTHPB-GQCTYLIASA-N 1 0 258.321 3.260 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCS[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000539829394 376337274 /nfs/dbraw/zinc/33/72/74/376337274.db2.gz QYCJKCAVSSGXSQ-OAHLLOKOSA-N 1 0 294.420 3.477 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056575 376355694 /nfs/dbraw/zinc/35/56/94/376355694.db2.gz SZJXOVYFJRTQLM-QWHCGFSZSA-N 1 0 278.352 3.237 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000228579080 376442226 /nfs/dbraw/zinc/44/22/26/376442226.db2.gz CYFMGLNQUDBIOD-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000229327753 376462447 /nfs/dbraw/zinc/46/24/47/376462447.db2.gz PGLWEHJPXCBJFK-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230409390 376514384 /nfs/dbraw/zinc/51/43/84/376514384.db2.gz YJMLBAPMETVGQX-XJKSGUPXSA-N 1 0 292.379 3.452 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000233356240 376597836 /nfs/dbraw/zinc/59/78/36/376597836.db2.gz CXVQYTUTPOMRHS-WQVCFCJDSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000542703774 376569604 /nfs/dbraw/zinc/56/96/04/376569604.db2.gz WIMYVZDQPCSXDP-RYUDHWBXSA-N 1 0 280.393 3.229 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000231884279 376574754 /nfs/dbraw/zinc/57/47/54/376574754.db2.gz QFOWECWXCJSKBY-GOEBONIOSA-N 1 0 292.379 3.196 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000339004464 376623749 /nfs/dbraw/zinc/62/37/49/376623749.db2.gz WVVBUFXMFPLKCC-STQMWFEESA-N 1 0 277.368 3.270 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000339676475 376804007 /nfs/dbraw/zinc/80/40/07/376804007.db2.gz UKNUEXQXDXLNDG-AWEZNQCLSA-N 1 0 260.337 3.217 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H](C)F ZINC000559895342 377105287 /nfs/dbraw/zinc/10/52/87/377105287.db2.gz YJDMTZJRJXMSNM-WDEREUQCSA-N 1 0 254.305 3.302 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000562058466 377270603 /nfs/dbraw/zinc/27/06/03/377270603.db2.gz DMKSGFDHNRPCIS-MIMYLULJSA-N 1 0 270.279 3.207 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000341125308 377409020 /nfs/dbraw/zinc/40/90/20/377409020.db2.gz QCAHZOBFYRKSGX-ZDUSSCGKSA-N 1 0 294.399 3.139 20 5 CGBDRO CC[C@@H](C)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478261631 249169026 /nfs/dbraw/zinc/16/90/26/249169026.db2.gz YDBHCVUWSUKIOJ-SNVBAGLBSA-N 1 0 270.760 3.426 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000515340781 249209083 /nfs/dbraw/zinc/20/90/83/249209083.db2.gz DSNZYOJSQCQTRW-RYUDHWBXSA-N 1 0 280.393 3.307 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCF)CCCC2 ZINC000519118021 249293210 /nfs/dbraw/zinc/29/32/10/249293210.db2.gz XZLWUPVEBFLSKS-AWEZNQCLSA-N 1 0 266.316 3.312 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000251847014 377600463 /nfs/dbraw/zinc/60/04/63/377600463.db2.gz NFWFEBXXXAYAKT-ZIEJDFEHSA-N 1 0 290.363 3.121 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCOC1CCCC1 ZINC000574100247 377620363 /nfs/dbraw/zinc/62/03/63/377620363.db2.gz OJVCDDLLTJNJQK-HNNXBMFYSA-N 1 0 290.363 3.131 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000578215744 378047446 /nfs/dbraw/zinc/04/74/46/378047446.db2.gz IJPKWBIKHQHQPM-FDRIWYBQSA-N 1 0 292.379 3.305 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000271944601 378525525 /nfs/dbraw/zinc/52/55/25/378525525.db2.gz WPPMIXIHYQQIPS-SLEUVZQESA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000272518047 378655904 /nfs/dbraw/zinc/65/59/04/378655904.db2.gz KYMVUSYYLVLNKS-DVOMOZLQSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000275147816 378944377 /nfs/dbraw/zinc/94/43/77/378944377.db2.gz VBCOZEANRBIGQI-WOSRLPQWSA-N 1 0 292.379 3.105 20 5 CGBDRO CCN(CCC[NH+](CC)CC)Cc1csc([N+](=O)[O-])c1 ZINC000349347819 379242574 /nfs/dbraw/zinc/24/25/74/379242574.db2.gz MLEXJYZCOFLFDC-UHFFFAOYSA-N 1 0 299.440 3.210 20 5 CGBDRO CCN(CCC[NH+](CC)CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000349379179 379257693 /nfs/dbraw/zinc/25/76/93/379257693.db2.gz ARXFXUJBDGDWLJ-UHFFFAOYSA-N 1 0 293.411 3.149 20 5 CGBDRO COCCSCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000278905195 194206182 /nfs/dbraw/zinc/20/61/82/194206182.db2.gz SCTIHXCIPNLILI-LBPRGKRZSA-N 1 0 298.408 3.015 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CCCCCO)c2cc([N+](=O)[O-])ccc21 ZINC000280090449 379602535 /nfs/dbraw/zinc/60/25/35/379602535.db2.gz NOETZKHLEIKWJT-OAHLLOKOSA-N 1 0 292.379 3.069 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000280239248 379649918 /nfs/dbraw/zinc/64/99/18/379649918.db2.gz VXTZHSGCMUBUSM-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352403530 379796985 /nfs/dbraw/zinc/79/69/85/379796985.db2.gz VWZYOINVNATMSQ-ISVAXAHUSA-N 1 0 270.279 3.151 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785242 379958087 /nfs/dbraw/zinc/95/80/87/379958087.db2.gz VPXQLLVCRZKLLO-WCQYABFASA-N 1 0 278.352 3.366 20 5 CGBDRO CC(C)SCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000283121462 380037108 /nfs/dbraw/zinc/03/71/08/380037108.db2.gz MZJCGTUZAFWCBN-LLVKDONJSA-N 1 0 268.382 3.387 20 5 CGBDRO CC[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000353154907 380142269 /nfs/dbraw/zinc/14/22/69/380142269.db2.gz PZPMBTXNZPOISI-JQVXPOPVSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000353154906 380143379 /nfs/dbraw/zinc/14/33/79/380143379.db2.gz PZPMBTXNZPOISI-INDWDQIESA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2n[nH]cc2c1 ZINC000353110382 380119916 /nfs/dbraw/zinc/11/99/16/380119916.db2.gz LRWVIBFVSJLZOS-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO Cc1cc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)on1 ZINC000353979536 380262004 /nfs/dbraw/zinc/26/20/04/380262004.db2.gz RNDOTRCGAKXBJE-GFCCVEGCSA-N 1 0 289.335 3.093 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311683 380589509 /nfs/dbraw/zinc/58/95/09/380589509.db2.gz MHZUVNZZQRYWBX-ZBFHGGJFSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000357041280 381006620 /nfs/dbraw/zinc/00/66/20/381006620.db2.gz QQSBYPXZWHCODJ-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000357342901 381116651 /nfs/dbraw/zinc/11/66/51/381116651.db2.gz FBTPEOKUEJVXPO-GOEBONIOSA-N 1 0 292.379 3.196 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000411942832 533006433 /nfs/dbraw/zinc/00/64/33/533006433.db2.gz IIYKWJZSQPYFDP-BMIGLBTASA-N 1 0 296.342 3.027 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H](C)OC ZINC000361566150 285100250 /nfs/dbraw/zinc/10/02/50/285100250.db2.gz RWEOLVGIQCYLSE-SNVBAGLBSA-N 1 0 286.759 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3cccnc3CC2)cc1 ZINC000421841484 285115705 /nfs/dbraw/zinc/11/57/05/285115705.db2.gz IYWCDOFTZQTWFF-HNNXBMFYSA-N 1 0 297.358 3.027 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414202469 285158207 /nfs/dbraw/zinc/15/82/07/285158207.db2.gz MVLLSBLUGHCOQM-BLLLJJGKSA-N 1 0 292.379 3.234 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CCC1 ZINC000271432265 285162016 /nfs/dbraw/zinc/16/20/16/285162016.db2.gz DZXUATGYDMJZHU-DOMZBBRYSA-N 1 0 274.364 3.448 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280789 533136344 /nfs/dbraw/zinc/13/63/44/533136344.db2.gz VOQOOUUKCQJWRQ-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1ncsc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000283085898 195788260 /nfs/dbraw/zinc/78/82/60/195788260.db2.gz RQQHTPGRZLWPFU-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO COc1ccc(C[N@H+]([C@@H](C)C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000047908996 391991222 /nfs/dbraw/zinc/99/12/22/391991222.db2.gz IHAXLFOIHUJBDH-NSHDSACASA-N 1 0 290.363 3.366 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCCCO)CCC2 ZINC000193070398 130579478 /nfs/dbraw/zinc/57/94/78/130579478.db2.gz QCSDJNNOLSAYHX-MRXNPFEDSA-N 1 0 292.379 3.115 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000223515133 130794908 /nfs/dbraw/zinc/79/49/08/130794908.db2.gz JKWLPFLQZDSFHR-GJZGRUSLSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000226384135 130826377 /nfs/dbraw/zinc/82/63/77/130826377.db2.gz UTUDVFFNLWFBRA-RYUDHWBXSA-N 1 0 280.393 3.307 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772500 392320214 /nfs/dbraw/zinc/32/02/14/392320214.db2.gz NFQOKFXLVJVZPG-FPMFFAJLSA-N 1 0 291.395 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCC(C(F)F)CC2)cc1 ZINC000361689023 392295485 /nfs/dbraw/zinc/29/54/85/392295485.db2.gz DYRROLDVKKWJPO-UHFFFAOYSA-N 1 0 284.306 3.114 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000361964528 392375385 /nfs/dbraw/zinc/37/53/85/392375385.db2.gz AHQARTUUKUQOGQ-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000124807453 392437083 /nfs/dbraw/zinc/43/70/83/392437083.db2.gz UHZJUMZMILBMQT-BJKJVOPESA-N 1 0 290.363 3.203 20 5 CGBDRO CCSCC[C@@H](C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000135292109 392474020 /nfs/dbraw/zinc/47/40/20/392474020.db2.gz JEDIGJYQAZONOB-SECBINFHSA-N 1 0 274.411 3.278 20 5 CGBDRO CC(C)[C@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505636736 392684313 /nfs/dbraw/zinc/68/43/13/392684313.db2.gz MGCJWYBIMJTZEO-JTQLQIEISA-N 1 0 254.305 3.210 20 5 CGBDRO CCC[C@H](C)N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277357 392742146 /nfs/dbraw/zinc/74/21/46/392742146.db2.gz AVVGEUIGFCLVJW-VIFPVBQESA-N 1 0 272.295 3.493 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CCOC(C)C)cc1[N+](=O)[O-] ZINC000186635806 392784738 /nfs/dbraw/zinc/78/47/38/392784738.db2.gz FDLTYKMYXHHFMD-GFCCVEGCSA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000525275114 392937937 /nfs/dbraw/zinc/93/79/37/392937937.db2.gz JYMQABNGUIKVOA-IJLUTSLNSA-N 1 0 280.393 3.482 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271826751 393255101 /nfs/dbraw/zinc/25/51/01/393255101.db2.gz SZBBMZBAKFVBGH-RYUDHWBXSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@H](O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163679 393333033 /nfs/dbraw/zinc/33/30/33/393333033.db2.gz UGBZOOHSSUPLKV-WFASDCNBSA-N 1 0 292.379 3.068 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCSC2)C2CC2)c1 ZINC000278425978 393320649 /nfs/dbraw/zinc/32/06/49/393320649.db2.gz JGKWKNGVDRWPQW-CYBMUJFWSA-N 1 0 292.404 3.312 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)c1 ZINC000356270446 393402557 /nfs/dbraw/zinc/40/25/57/393402557.db2.gz AKMXMFPEHHPZAX-OAHLLOKOSA-N 1 0 272.348 3.359 20 5 CGBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156372 393378892 /nfs/dbraw/zinc/37/88/92/393378892.db2.gz WOEDGADRASHLRR-AGIUHOORSA-N 1 0 262.353 3.461 20 5 CGBDRO CC[C@@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420260073 393444961 /nfs/dbraw/zinc/44/49/61/393444961.db2.gz IHYULTCSGMXXNJ-MRVPVSSYSA-N 1 0 291.273 3.071 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000429554218 393476830 /nfs/dbraw/zinc/47/68/30/393476830.db2.gz ARYBLNAMHDOWQE-JSGCOSHPSA-N 1 0 278.352 3.094 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442334 393514186 /nfs/dbraw/zinc/51/41/86/393514186.db2.gz ULSLTPIGLOZSHD-ZFWWWQNUSA-N 1 0 294.420 3.257 20 5 CGBDRO C[C@H]1C[C@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000488451487 393519895 /nfs/dbraw/zinc/51/98/95/393519895.db2.gz VEIQHMZASBFBBK-JSGCOSHPSA-N 1 0 262.353 3.163 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000430234727 393545941 /nfs/dbraw/zinc/54/59/41/393545941.db2.gz BDAWKLUPYGNNKI-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430210691 393539638 /nfs/dbraw/zinc/53/96/38/393539638.db2.gz VDAHKJDVPNNGOL-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421044224 393586745 /nfs/dbraw/zinc/58/67/45/393586745.db2.gz SBROKNZNCAVUII-KGLIPLIRSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCCCF)cccc1[N+](=O)[O-] ZINC000361002026 393635886 /nfs/dbraw/zinc/63/58/86/393635886.db2.gz HXGFZXIGIZAQLI-LLVKDONJSA-N 1 0 254.305 3.304 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCOCC2CCC2)cc1[N+](=O)[O-] ZINC000361024945 393647540 /nfs/dbraw/zinc/64/75/40/393647540.db2.gz GNANPWBXHFVGGY-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])c2nccn21 ZINC000449576067 393910793 /nfs/dbraw/zinc/91/07/93/393910793.db2.gz ZOENGGXRMPMSPC-HRLNJXSSSA-N 1 0 298.346 3.100 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](C3CC3)[C@H]2C2CC2)c(F)c1 ZINC000449531645 393885323 /nfs/dbraw/zinc/88/53/23/393885323.db2.gz BYIYLSHUHCZUEW-GDBMZVCRSA-N 1 0 290.338 3.354 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726395 286960775 /nfs/dbraw/zinc/96/07/75/286960775.db2.gz UGXRCIKQUPANDA-RYUDHWBXSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H](N[C@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266057 287064597 /nfs/dbraw/zinc/06/45/97/287064597.db2.gz RSRPNZBHMRCHRD-MLGOLLRUSA-N 1 0 291.395 3.153 20 5 CGBDRO COc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000066531893 165036963 /nfs/dbraw/zinc/03/69/63/165036963.db2.gz BJNGTQMCBFYNLE-TXEJJXNPSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000091099618 165258364 /nfs/dbraw/zinc/25/83/64/165258364.db2.gz KBSFZFLIARYLBR-LBPRGKRZSA-N 1 0 268.382 3.168 20 5 CGBDRO CC[C@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797215 165392570 /nfs/dbraw/zinc/39/25/70/165392570.db2.gz KIUDTPPVZCOAFZ-LSDHHAIUSA-N 1 0 278.352 3.205 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)cc1 ZINC000111398772 287134575 /nfs/dbraw/zinc/13/45/75/287134575.db2.gz IGMLEYILJLEMDO-WBVHZDCISA-N 1 0 282.343 3.488 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000119876425 287175023 /nfs/dbraw/zinc/17/50/23/287175023.db2.gz DCQGILMJPRVKHB-JSGCOSHPSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[NH+](CC)CCS/C=C/c1ccc([N+](=O)[O-])o1 ZINC000284366647 196040034 /nfs/dbraw/zinc/04/00/34/196040034.db2.gz XCELNSFEODKRLN-VQHVLOKHSA-N 1 0 270.354 3.234 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000020141369 171027484 /nfs/dbraw/zinc/02/74/84/171027484.db2.gz XFZHMSNYHCBBMH-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CC(C)OCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020198379 171062509 /nfs/dbraw/zinc/06/25/09/171062509.db2.gz QVSBFLAQPOPJIG-GFCCVEGCSA-N 1 0 266.341 3.061 20 5 CGBDRO CC(C)OCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020198378 171062736 /nfs/dbraw/zinc/06/27/36/171062736.db2.gz QVSBFLAQPOPJIG-LBPRGKRZSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc(F)c2)cc1 ZINC000020473318 171217287 /nfs/dbraw/zinc/21/72/87/171217287.db2.gz AQCZJLOGRCWXLN-UHFFFAOYSA-N 1 0 260.268 3.024 20 5 CGBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000020474741 171218566 /nfs/dbraw/zinc/21/85/66/171218566.db2.gz MZAWPXPICNQOPP-UHFFFAOYSA-N 1 0 283.347 3.265 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000021040959 171293431 /nfs/dbraw/zinc/29/34/31/171293431.db2.gz GZVFBNMBVKQULT-ZDUSSCGKSA-N 1 0 277.368 3.271 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000284859738 196146195 /nfs/dbraw/zinc/14/61/95/196146195.db2.gz DCNMLJZFQGSBEG-HOTGVXAUSA-N 1 0 290.363 3.047 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000038028723 174017350 /nfs/dbraw/zinc/01/73/50/174017350.db2.gz PTSWCXWVMDIQSX-ZIAGYGMSSA-N 1 0 291.395 3.120 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000040506674 174302410 /nfs/dbraw/zinc/30/24/10/174302410.db2.gz KOAOERZQMPNEMH-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO C[C@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000077655704 177291347 /nfs/dbraw/zinc/29/13/47/177291347.db2.gz PJWPIJFWLWBBKT-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC2)c(Cl)c1 ZINC000049963321 416476942 /nfs/dbraw/zinc/47/69/42/416476942.db2.gz NOZMEVAIMWNLTE-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccnc1 ZINC000133499018 287424068 /nfs/dbraw/zinc/42/40/68/287424068.db2.gz PJJVXAZNMYTDKK-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186320283 287556983 /nfs/dbraw/zinc/55/69/83/287556983.db2.gz NJHZFHYMXHRTOF-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(F)(F)CCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000390050740 262091569 /nfs/dbraw/zinc/09/15/69/262091569.db2.gz HRDVUHQJFIFZAF-UHFFFAOYSA-N 1 0 258.268 3.120 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000045630152 270038521 /nfs/dbraw/zinc/03/85/21/270038521.db2.gz FBRSJNMQOUBGNL-CYBMUJFWSA-N 1 0 260.337 3.349 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691550 270038902 /nfs/dbraw/zinc/03/89/02/270038902.db2.gz VZVOBGQBHCLZFB-KBPBESRZSA-N 1 0 293.411 3.284 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000232612089 287645958 /nfs/dbraw/zinc/64/59/58/287645958.db2.gz YVSUUTVMSBOIFC-UHFFFAOYSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000521479357 270101919 /nfs/dbraw/zinc/10/19/19/270101919.db2.gz WVBNEAQWXXMANF-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO CC(C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525308728 270119345 /nfs/dbraw/zinc/11/93/45/270119345.db2.gz VOVDBXZGGWSYTJ-CQSZACIVSA-N 1 0 262.353 3.463 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000237272292 287654676 /nfs/dbraw/zinc/65/46/76/287654676.db2.gz OZOKEWVAYJBNRU-GOEBONIOSA-N 1 0 292.379 3.196 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000042123169 274205459 /nfs/dbraw/zinc/20/54/59/274205459.db2.gz SYIKWVIAIXLJCH-NSHDSACASA-N 1 0 260.337 3.358 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])[C@@H]1C ZINC000493312796 274302598 /nfs/dbraw/zinc/30/25/98/274302598.db2.gz ZVTVZAGSCOHCFQ-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278789382 274394139 /nfs/dbraw/zinc/39/41/39/274394139.db2.gz QGHQQPDIRSAGPY-FFSVYQOJSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1ccccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000061014195 274806491 /nfs/dbraw/zinc/80/64/91/274806491.db2.gz QMXHRZQKSZOFQL-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000449635782 276599221 /nfs/dbraw/zinc/59/92/21/276599221.db2.gz CFGPZQIASBKXNP-YQOCHDBPSA-N 1 0 292.379 3.137 20 5 CGBDRO C[NH+](C)CCCC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000270996220 276758916 /nfs/dbraw/zinc/75/89/16/276758916.db2.gz VJCAAXHZKAAOQZ-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453247849 277237888 /nfs/dbraw/zinc/23/78/88/277237888.db2.gz PCIXSYFLRKAETI-DUVNUKRYSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCC23CCC3)cc1 ZINC000394875417 288004524 /nfs/dbraw/zinc/00/45/24/288004524.db2.gz WFPYXMRPEDAFTL-HNNXBMFYSA-N 1 0 274.364 3.450 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000414285480 278355896 /nfs/dbraw/zinc/35/58/96/278355896.db2.gz RSQDMOCDTITCLC-HKUMRIAESA-N 1 0 278.352 3.059 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000515388672 279350455 /nfs/dbraw/zinc/35/04/55/279350455.db2.gz GEJDVFGZGKFLNH-LDYMZIIASA-N 1 0 288.269 3.370 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159238010 279488680 /nfs/dbraw/zinc/48/86/80/279488680.db2.gz DRQULGRELYFJRA-RCBQFDQVSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423017001 279525721 /nfs/dbraw/zinc/52/57/21/279525721.db2.gz NTPAFOGNHKOGKX-IUIKQTSFSA-N 1 0 297.358 3.390 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000341894348 280952557 /nfs/dbraw/zinc/95/25/57/280952557.db2.gz ZZZDSWRURZUCEC-OBJOEFQTSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cccc(N[C@@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000218835233 281247671 /nfs/dbraw/zinc/24/76/71/281247671.db2.gz HYBHDESNQCBOBB-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO COCC(C)(C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562626546 289720211 /nfs/dbraw/zinc/72/02/11/289720211.db2.gz BDPOVJAFJWBAPG-GFCCVEGCSA-N 1 0 280.368 3.226 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000411956402 294090038 /nfs/dbraw/zinc/09/00/38/294090038.db2.gz VKCCZJNQEREXSR-BMIGLBTASA-N 1 0 296.342 3.027 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000388777308 328301602 /nfs/dbraw/zinc/30/16/02/328301602.db2.gz INLCDCCJJJPSMS-IUODEOHRSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccco1 ZINC000155970017 321772343 /nfs/dbraw/zinc/77/23/43/321772343.db2.gz SLQBOCGZGIGNEJ-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000162220458 321879685 /nfs/dbraw/zinc/87/96/85/321879685.db2.gz SZTYRNLPCCAFIR-BLLLJJGKSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163817993 321898274 /nfs/dbraw/zinc/89/82/74/321898274.db2.gz DUVWBOXLBHCSQO-HEHGZKQESA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CS1 ZINC000566475607 322124873 /nfs/dbraw/zinc/12/48/73/322124873.db2.gz NGRZZBLAJJDTQK-NRUUGDAUSA-N 1 0 278.377 3.066 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000567207241 322154120 /nfs/dbraw/zinc/15/41/20/322154120.db2.gz AJDCBFDMWANCHA-WBMJQRKESA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1cccnc1C(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000568332789 322204911 /nfs/dbraw/zinc/20/49/11/322204911.db2.gz RMPQMAYGPSKKNZ-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO CCCC[N@H+](CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000571541387 322301388 /nfs/dbraw/zinc/30/13/88/322301388.db2.gz HPEHZTAQYJOAEU-UHFFFAOYSA-N 1 0 294.399 3.226 20 5 CGBDRO CCOC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000232349966 333336103 /nfs/dbraw/zinc/33/61/03/333336103.db2.gz HHPYJLPNBWHXIN-TZMCWYRMSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000421384130 533729827 /nfs/dbraw/zinc/72/98/27/533729827.db2.gz OEGBHMYKCXMYRP-GFCCVEGCSA-N 1 0 299.374 3.327 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)C(F)(F)F ZINC000449257453 534254282 /nfs/dbraw/zinc/25/42/82/534254282.db2.gz LXMQCDPVCAMWAI-UWVGGRQHSA-N 1 0 290.285 3.314 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774865 521304574 /nfs/dbraw/zinc/30/45/74/521304574.db2.gz XNSTXNLKYCJVQG-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO CO[C@@]1(C)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000279249752 523807681 /nfs/dbraw/zinc/80/76/81/523807681.db2.gz HAJUOXPINIGOKJ-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000292802331 525708352 /nfs/dbraw/zinc/70/83/52/525708352.db2.gz NSOSFCUPLVFYGM-AWEZNQCLSA-N 1 0 294.420 3.478 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441205349 534886991 /nfs/dbraw/zinc/88/69/91/534886991.db2.gz OHWMNRLHGHJCSY-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC(C)COCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449068299 528095751 /nfs/dbraw/zinc/09/57/51/528095751.db2.gz RRNJJFFSAMOOHN-CQSZACIVSA-N 1 0 294.395 3.178 20 5 CGBDRO CC1=CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000436266376 528104294 /nfs/dbraw/zinc/10/42/94/528104294.db2.gz ORLSYPBIVFSNTL-UHFFFAOYSA-N 1 0 276.336 3.016 20 5 CGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CCC1CC1 ZINC000355064867 528573536 /nfs/dbraw/zinc/57/35/36/528573536.db2.gz LRRKXCDRPCLMHJ-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC(C)n1cncc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000424171776 528626924 /nfs/dbraw/zinc/62/69/24/528626924.db2.gz JLLBQBMNJIIBNL-LBPRGKRZSA-N 1 0 288.351 3.223 20 5 CGBDRO CCC[C@@H](NC[C@@H](C)[NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000423389543 529009864 /nfs/dbraw/zinc/00/98/64/529009864.db2.gz VCQILOASIUUJIA-IUODEOHRSA-N 1 0 279.384 3.024 20 5 CGBDRO CC[C@@H]([NH2+]CC1(CCO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000358297828 529157438 /nfs/dbraw/zinc/15/74/38/529157438.db2.gz LGGRLJZVJZUVCO-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000449214741 529169793 /nfs/dbraw/zinc/16/97/93/529169793.db2.gz ZBCFZAKDAHCGRZ-OAHLLOKOSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000354678206 529317141 /nfs/dbraw/zinc/31/71/41/529317141.db2.gz PJHDIIFDAKNDDI-SNVBAGLBSA-N 1 0 276.258 3.415 20 5 CGBDRO CCCC[N@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000514172711 535224947 /nfs/dbraw/zinc/22/49/47/535224947.db2.gz RXQAZHJORBIJQF-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000499955342 535478123 /nfs/dbraw/zinc/47/81/23/535478123.db2.gz LGFCBOGNJKJIBE-UHFFFAOYSA-N 1 0 285.347 3.472 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459742411 535947169 /nfs/dbraw/zinc/94/71/69/535947169.db2.gz OBPMHANZYNOZPW-BJJXKVORSA-N 1 0 292.379 3.073 20 5 CGBDRO CC(C)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746662761 572889097 /nfs/dbraw/zinc/88/90/97/572889097.db2.gz ISRHNCWFHJAZNE-UHFFFAOYSA-N 1 0 256.733 3.336 20 5 CGBDRO CSCCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000134913784 617794267 /nfs/dbraw/zinc/79/42/67/617794267.db2.gz AVCNXXCUAZGIBG-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)C ZINC000051740755 618635190 /nfs/dbraw/zinc/63/51/90/618635190.db2.gz ZFHJJKPBQVCECY-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)[N@H+](C)C1CC1 ZINC000220103340 619093366 /nfs/dbraw/zinc/09/33/66/619093366.db2.gz SBDJURVLMIEGND-VIFPVBQESA-N 1 0 299.321 3.427 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989649 619242462 /nfs/dbraw/zinc/24/24/62/619242462.db2.gz BYEUSPATOBLUIY-SNVBAGLBSA-N 1 0 268.744 3.384 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H](CF)C1 ZINC000895546887 619848809 /nfs/dbraw/zinc/84/88/09/619848809.db2.gz XEWHUNGVPMNRFY-IRBQFCFKSA-N 1 0 278.327 3.290 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572060 619851248 /nfs/dbraw/zinc/85/12/48/619851248.db2.gz DYZHANRUUJEDOZ-GMMCIKNFSA-N 1 0 278.327 3.290 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463217 620339867 /nfs/dbraw/zinc/33/98/67/620339867.db2.gz CGSOQFFVOBJOHR-QWHCGFSZSA-N 1 0 280.368 3.101 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CSC[C@@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464034 620340499 /nfs/dbraw/zinc/34/04/99/620340499.db2.gz JTUIANOJWYPPCM-MDZLAQPJSA-N 1 0 280.393 3.039 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000897465851 620340568 /nfs/dbraw/zinc/34/05/68/620340568.db2.gz JGDCRODTHYQCEY-LBPRGKRZSA-N 1 0 285.347 3.192 20 5 CGBDRO CCCCC1([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000897936340 620452113 /nfs/dbraw/zinc/45/21/13/620452113.db2.gz TWDHIBKHWJLCRT-UHFFFAOYSA-N 1 0 294.351 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)c(F)c1 ZINC000897954616 620454887 /nfs/dbraw/zinc/45/48/87/620454887.db2.gz IDDKNTKZRSSOHJ-LJWDBELGSA-N 1 0 264.300 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC/C=C\Cl)c1 ZINC000898435982 620588151 /nfs/dbraw/zinc/58/81/51/620588151.db2.gz OWHNKTPXNFVYKH-RJRFIUFISA-N 1 0 292.669 3.038 20 5 CGBDRO CC1CC[NH+](Cc2cc(-c3ccc([N+](=O)[O-])o3)no2)CC1 ZINC000901399338 620875875 /nfs/dbraw/zinc/87/58/75/620875875.db2.gz SINFUIDFIAKRMH-UHFFFAOYSA-N 1 0 291.307 3.075 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903072612 621570581 /nfs/dbraw/zinc/57/05/81/621570581.db2.gz KMQXPGOCXNWYER-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CSC)cc([N+](=O)[O-])c1 ZINC000903098460 621571710 /nfs/dbraw/zinc/57/17/10/621571710.db2.gz PESVVRGPTFWIIO-NXEZZACHSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCc2ccoc2)cc([N+](=O)[O-])c1 ZINC000903199976 621624213 /nfs/dbraw/zinc/62/42/13/621624213.db2.gz JEZYBGIJXNAMII-LLVKDONJSA-N 1 0 290.319 3.090 20 5 CGBDRO C[C@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903245455 621636981 /nfs/dbraw/zinc/63/69/81/621636981.db2.gz MFMILACIKGGPCI-LLVKDONJSA-N 1 0 274.364 3.477 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ncco1)c1ccccc1[N+](=O)[O-] ZINC000903245864 621637800 /nfs/dbraw/zinc/63/78/00/621637800.db2.gz PJKBVLSIGJJPPH-MNOVXSKESA-N 1 0 275.308 3.037 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000903245721 621637966 /nfs/dbraw/zinc/63/79/66/621637966.db2.gz ONUNGWATZJWLAX-IPYPFGDCSA-N 1 0 292.379 3.103 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903286519 621669742 /nfs/dbraw/zinc/66/97/42/621669742.db2.gz AOHBSWYVZYGMGH-VXGBXAGGSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000903287947 621670739 /nfs/dbraw/zinc/67/07/39/621670739.db2.gz UIUVQRAYMSNEHC-UXIGCNINSA-N 1 0 278.352 3.061 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C/C=C/Cl)cc1[N+](=O)[O-] ZINC000903444325 621755746 /nfs/dbraw/zinc/75/57/46/621755746.db2.gz ORFJKSXCOBWIJB-QBBOHKLWSA-N 1 0 284.743 3.397 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cncc([C@@H]2CCC[NH2+]2)c1 ZINC000906174051 622167845 /nfs/dbraw/zinc/16/78/45/622167845.db2.gz WDTRQLJZUVDIIK-AWEZNQCLSA-N 1 0 287.294 3.220 20 5 CGBDRO Cc1c(C[NH2+]CCCC(F)(F)F)cccc1[N+](=O)[O-] ZINC000149112317 622202978 /nfs/dbraw/zinc/20/29/78/622202978.db2.gz JFTKTQYLUQSIQE-UHFFFAOYSA-N 1 0 276.258 3.335 20 5 CGBDRO CC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)C1CCCCC1 ZINC000058590735 622937429 /nfs/dbraw/zinc/93/74/29/622937429.db2.gz JOXHFXMDEOSABX-UHFFFAOYSA-N 1 0 280.372 3.020 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171951313 623204525 /nfs/dbraw/zinc/20/45/25/623204525.db2.gz IZGJFXIBVAWQDK-SNVBAGLBSA-N 1 0 254.305 3.212 20 5 CGBDRO CC(C)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000172662993 623268337 /nfs/dbraw/zinc/26/83/37/623268337.db2.gz IQFQOJPIHVTJQY-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000035254705 623422596 /nfs/dbraw/zinc/42/25/96/623422596.db2.gz WVVYUUJKEUNRKV-LBPRGKRZSA-N 1 0 274.320 3.217 20 5 CGBDRO C[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCC(C(C)(C)C)CC1 ZINC000921046186 624564787 /nfs/dbraw/zinc/56/47/87/624564787.db2.gz KXUSUISUPGAUTK-UHFFFAOYSA-N 1 0 294.399 3.286 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cccc3c2OCC3)cc1[N+](=O)[O-] ZINC000922315238 625996662 /nfs/dbraw/zinc/99/66/62/625996662.db2.gz ALUWDPONAKDSBL-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC2(CCC2)O1 ZINC000922805632 626047585 /nfs/dbraw/zinc/04/75/85/626047585.db2.gz PCZNZRWZEYWHPJ-CQSZACIVSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@]1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCCO1 ZINC000922819127 626051052 /nfs/dbraw/zinc/05/10/52/626051052.db2.gz JMNGPDORTZQIIB-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000227859778 626081408 /nfs/dbraw/zinc/08/14/08/626081408.db2.gz IYCXFOOVEIEITQ-GUYJKWIASA-N 1 0 292.379 3.043 20 5 CGBDRO CCC[NH+](CCC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000074171530 626136888 /nfs/dbraw/zinc/13/68/88/626136888.db2.gz RZIYXNCEFBEBTQ-UHFFFAOYSA-N 1 0 276.340 3.024 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000839636616 626767328 /nfs/dbraw/zinc/76/73/28/626767328.db2.gz AVRNMKOWEGQJCG-ZUZCIYMTSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CC2)ccc1Cl ZINC000760711681 626986653 /nfs/dbraw/zinc/98/66/53/626986653.db2.gz YEXCOUOVPXBLMP-UHFFFAOYSA-N 1 0 266.728 3.280 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000764485771 627209041 /nfs/dbraw/zinc/20/90/41/627209041.db2.gz ODDSTHBKOZCGAU-LLVKDONJSA-N 1 0 280.755 3.480 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC=CO1 ZINC000786818004 628965122 /nfs/dbraw/zinc/96/51/22/628965122.db2.gz FBQVMVJMDACWKM-LRFDDAOPSA-N 1 0 288.347 3.280 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000793529743 629476214 /nfs/dbraw/zinc/47/62/14/629476214.db2.gz UHSYQZXWULOBDN-VXGBXAGGSA-N 1 0 288.351 3.049 20 5 CGBDRO CC(C)([NH2+]CCCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000795220073 629647555 /nfs/dbraw/zinc/64/75/55/629647555.db2.gz PJHUWPBBJANIMP-UHFFFAOYSA-N 1 0 294.395 3.362 20 5 CGBDRO Cc1c(CNc2ccc3c(c2)C[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000864006627 629726051 /nfs/dbraw/zinc/72/60/51/629726051.db2.gz KYWDUZWKEIMUBV-UHFFFAOYSA-N 1 0 297.358 3.461 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1CCCS1 ZINC000865724693 630476603 /nfs/dbraw/zinc/47/66/03/630476603.db2.gz DAMRQVSWKXWKFF-XSHSDMCLSA-N 1 0 292.404 3.483 20 5 CGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702349 630787301 /nfs/dbraw/zinc/78/73/01/630787301.db2.gz FHERDOBCGONZBY-KWQFWETISA-N 1 0 286.784 3.089 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718422 630791222 /nfs/dbraw/zinc/79/12/22/630791222.db2.gz JTYHAXYTETWZJR-LDYMZIIASA-N 1 0 254.717 3.136 20 5 CGBDRO CCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809749215 630799545 /nfs/dbraw/zinc/79/95/45/630799545.db2.gz CWBOBTHGMKOGEY-UHFFFAOYSA-N 1 0 299.802 3.022 20 5 CGBDRO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087849 632377149 /nfs/dbraw/zinc/37/71/49/632377149.db2.gz PILSHISWKXUUFM-DOMZBBRYSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819255380 632412517 /nfs/dbraw/zinc/41/25/17/632412517.db2.gz ZQSTUXQEZZEKKS-XNRPHZJLSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819329843 632430986 /nfs/dbraw/zinc/43/09/86/632430986.db2.gz SUQPLGJSTQDANS-CQSZACIVSA-N 1 0 294.395 3.290 20 5 CGBDRO CO[C@@H]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000821391715 632762592 /nfs/dbraw/zinc/76/25/92/632762592.db2.gz PQGVPODLXPSETE-WCQYABFASA-N 1 0 298.770 3.248 20 5 CGBDRO CSC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270543 633055641 /nfs/dbraw/zinc/05/56/41/633055641.db2.gz YFUUPUSJEGFSIW-UWVGGRQHSA-N 1 0 286.372 3.006 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC1CC1 ZINC000866304114 633072493 /nfs/dbraw/zinc/07/24/93/633072493.db2.gz TXXDMQBXTJJTLZ-JTQLQIEISA-N 1 0 266.316 3.055 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000866373748 633109496 /nfs/dbraw/zinc/10/94/96/633109496.db2.gz RLXMHQABXREMDV-HKCMKHECSA-N 1 0 292.354 3.443 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)F ZINC000866409762 633126148 /nfs/dbraw/zinc/12/61/48/633126148.db2.gz SHCGCNBJZJRYOW-VIFPVBQESA-N 1 0 272.295 3.003 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866411080 633126520 /nfs/dbraw/zinc/12/65/20/633126520.db2.gz BPZFPSVYWQXBFH-HZMBPMFUSA-N 1 0 275.352 3.160 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866451173 633141192 /nfs/dbraw/zinc/14/11/92/633141192.db2.gz FWWSSQABUJWCSS-SUZMYJTESA-N 1 0 281.331 3.108 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000866612456 633212360 /nfs/dbraw/zinc/21/23/60/633212360.db2.gz JCBPZLVTKFIUMB-NWDGAFQWSA-N 1 0 288.351 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000122588151 633444001 /nfs/dbraw/zinc/44/40/01/633444001.db2.gz CYHXLXQZYSZQDO-SNVBAGLBSA-N 1 0 295.770 3.144 20 5 CGBDRO COC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016511 633937104 /nfs/dbraw/zinc/93/71/04/633937104.db2.gz KKVQBTRTHLHWKZ-VHSXEESVSA-N 1 0 284.381 3.002 20 5 CGBDRO CC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872073584 633995932 /nfs/dbraw/zinc/99/59/32/633995932.db2.gz SBTIZOFCSOMTGR-PWSUYJOCSA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872077428 634000690 /nfs/dbraw/zinc/00/06/90/634000690.db2.gz IEJSIZNQURLQCZ-JTQLQIEISA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083793 634007977 /nfs/dbraw/zinc/00/79/77/634007977.db2.gz OWEKIAJYOKUMPE-GHMZBOCLSA-N 1 0 296.342 3.200 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2CCCCCCCC2)cc1 ZINC000831937813 634017463 /nfs/dbraw/zinc/01/74/63/634017463.db2.gz XUMQNCKCUPESDU-MRXNPFEDSA-N 1 0 292.379 3.284 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000872128864 634049747 /nfs/dbraw/zinc/04/97/47/634049747.db2.gz ZZZDSWRURZUCEC-SGMGOOAPSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000872129853 634050743 /nfs/dbraw/zinc/05/07/43/634050743.db2.gz ZZZDSWRURZUCEC-MBNYWOFBSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129822 634051188 /nfs/dbraw/zinc/05/11/88/634051188.db2.gz WPKIOJLYUZOOJH-OLZOCXBDSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000873098791 634246006 /nfs/dbraw/zinc/24/60/06/634246006.db2.gz ATQOIBDDSHODAT-VXGBXAGGSA-N 1 0 292.379 3.257 20 5 CGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873101031 634246359 /nfs/dbraw/zinc/24/63/59/634246359.db2.gz MAQHSRANRRHFAN-CJNGLKHVSA-N 1 0 292.379 3.116 20 5 CGBDRO CO[C@](C)(C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000873127751 634251280 /nfs/dbraw/zinc/25/12/80/634251280.db2.gz UZKZESWGQXNNEY-MRXNPFEDSA-N 1 0 292.379 3.116 20 5 CGBDRO Cc1ccoc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873127655 634251540 /nfs/dbraw/zinc/25/15/40/634251540.db2.gz SDSHUFQHMNLPIZ-UHFFFAOYSA-N 1 0 274.320 3.403 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCSC1 ZINC000873126380 634252002 /nfs/dbraw/zinc/25/20/02/634252002.db2.gz GKYWBAIBSQWMOO-CYBMUJFWSA-N 1 0 294.420 3.444 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cccc1[N+](=O)[O-] ZINC000873138707 634257167 /nfs/dbraw/zinc/25/71/67/634257167.db2.gz LVJGOQFNSKVQDZ-LBPRGKRZSA-N 1 0 284.306 3.284 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCCOC1 ZINC000873140574 634257326 /nfs/dbraw/zinc/25/73/26/634257326.db2.gz QRELKZVUMWLHRG-CQSZACIVSA-N 1 0 292.379 3.118 20 5 CGBDRO Cc1ccc(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000873253159 634302026 /nfs/dbraw/zinc/30/20/26/634302026.db2.gz URGOHPCVPYSPIO-CVEARBPZSA-N 1 0 297.358 3.138 20 5 CGBDRO Cc1ccc(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000873253163 634302725 /nfs/dbraw/zinc/30/27/25/634302725.db2.gz URGOHPCVPYSPIO-HZPDHXFCSA-N 1 0 297.358 3.138 20 5 CGBDRO C[C@@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000873296919 634323841 /nfs/dbraw/zinc/32/38/41/634323841.db2.gz NTPAFOGNHKOGKX-RLCCDNCMSA-N 1 0 297.358 3.390 20 5 CGBDRO CC(C)(C)CCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877013860 634949956 /nfs/dbraw/zinc/94/99/56/634949956.db2.gz IAKSMQLNISHNTQ-UHFFFAOYSA-N 1 0 294.399 3.301 20 5 CGBDRO CCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000877585894 635102278 /nfs/dbraw/zinc/10/22/78/635102278.db2.gz PWOKBHGPRFLKHE-SSDMNJCBSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877736204 635169925 /nfs/dbraw/zinc/16/99/25/635169925.db2.gz QTPSYMLUNZOHLT-KBPBESRZSA-N 1 0 292.404 3.088 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690890 635212359 /nfs/dbraw/zinc/21/23/59/635212359.db2.gz XMVYIQOPOWJBRT-OLZOCXBDSA-N 1 0 294.399 3.204 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878629096 635579257 /nfs/dbraw/zinc/57/92/57/635579257.db2.gz AWFMBQKAHSYDGO-MRXNPFEDSA-N 1 0 297.358 3.288 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]3(CC3(F)F)C2)c1 ZINC000844433824 635899055 /nfs/dbraw/zinc/89/90/55/635899055.db2.gz HXCSZFYEPCMLTR-ZDUSSCGKSA-N 1 0 282.290 3.216 20 5 CGBDRO Cc1nn(C[N@H+]2CCC[C@@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000130656796 636490113 /nfs/dbraw/zinc/49/01/13/636490113.db2.gz NCANEUZJWKJHCO-CQSZACIVSA-N 1 0 294.399 3.266 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850370325 637034015 /nfs/dbraw/zinc/03/40/15/637034015.db2.gz CZBZINSOTKNIRX-NVXWUHKLSA-N 1 0 298.342 3.171 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000850449218 637070522 /nfs/dbraw/zinc/07/05/22/637070522.db2.gz RYYPIWPRJPBYJN-MNOVXSKESA-N 1 0 289.335 3.343 20 5 CGBDRO C[C@H]([NH2+]C1CC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850576518 637130866 /nfs/dbraw/zinc/13/08/66/637130866.db2.gz NUTMMFRNWPJDIS-VIFPVBQESA-N 1 0 263.341 3.016 20 5 CGBDRO CSCC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468011 637134123 /nfs/dbraw/zinc/13/41/23/637134123.db2.gz KLWISXVGUBNICJ-QWRGUYRKSA-N 1 0 268.382 3.387 20 5 CGBDRO CC(C)(C)C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238470 637467124 /nfs/dbraw/zinc/46/71/24/637467124.db2.gz AMNYBVTVURZNJW-GFCCVEGCSA-N 1 0 277.368 3.248 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCF ZINC000887138703 637758145 /nfs/dbraw/zinc/75/81/45/637758145.db2.gz ILSWWQJGAYSAEX-UHFFFAOYSA-N 1 0 284.331 3.173 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1(Cl)CC1 ZINC000925515587 638516479 /nfs/dbraw/zinc/51/64/79/638516479.db2.gz UPSDGQXGSXUAFI-QMMMGPOBSA-N 1 0 289.162 3.498 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCOC1 ZINC000858205943 638657213 /nfs/dbraw/zinc/65/72/13/638657213.db2.gz FPEIREZXDFOHDF-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000926796542 638813093 /nfs/dbraw/zinc/81/30/93/638813093.db2.gz OWHKDLBXNPPQIN-GOEBONIOSA-N 1 0 294.395 3.323 20 5 CGBDRO C[N@H+](CCCC(C)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC000929164418 638904004 /nfs/dbraw/zinc/90/40/04/638904004.db2.gz HSSNFQCCTOPLJC-UHFFFAOYSA-N 1 0 272.295 3.462 20 5 CGBDRO C[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000158432848 640005740 /nfs/dbraw/zinc/00/57/40/640005740.db2.gz AUVZPQAAGVOTAA-UWVGGRQHSA-N 1 0 299.321 3.427 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(NC[C@H]3CCCC[NH2+]3)nc12 ZINC001160145265 806227232 /nfs/dbraw/zinc/22/72/32/806227232.db2.gz QIHBUISQHKBCJU-OAHLLOKOSA-N 1 0 292.386 3.337 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cscn1 ZINC001254534720 806444487 /nfs/dbraw/zinc/44/44/87/806444487.db2.gz BXFBINFKGXFTQG-WDEREUQCSA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001254533222 806444713 /nfs/dbraw/zinc/44/47/13/806444713.db2.gz YGSOPGOKCKCLMM-MRVWCRGKSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(CCC2)C1 ZINC001254545330 806446549 /nfs/dbraw/zinc/44/65/49/806446549.db2.gz MBDFIXUKPRDTTE-GFCCVEGCSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(N)cc1 ZINC001254539265 806446733 /nfs/dbraw/zinc/44/67/33/806446733.db2.gz CIQCACFTGSVSKT-STQMWFEESA-N 1 0 299.374 3.459 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccnc1 ZINC001254550277 806447728 /nfs/dbraw/zinc/44/77/28/806447728.db2.gz HCDRLERZSPJRNW-ZDUSSCGKSA-N 1 0 285.347 3.053 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254551131 806448300 /nfs/dbraw/zinc/44/83/00/806448300.db2.gz YQYHVALSMSPKKZ-CFVMTHIKSA-N 1 0 292.379 3.073 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254558549 806450004 /nfs/dbraw/zinc/45/00/04/806450004.db2.gz CKMNGXPMDJEFNW-DZGCQCFKSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564834 806450941 /nfs/dbraw/zinc/45/09/41/806450941.db2.gz ATJQRESDNODFQL-XNRPHZJLSA-N 1 0 288.391 3.478 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567403 806452606 /nfs/dbraw/zinc/45/26/06/806452606.db2.gz NFGSIRSYXDXHRC-DFBGVHRSSA-N 1 0 274.364 3.230 20 5 CGBDRO CCCCCC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254566253 806452736 /nfs/dbraw/zinc/45/27/36/806452736.db2.gz IZDSHSNKDYWVFS-AWEZNQCLSA-N 1 0 262.353 3.232 20 5 CGBDRO Cc1ccccc1CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568887 806453452 /nfs/dbraw/zinc/45/34/52/806453452.db2.gz VSASMIRSMDPIMI-KRWDZBQOSA-N 1 0 296.370 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)C2 ZINC001254576349 806454853 /nfs/dbraw/zinc/45/48/53/806454853.db2.gz VQRAORKJEDOAPO-STQMWFEESA-N 1 0 296.317 3.230 20 5 CGBDRO Cc1ccnc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580458 806456080 /nfs/dbraw/zinc/45/60/80/806456080.db2.gz CUVSVMFKDPACCA-IUODEOHRSA-N 1 0 297.358 3.116 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(CC3CC3)CC1)C2 ZINC001254587629 806456245 /nfs/dbraw/zinc/45/62/45/806456245.db2.gz RNGRZWVLCUCAEG-HNNXBMFYSA-N 1 0 286.375 3.232 20 5 CGBDRO Cc1cc(Cl)c(N[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162406377 806579415 /nfs/dbraw/zinc/57/94/15/806579415.db2.gz HAWSIQILQDAHFA-ZJUUUORDSA-N 1 0 283.759 3.238 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCCCCC2)cs1 ZINC000037562560 798869461 /nfs/dbraw/zinc/86/94/61/798869461.db2.gz ADTQKXAXPZXBNQ-UHFFFAOYSA-N 1 0 254.355 3.469 20 5 CGBDRO C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000111290049 798983664 /nfs/dbraw/zinc/98/36/64/798983664.db2.gz MIGJTWHHXRUSPA-UHFFFAOYSA-N 1 0 285.294 3.039 20 5 CGBDRO CCCC[N@H+](Cn1nc(C)c([N+](=O)[O-])c1C)[C@@H](C)CC ZINC000123692607 798995381 /nfs/dbraw/zinc/99/53/81/798995381.db2.gz DJGZNQNDQQKKCK-NSHDSACASA-N 1 0 282.388 3.266 20 5 CGBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000308663317 799217386 /nfs/dbraw/zinc/21/73/86/799217386.db2.gz AWYPWQCDCPCGLD-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CC3)C2)ccc1Cl ZINC000400285321 799544496 /nfs/dbraw/zinc/54/44/96/799544496.db2.gz KZZMTGUMCUODBD-GFCCVEGCSA-N 1 0 280.755 3.480 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000402265790 799561541 /nfs/dbraw/zinc/56/15/41/799561541.db2.gz IDCNHQBAMVVDKK-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000688295921 799747642 /nfs/dbraw/zinc/74/76/42/799747642.db2.gz GSYRSQROQMVPJF-LLVKDONJSA-N 1 0 296.754 3.049 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C)SC2)cc1[N+](=O)[O-] ZINC000689563372 799766637 /nfs/dbraw/zinc/76/66/37/799766637.db2.gz VJCCTPKOTFDWCZ-DGCLKSJQSA-N 1 0 280.393 3.277 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2SCCS2)cc1[N+](=O)[O-] ZINC000692805126 799798850 /nfs/dbraw/zinc/79/88/50/799798850.db2.gz CJHRAVPEEJENMK-JTQLQIEISA-N 1 0 298.433 3.360 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000695637697 799831567 /nfs/dbraw/zinc/83/15/67/799831567.db2.gz LADCXCUGXBHKAQ-NXEZZACHSA-N 1 0 268.744 3.405 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001163571094 806785175 /nfs/dbraw/zinc/78/51/75/806785175.db2.gz FYBGXKYIOXRGAC-CHWSQXEVSA-N 1 0 297.786 3.389 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701952938 799899568 /nfs/dbraw/zinc/89/95/68/799899568.db2.gz XVISNHCRTNVPML-NWDGAFQWSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000706920938 799970289 /nfs/dbraw/zinc/97/02/89/799970289.db2.gz CEMOSZXEZFRZIU-SECBINFHSA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cs1 ZINC000717172794 800195422 /nfs/dbraw/zinc/19/54/22/800195422.db2.gz NFCJKJLBJGDGPF-LBPRGKRZSA-N 1 0 296.392 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CC=CC2)c1 ZINC000717343315 800200949 /nfs/dbraw/zinc/20/09/49/800200949.db2.gz GSRMLRVZBCSPAW-UHFFFAOYSA-N 1 0 266.728 3.304 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000720259565 800254698 /nfs/dbraw/zinc/25/46/98/800254698.db2.gz SMTOCIXEPPOUET-RYUDHWBXSA-N 1 0 280.368 3.367 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1cc2cccnc2c2ncccc12 ZINC001163782540 806826700 /nfs/dbraw/zinc/82/67/00/806826700.db2.gz KUORHJKDVJJUTE-LBPRGKRZSA-N 1 0 280.375 3.145 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000922585667 800619475 /nfs/dbraw/zinc/61/94/75/800619475.db2.gz NCRUUZRCVOCHRN-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO C=Cn1c2ccc(OCC)cc2c(=[NH2+])c2ccc(N)cc21 ZINC001174785559 809163110 /nfs/dbraw/zinc/16/31/10/809163110.db2.gz JSAVQBDVVUFGQB-UHFFFAOYSA-N 1 0 279.343 3.355 20 5 CGBDRO Cc1c(NCC[C@@H]2CCC[N@@H+](C)C2)cc(F)cc1[N+](=O)[O-] ZINC001165279592 806986522 /nfs/dbraw/zinc/98/65/22/806986522.db2.gz WLOMDCKYEGWVCR-LBPRGKRZSA-N 1 0 295.358 3.186 20 5 CGBDRO CC1(Nc2cc3cccnc3c3ncccc23)CC[NH2+]CC1 ZINC001168187795 807338294 /nfs/dbraw/zinc/33/82/94/807338294.db2.gz HNJCWDLQDXRHIV-UHFFFAOYSA-N 1 0 292.386 3.337 20 5 CGBDRO Cc1cc(Cl)c(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001168189684 807341250 /nfs/dbraw/zinc/34/12/50/807341250.db2.gz XAFHATZQJGTDJC-UHFFFAOYSA-N 1 0 283.759 3.111 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC1(c2cccnn2)CC1 ZINC001168512820 807438891 /nfs/dbraw/zinc/43/88/91/807438891.db2.gz BGCJJGBZAQDMGF-UHFFFAOYSA-N 1 0 297.426 3.174 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168979048 807545706 /nfs/dbraw/zinc/54/57/06/807545706.db2.gz WNVVBIPLMXNBAZ-FVQBIDKESA-N 1 0 276.380 3.419 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001168978582 807546190 /nfs/dbraw/zinc/54/61/90/807546190.db2.gz SPLLKOVGIOODDG-KOLCDFICSA-N 1 0 286.734 3.014 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983314 807547172 /nfs/dbraw/zinc/54/71/72/807547172.db2.gz JIRZWXWJZYLISW-SMDDNHRTSA-N 1 0 280.343 3.096 20 5 CGBDRO CCCC1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168989852 807547979 /nfs/dbraw/zinc/54/79/79/807547979.db2.gz XEESPFQYSATZFQ-SHWKFHJASA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC001168989298 807548299 /nfs/dbraw/zinc/54/82/99/807548299.db2.gz VQZWFAQJSDMDKJ-GJZGRUSLSA-N 1 0 268.401 3.382 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1F ZINC001168990317 807548313 /nfs/dbraw/zinc/54/83/13/807548313.db2.gz BOICSZHHMQKSIN-MXWKQRLJSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)C1 ZINC001168997469 807548814 /nfs/dbraw/zinc/54/88/14/807548814.db2.gz ZQXYKXFWFSAAGI-DOMZBBRYSA-N 1 0 292.354 3.240 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001169006543 807550274 /nfs/dbraw/zinc/55/02/74/807550274.db2.gz YRZXNOHJPBUASU-SCRDCRAPSA-N 1 0 280.343 3.230 20 5 CGBDRO CC(C)(C)C1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169008698 807552219 /nfs/dbraw/zinc/55/22/19/807552219.db2.gz UCPYGURJIQCJAY-OCCSQVGLSA-N 1 0 268.401 3.190 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@@H]32)C1 ZINC001169037729 807555760 /nfs/dbraw/zinc/55/57/60/807555760.db2.gz TWSHPMMZJYIVQW-QPSCCSFWSA-N 1 0 266.385 3.086 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039926 807557629 /nfs/dbraw/zinc/55/76/29/807557629.db2.gz VXJYWEMIROZTON-PBHICJAKSA-N 1 0 286.375 3.221 20 5 CGBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049146 807558637 /nfs/dbraw/zinc/55/86/37/807558637.db2.gz WAGCHPZGIIBSKD-CVEARBPZSA-N 1 0 290.407 3.385 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@H]1CCc2ccccc21 ZINC001169054206 807561650 /nfs/dbraw/zinc/56/16/50/807561650.db2.gz KRSLMVRVEAZAAO-XPKDYRNWSA-N 1 0 274.364 3.051 20 5 CGBDRO CC(C)(C)c1ccc(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001169568189 807668099 /nfs/dbraw/zinc/66/80/99/807668099.db2.gz SZDIRKHSKZPXQT-CYBMUJFWSA-N 1 0 291.395 3.446 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1ccc([N+](=O)[O-])cn1 ZINC001169684976 807687425 /nfs/dbraw/zinc/68/74/25/807687425.db2.gz XWKOUHPJIJAPPE-CQSZACIVSA-N 1 0 298.346 3.230 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ncccc1[N+](=O)[O-] ZINC001169695083 807689674 /nfs/dbraw/zinc/68/96/74/807689674.db2.gz FADXJKCMQKEQBZ-ZDUSSCGKSA-N 1 0 298.346 3.230 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccn1C1CC1 ZINC001261254875 807720793 /nfs/dbraw/zinc/72/07/93/807720793.db2.gz FOZMMTRLHSWPRC-UHFFFAOYSA-N 1 0 271.320 3.021 20 5 CGBDRO CN(c1ccc(C(C)(C)C)cc1[N+](=O)[O-])C(C)(C)C[NH3+] ZINC001170058706 807743178 /nfs/dbraw/zinc/74/31/78/807743178.db2.gz BFRZJDJOWXAVHE-UHFFFAOYSA-N 1 0 279.384 3.066 20 5 CGBDRO CC[C@H](C)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170293098 807819000 /nfs/dbraw/zinc/81/90/00/807819000.db2.gz KOHXMWMQUDYVFU-NWDGAFQWSA-N 1 0 280.368 3.170 20 5 CGBDRO COc1ccc(C[C@H](C)[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC001170346600 807827632 /nfs/dbraw/zinc/82/76/32/807827632.db2.gz ORNIDIQWAJSHOR-XGNXJENSSA-N 1 0 290.363 3.161 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899041 808475818 /nfs/dbraw/zinc/47/58/18/808475818.db2.gz SELSFPUGPXOTCL-IUODEOHRSA-N 1 0 276.380 3.478 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CC3CC(C3)C1)CC2 ZINC001172918502 808478232 /nfs/dbraw/zinc/47/82/32/808478232.db2.gz BGIKOLZXNVMXNY-ZUEPYMLJSA-N 1 0 286.375 3.184 20 5 CGBDRO CC[NH+](CC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183959 808533135 /nfs/dbraw/zinc/53/31/35/808533135.db2.gz KLBYRUJLRUGFQG-SNVBAGLBSA-N 1 0 284.331 3.015 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccs1 ZINC001173213451 808538696 /nfs/dbraw/zinc/53/86/96/808538696.db2.gz FHMKGONYNQIJGT-GFCCVEGCSA-N 1 0 290.388 3.420 20 5 CGBDRO Cc1nc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213899 808538964 /nfs/dbraw/zinc/53/89/64/808538964.db2.gz IQTYJUGWSTUPHR-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217291 808538988 /nfs/dbraw/zinc/53/89/88/808538988.db2.gz RVGBDDBUOCIYNB-LLVKDONJSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(N)c1 ZINC001173220376 808539784 /nfs/dbraw/zinc/53/97/84/808539784.db2.gz ZJTFLCCBEZMBON-STQMWFEESA-N 1 0 299.374 3.459 20 5 CGBDRO CCC[N@H+](CC)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226483 808541354 /nfs/dbraw/zinc/54/13/54/808541354.db2.gz LYYJJCBKRJXVPI-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCCC1 ZINC001173225967 808541581 /nfs/dbraw/zinc/54/15/81/808541581.db2.gz KJCHDWCOMAKSRX-ZDUSSCGKSA-N 1 0 262.353 3.402 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C(C)(C)C ZINC001173227635 808541691 /nfs/dbraw/zinc/54/16/91/808541691.db2.gz RNRDCROBGLHASC-LLVKDONJSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](CC1CC1)C1CC1 ZINC001173230288 808542521 /nfs/dbraw/zinc/54/25/21/808542521.db2.gz DOEDXJUQAFLSIG-LBPRGKRZSA-N 1 0 274.364 3.400 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC001173229953 808542988 /nfs/dbraw/zinc/54/29/88/808542988.db2.gz WMJDMQWXWMTKNY-OLZOCXBDSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@H](OCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001206709134 813403990 /nfs/dbraw/zinc/40/39/90/813403990.db2.gz DHBOYLQKHNOWNH-ZDUSSCGKSA-N 1 0 278.352 3.158 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2[nH+]ccn2c1 ZINC001211286678 814871015 /nfs/dbraw/zinc/87/10/15/814871015.db2.gz XVOZHPYFOBKZFO-UHFFFAOYSA-N 1 0 268.276 3.295 20 5 CGBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1CC[NH2+]C1 ZINC001217824705 815970433 /nfs/dbraw/zinc/97/04/33/815970433.db2.gz UIODXFNVWIQYKJ-ZDUSSCGKSA-N 1 0 278.355 3.267 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001217987745 816035003 /nfs/dbraw/zinc/03/50/03/816035003.db2.gz MZTSXFGYUBRCBM-RNCFNFMXSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001217992641 816039293 /nfs/dbraw/zinc/03/92/93/816039293.db2.gz SMPGIDPYTTWWAP-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2O[C@H]1C[NH2+]CCOC1 ZINC001218044703 816071236 /nfs/dbraw/zinc/07/12/36/816071236.db2.gz MVKOAJXDTZKLFK-INIZCTEOSA-N 1 0 293.366 3.360 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CCC23CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001218079544 816087411 /nfs/dbraw/zinc/08/74/11/816087411.db2.gz FTMVQTXZVDUYIG-AWEZNQCLSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CCC[C@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218091814 816093258 /nfs/dbraw/zinc/09/32/58/816093258.db2.gz GRHWMVVDFDPDEE-GOEBONIOSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113702 816101733 /nfs/dbraw/zinc/10/17/33/816101733.db2.gz CWLOTZZQQFVSJR-FZMZJTMJSA-N 1 0 296.754 3.078 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218263925 816145264 /nfs/dbraw/zinc/14/52/64/816145264.db2.gz NYRZHBQWIJHZDB-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@@H]2C[NH2+]CCC23CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001218409164 816200500 /nfs/dbraw/zinc/20/05/00/816200500.db2.gz RJLJMQBDEQMPRX-CQSZACIVSA-N 1 0 290.363 3.041 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@H]12 ZINC001218475092 816232924 /nfs/dbraw/zinc/23/29/24/816232924.db2.gz XYEFQHVKCYZCLH-IVMMDQJWSA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1cccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001223658833 816664163 /nfs/dbraw/zinc/66/41/63/816664163.db2.gz GLYOZJNTRKDHFE-FICVDOATSA-N 1 0 290.363 3.045 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1c(F)c(F)c(F)c(F)c1F ZINC001224772190 816878668 /nfs/dbraw/zinc/87/86/68/816878668.db2.gz WQUITTSILUUGLU-ZETCQYMHSA-N 1 0 298.275 3.166 20 5 CGBDRO Cc1ccc([C@H](OCC[N+](C)(C)C)C(F)(F)F)cc1 ZINC001224775828 816879810 /nfs/dbraw/zinc/87/98/10/816879810.db2.gz PVCOGYMYIMPWKD-ZDUSSCGKSA-N 1 0 276.322 3.321 20 5 CGBDRO C[NH+](C)C1CCC(Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225788839 817179791 /nfs/dbraw/zinc/17/97/91/817179791.db2.gz PINKKNDIVNXIHF-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225790146 817180066 /nfs/dbraw/zinc/18/00/66/817180066.db2.gz ZUOBPRITKJPJOQ-JTQLQIEISA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(C(=O)c2ccccc2)c1 ZINC001225998938 817244576 /nfs/dbraw/zinc/24/45/76/817244576.db2.gz LRWIDIYSHYFUNB-HNNXBMFYSA-N 1 0 298.406 3.391 20 5 CGBDRO COc1ccc2cccc(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001226874217 817490653 /nfs/dbraw/zinc/49/06/53/817490653.db2.gz HJMZWWQOZMTHAK-CYBMUJFWSA-N 1 0 274.384 3.322 20 5 CGBDRO Cc1cc(C)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])c1 ZINC001228229179 817844764 /nfs/dbraw/zinc/84/47/64/817844764.db2.gz FIBSSBRFGOMDGX-WDNDVIMCSA-N 1 0 290.363 3.216 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1cccc2nc3ccccc3nc21 ZINC001228520744 817926769 /nfs/dbraw/zinc/92/67/69/817926769.db2.gz FPUNUAULKXSFNT-GFCCVEGCSA-N 1 0 281.359 3.112 20 5 CGBDRO CC(=O)c1ccc2c(c1O[C@H](C)C[N+](C)(C)C)CCCC2 ZINC001233546622 818637271 /nfs/dbraw/zinc/63/72/71/818637271.db2.gz IXZPUQONHOSTMQ-CYBMUJFWSA-N 1 0 290.427 3.242 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@@H]2C[NH2+][C@@H]2C1 ZINC001236281490 819412613 /nfs/dbraw/zinc/41/26/13/819412613.db2.gz HHQHHIUWIKBKFQ-OXJNMPFZSA-N 1 0 288.394 3.397 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236285053 819412860 /nfs/dbraw/zinc/41/28/60/819412860.db2.gz CLIWUUIPTYGUJL-OXQOHEQNSA-N 1 0 288.394 3.397 20 5 CGBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1 ZINC001472838173 937112771 /nfs/dbraw/zinc/11/27/71/937112771.db2.gz KWEASEKZOUIVSZ-UHFFFAOYSA-N 1 0 265.357 3.127 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC001458111199 937451526 /nfs/dbraw/zinc/45/15/26/937451526.db2.gz XPWRQHGURMLOLE-TXEJJXNPSA-N 1 0 297.424 3.436 20 5 CGBDRO Cc1cccc2c1ccnc2O[C@@H](C)C[N+](C)(C)C ZINC001229044445 932079518 /nfs/dbraw/zinc/07/95/18/932079518.db2.gz SRZFGNNVOZXJCZ-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO Cc1cccc2sc(O[C@H](C)C[N+](C)(C)C)nc21 ZINC001229933086 932505464 /nfs/dbraw/zinc/50/54/64/932505464.db2.gz MNRHKHLTWIPKHS-LLVKDONJSA-N 1 0 265.402 3.078 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2nccc(Cl)c2c1 ZINC001230006247 932519507 /nfs/dbraw/zinc/51/95/07/932519507.db2.gz OAAIPNSORLXKMQ-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001231059063 932668072 /nfs/dbraw/zinc/66/80/72/932668072.db2.gz FZIVYXGJKWDEKT-ZDUSSCGKSA-N 1 0 278.352 3.073 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC001307622518 932977488 /nfs/dbraw/zinc/97/74/88/932977488.db2.gz QFSXTPOJUHVFMP-KRWDZBQOSA-N 1 0 284.359 3.227 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC001307633655 932979164 /nfs/dbraw/zinc/97/91/64/932979164.db2.gz IYIRBTMQFSFWMD-BMFZPTHFSA-N 1 0 290.363 3.062 20 5 CGBDRO COC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCCC1 ZINC001308422421 933108464 /nfs/dbraw/zinc/10/84/64/933108464.db2.gz JRBSOZRRWWJMHO-UHFFFAOYSA-N 1 0 292.379 3.260 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC001324061840 934454895 /nfs/dbraw/zinc/45/48/95/934454895.db2.gz UBLNIBWZSKKANJ-WWGRRREGSA-N 1 0 290.363 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H]2CCCC[C@@H]2C1 ZINC001324459736 934508902 /nfs/dbraw/zinc/50/89/02/934508902.db2.gz MCIQBQFRLIANAR-CHWSQXEVSA-N 1 0 290.363 3.313 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC001473403107 937805579 /nfs/dbraw/zinc/80/55/79/937805579.db2.gz QSJQWNYCAXIEGQ-QWRGUYRKSA-N 1 0 289.335 3.356 20 5 CGBDRO Cc1ccccc1NC(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC001326904752 935014365 /nfs/dbraw/zinc/01/43/65/935014365.db2.gz FXYGTKVJSJGKCF-UHFFFAOYSA-N 1 0 284.319 3.040 20 5 CGBDRO Cc1c(C[NH2+]C2CC3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC001330795214 935322648 /nfs/dbraw/zinc/32/26/48/935322648.db2.gz UIZAFGPGONLFKY-UHFFFAOYSA-N 1 0 282.290 3.181 20 5 CGBDRO C[C@@H]([NH2+]CCCC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001331984569 935431294 /nfs/dbraw/zinc/43/12/94/935431294.db2.gz PDUMNXJPOKIZTJ-MRVPVSSYSA-N 1 0 276.258 3.430 20 5 CGBDRO CC(C)CCCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001474478624 937862440 /nfs/dbraw/zinc/86/24/40/937862440.db2.gz FJZFVAYEYWDZEX-UHFFFAOYSA-N 1 0 290.367 3.387 20 5 CGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001559155394 938221456 /nfs/dbraw/zinc/22/14/56/938221456.db2.gz HKLKYQFMGBLJER-WDEREUQCSA-N 1 0 297.786 3.167 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560649740 938267890 /nfs/dbraw/zinc/26/78/90/938267890.db2.gz QTTAIIUPYOTLNA-NSHDSACASA-N 1 0 296.367 3.177 20 5 CGBDRO CCCCC[N@H+](CCO)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001560728656 938272742 /nfs/dbraw/zinc/27/27/42/938272742.db2.gz ASYLVUMFCWGRBL-UHFFFAOYSA-N 1 0 294.395 3.196 20 5 CGBDRO CCC(CC)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001561026371 938290293 /nfs/dbraw/zinc/29/02/93/938290293.db2.gz BPSGJIFCIPRXPT-NSHDSACASA-N 1 0 250.342 3.477 20 5 CGBDRO O=[N+]([O-])c1ccc(SCC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC001580875414 962743617 /nfs/dbraw/zinc/74/36/17/962743617.db2.gz KPSMAYBRZIPRFW-JTQLQIEISA-N 1 0 284.356 3.216 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000337952588 214328423 /nfs/dbraw/zinc/32/84/23/214328423.db2.gz YKPGLQZKAWJLJA-LLVKDONJSA-N 1 0 286.397 3.197 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000337986138 214344852 /nfs/dbraw/zinc/34/48/52/214344852.db2.gz AHPNCISNOPHMAX-ZIAGYGMSSA-N 1 0 290.363 3.272 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000126154517 187221298 /nfs/dbraw/zinc/22/12/98/187221298.db2.gz VFPGPZCFFADWAU-QWHCGFSZSA-N 1 0 292.379 3.369 20 5 CGBDRO CCc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000449346699 529655145 /nfs/dbraw/zinc/65/51/45/529655145.db2.gz CFBFMWSGJFOLKI-LBPRGKRZSA-N 1 0 285.347 3.403 20 5 CGBDRO Cc1cccnc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000295011862 199298966 /nfs/dbraw/zinc/29/89/66/199298966.db2.gz MEMKDRUWHICKRM-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO CC(C)([NH2+]CCC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000592123081 346964974 /nfs/dbraw/zinc/96/49/74/346964974.db2.gz UUKGHMOGJFEEHL-ZDUSSCGKSA-N 1 0 292.379 3.236 20 5 CGBDRO C[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)F ZINC000592372577 346979460 /nfs/dbraw/zinc/97/94/60/346979460.db2.gz NIDIEXOGCXTYNC-DUMNWFOQSA-N 1 0 284.306 3.489 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592372486 346979759 /nfs/dbraw/zinc/97/97/59/346979759.db2.gz AGBKFDOSPHEEIG-VIFPVBQESA-N 1 0 272.295 3.284 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@@H]1C ZINC000592397043 346983823 /nfs/dbraw/zinc/98/38/23/346983823.db2.gz CDGMXTKULFWEDB-YRGRVCCFSA-N 1 0 294.420 3.400 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1OCc1ccc2c(c1)C[NH2+]CC2 ZINC000593012981 347027288 /nfs/dbraw/zinc/02/72/88/347027288.db2.gz BGUZJFWEAUUTEU-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO CC[C@H]1COC(C)(C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593056408 347033822 /nfs/dbraw/zinc/03/38/22/347033822.db2.gz IAHZXHYLXKLQHW-AWEZNQCLSA-N 1 0 292.379 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCCCCC2)cc1 ZINC000038079422 344954675 /nfs/dbraw/zinc/95/46/75/344954675.db2.gz OJYUQNQVHKFPIA-UHFFFAOYSA-N 1 0 278.352 3.286 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000054389530 345134643 /nfs/dbraw/zinc/13/46/43/345134643.db2.gz SIONDPQREHPCNI-VIFPVBQESA-N 1 0 297.405 3.433 20 5 CGBDRO CC(C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000057838440 345189093 /nfs/dbraw/zinc/18/90/93/345189093.db2.gz QIOJCVFLAQUZAK-UHFFFAOYSA-N 1 0 297.786 3.215 20 5 CGBDRO CC1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000058563846 345196845 /nfs/dbraw/zinc/19/68/45/345196845.db2.gz GUUAABMYFCPGIU-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000064629192 345262698 /nfs/dbraw/zinc/26/26/98/345262698.db2.gz BEQZGLPHBKXXKV-UHFFFAOYSA-N 1 0 299.374 3.443 20 5 CGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000064916292 345266780 /nfs/dbraw/zinc/26/67/80/345266780.db2.gz VXNGHEUDAMFXFK-UHFFFAOYSA-N 1 0 285.347 3.139 20 5 CGBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000065222886 345269767 /nfs/dbraw/zinc/26/97/67/345269767.db2.gz CSNYSGHKRXMHIR-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)Cc1cccc(O)c1 ZINC000080920322 345689407 /nfs/dbraw/zinc/68/94/07/345689407.db2.gz YXHLLRXKRLQLKC-LBPRGKRZSA-N 1 0 286.331 3.493 20 5 CGBDRO CCC[C@@H]([NH2+]CC1(O)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087016195 345752208 /nfs/dbraw/zinc/75/22/08/345752208.db2.gz SMPYXHWOMFORSZ-OAHLLOKOSA-N 1 0 292.379 3.331 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000090857066 345796009 /nfs/dbraw/zinc/79/60/09/345796009.db2.gz PWCXIOPVALNVIV-WHOFXGATSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910038 345796951 /nfs/dbraw/zinc/79/69/51/345796951.db2.gz XJONSFFTWCONSF-NEPJUHHUSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000096610353 345903709 /nfs/dbraw/zinc/90/37/09/345903709.db2.gz VWIIGIHNYQKAKI-LLVKDONJSA-N 1 0 250.342 3.367 20 5 CGBDRO CC[C@@H](COC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000120203783 345996649 /nfs/dbraw/zinc/99/66/49/345996649.db2.gz VYQJGZZPQGTQDR-ZDUSSCGKSA-N 1 0 280.368 3.233 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121429344 346001988 /nfs/dbraw/zinc/00/19/88/346001988.db2.gz VJGRRHHGQXVRHE-IVMMDQJWSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000402065314 346593759 /nfs/dbraw/zinc/59/37/59/346593759.db2.gz GYRUYGBSLBFRSP-STQMWFEESA-N 1 0 278.352 3.062 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cs1 ZINC000403390593 346596794 /nfs/dbraw/zinc/59/67/94/346596794.db2.gz HJKSICDTHZFIBP-JLLWLGSASA-N 1 0 266.366 3.182 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](OC3CCC3)C2)c1 ZINC000594026536 347139184 /nfs/dbraw/zinc/13/91/84/347139184.db2.gz LPQZASZMFMFYHK-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594045548 347144185 /nfs/dbraw/zinc/14/41/85/347144185.db2.gz ZJPNFGHMOVYGIZ-HIFRSBDPSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1cnc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c(C)c1 ZINC000594523513 347189794 /nfs/dbraw/zinc/18/97/94/347189794.db2.gz YIHQRAVYEJYMBD-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594601948 347199755 /nfs/dbraw/zinc/19/97/55/347199755.db2.gz PWXOVTMPYACNHR-ZYHUDNBSSA-N 1 0 281.381 3.085 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC(F)(F)C1 ZINC000594498704 347179165 /nfs/dbraw/zinc/17/91/65/347179165.db2.gz TVUYZQVJAZPGGD-SKDRFNHKSA-N 1 0 282.290 3.360 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000594516808 347186313 /nfs/dbraw/zinc/18/63/13/347186313.db2.gz FVGYNLOPGRZJHV-AULYBMBSSA-N 1 0 296.342 3.170 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(N)c1 ZINC000594735207 347215023 /nfs/dbraw/zinc/21/50/23/347215023.db2.gz HTKRAYVYECELFS-CYBMUJFWSA-N 1 0 299.374 3.288 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000595303704 347289150 /nfs/dbraw/zinc/28/91/50/347289150.db2.gz BVIHENVQAZNJGT-CYBMUJFWSA-N 1 0 264.300 3.108 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000595306057 347290235 /nfs/dbraw/zinc/29/02/35/347290235.db2.gz GWGOKVWWQMOPBD-CQSZACIVSA-N 1 0 278.327 3.498 20 5 CGBDRO Cc1noc(C[N@H+]2CCC[C@@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000595325763 347292133 /nfs/dbraw/zinc/29/21/33/347292133.db2.gz WQJNJYVZVIKCNN-GFCCVEGCSA-N 1 0 281.356 3.149 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)C(F)F ZINC000595033798 347264000 /nfs/dbraw/zinc/26/40/00/347264000.db2.gz DATHYCMGTOBQSW-SNVBAGLBSA-N 1 0 286.322 3.407 20 5 CGBDRO CCCN1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096820 347282622 /nfs/dbraw/zinc/28/26/22/347282622.db2.gz MLILFRNFSCCVBJ-ZIAGYGMSSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595755546 347350875 /nfs/dbraw/zinc/35/08/75/347350875.db2.gz NTHUUJDXKQGJMM-GFCCVEGCSA-N 1 0 266.316 3.166 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](CCF)C1 ZINC000595757135 347351256 /nfs/dbraw/zinc/35/12/56/347351256.db2.gz ZYJMPAOLTLHCHH-CYBMUJFWSA-N 1 0 296.342 3.045 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440741 347303696 /nfs/dbraw/zinc/30/36/96/347303696.db2.gz GTBIEDRJKVXHSW-GXFFZTMASA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1noc(C[NH2+][C@H]2CCCCC23CCCC3)c1[N+](=O)[O-] ZINC000595491145 347311740 /nfs/dbraw/zinc/31/17/40/347311740.db2.gz BLRAECCTFIMXIP-ZDUSSCGKSA-N 1 0 293.367 3.484 20 5 CGBDRO Cc1cc(NC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596277283 347409542 /nfs/dbraw/zinc/40/95/42/347409542.db2.gz IVEOJQDDQRMNKQ-UHFFFAOYSA-N 1 0 283.397 3.249 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1OCc1cccc2c1CC[NH2+]C2 ZINC000596070690 347379899 /nfs/dbraw/zinc/37/98/99/347379899.db2.gz IQMRYPLDVRGACR-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO C[C@H](CCNc1ccc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000596427985 347455228 /nfs/dbraw/zinc/45/52/28/347455228.db2.gz CNZFDLNVYHNTEZ-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(N)c2)cccc1[N+](=O)[O-] ZINC000596650241 347498321 /nfs/dbraw/zinc/49/83/21/347498321.db2.gz KGJYSKVSVLQGBS-GFCCVEGCSA-N 1 0 285.347 3.336 20 5 CGBDRO O=[N+]([O-])c1sccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596561927 347479678 /nfs/dbraw/zinc/47/96/78/347479678.db2.gz IINDRKJJXWOCDB-UHFFFAOYSA-N 1 0 295.408 3.190 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000351845552 219223812 /nfs/dbraw/zinc/22/38/12/219223812.db2.gz TZKSFSSFRPVNFI-CQSZACIVSA-N 1 0 284.306 3.493 20 5 CGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000598994638 347705145 /nfs/dbraw/zinc/70/51/45/347705145.db2.gz DWAHHDJBULIXSP-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO Cc1csc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000599040361 347708656 /nfs/dbraw/zinc/70/86/56/347708656.db2.gz DDLQHDJONGABJV-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000599086167 347715675 /nfs/dbraw/zinc/71/56/75/347715675.db2.gz ZAWDLOFVRTVOJI-DETPVDSQSA-N 1 0 290.363 3.121 20 5 CGBDRO C/C=C/C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599084904 347715680 /nfs/dbraw/zinc/71/56/80/347715680.db2.gz UOZHTMDYKQWLDP-JHJUWLLWSA-N 1 0 274.364 3.472 20 5 CGBDRO Cc1cc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])ccn1 ZINC000598618264 347671645 /nfs/dbraw/zinc/67/16/45/347671645.db2.gz NOJUUUDZFVFANN-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599139358 347720480 /nfs/dbraw/zinc/72/04/80/347720480.db2.gz MZFGBTTUKQYTKU-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1Cc2ccc(O)cc2C1 ZINC000599538529 347752791 /nfs/dbraw/zinc/75/27/91/347752791.db2.gz OGRSSIMVXZCJCW-LLVKDONJSA-N 1 0 284.315 3.377 20 5 CGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000599597336 347757578 /nfs/dbraw/zinc/75/75/78/347757578.db2.gz SMHSSLULGVFVLO-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO COc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601268108 347887145 /nfs/dbraw/zinc/88/71/45/347887145.db2.gz JYTRYPVGITYQMN-KRWDZBQOSA-N 1 0 298.342 3.381 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3ncccc32)c1 ZINC000601272589 347887282 /nfs/dbraw/zinc/88/72/82/347887282.db2.gz HVRQDQSDIOCIQU-QGZVFWFLSA-N 1 0 297.358 3.200 20 5 CGBDRO CC(C)(F)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601287834 347888812 /nfs/dbraw/zinc/88/88/12/347888812.db2.gz MUGZRZSFFITKIO-ZDUSSCGKSA-N 1 0 266.316 3.310 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)F)cc1[N+](=O)[O-] ZINC000601288481 347888963 /nfs/dbraw/zinc/88/89/63/347888963.db2.gz YUGICGDGBBKOQH-JTQLQIEISA-N 1 0 284.331 3.392 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000601289851 347889401 /nfs/dbraw/zinc/88/94/01/347889401.db2.gz UVAZWYMMBFBPPW-TZMCWYRMSA-N 1 0 280.368 3.105 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCF ZINC000602568849 347984174 /nfs/dbraw/zinc/98/41/74/347984174.db2.gz NOKDGLFJTBEKSP-UHFFFAOYSA-N 1 0 280.221 3.063 20 5 CGBDRO C[C@H](F)CC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602675565 348006626 /nfs/dbraw/zinc/00/66/26/348006626.db2.gz MGQDTASFTUZKDK-QMMMGPOBSA-N 1 0 294.248 3.451 20 5 CGBDRO CC[C@@H](C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602707476 348014261 /nfs/dbraw/zinc/01/42/61/348014261.db2.gz AZUWCICFSCGDRG-SNVBAGLBSA-N 1 0 277.324 3.262 20 5 CGBDRO CC(C)[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555190 347981502 /nfs/dbraw/zinc/98/15/02/347981502.db2.gz DNKCHQBFSCDSKC-JTQLQIEISA-N 1 0 277.324 3.118 20 5 CGBDRO CC[C@@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000602803639 348031351 /nfs/dbraw/zinc/03/13/51/348031351.db2.gz DUXCODBZWSGHFS-CQSZACIVSA-N 1 0 294.399 3.048 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@H](C)C1CCCCC1 ZINC000602825356 348033991 /nfs/dbraw/zinc/03/39/91/348033991.db2.gz SEPCNYTWBOLKLD-GFCCVEGCSA-N 1 0 294.399 3.000 20 5 CGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609767080 348352077 /nfs/dbraw/zinc/35/20/77/348352077.db2.gz MGEMURZLUCVFNR-AWEZNQCLSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)c(F)c1 ZINC000610476530 348384703 /nfs/dbraw/zinc/38/47/03/348384703.db2.gz FHHNUAZOSMGDDY-AWEZNQCLSA-N 1 0 264.300 3.108 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000610687113 348396881 /nfs/dbraw/zinc/39/68/81/348396881.db2.gz XAIFYLLFARUOGQ-NSHDSACASA-N 1 0 283.397 3.046 20 5 CGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515327 348458241 /nfs/dbraw/zinc/45/82/41/348458241.db2.gz JGQQXQJDRAHFTG-KGLIPLIRSA-N 1 0 292.379 3.323 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941924 348482194 /nfs/dbraw/zinc/48/21/94/348482194.db2.gz FCGUOEMCDVHKLB-CHWSQXEVSA-N 1 0 278.352 3.157 20 5 CGBDRO CC(C)OCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000612610550 348534434 /nfs/dbraw/zinc/53/44/34/348534434.db2.gz QJEOAJYHIVDEBW-UHFFFAOYSA-N 1 0 280.368 3.233 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCO1 ZINC000615722598 348761783 /nfs/dbraw/zinc/76/17/83/348761783.db2.gz QCFFWZJRKLOICY-QSOAKEGCSA-N 1 0 290.363 3.157 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000339528216 215230083 /nfs/dbraw/zinc/23/00/83/215230083.db2.gz HHWQJEWSUDHWQW-INIZCTEOSA-N 1 0 292.379 3.233 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000339539585 215236852 /nfs/dbraw/zinc/23/68/52/215236852.db2.gz MUXQHQYCALDLJV-OAHLLOKOSA-N 1 0 294.395 3.357 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCSC1 ZINC000271523911 191190446 /nfs/dbraw/zinc/19/04/46/191190446.db2.gz QXIVHSRBFOOKKL-YPMHNXCESA-N 1 0 280.393 3.011 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCCOC(C)C)cccc1[N+](=O)[O-] ZINC000154940036 188172176 /nfs/dbraw/zinc/17/21/76/188172176.db2.gz UDSWIYQBTBLRAU-CYBMUJFWSA-N 1 0 280.368 3.369 20 5 CGBDRO CCOCC[N@H+](CC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000157559008 188325235 /nfs/dbraw/zinc/32/52/35/188325235.db2.gz JFTOTFPFTNCTGC-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000414348001 235392936 /nfs/dbraw/zinc/39/29/36/235392936.db2.gz WKKHLRQRASNMBX-BFHYXJOUSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000341421945 215964751 /nfs/dbraw/zinc/96/47/51/215964751.db2.gz WSVNCANCTUTAGE-NSHDSACASA-N 1 0 283.347 3.122 20 5 CGBDRO C[NH+](C)CCc1ccc(CNc2ccc([N+](=O)[O-])cc2)cc1 ZINC000341524948 216001618 /nfs/dbraw/zinc/00/16/18/216001618.db2.gz CKOQFFXHRVKNQC-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC(F)(F)CC2)cs1 ZINC000341719832 216078150 /nfs/dbraw/zinc/07/81/50/216078150.db2.gz XBYVDQVCTGAGET-UHFFFAOYSA-N 1 0 276.308 3.324 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]C2CCCCC2)c(F)c1 ZINC000301104627 200917114 /nfs/dbraw/zinc/91/71/14/200917114.db2.gz VFQRABPTNRPCBT-UHFFFAOYSA-N 1 0 295.358 3.458 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000181813285 189307537 /nfs/dbraw/zinc/30/75/37/189307537.db2.gz FXBGWFKJJYHULS-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1cncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000181832312 189307812 /nfs/dbraw/zinc/30/78/12/189307812.db2.gz KCMKLAIXPLNDPT-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000301517952 201040845 /nfs/dbraw/zinc/04/08/45/201040845.db2.gz DGYPEZQSPQDBHA-CQSZACIVSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000342329269 216313459 /nfs/dbraw/zinc/31/34/59/216313459.db2.gz HTFCRTALXFPPFT-QWRGUYRKSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000182771529 189334107 /nfs/dbraw/zinc/33/41/07/189334107.db2.gz ACUQHHBQUZXZGH-KBPBESRZSA-N 1 0 292.379 3.323 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000182996675 189342247 /nfs/dbraw/zinc/34/22/47/189342247.db2.gz ZENWBEDBHXUAAK-ZDUSSCGKSA-N 1 0 292.379 3.323 20 5 CGBDRO C[NH+](C)CC1(CNc2cccc(F)c2[N+](=O)[O-])CCCC1 ZINC000302143669 201363802 /nfs/dbraw/zinc/36/38/02/201363802.db2.gz GJTGCTLMGKNBJY-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000451102171 240217193 /nfs/dbraw/zinc/21/71/93/240217193.db2.gz HXWHXNXJYLNIGP-ZDUSSCGKSA-N 1 0 285.347 3.273 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000453391567 240904543 /nfs/dbraw/zinc/90/45/43/240904543.db2.gz YETQRPOJESCKOM-KGLIPLIRSA-N 1 0 292.379 3.371 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000275882580 193155092 /nfs/dbraw/zinc/15/50/92/193155092.db2.gz QOSHPMCOWWTVIH-TYNCELHUSA-N 1 0 278.352 3.013 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(C)c1O ZINC000037668351 369098994 /nfs/dbraw/zinc/09/89/94/369098994.db2.gz RYMRSOCZDCQORN-UHFFFAOYSA-N 1 0 286.331 3.207 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738474 369101737 /nfs/dbraw/zinc/10/17/37/369101737.db2.gz NMNNHYURAIPRBE-WFASDCNBSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccccc1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037719134 369101964 /nfs/dbraw/zinc/10/19/64/369101964.db2.gz CUBILBALHDUXMS-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042814401 369233729 /nfs/dbraw/zinc/23/37/29/369233729.db2.gz ZSPMSZGSXAFNJN-TZMCWYRMSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@H](C[NH+]1CCCCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000049502144 369405630 /nfs/dbraw/zinc/40/56/30/369405630.db2.gz GFROFQZSNXPQAO-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO COc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000051157407 369446388 /nfs/dbraw/zinc/44/63/88/369446388.db2.gz NTGHIOABTYAMAI-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)cc1[N+](=O)[O-] ZINC000129501428 370989855 /nfs/dbraw/zinc/98/98/55/370989855.db2.gz FASFGGDGEBYPKY-MRXNPFEDSA-N 1 0 292.379 3.065 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090716394 370065724 /nfs/dbraw/zinc/06/57/24/370065724.db2.gz CRYMHVLGJFBHPU-HOTGVXAUSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+]CCOC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111634671 370402561 /nfs/dbraw/zinc/40/25/61/370402561.db2.gz VVDABMHJLCWTBT-GFCCVEGCSA-N 1 0 278.352 3.205 20 5 CGBDRO CS[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000117394331 370589775 /nfs/dbraw/zinc/58/97/75/370589775.db2.gz CLVIWWDKBJCFFR-TZMCWYRMSA-N 1 0 280.393 3.359 20 5 CGBDRO Cc1ccc([C@H](C)N[C@@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139028970 371506229 /nfs/dbraw/zinc/50/62/29/371506229.db2.gz GNDLIFBAONYGRM-QWRGUYRKSA-N 1 0 274.324 3.038 20 5 CGBDRO CSC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151001133 371557504 /nfs/dbraw/zinc/55/75/04/371557504.db2.gz RPTUKWSWWRGASL-GXSJLCMTSA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290205922 371933370 /nfs/dbraw/zinc/93/33/70/371933370.db2.gz PLWVFCUFYCFPKJ-WFASDCNBSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159418377 372141231 /nfs/dbraw/zinc/14/12/31/372141231.db2.gz AGSBSRKFOGOBSO-CJNGLKHVSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000429307328 372348284 /nfs/dbraw/zinc/34/82/84/372348284.db2.gz HSWKUZDSELADKK-RISCZKNCSA-N 1 0 298.342 3.118 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)cc1[N+](=O)[O-] ZINC000344388087 217178089 /nfs/dbraw/zinc/17/80/89/217178089.db2.gz GHPOAZWPZGMNHQ-BLLLJJGKSA-N 1 0 292.379 3.375 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000293711698 372457819 /nfs/dbraw/zinc/45/78/19/372457819.db2.gz PTODJFXCNYZSSQ-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000163287017 372460247 /nfs/dbraw/zinc/46/02/47/372460247.db2.gz UEHKLRQONREITL-VIFPVBQESA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1ccccc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293820616 372492647 /nfs/dbraw/zinc/49/26/47/372492647.db2.gz RZZXYXMJFUKOFT-GFCCVEGCSA-N 1 0 285.347 3.336 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295497937 372803349 /nfs/dbraw/zinc/80/33/49/372803349.db2.gz NQSMOQXOGZBUPW-QWHCGFSZSA-N 1 0 292.379 3.139 20 5 CGBDRO COCCC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344715548 217286189 /nfs/dbraw/zinc/28/61/89/217286189.db2.gz YAANUNZZWPQMRW-SOFGYWHQSA-N 1 0 278.352 3.013 20 5 CGBDRO Cc1cccc(NC2CC[NH+](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000295932299 372964775 /nfs/dbraw/zinc/96/47/75/372964775.db2.gz HGEUDVLMPACBGF-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000295916601 372957709 /nfs/dbraw/zinc/95/77/09/372957709.db2.gz FBOLDOHJVQOWJK-NEPJUHHUSA-N 1 0 288.351 3.223 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000173371800 373131626 /nfs/dbraw/zinc/13/16/26/373131626.db2.gz GXJBJUKZPZVKRV-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO COc1ccc(C[N@@H+]2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000444776474 373272289 /nfs/dbraw/zinc/27/22/89/373272289.db2.gz CGKXVUACSOYKDA-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000444826848 373280003 /nfs/dbraw/zinc/28/00/03/373280003.db2.gz IQHIYDZTNZRDMW-QWRGUYRKSA-N 1 0 297.786 3.451 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000300636393 373638280 /nfs/dbraw/zinc/63/82/80/373638280.db2.gz LJDOAAHNNWSCDE-OLZOCXBDSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1cc(NCC[N@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000301108335 373663099 /nfs/dbraw/zinc/66/30/99/373663099.db2.gz QMJFKFJLVPDDLK-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO CS[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449445158 373722599 /nfs/dbraw/zinc/72/25/99/373722599.db2.gz HEHMEBHCMKBTTN-PINLSGDHSA-N 1 0 292.404 3.435 20 5 CGBDRO CC[C@](C)(C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000449478111 373764974 /nfs/dbraw/zinc/76/49/74/373764974.db2.gz QSJQKYNYPNMMNH-LRFDDAOPSA-N 1 0 292.379 3.403 20 5 CGBDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000449492470 373784900 /nfs/dbraw/zinc/78/49/00/373784900.db2.gz JKJZZEZIOFUORV-WCQYABFASA-N 1 0 298.408 3.197 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449761541 373890228 /nfs/dbraw/zinc/89/02/28/373890228.db2.gz YMGXDKGPZQRIGC-LYASGUKUSA-N 1 0 290.363 3.109 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1cccnc1)C1CC1 ZINC000179241321 373848849 /nfs/dbraw/zinc/84/88/49/373848849.db2.gz RGGPNLCZOQZFBD-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000305842843 374119191 /nfs/dbraw/zinc/11/91/91/374119191.db2.gz RQDLPMYGDDOAJR-BFHYXJOUSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1[N+](=O)[O-] ZINC000248066005 189944277 /nfs/dbraw/zinc/94/42/77/189944277.db2.gz MGBFPMKHYSSWJH-QEJZJMRPSA-N 1 0 292.379 3.105 20 5 CGBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000313508796 374302166 /nfs/dbraw/zinc/30/21/66/374302166.db2.gz LRIFQONWGGBVQX-UHFFFAOYSA-N 1 0 298.383 3.451 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000331161070 374510395 /nfs/dbraw/zinc/51/03/95/374510395.db2.gz LBDIGSMVPISYPJ-GFCCVEGCSA-N 1 0 278.352 3.368 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331544961 374540979 /nfs/dbraw/zinc/54/09/79/374540979.db2.gz SOPHVQSQQZYUBU-GHMZBOCLSA-N 1 0 288.351 3.092 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000465051029 374929942 /nfs/dbraw/zinc/92/99/42/374929942.db2.gz OEXUENQZLGLGPR-AWEZNQCLSA-N 1 0 291.395 3.293 20 5 CGBDRO C[C@H]([NH2+]C/C=C\c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000487553650 375253262 /nfs/dbraw/zinc/25/32/62/375253262.db2.gz RJEMFHDOVPPNJQ-ZFDPJTLLSA-N 1 0 283.331 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189159570 375333429 /nfs/dbraw/zinc/33/34/29/375333429.db2.gz RPLNVZJWETWNSN-CQSZACIVSA-N 1 0 260.337 3.407 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CC[C@@H]1CCCO1)C1CC1 ZINC000189731850 375440136 /nfs/dbraw/zinc/44/01/36/375440136.db2.gz ZUWNRSLWWRNYLL-HNNXBMFYSA-N 1 0 290.363 3.128 20 5 CGBDRO CCC1(CC)CCC[N@H+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000190411513 375505952 /nfs/dbraw/zinc/50/59/52/375505952.db2.gz KJNRPWGLBVHTSV-UHFFFAOYSA-N 1 0 294.399 3.084 20 5 CGBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OCC)C1CC1 ZINC000507233678 375691341 /nfs/dbraw/zinc/69/13/41/375691341.db2.gz QQNPAYAIMNDAKS-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336809761 375961845 /nfs/dbraw/zinc/96/18/45/375961845.db2.gz GGMBEXWOYPGUGT-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336850505 376011589 /nfs/dbraw/zinc/01/15/89/376011589.db2.gz XVFWIUCVZHGJMS-CVEARBPZSA-N 1 0 292.379 3.187 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000536682448 376120911 /nfs/dbraw/zinc/12/09/11/376120911.db2.gz PLABYGUNDSFHKX-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000539061766 376290252 /nfs/dbraw/zinc/29/02/52/376290252.db2.gz XMZPGINEZCTJCT-FRRDWIJNSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] ZINC000540327666 376370681 /nfs/dbraw/zinc/37/06/81/376370681.db2.gz QGVWZQOPUZMNTI-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO Cc1ccc(NCCC[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000229325623 376461813 /nfs/dbraw/zinc/46/18/13/376461813.db2.gz QWFWDBKWMUTPDQ-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000231690248 376566780 /nfs/dbraw/zinc/56/67/80/376566780.db2.gz ANLGJZXFLZRHRQ-IACUBPJLSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000542318549 376534121 /nfs/dbraw/zinc/53/41/21/376534121.db2.gz UQHNGMYAJRIEPS-ZDUSSCGKSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000231750799 376570978 /nfs/dbraw/zinc/57/09/78/376570978.db2.gz UUFGRNHMBWYBJX-LURJTMIESA-N 1 0 268.260 3.087 20 5 CGBDRO CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000558251448 376988909 /nfs/dbraw/zinc/98/89/09/376988909.db2.gz VUQMPVRIGFMSRS-CABCVRRESA-N 1 0 292.379 3.388 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000340472052 377083201 /nfs/dbraw/zinc/08/32/01/377083201.db2.gz ZNVTVKRMZGSJSE-QWRGUYRKSA-N 1 0 284.331 3.392 20 5 CGBDRO C[C@@H]([N@H+](C)CCOc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177216601 249053250 /nfs/dbraw/zinc/05/32/50/249053250.db2.gz AKJIOWVVXIHMTO-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573862007 377585226 /nfs/dbraw/zinc/58/52/26/377585226.db2.gz AXSOPOQVSTZSIK-MRXNPFEDSA-N 1 0 297.358 3.118 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255424225 377757692 /nfs/dbraw/zinc/75/76/92/377757692.db2.gz NGZXHJFRAWOTEH-WFMXKNRHSA-N 1 0 260.337 3.481 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C1 ZINC000261469561 377813761 /nfs/dbraw/zinc/81/37/61/377813761.db2.gz UDMIRIKZHBTJTC-GFCCVEGCSA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651724 378249009 /nfs/dbraw/zinc/24/90/09/378249009.db2.gz MOEZQFIUOHDSCS-GJZGRUSLSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC(CC)[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000580738339 378254381 /nfs/dbraw/zinc/25/43/81/378254381.db2.gz IHEIXFYFQCXZJG-UHFFFAOYSA-N 1 0 280.368 3.484 20 5 CGBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000270868083 378407846 /nfs/dbraw/zinc/40/78/46/378407846.db2.gz AZRHKDPAUXZHBX-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000271944603 378525129 /nfs/dbraw/zinc/52/51/29/378525129.db2.gz WPPMIXIHYQQIPS-ZOWXZIJZSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272000229 378542412 /nfs/dbraw/zinc/54/24/12/378542412.db2.gz NTSZAASEMWWCBD-GOEBONIOSA-N 1 0 292.379 3.278 20 5 CGBDRO COC1(C)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272481261 378648538 /nfs/dbraw/zinc/64/85/38/378648538.db2.gz MCYTYZPHOQOMSB-ZDUSSCGKSA-N 1 0 292.379 3.465 20 5 CGBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235122 378855015 /nfs/dbraw/zinc/85/50/15/378855015.db2.gz BPQNRIWRUDSKNU-BXKDBHETSA-N 1 0 288.269 3.368 20 5 CGBDRO C[N@@H+](C/C=C/c1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000348675042 379014179 /nfs/dbraw/zinc/01/41/79/379014179.db2.gz PLOTVQUFDWVBFV-SNAWJCMRSA-N 1 0 297.358 3.178 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000349250613 379206277 /nfs/dbraw/zinc/20/62/77/379206277.db2.gz YMCCGGZHXAMIFI-NSHDSACASA-N 1 0 296.367 3.069 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000373680894 379317747 /nfs/dbraw/zinc/31/77/47/379317747.db2.gz LIODCMLVJJFMIT-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000278989226 379409453 /nfs/dbraw/zinc/40/94/53/379409453.db2.gz DOXRYBMRLAVOLK-OAHLLOKOSA-N 1 0 290.363 3.086 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000279628690 379476457 /nfs/dbraw/zinc/47/64/57/379476457.db2.gz HPTDHONSAYEASS-WHWKNOJMSA-N 1 0 290.363 3.109 20 5 CGBDRO COc1cc(C[N@H+](C)CC2CCCC2)ccc1[N+](=O)[O-] ZINC000352417491 379806780 /nfs/dbraw/zinc/80/67/80/379806780.db2.gz PVVYSROERMDUNW-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352545640 379853505 /nfs/dbraw/zinc/85/35/05/379853505.db2.gz KVIKYDHOOYUTPN-HNNXBMFYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000352694254 379912599 /nfs/dbraw/zinc/91/25/99/379912599.db2.gz VGVYKQRAWVQSQT-SNVBAGLBSA-N 1 0 278.327 3.497 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000352611623 379876831 /nfs/dbraw/zinc/87/68/31/379876831.db2.gz IWUOISCEDIBIMS-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000388248401 379881702 /nfs/dbraw/zinc/88/17/02/379881702.db2.gz UZIKCQRMWPBLJA-RWSFTLGLSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1ccc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000388809239 379889120 /nfs/dbraw/zinc/88/91/20/379889120.db2.gz QEJBRBRIRTXZDF-LBPRGKRZSA-N 1 0 265.357 3.044 20 5 CGBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000352847486 380002647 /nfs/dbraw/zinc/00/26/47/380002647.db2.gz CXKKXNSGTNWTTM-HOCLYGCPSA-N 1 0 292.379 3.136 20 5 CGBDRO CC[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000267882010 190360518 /nfs/dbraw/zinc/36/05/18/190360518.db2.gz OUHHIEIBEPXWIL-UHFFFAOYSA-N 1 0 271.320 3.012 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000283582614 380074658 /nfs/dbraw/zinc/07/46/58/380074658.db2.gz RIZPWKDOZIQQOB-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1cccc(CCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000352921505 380039793 /nfs/dbraw/zinc/03/97/93/380039793.db2.gz JGHDRXQEQKYICB-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000286303447 380191097 /nfs/dbraw/zinc/19/10/97/380191097.db2.gz VSPVYSYIPJZHLB-JSGCOSHPSA-N 1 0 298.383 3.498 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985877 380265075 /nfs/dbraw/zinc/26/50/75/380265075.db2.gz FNTPATXWSGMPGU-XJKSGUPXSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)c(Cl)c1 ZINC000414583450 380329523 /nfs/dbraw/zinc/32/95/23/380329523.db2.gz MBMGJCWBNUJSCH-DGCLKSJQSA-N 1 0 292.722 3.487 20 5 CGBDRO COC1CCC(C)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000355132882 380591401 /nfs/dbraw/zinc/59/14/01/380591401.db2.gz APKKTCUVMYHVLN-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO C[C@@H](O)CCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417330369 380594853 /nfs/dbraw/zinc/59/48/53/380594853.db2.gz KUQCTXDBVDRHHH-MLGOLLRUSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000421394235 380943698 /nfs/dbraw/zinc/94/36/98/380943698.db2.gz XMBPGMPQYANUQF-SJKUQHEZSA-N 1 0 290.363 3.155 20 5 CGBDRO CC[NH+](CC)CCSc1ccc(F)cc1[N+](=O)[O-] ZINC000360246044 381496513 /nfs/dbraw/zinc/49/65/13/381496513.db2.gz SAFLIRGQESNWLF-UHFFFAOYSA-N 1 0 272.345 3.168 20 5 CGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCC3CCCC3)CC2)n1 ZINC000370060650 382413441 /nfs/dbraw/zinc/41/34/41/382413441.db2.gz QDLOMLIRFAZTID-UHFFFAOYSA-N 1 0 292.383 3.009 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000366272588 533026661 /nfs/dbraw/zinc/02/66/61/533026661.db2.gz QTTHHWGFWYYCBB-INIZCTEOSA-N 1 0 292.379 3.294 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000160434294 285123343 /nfs/dbraw/zinc/12/33/43/285123343.db2.gz SPLYJJFXTVSZEU-MRXNPFEDSA-N 1 0 289.379 3.050 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccccn1 ZINC000350350854 219009585 /nfs/dbraw/zinc/00/95/85/219009585.db2.gz GYUBLEGEUUPZKZ-SOFGYWHQSA-N 1 0 283.331 3.135 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCSC1)CCC2 ZINC000408366466 285144548 /nfs/dbraw/zinc/14/45/48/285144548.db2.gz OLSYYQXNRPKBFF-WFASDCNBSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCCCO2)C2CC2)c1 ZINC000153282889 285153268 /nfs/dbraw/zinc/15/32/68/285153268.db2.gz RAXZPFDKZVCXTG-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000281687922 195338027 /nfs/dbraw/zinc/33/80/27/195338027.db2.gz PCIAVDNLQYCSAU-GFCCVEGCSA-N 1 0 284.306 3.428 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000281912823 195431165 /nfs/dbraw/zinc/43/11/65/195431165.db2.gz AAZCHRQEALSPQB-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO C[N@H+](CCc1ccccc1F)Cc1ccccc1[N+](=O)[O-] ZINC000068862702 392168391 /nfs/dbraw/zinc/16/83/91/392168391.db2.gz JRZNPYLJJHFHKM-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000222231650 130789296 /nfs/dbraw/zinc/78/92/96/130789296.db2.gz XJYSHXUAZNPRGY-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO CCCO[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000108391665 392342323 /nfs/dbraw/zinc/34/23/23/392342323.db2.gz GPTFSTXFPXVGLT-ZDUSSCGKSA-N 1 0 298.408 3.437 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3ccccn3)CC2)c1 ZINC000361955368 392373538 /nfs/dbraw/zinc/37/35/38/392373538.db2.gz OQRQNHJZNRFOBO-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000367079546 392469690 /nfs/dbraw/zinc/46/96/90/392469690.db2.gz GZYYETYDPIPQRD-SWLSCSKDSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000332071365 392697247 /nfs/dbraw/zinc/69/72/47/392697247.db2.gz VROGFCDZFVSFSO-IXPVHAAZSA-N 1 0 292.404 3.456 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180246926 392707436 /nfs/dbraw/zinc/70/74/36/392707436.db2.gz KIXXWOKDQBOKNQ-UWVGGRQHSA-N 1 0 274.324 3.038 20 5 CGBDRO CC/C=C/CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511112183 392828289 /nfs/dbraw/zinc/82/82/89/392828289.db2.gz XWMSFXRTKPAZDB-SNAWJCMRSA-N 1 0 262.353 3.425 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910187 393067424 /nfs/dbraw/zinc/06/74/24/393067424.db2.gz DMEQMUUCCULYCT-OCCSQVGLSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935587 393075286 /nfs/dbraw/zinc/07/52/86/393075286.db2.gz KOKDDOQQGLHIJG-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO CC(C)C1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000467972523 393114244 /nfs/dbraw/zinc/11/42/44/393114244.db2.gz BEKJKXCUBPZWGW-UHFFFAOYSA-N 1 0 262.353 3.162 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000255774200 393133156 /nfs/dbraw/zinc/13/31/56/393133156.db2.gz OSCXCSPUSTYQQV-AGLBCWCQSA-N 1 0 278.377 3.045 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000268990384 393214834 /nfs/dbraw/zinc/21/48/34/393214834.db2.gz RAWITUQYLMHHCH-DOMZBBRYSA-N 1 0 280.368 3.225 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C1CCCC1 ZINC000430215043 393540628 /nfs/dbraw/zinc/54/06/28/393540628.db2.gz BMVQGFREZZHYQA-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO C[NH+](C)C1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420629140 393510767 /nfs/dbraw/zinc/51/07/67/393510767.db2.gz QSOWYKFZYMOGSJ-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO CC[C@@H]1CC[N@@H+]1C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000430185102 393533030 /nfs/dbraw/zinc/53/30/30/393533030.db2.gz CGXIQMYXQQBTFZ-FWLQQBITSA-N 1 0 260.337 3.482 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199447 393538427 /nfs/dbraw/zinc/53/84/27/393538427.db2.gz BTILUBZOXGPUKI-FZMZJTMJSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430284854 393557885 /nfs/dbraw/zinc/55/78/85/393557885.db2.gz POJDIKZABKEXKL-LLVKDONJSA-N 1 0 276.336 3.001 20 5 CGBDRO COc1cc(C[N@H+](C)C2(C)CCCC2)ccc1[N+](=O)[O-] ZINC000489863850 393617550 /nfs/dbraw/zinc/61/75/50/393617550.db2.gz SXRMQJXPDRHLLI-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO COc1cc(C[NH+]2CCC(C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000490093480 393631914 /nfs/dbraw/zinc/63/19/14/393631914.db2.gz YWIBGHXDMOPPAX-UHFFFAOYSA-N 1 0 292.379 3.471 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C1CC1)C1CC1 ZINC000491138578 393667918 /nfs/dbraw/zinc/66/79/18/393667918.db2.gz PGESIBIQFDYYIJ-UHFFFAOYSA-N 1 0 278.327 3.354 20 5 CGBDRO CCOc1cc(C[N@H+](CC)CC(C)C)ccc1[N+](=O)[O-] ZINC000492375661 393725117 /nfs/dbraw/zinc/72/51/17/393725117.db2.gz JOLBGOPQBABUTP-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO C[C@@H]1CC[C@H](C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000453421157 394242105 /nfs/dbraw/zinc/24/21/05/394242105.db2.gz YIPDSAWUWVDGNQ-XFJVYGCCSA-N 1 0 290.363 3.129 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294834054 292066831 /nfs/dbraw/zinc/06/68/31/292066831.db2.gz RJLXOKSDNGWWCS-MNOVXSKESA-N 1 0 295.383 3.031 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092607 397605131 /nfs/dbraw/zinc/60/51/31/397605131.db2.gz PARFKGMRGPWJRV-CABCVRRESA-N 1 0 278.352 3.205 20 5 CGBDRO CC(C)(C)CC[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000518445117 397710681 /nfs/dbraw/zinc/71/06/81/397710681.db2.gz ANGKYCPZRQOYQN-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000287514234 292247870 /nfs/dbraw/zinc/24/78/70/292247870.db2.gz OHZNQQLTSBRMGN-GMXVVIOVSA-N 1 0 280.393 3.305 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C(C)C)C1CCC1 ZINC000119795256 286383709 /nfs/dbraw/zinc/38/37/09/286383709.db2.gz PFQAUSRCCAPBBB-UHFFFAOYSA-N 1 0 278.352 3.366 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCc2ccccc21 ZINC000062726315 286960699 /nfs/dbraw/zinc/96/06/99/286960699.db2.gz JXPGBOVZRRIPAA-INIZCTEOSA-N 1 0 282.343 3.414 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062726411 286960820 /nfs/dbraw/zinc/96/08/20/286960820.db2.gz KKGWASPFVJPXIH-CYBMUJFWSA-N 1 0 250.342 3.162 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCC1 ZINC000075842550 165106316 /nfs/dbraw/zinc/10/63/16/165106316.db2.gz ZXWNDAWOBRZKOO-UHFFFAOYSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081707775 165166826 /nfs/dbraw/zinc/16/68/26/165166826.db2.gz DWVPXEVYANDDOW-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090800871 287104923 /nfs/dbraw/zinc/10/49/23/287104923.db2.gz AQUJBYXWEUDPKA-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO Cc1ccc(C[N@H+]2CC[C@H](OCC(C)C)C2)cc1[N+](=O)[O-] ZINC000091964265 165280573 /nfs/dbraw/zinc/28/05/73/165280573.db2.gz AAAUDNKWKGTGAT-HNNXBMFYSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCc2nccs2)cc1[N+](=O)[O-] ZINC000093843845 165337952 /nfs/dbraw/zinc/33/79/52/165337952.db2.gz GJPFIIVNFJTKGO-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000094472780 165353417 /nfs/dbraw/zinc/35/34/17/165353417.db2.gz XGRGCFRDDTXDLZ-JFGNBEQYSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1ccc(C[NH+]2C[C@@H](C)S[C@H](C)C2)cc1[N+](=O)[O-] ZINC000092540604 287112489 /nfs/dbraw/zinc/11/24/89/287112489.db2.gz PSAGFISYRLUSCY-VXGBXAGGSA-N 1 0 280.393 3.229 20 5 CGBDRO CCOc1cc(N[C@H](C)C[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000111049264 287132870 /nfs/dbraw/zinc/13/28/70/287132870.db2.gz UPVHHGUUPWWKMH-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000114562418 287151853 /nfs/dbraw/zinc/15/18/53/287151853.db2.gz NBCUJJYADRKANW-UHFFFAOYSA-N 1 0 250.342 3.115 20 5 CGBDRO CCC(CC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284293456 196024070 /nfs/dbraw/zinc/02/40/70/196024070.db2.gz YDNPEBMONZGKOZ-VIFPVBQESA-N 1 0 251.330 3.016 20 5 CGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000125631299 287247977 /nfs/dbraw/zinc/24/79/77/287247977.db2.gz DQYVNFZXDRUSMQ-FNORWQNLSA-N 1 0 260.337 3.340 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000020128031 171014521 /nfs/dbraw/zinc/01/45/21/171014521.db2.gz CPNSEGPCFNMGQA-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO CSCCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285225301 196225688 /nfs/dbraw/zinc/22/56/88/196225688.db2.gz PAQMGEUZOYKOTF-NSHDSACASA-N 1 0 297.424 3.361 20 5 CGBDRO C[C@H](c1ccccn1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000128069646 287302896 /nfs/dbraw/zinc/30/28/96/287302896.db2.gz JGIXOVAFIYVHRK-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000070357865 175888303 /nfs/dbraw/zinc/88/83/03/175888303.db2.gz GNUZDPBAFRGJBP-YPMHNXCESA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000134471893 287445074 /nfs/dbraw/zinc/44/50/74/287445074.db2.gz OHYUCQGBIWADNV-MRXNPFEDSA-N 1 0 294.395 3.359 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000036878826 270028310 /nfs/dbraw/zinc/02/83/10/270028310.db2.gz HAAJVWKVSDPENJ-QGZVFWFLSA-N 1 0 282.343 3.414 20 5 CGBDRO C[C@H](SCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000519149927 265337380 /nfs/dbraw/zinc/33/73/80/265337380.db2.gz QCOXDZVAGCWPSO-NSHDSACASA-N 1 0 280.393 3.389 20 5 CGBDRO CC(C)C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000524758459 270114431 /nfs/dbraw/zinc/11/44/31/270114431.db2.gz SQQWWHVNZPBNFS-UHFFFAOYSA-N 1 0 262.353 3.463 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000530756399 270202724 /nfs/dbraw/zinc/20/27/24/270202724.db2.gz FAQBUTWOZYWIKI-QGZVFWFLSA-N 1 0 282.343 3.412 20 5 CGBDRO CC[C@H](COC)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241100 273747841 /nfs/dbraw/zinc/74/78/41/273747841.db2.gz ODXLMOWAMOQODS-ABAIWWIYSA-N 1 0 292.379 3.332 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972756 276012204 /nfs/dbraw/zinc/01/22/04/276012204.db2.gz ORIMDBWAMHIJAS-CJNGLKHVSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)cc1[N+](=O)[O-] ZINC000152876569 276053468 /nfs/dbraw/zinc/05/34/68/276053468.db2.gz UJUAYTDRIJOPCF-XPKDYRNWSA-N 1 0 290.363 3.128 20 5 CGBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000291100526 277774130 /nfs/dbraw/zinc/77/41/30/277774130.db2.gz ZYZLSEGNKXIFOV-CQSZACIVSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000396919005 288018225 /nfs/dbraw/zinc/01/82/25/288018225.db2.gz WXCJFOSVJRTWQX-VIFPVBQESA-N 1 0 276.258 3.273 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000355282561 278353352 /nfs/dbraw/zinc/35/33/52/278353352.db2.gz YYPKSCFFEUXJHX-TZMCWYRMSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000125474955 278362456 /nfs/dbraw/zinc/36/24/56/278362456.db2.gz ARENSMDEGCSWLT-NWDGAFQWSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000355362593 278364799 /nfs/dbraw/zinc/36/47/99/278364799.db2.gz JFQYMDMUOIDTAR-OUCADQQQSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000300412787 288074577 /nfs/dbraw/zinc/07/45/77/288074577.db2.gz VYJKDUQFLZLTHD-ZNMIVQPWSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(F)(F)F ZINC000449254320 279382064 /nfs/dbraw/zinc/38/20/64/279382064.db2.gz XQDUIJGGCIEYGQ-ZJUUUORDSA-N 1 0 290.285 3.456 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccoc1 ZINC000531701920 288341000 /nfs/dbraw/zinc/34/10/00/288341000.db2.gz RCUJOCJZCSMKJB-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724416 288343453 /nfs/dbraw/zinc/34/34/53/288343453.db2.gz PSZILDVUVDTUNM-WBMJQRKESA-N 1 0 292.379 3.451 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000554557470 289292591 /nfs/dbraw/zinc/29/25/91/289292591.db2.gz WTOJEPAPEOETCX-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCOCC2CCC2)cccc1[N+](=O)[O-] ZINC000555242082 289335571 /nfs/dbraw/zinc/33/55/71/289335571.db2.gz JGLXFYWHHHHLRF-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)C1CC1 ZINC000562056694 289671483 /nfs/dbraw/zinc/67/14/83/289671483.db2.gz TYZZMKISTJZIOS-ILXRZTDVSA-N 1 0 292.354 3.396 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000295766063 301787963 /nfs/dbraw/zinc/78/79/63/301787963.db2.gz QOMUGKPMNSUSLT-CIQGVGRVSA-N 1 0 278.352 3.120 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@@H]1C ZINC000563764935 322009199 /nfs/dbraw/zinc/00/91/99/322009199.db2.gz QGGALOLIDYKLEM-GLKRBJQHSA-N 1 0 287.363 3.253 20 5 CGBDRO CC[C@H](COC)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000567368113 322160886 /nfs/dbraw/zinc/16/08/86/322160886.db2.gz LYSHLJRYHZLSOD-CEFACKQISA-N 1 0 278.352 3.013 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570739274 322281197 /nfs/dbraw/zinc/28/11/97/322281197.db2.gz NKJVDWIAQGKBRQ-IIAWOOMASA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000571103075 322289876 /nfs/dbraw/zinc/28/98/76/322289876.db2.gz FMMULAMWPNUSFW-HNNXBMFYSA-N 1 0 283.331 3.075 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219425 322430002 /nfs/dbraw/zinc/43/00/02/322430002.db2.gz MXAQLYKWUDKMPB-AWEZNQCLSA-N 1 0 292.379 3.113 20 5 CGBDRO CC1(C)CC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000575763356 322488657 /nfs/dbraw/zinc/48/86/57/322488657.db2.gz RRTZCDFVMKUKOB-ZDUSSCGKSA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000190286300 328799429 /nfs/dbraw/zinc/79/94/29/328799429.db2.gz AGZUHRPEACLNDH-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000393874178 329091078 /nfs/dbraw/zinc/09/10/78/329091078.db2.gz CRDKZRBTEWQVCN-GXFFZTMASA-N 1 0 280.393 3.448 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1F ZINC000583034032 329305700 /nfs/dbraw/zinc/30/57/00/329305700.db2.gz JCKHJSZDGXWNOR-RWMBFGLXSA-N 1 0 264.300 3.062 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1 ZINC000177549678 335374364 /nfs/dbraw/zinc/37/43/64/335374364.db2.gz VAGZVHOBRKTSQS-ZIAGYGMSSA-N 1 0 260.337 3.217 20 5 CGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CCC1 ZINC000580797973 335968202 /nfs/dbraw/zinc/96/82/02/335968202.db2.gz RUTBNMKZRSYQIG-LLVKDONJSA-N 1 0 287.363 3.397 20 5 CGBDRO Cc1cc(N[C@@H]2CC[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000380341331 335975263 /nfs/dbraw/zinc/97/52/63/335975263.db2.gz YMDKRSYVMVVIME-NOZJJQNGSA-N 1 0 271.320 3.084 20 5 CGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000385419850 336146275 /nfs/dbraw/zinc/14/62/75/336146275.db2.gz ZYZPJIZXTSRCJC-BXUZGUMPSA-N 1 0 266.316 3.258 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000387183825 336187344 /nfs/dbraw/zinc/18/73/44/336187344.db2.gz VPOAVOUQNWZQDR-CQSZACIVSA-N 1 0 260.337 3.326 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccn1 ZINC000449064134 534253943 /nfs/dbraw/zinc/25/39/43/534253943.db2.gz OOMASLXUXPGIQH-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO CCC[C@@H](CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050404154 520686462 /nfs/dbraw/zinc/68/64/62/520686462.db2.gz KAQAYDXTGAIXHS-CYBMUJFWSA-N 1 0 250.342 3.306 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094942065 520788060 /nfs/dbraw/zinc/78/80/60/520788060.db2.gz QRBAQLLKUVLIRR-SWLSCSKDSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1cnc([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449222491 534622017 /nfs/dbraw/zinc/62/20/17/534622017.db2.gz CTBZUKWOUMORBJ-CMPLNLGQSA-N 1 0 289.335 3.173 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000085970881 522615366 /nfs/dbraw/zinc/61/53/66/522615366.db2.gz SRMXAAKPZCXLKU-BPUTZDHNSA-N 1 0 292.379 3.187 20 5 CGBDRO COCC[N@H+](C)Cc1cc(=O)oc2ccc3ccccc3c12 ZINC000077408624 523618616 /nfs/dbraw/zinc/61/86/16/523618616.db2.gz KJLVUDDGAJUSFY-UHFFFAOYSA-N 1 0 297.354 3.024 20 5 CGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286081697 524760146 /nfs/dbraw/zinc/76/01/46/524760146.db2.gz SJNUDAIMBDHCNH-UFBFGSQYSA-N 1 0 286.784 3.089 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000162710369 525747287 /nfs/dbraw/zinc/74/72/87/525747287.db2.gz CPGBCFYNMBEFTG-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccccc2[N+](=O)[O-])CC1 ZINC000301113580 528189709 /nfs/dbraw/zinc/18/97/09/528189709.db2.gz KFPUUASGERASOL-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO CCC[C@H](N[C@@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423371955 528238342 /nfs/dbraw/zinc/23/83/42/528238342.db2.gz VPTWYNDEVQJDOB-UHOFOFEASA-N 1 0 291.395 3.024 20 5 CGBDRO CCC[C@H](N[C@H]1CCCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000423567093 528240023 /nfs/dbraw/zinc/24/00/23/528240023.db2.gz URLKRPTVRJMQGC-HOCLYGCPSA-N 1 0 291.395 3.168 20 5 CGBDRO CCC([NH3+])(CC)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423286234 528953210 /nfs/dbraw/zinc/95/32/10/528953210.db2.gz GDVRPSRTBNDNFP-GFCCVEGCSA-N 1 0 279.384 3.071 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000135776177 529188099 /nfs/dbraw/zinc/18/80/99/529188099.db2.gz RIHHAFBZOHHBQP-CQSZACIVSA-N 1 0 260.293 3.429 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000160128683 529343780 /nfs/dbraw/zinc/34/37/80/529343780.db2.gz OXDJPPPYSQBTPX-CJNGLKHVSA-N 1 0 293.411 3.366 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000452032351 535744167 /nfs/dbraw/zinc/74/41/67/535744167.db2.gz CTLKCSVYPFOYBH-GDBMZVCRSA-N 1 0 292.379 3.341 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918504 535943118 /nfs/dbraw/zinc/94/31/18/535943118.db2.gz TYRCSTGHWAFXJA-ABAIWWIYSA-N 1 0 288.351 3.130 20 5 CGBDRO COc1cc(C[NH2+][C@@H](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000451993877 536804148 /nfs/dbraw/zinc/80/41/48/536804148.db2.gz KNPFBHLSEASONP-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO CC(C)(C)[NH2+]CCNc1nc2ccc([N+](=O)[O-])cc2s1 ZINC000731210059 572401128 /nfs/dbraw/zinc/40/11/28/572401128.db2.gz LJDMVDCDJXFXNH-UHFFFAOYSA-N 1 0 294.380 3.005 20 5 CGBDRO COC1CCC(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000749883868 573050871 /nfs/dbraw/zinc/05/08/71/573050871.db2.gz VDTBOCALOUQAJH-IYXRBSQSSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)(C)OCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000308697502 618350547 /nfs/dbraw/zinc/35/05/47/618350547.db2.gz TXUGSANVGWMJIM-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177521844 618826484 /nfs/dbraw/zinc/82/64/84/618826484.db2.gz ZQKSCGJCFQUPCC-RYUDHWBXSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cnc1F ZINC000892620823 618877122 /nfs/dbraw/zinc/87/71/22/618877122.db2.gz DPVCMWJGSTUXFJ-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO CC(C)(C)SCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311640365 618913938 /nfs/dbraw/zinc/91/39/38/618913938.db2.gz PGTIUHXTLNLLJT-UHFFFAOYSA-N 1 0 282.409 3.259 20 5 CGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925643585 619102783 /nfs/dbraw/zinc/10/27/83/619102783.db2.gz XBDXFWMSROEIMU-GOEBONIOSA-N 1 0 294.395 3.057 20 5 CGBDRO Cc1ncoc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000894315134 619487166 /nfs/dbraw/zinc/48/71/66/619487166.db2.gz NWUQRABKAWXBDU-UHFFFAOYSA-N 1 0 289.335 3.004 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccoc1)c1ccccc1[N+](=O)[O-] ZINC000897469853 620342157 /nfs/dbraw/zinc/34/21/57/620342157.db2.gz SGGUYRUIOOBVIB-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO Cc1noc(C)c1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897469748 620342165 /nfs/dbraw/zinc/34/21/65/620342165.db2.gz PVRMPVZHCBNSRV-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C2CCSCC2)cc([N+](=O)[O-])c1 ZINC000903116664 621587202 /nfs/dbraw/zinc/58/72/02/621587202.db2.gz MIBIIHLGGKMXDG-JTQLQIEISA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCC(C)(F)F)cc([N+](=O)[O-])c1 ZINC000903178257 621614653 /nfs/dbraw/zinc/61/46/53/621614653.db2.gz VMXFEARKBAIOCV-VIFPVBQESA-N 1 0 288.294 3.299 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000903302510 621668388 /nfs/dbraw/zinc/66/83/88/621668388.db2.gz BTAXYKVGNCDBHL-WQVCFCJDSA-N 1 0 291.395 3.118 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903329648 621703527 /nfs/dbraw/zinc/70/35/27/621703527.db2.gz CAPDXQJAZHZXSV-XHDPSFHLSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903416084 621735257 /nfs/dbraw/zinc/73/52/57/621735257.db2.gz PCBJCILPLGTIBQ-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1cccnc1C ZINC000903416199 621735491 /nfs/dbraw/zinc/73/54/91/621735491.db2.gz RXOGXFMSTPNIAT-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO C[NH+]1CCC(C)(CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000226356480 622963760 /nfs/dbraw/zinc/96/37/60/622963760.db2.gz JDNBGBMAFUPVNA-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000922951127 626106807 /nfs/dbraw/zinc/10/68/07/626106807.db2.gz JPUZJEXXIPNGLZ-CYBMUJFWSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000775575922 628110801 /nfs/dbraw/zinc/11/08/01/628110801.db2.gz FVNXUBAAYRWUFZ-IUCAKERBSA-N 1 0 289.162 3.439 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783653292 628735767 /nfs/dbraw/zinc/73/57/67/628735767.db2.gz ZZHMJOIWMQGSJU-PWSUYJOCSA-N 1 0 298.770 3.153 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652733 628736064 /nfs/dbraw/zinc/73/60/64/628736064.db2.gz QAXYHVBBGHCORY-SMDDNHRTSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC=CO2)cc1Cl ZINC000783704176 628741492 /nfs/dbraw/zinc/74/14/92/628741492.db2.gz CEKWVBAQZGXKPS-NSHDSACASA-N 1 0 282.727 3.031 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788758960 629079495 /nfs/dbraw/zinc/07/94/95/629079495.db2.gz SNNDNNCYNUXEOF-FOGDFJRCSA-N 1 0 263.341 3.016 20 5 CGBDRO C[C@@]1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCCS1 ZINC000862247144 629329556 /nfs/dbraw/zinc/32/95/56/629329556.db2.gz XBYCNPZCNSKTTE-HNNXBMFYSA-N 1 0 292.404 3.239 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792865478 629388081 /nfs/dbraw/zinc/38/80/81/629388081.db2.gz BYTPHBPJYDMACV-MNOVXSKESA-N 1 0 293.323 3.123 20 5 CGBDRO Cc1nn(C[N@@H+]2CCC[C@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000794704812 629569303 /nfs/dbraw/zinc/56/93/03/629569303.db2.gz HBLOCMRYDUEGLM-ZDUSSCGKSA-N 1 0 294.399 3.124 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000799352594 630174360 /nfs/dbraw/zinc/17/43/60/630174360.db2.gz XLDOYLZKUMYNMJ-KBPBESRZSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000804442524 630527290 /nfs/dbraw/zinc/52/72/90/630527290.db2.gz ZLVPCOWTLWQUNK-LBPRGKRZSA-N 1 0 295.770 3.144 20 5 CGBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000809734687 630795234 /nfs/dbraw/zinc/79/52/34/630795234.db2.gz JWTJQQUOSYAETJ-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588805 631802435 /nfs/dbraw/zinc/80/24/35/631802435.db2.gz ZMFIOGZQBWJHCX-JTNHKYCSSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604278 631804490 /nfs/dbraw/zinc/80/44/90/631804490.db2.gz JOXODRUMUYGHSS-NXEZZACHSA-N 1 0 263.341 3.016 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC000818617641 632342657 /nfs/dbraw/zinc/34/26/57/632342657.db2.gz FITCRHINVDCHOQ-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO CCC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819161318 632391874 /nfs/dbraw/zinc/39/18/74/632391874.db2.gz UQIGKRAYHSFNFP-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819334760 632432558 /nfs/dbraw/zinc/43/25/58/632432558.db2.gz KHLMCJKERPANTC-HIFRSBDPSA-N 1 0 292.379 3.044 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000865872320 632930565 /nfs/dbraw/zinc/93/05/65/632930565.db2.gz VNJKYBORHJBFQM-GXTWGEPZSA-N 1 0 294.395 3.357 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270542 633055358 /nfs/dbraw/zinc/05/53/58/633055358.db2.gz YFUUPUSJEGFSIW-NXEZZACHSA-N 1 0 286.372 3.006 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000866504508 633163672 /nfs/dbraw/zinc/16/36/72/633163672.db2.gz JDJPOAYQSWLCHV-OAHLLOKOSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@H]([NH2+]CCc1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021229 633942422 /nfs/dbraw/zinc/94/24/22/633942422.db2.gz OQHQFSMTYDRGPL-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045665 633969537 /nfs/dbraw/zinc/96/95/37/633969537.db2.gz QOWRQSNZOXQZKD-QWRGUYRKSA-N 1 0 264.300 3.493 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC(C)C ZINC000872061669 633984013 /nfs/dbraw/zinc/98/40/13/633984013.db2.gz FSOXJFWWTNBXCN-NSHDSACASA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064936 633987361 /nfs/dbraw/zinc/98/73/61/633987361.db2.gz PMKAHJRQXRZAFD-GHMZBOCLSA-N 1 0 296.342 3.342 20 5 CGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)O ZINC000872067383 633989878 /nfs/dbraw/zinc/98/98/78/633989878.db2.gz YFIOTZWZCYMHQD-HZMBPMFUSA-N 1 0 298.358 3.180 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000872081999 634006055 /nfs/dbraw/zinc/00/60/55/634006055.db2.gz NDYQFOBTXBVEJE-DCAQKATOSA-N 1 0 296.392 3.145 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088229 634014635 /nfs/dbraw/zinc/01/46/35/634014635.db2.gz MCOQKOWQVLGEDO-QWRGUYRKSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129817 634051362 /nfs/dbraw/zinc/05/13/62/634051362.db2.gz WLMYNPDFBZUHJQ-JHJVBQTASA-N 1 0 278.352 3.061 20 5 CGBDRO CCC(C)(C)CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000872221174 634084738 /nfs/dbraw/zinc/08/47/38/634084738.db2.gz XKOGRXSFUKVXLW-AWEZNQCLSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCS1 ZINC000873075002 634241676 /nfs/dbraw/zinc/24/16/76/634241676.db2.gz PNNMKKYOFOLMCF-LBPRGKRZSA-N 1 0 280.393 3.197 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)nc1 ZINC000873130210 634252673 /nfs/dbraw/zinc/25/26/73/634252673.db2.gz ASBBVMWUODWKRB-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCS[C@@H]1C ZINC000873134864 634254813 /nfs/dbraw/zinc/25/48/13/634254813.db2.gz VIYJQFUEKHBVBY-YPMHNXCESA-N 1 0 280.393 3.195 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccnc(F)c1 ZINC000873151601 634257856 /nfs/dbraw/zinc/25/78/56/634257856.db2.gz XTJJUTXTQYPKSL-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000873183785 634272809 /nfs/dbraw/zinc/27/28/09/634272809.db2.gz HXZQLBPQESKQDP-XQQFMLRXSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]C3CCCCCCC3)C2)c1 ZINC000876885024 634919780 /nfs/dbraw/zinc/91/97/80/634919780.db2.gz JCASECIKKLKXMY-UHFFFAOYSA-N 1 0 292.383 3.197 20 5 CGBDRO CCOC1CC(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000877087966 634980412 /nfs/dbraw/zinc/98/04/12/634980412.db2.gz YBRGYFGYHBKBFW-UHFFFAOYSA-N 1 0 298.770 3.153 20 5 CGBDRO COC[C@@]1(C)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877558765 635091164 /nfs/dbraw/zinc/09/11/64/635091164.db2.gz NAODDLRLLZISJX-INIZCTEOSA-N 1 0 292.379 3.070 20 5 CGBDRO C[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000877814788 635222727 /nfs/dbraw/zinc/22/27/27/635222727.db2.gz WOLWJTSVHCZNBT-GFCCVEGCSA-N 1 0 288.269 3.369 20 5 CGBDRO CC1(C)CCCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126730110 635229306 /nfs/dbraw/zinc/22/93/06/635229306.db2.gz KAEVJGIRMAGKBL-LSDHHAIUSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC(N)=[NH+]OCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000842024232 635257383 /nfs/dbraw/zinc/25/73/83/635257383.db2.gz MWDIFNPUZQGWFQ-UHFFFAOYSA-N 1 0 291.229 3.022 20 5 CGBDRO C[C@@H]([NH2+]CC1CCC(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842929394 635514784 /nfs/dbraw/zinc/51/47/84/635514784.db2.gz PVTAMYUHIVXTJW-XSRFYTQQSA-N 1 0 295.358 3.356 20 5 CGBDRO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000879410318 635780484 /nfs/dbraw/zinc/78/04/84/635780484.db2.gz QSUCBJNJTSGXGR-CQSZACIVSA-N 1 0 296.342 3.171 20 5 CGBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000844405243 635891589 /nfs/dbraw/zinc/89/15/89/635891589.db2.gz UVNJHFBXQSHNLI-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844436016 635900152 /nfs/dbraw/zinc/90/01/52/635900152.db2.gz PDQDOECGOLOONU-ZDUSSCGKSA-N 1 0 282.290 3.216 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@H](CF)C1 ZINC000880235650 635947508 /nfs/dbraw/zinc/94/75/08/635947508.db2.gz RBNDAEGRQTZXOU-VXGBXAGGSA-N 1 0 266.316 3.337 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000846041158 636136721 /nfs/dbraw/zinc/13/67/21/636136721.db2.gz ZBNNKEGKMKEQMY-QWHCGFSZSA-N 1 0 286.734 3.389 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccns1)c1c(F)cccc1[N+](=O)[O-] ZINC000883246498 636615236 /nfs/dbraw/zinc/61/52/36/636615236.db2.gz KHTBNXCMNDPYOK-SECBINFHSA-N 1 0 295.339 3.084 20 5 CGBDRO C=C/C=C/CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883268339 636639360 /nfs/dbraw/zinc/63/93/60/636639360.db2.gz IZBJSTMLUWXCLQ-RDFMZFSFSA-N 1 0 258.321 3.304 20 5 CGBDRO Cc1cccc(NC(=[NH2+])NCc2cccc([N+](=O)[O-])c2)c1 ZINC000849071906 636737989 /nfs/dbraw/zinc/73/79/89/636737989.db2.gz PGOWUXVJYXQACU-UHFFFAOYSA-N 1 0 284.319 3.040 20 5 CGBDRO CC[C@@H](C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850505833 637093873 /nfs/dbraw/zinc/09/38/73/637093873.db2.gz ZHXRJPCKYBMWOI-MNOVXSKESA-N 1 0 265.357 3.264 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=CCC1 ZINC000850510572 637096332 /nfs/dbraw/zinc/09/63/32/637096332.db2.gz UVNQVFVIXJLTEK-OCCSQVGLSA-N 1 0 260.337 3.224 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000850523831 637102313 /nfs/dbraw/zinc/10/23/13/637102313.db2.gz DCVOKWUZNDXAQP-OLZOCXBDSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1SCCS1 ZINC000850562297 637125900 /nfs/dbraw/zinc/12/59/00/637125900.db2.gz ZPUCKAUDECFIAY-SNVBAGLBSA-N 1 0 298.433 3.360 20 5 CGBDRO C[C@@H](c1ccc(F)cc1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885929368 637315948 /nfs/dbraw/zinc/31/59/48/637315948.db2.gz PDNXDOOXNBLYCT-NSHDSACASA-N 1 0 289.310 3.322 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@]12C[C@H]1CCCC2 ZINC000886307547 637492338 /nfs/dbraw/zinc/49/23/38/637492338.db2.gz VYZVVJDGBNXJOD-LNSITVRQSA-N 1 0 275.352 3.048 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCF ZINC000887141529 637758724 /nfs/dbraw/zinc/75/87/24/637758724.db2.gz XVYRJBIHWULUHA-NSHDSACASA-N 1 0 254.305 3.256 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000924798354 638405637 /nfs/dbraw/zinc/40/56/37/638405637.db2.gz NAYQVSMQVGNPBT-QFNJPPCTSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924954262 638431177 /nfs/dbraw/zinc/43/11/77/638431177.db2.gz GKTOERZPIXQNAW-GDBMZVCRSA-N 1 0 294.395 3.057 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC=CC[C@H]2C)cc1[N+](=O)[O-] ZINC000934626838 639645468 /nfs/dbraw/zinc/64/54/68/639645468.db2.gz ZHCUNFHLBURMQW-DGCLKSJQSA-N 1 0 276.336 3.048 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774131 640802237 /nfs/dbraw/zinc/80/22/37/640802237.db2.gz VOOVVFXYMGEENL-PHIMTYICSA-N 1 0 266.316 3.212 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773455 640802752 /nfs/dbraw/zinc/80/27/52/640802752.db2.gz VKKYGIBTSUQHPQ-VHSXEESVSA-N 1 0 254.305 3.258 20 5 CGBDRO C[C@@H]1[C@H]([NH3+])CCCN1c1ccc2ccc3cccnc3c2n1 ZINC001157731709 805857582 /nfs/dbraw/zinc/85/75/82/805857582.db2.gz FFAVYBOFFFYFPO-IUODEOHRSA-N 1 0 292.386 3.099 20 5 CGBDRO CC[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464495 806411727 /nfs/dbraw/zinc/41/17/27/806411727.db2.gz FIFSSZQKDGNZHX-ZDUSSCGKSA-N 1 0 291.395 3.199 20 5 CGBDRO CC[N@H+](C(C)C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475757 806412561 /nfs/dbraw/zinc/41/25/61/806412561.db2.gz JQODXFPHTKYLGD-UHFFFAOYSA-N 1 0 291.395 3.294 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCOC(C)(C)C ZINC001254544374 806446525 /nfs/dbraw/zinc/44/65/25/806446525.db2.gz JFUQTNVQLNRMLM-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557839 806450160 /nfs/dbraw/zinc/45/01/60/806450160.db2.gz CKAPWDMMXORJHY-DZGCQCFKSA-N 1 0 292.379 3.027 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001254566018 806451128 /nfs/dbraw/zinc/45/11/28/806451128.db2.gz GVNZVYNPRMMNDD-QGZVFWFLSA-N 1 0 296.370 3.469 20 5 CGBDRO Cc1cc(C)cc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572139 806454771 /nfs/dbraw/zinc/45/47/71/806454771.db2.gz IGLAZXRJWUPXGE-KRWDZBQOSA-N 1 0 296.370 3.469 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C/C=C/c1ccccc1)C2 ZINC001254580502 806455617 /nfs/dbraw/zinc/45/56/17/806455617.db2.gz DIBCOATVVOCASS-PFWMLDTASA-N 1 0 294.354 3.365 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596734 806456660 /nfs/dbraw/zinc/45/66/60/806456660.db2.gz FUJIEQPLWTWQDF-YGRLFVJLSA-N 1 0 296.317 3.039 20 5 CGBDRO C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254595985 806457418 /nfs/dbraw/zinc/45/74/18/806457418.db2.gz ASPJBHTVGXNUED-PBFPGSCMSA-N 1 0 288.391 3.430 20 5 CGBDRO C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H]1C ZINC001254600769 806458272 /nfs/dbraw/zinc/45/82/72/806458272.db2.gz RJBAZHQLQMXYSB-BFQNTYOBSA-N 1 0 274.364 3.182 20 5 CGBDRO CCC[N@H+](CC1CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598806 806458297 /nfs/dbraw/zinc/45/82/97/806458297.db2.gz MATAHEVAPAWVKT-INIZCTEOSA-N 1 0 274.364 3.184 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162396006 806574503 /nfs/dbraw/zinc/57/45/03/806574503.db2.gz HORIQSROQDTIGW-STQMWFEESA-N 1 0 277.368 3.202 20 5 CGBDRO [NH3+][C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001162404499 806578344 /nfs/dbraw/zinc/57/83/44/806578344.db2.gz NMSINEWBOONHCD-NEPJUHHUSA-N 1 0 285.347 3.430 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(-n2ccc3cc([C@H](C)[NH3+])ccc32)n1 ZINC001162908491 806684069 /nfs/dbraw/zinc/68/40/69/806684069.db2.gz GWNZFLMRUFXTRM-NSHDSACASA-N 1 0 296.330 3.262 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CC=CC1 ZINC000125435768 799001105 /nfs/dbraw/zinc/00/11/05/799001105.db2.gz QDPSWGWHJDEEPD-UHFFFAOYSA-N 1 0 252.701 3.056 20 5 CGBDRO O=[N+]([O-])c1cc(N[C@H]2C[NH+]3CCC2CC3)cc2ccccc21 ZINC001163395401 806758250 /nfs/dbraw/zinc/75/82/50/806758250.db2.gz UAWMMZBGUQJPKN-INIZCTEOSA-N 1 0 297.358 3.254 20 5 CGBDRO CC1(O)CCC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000703535248 799925955 /nfs/dbraw/zinc/92/59/55/799925955.db2.gz WCFJYJUICQXXIF-UHFFFAOYSA-N 1 0 298.770 3.031 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716672321 800179125 /nfs/dbraw/zinc/17/91/25/800179125.db2.gz RMYDAWRVBOLANY-XABYNWHXSA-N 1 0 274.364 3.019 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CC=CC1 ZINC000717362156 800201050 /nfs/dbraw/zinc/20/10/50/800201050.db2.gz ZXCORMWXUVDSOF-UHFFFAOYSA-N 1 0 266.728 3.304 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1Cl ZINC001168961856 807541787 /nfs/dbraw/zinc/54/17/87/807541787.db2.gz KHVYNNFFWKPZOB-TUAOUCFPSA-N 1 0 282.771 3.436 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977227 807544597 /nfs/dbraw/zinc/54/45/97/807544597.db2.gz IZIHSGLHNQGQKY-DZGCQCFKSA-N 1 0 276.380 3.265 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168978795 807545809 /nfs/dbraw/zinc/54/58/09/807545809.db2.gz UIBRFEHUQMEBES-DVZHBHJUSA-N 1 0 274.364 3.270 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1 ZINC001168980677 807545940 /nfs/dbraw/zinc/54/59/40/807545940.db2.gz FNLIVCGDHMSTEH-JTNHKYCSSA-N 1 0 282.771 3.436 20 5 CGBDRO CC(C)(Cc1ccccc1F)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168980379 807546208 /nfs/dbraw/zinc/54/62/08/807546208.db2.gz DAWNDNMBCZJXGN-TZMCWYRMSA-N 1 0 294.370 3.182 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001169001660 807548935 /nfs/dbraw/zinc/54/89/35/807548935.db2.gz HFFHDKKOQAKCEU-ITDIGPHOSA-N 1 0 298.333 3.451 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007450 807551401 /nfs/dbraw/zinc/55/14/01/807551401.db2.gz NWCILOGBMVJJHI-NFAWXSAZSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001169025439 807554574 /nfs/dbraw/zinc/55/45/74/807554574.db2.gz IXTMVHHOAMPIBJ-BMFZPTHFSA-N 1 0 274.364 3.269 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038633 807557143 /nfs/dbraw/zinc/55/71/43/807557143.db2.gz JPYAJEPCRSWVNC-AUPUMLSVSA-N 1 0 274.364 3.077 20 5 CGBDRO C[C@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169056801 807562432 /nfs/dbraw/zinc/56/24/32/807562432.db2.gz SUAPLHGCYNDSJJ-GUTXKFCHSA-N 1 0 274.364 3.051 20 5 CGBDRO C[NH+]1CC(CNc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001170256468 807805676 /nfs/dbraw/zinc/80/56/76/807805676.db2.gz NNOCWXMZUPIAGK-UHFFFAOYSA-N 1 0 297.358 3.235 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170295529 807818110 /nfs/dbraw/zinc/81/81/10/807818110.db2.gz UQLJBEHGIDUSFX-NSHDSACASA-N 1 0 280.368 3.170 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170295917 807818814 /nfs/dbraw/zinc/81/88/14/807818814.db2.gz XYYJDOKBRXDCFV-LLVKDONJSA-N 1 0 280.368 3.313 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001170336519 807826531 /nfs/dbraw/zinc/82/65/31/807826531.db2.gz YOEKEWWNVIIWTF-LBPRGKRZSA-N 1 0 290.363 3.020 20 5 CGBDRO COc1c(O)ccc(C[NH2+]C[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC001262370142 807859790 /nfs/dbraw/zinc/85/97/90/807859790.db2.gz ZKJXEJSGSZSNNA-JTQLQIEISA-N 1 0 296.367 3.081 20 5 CGBDRO CC(C)(C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899475 808475886 /nfs/dbraw/zinc/47/58/86/808475886.db2.gz ZKLREYFIPBLEQJ-CYBMUJFWSA-N 1 0 262.353 3.230 20 5 CGBDRO CSCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900697 808476307 /nfs/dbraw/zinc/47/63/07/808476307.db2.gz YGMKZLYGRFKJLW-CQSZACIVSA-N 1 0 294.420 3.185 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213128 808539121 /nfs/dbraw/zinc/53/91/21/808539121.db2.gz DTHUZGDVMAHTTC-VXGBXAGGSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2cccnc21 ZINC001173217944 808539883 /nfs/dbraw/zinc/53/98/83/808539883.db2.gz NOEFDSWXGXJWEW-WBMJQRKESA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccn2)CC1 ZINC001173219141 808540290 /nfs/dbraw/zinc/54/02/90/808540290.db2.gz XKWXRZOQYYBDNI-ZDUSSCGKSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CC2)C1 ZINC001173220825 808540487 /nfs/dbraw/zinc/54/04/87/808540487.db2.gz CRPHWHZRHAZPHW-LBPRGKRZSA-N 1 0 260.337 3.012 20 5 CGBDRO CCCO[C@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225732 808541124 /nfs/dbraw/zinc/54/11/24/808541124.db2.gz FRGUDFBKVIFGPH-CJNGLKHVSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C(C)(C)C ZINC001173227636 808541944 /nfs/dbraw/zinc/54/19/44/808541944.db2.gz RNRDCROBGLHASC-NSHDSACASA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC1(C)C ZINC001173230426 808542906 /nfs/dbraw/zinc/54/29/06/808542906.db2.gz YDGFLSIATWWYSB-LBPRGKRZSA-N 1 0 262.353 3.400 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234825 808544905 /nfs/dbraw/zinc/54/49/05/808544905.db2.gz UFHCMCATYQQXLA-XJKSGUPXSA-N 1 0 292.379 3.025 20 5 CGBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001176244102 809654121 /nfs/dbraw/zinc/65/41/21/809654121.db2.gz VCNWTPNNMIHOHH-ZIAGYGMSSA-N 1 0 292.379 3.342 20 5 CGBDRO Cc1cc(CN(C)Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001180010926 809967818 /nfs/dbraw/zinc/96/78/18/809967818.db2.gz BDBQFERLMFFWSQ-UHFFFAOYSA-N 1 0 285.347 3.239 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCSC[C@H](C)C1 ZINC001181445305 810053032 /nfs/dbraw/zinc/05/30/32/810053032.db2.gz NXOLSHGROMUVRP-LLVKDONJSA-N 1 0 294.420 3.397 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]([NH+](C)C)C2(C)C)c1 ZINC001186790590 810362333 /nfs/dbraw/zinc/36/23/33/810362333.db2.gz JIXIOROBRJZQTA-KGLIPLIRSA-N 1 0 277.368 3.044 20 5 CGBDRO CCC[C@@]1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001191258630 810694144 /nfs/dbraw/zinc/69/41/44/810694144.db2.gz OUFIZLKKCDMEFX-HNNXBMFYSA-N 1 0 277.368 3.392 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001193594306 810914642 /nfs/dbraw/zinc/91/46/42/810914642.db2.gz SAXYWSSCVGZDPT-WWGRRREGSA-N 1 0 292.379 3.388 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2[nH]nc3ccccc32)cc1[N+](=O)[O-] ZINC001203415946 812349501 /nfs/dbraw/zinc/34/95/01/812349501.db2.gz WZBGAOSKHWWQPD-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2cc[nH+]c(N3CCCC3)c2)c1 ZINC001204439387 812638918 /nfs/dbraw/zinc/63/89/18/812638918.db2.gz DZELDWMZWYOHTM-UHFFFAOYSA-N 1 0 284.319 3.334 20 5 CGBDRO C[NH+](C)Cc1ccc(Nc2cccc([N+](=O)[O-])c2)cc1 ZINC001204456391 812645007 /nfs/dbraw/zinc/64/50/07/812645007.db2.gz LTKIHPZNSPPYGF-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC2(C1)CCCC2 ZINC001204952431 812795935 /nfs/dbraw/zinc/79/59/35/812795935.db2.gz BEYBOIQUJZJECJ-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO Cc1cc(Nc2ccc(O)c([N+](=O)[O-])c2)c2ccccc2[nH+]1 ZINC001210392173 814440726 /nfs/dbraw/zinc/44/07/26/814440726.db2.gz CSQNFUQZHNKRPA-UHFFFAOYSA-N 1 0 295.298 3.323 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1Cl ZINC001217995183 816041120 /nfs/dbraw/zinc/04/11/20/816041120.db2.gz DDLFUEBVUGWQKU-SNVBAGLBSA-N 1 0 284.743 3.078 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001218028976 816063525 /nfs/dbraw/zinc/06/35/25/816063525.db2.gz AFMFDVXJTUTNGB-MWLCHTKSSA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CC[NH2+]C2)cc1 ZINC001218037136 816068623 /nfs/dbraw/zinc/06/86/23/816068623.db2.gz UFYDQYFPFAPORF-CQSZACIVSA-N 1 0 284.315 3.003 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262221 816144608 /nfs/dbraw/zinc/14/46/08/816144608.db2.gz DBENMBVUHZYFGU-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[NH2+]C2)c(Cl)cc1Cl ZINC001218278669 816151081 /nfs/dbraw/zinc/15/10/81/816151081.db2.gz GUMPTYCHNZBVFW-ZETCQYMHSA-N 1 0 291.134 3.032 20 5 CGBDRO c1ccc2c(c1)nc(O[C@@H]1C[C@H]3C[NH2+]C[C@H]31)c1ccccc21 ZINC001218325271 816167353 /nfs/dbraw/zinc/16/73/53/816167353.db2.gz KXJLZMRKFOWFGL-BJOOFOGMSA-N 1 0 290.366 3.375 20 5 CGBDRO C[C@H]1CC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C[NH2+]1 ZINC001218397344 816190500 /nfs/dbraw/zinc/19/05/00/816190500.db2.gz CXNDSLWQKAXDFJ-AAEUAGOBSA-N 1 0 286.331 3.267 20 5 CGBDRO CC1(C)C[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC001218473695 816231729 /nfs/dbraw/zinc/23/17/29/816231729.db2.gz DATHZGHCLXHUAJ-VIFPVBQESA-N 1 0 284.743 3.158 20 5 CGBDRO CC1(C)C[C@H](Oc2cccc([N+](=O)[O-])c2Cl)CC[NH2+]1 ZINC001218473692 816231927 /nfs/dbraw/zinc/23/19/27/816231927.db2.gz DATHZGHCLXHUAJ-SECBINFHSA-N 1 0 284.743 3.158 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)nc2c1 ZINC001218478919 816234835 /nfs/dbraw/zinc/23/48/35/816234835.db2.gz HXHLMUMDGDLDMH-FABXCBLPSA-N 1 0 291.354 3.055 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2C[C@H]3C[NH2+][C@@H]2C3)c([N+](=O)[O-])c1 ZINC001218487967 816243494 /nfs/dbraw/zinc/24/34/94/816243494.db2.gz BVYBNUDMRICGBN-JVLSTEMRSA-N 1 0 290.363 3.022 20 5 CGBDRO Cc1c(COC2CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC001223333574 816606974 /nfs/dbraw/zinc/60/69/74/816606974.db2.gz YERMYQPIFUZPOH-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432466 816629862 /nfs/dbraw/zinc/62/98/62/816629862.db2.gz VDSCUHWFOUPFRB-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(-n2cccc2)cc1 ZINC001223868221 816693964 /nfs/dbraw/zinc/69/39/64/816693964.db2.gz JERRRHDXYZOBJN-HNNXBMFYSA-N 1 0 273.400 3.089 20 5 CGBDRO Cc1cc(CO[C@@H](C)C[N+](C)(C)C)c2ccccc2n1 ZINC001223866738 816694044 /nfs/dbraw/zinc/69/40/44/816694044.db2.gz CEXVUEGQPHJRFR-AWEZNQCLSA-N 1 0 273.400 3.155 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027443 816722735 /nfs/dbraw/zinc/72/27/35/816722735.db2.gz VIWAJNYKVUXYDC-IUODEOHRSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(C(F)(F)F)c1 ZINC001224771365 816877692 /nfs/dbraw/zinc/87/76/92/816877692.db2.gz LJJWTLDAVKLFAM-NSHDSACASA-N 1 0 276.322 3.489 20 5 CGBDRO C[NH+]1C(C)(C)CC(Oc2cccnc2[N+](=O)[O-])CC1(C)C ZINC001225629253 817118769 /nfs/dbraw/zinc/11/87/69/817118769.db2.gz IBWFUXICBFNVQZ-UHFFFAOYSA-N 1 0 293.367 3.020 20 5 CGBDRO Cc1cccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001225635373 817121905 /nfs/dbraw/zinc/12/19/05/817121905.db2.gz GHTDGDBDONUAKC-CYBMUJFWSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC001225692955 817144779 /nfs/dbraw/zinc/14/47/79/817144779.db2.gz JDVXBJRSESLZMP-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OC1CC[NH+](C2CC2)CC1 ZINC001225712865 817153903 /nfs/dbraw/zinc/15/39/03/817153903.db2.gz LAYTXKSHQRDDJO-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226811357 817472129 /nfs/dbraw/zinc/47/21/29/817472129.db2.gz XEBXGASLQLYLNR-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C2CCC(=O)CC2)cc1 ZINC001226817449 817474322 /nfs/dbraw/zinc/47/43/22/817474322.db2.gz CBQWAKUQDUANBD-AWEZNQCLSA-N 1 0 290.427 3.387 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001227429523 817647211 /nfs/dbraw/zinc/64/72/11/817647211.db2.gz YBGCCXPSZMDUEW-ZDUSSCGKSA-N 1 0 296.390 3.372 20 5 CGBDRO COc1ccc2cc(O[C@@H](C)C[N+](C)(C)C)ccc2c1 ZINC001227654559 817688335 /nfs/dbraw/zinc/68/83/35/817688335.db2.gz UILSLSGTNVXSCA-ZDUSSCGKSA-N 1 0 274.384 3.322 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2nc3ccccc3nc2c1 ZINC001228741104 817995540 /nfs/dbraw/zinc/99/55/40/817995540.db2.gz PVZZSNHVCPKLPB-CYBMUJFWSA-N 1 0 296.394 3.257 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228758978 818001450 /nfs/dbraw/zinc/00/14/50/818001450.db2.gz PJTKFOQUZMNOCL-XYPYZODXSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001228839778 818018552 /nfs/dbraw/zinc/01/85/52/818018552.db2.gz YOYCXMQCWBTSTN-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(O)ccc2ccccc21 ZINC001231232394 818062856 /nfs/dbraw/zinc/06/28/56/818062856.db2.gz VOEVDRSYQGWKBU-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234086454 818775687 /nfs/dbraw/zinc/77/56/87/818775687.db2.gz GBFFVGXINHREED-CQSZACIVSA-N 1 0 293.370 3.256 20 5 CGBDRO CCOc1ccc(O[C@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001234318354 818836486 /nfs/dbraw/zinc/83/64/86/818836486.db2.gz YGZHFLNNHIKSHI-LLVKDONJSA-N 1 0 272.796 3.212 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c2ncccc12 ZINC001234341698 818841809 /nfs/dbraw/zinc/84/18/09/818841809.db2.gz OQCSUKIKGBEGMS-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO CCOc1ccc2nc(O[C@@H](C)C[N+](C)(C)C)sc2c1 ZINC001234575987 818884194 /nfs/dbraw/zinc/88/41/94/818884194.db2.gz RHHJLHKMSLIBHG-NSHDSACASA-N 1 0 295.428 3.169 20 5 CGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089356 935268228 /nfs/dbraw/zinc/26/82/28/935268228.db2.gz LPKAKFQHZCHPJG-QWHCGFSZSA-N 1 0 298.383 3.450 20 5 CGBDRO CC(C)(CF)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001343301801 936493847 /nfs/dbraw/zinc/49/38/47/936493847.db2.gz VSMIAJXLDXBASL-UHFFFAOYSA-N 1 0 260.696 3.086 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2sccc2c1 ZINC001229122868 927321957 /nfs/dbraw/zinc/32/19/57/927321957.db2.gz TVGKGFVYAWHEQK-LLVKDONJSA-N 1 0 250.387 3.375 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950407 937507780 /nfs/dbraw/zinc/50/77/80/937507780.db2.gz OGWTXXKVPALVBC-BBRMVZONSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1ccccc1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001161620737 931985924 /nfs/dbraw/zinc/98/59/24/931985924.db2.gz LDRWVXKCQRICPY-UHFFFAOYSA-N 1 0 283.331 3.119 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1F ZINC001229105393 932096363 /nfs/dbraw/zinc/09/63/63/932096363.db2.gz UCXGSSBXTFNDDJ-SECBINFHSA-N 1 0 280.285 3.318 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001229119113 932100672 /nfs/dbraw/zinc/10/06/72/932100672.db2.gz KXVVEJXJPCGINZ-OCHBPSSRSA-N 1 0 278.352 3.043 20 5 CGBDRO CC(=O)c1cc(Cl)c(C)cc1O[C@H](C)C[N+](C)(C)C ZINC001229363173 932137233 /nfs/dbraw/zinc/13/72/33/932137233.db2.gz XOYVPSXIADADLU-LLVKDONJSA-N 1 0 284.807 3.325 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c(Cl)ccnc12 ZINC001229558586 932171096 /nfs/dbraw/zinc/17/10/96/932171096.db2.gz ZKPMFHTUORDCPP-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(C)c2C)CC1 ZINC001229881919 932497758 /nfs/dbraw/zinc/49/77/58/932497758.db2.gz IJIOHCBXJHKOLI-UHFFFAOYSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230477987 932576017 /nfs/dbraw/zinc/57/60/17/932576017.db2.gz RKHUHGNJXMUTIM-CQSZACIVSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001230723113 932614617 /nfs/dbraw/zinc/61/46/17/932614617.db2.gz DRHNRTNATYREBK-CQSZACIVSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])s1 ZINC001472833338 937786336 /nfs/dbraw/zinc/78/63/36/937786336.db2.gz XWVAYCWZAITFQD-NWDGAFQWSA-N 1 0 295.408 3.249 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001473333834 937802141 /nfs/dbraw/zinc/80/21/41/937802141.db2.gz MUAFWKXNIKHACE-CABCVRRESA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](O)CC(C)(C)C ZINC001474002440 937835022 /nfs/dbraw/zinc/83/50/22/937835022.db2.gz JVTUPWHLEAWCLY-CYBMUJFWSA-N 1 0 294.395 3.098 20 5 CGBDRO C=C/C=C/CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC001474250908 937846432 /nfs/dbraw/zinc/84/64/32/937846432.db2.gz FQVVNRGNQXYJNQ-ONEGZZNKSA-N 1 0 298.289 3.418 20 5 CGBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1 ZINC001559161784 938221488 /nfs/dbraw/zinc/22/14/88/938221488.db2.gz MFMFJVDDEGRVDY-UHFFFAOYSA-N 1 0 279.384 3.153 20 5 CGBDRO CCC[N@H+](C)CC(C)(C)Nc1ccccc1[N+](=O)[O-] ZINC001559241976 938222868 /nfs/dbraw/zinc/22/28/68/938222868.db2.gz CMUQGYSPGONGAV-UHFFFAOYSA-N 1 0 265.357 3.127 20 5 CGBDRO CC[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001559769408 938235293 /nfs/dbraw/zinc/23/52/93/938235293.db2.gz OCGNKFNXZLRLPX-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2[nH]ccc2c1 ZINC001560458390 938259304 /nfs/dbraw/zinc/25/93/04/938259304.db2.gz NGJPKSLULUVQBO-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2ccccn2)C1 ZINC000590599193 346853928 /nfs/dbraw/zinc/85/39/28/346853928.db2.gz BWWFHRMVXNKKFV-AWEZNQCLSA-N 1 0 297.358 3.369 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000337946482 214324728 /nfs/dbraw/zinc/32/47/28/214324728.db2.gz NLSJJHFEGHDZKP-CQSZACIVSA-N 1 0 280.368 3.136 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000590779945 346876069 /nfs/dbraw/zinc/87/60/69/346876069.db2.gz JQRMSWZFHHWZCZ-HEHGZKQESA-N 1 0 292.379 3.105 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(CC(F)C2)C1 ZINC000590969297 346891821 /nfs/dbraw/zinc/89/18/21/346891821.db2.gz MNKQOCLFMWUMIV-XGICHPGQSA-N 1 0 290.338 3.432 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000358744209 529527693 /nfs/dbraw/zinc/52/76/93/529527693.db2.gz IMBRNFUZHFFZFS-LBPRGKRZSA-N 1 0 298.408 3.047 20 5 CGBDRO CO[C@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000591375588 346918221 /nfs/dbraw/zinc/91/82/21/346918221.db2.gz FEUVTPAUTOJVDV-HNNXBMFYSA-N 1 0 294.395 3.481 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414287706 529615727 /nfs/dbraw/zinc/61/57/27/529615727.db2.gz UMHBLXSPXZFNHT-DUPGQFARSA-N 1 0 292.379 3.449 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC=CC1 ZINC000591501521 346926875 /nfs/dbraw/zinc/92/68/75/346926875.db2.gz JKKOTAYHPJMWEJ-XFXZXTDPSA-N 1 0 258.321 3.306 20 5 CGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000338477814 214613163 /nfs/dbraw/zinc/61/31/63/214613163.db2.gz OJMWWPNCLYILCG-BTTYYORXSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000295044780 199317339 /nfs/dbraw/zinc/31/73/39/199317339.db2.gz AFJZKFOGACLHQO-FDRIWYBQSA-N 1 0 278.352 3.201 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592398555 346983851 /nfs/dbraw/zinc/98/38/51/346983851.db2.gz JSNNZHCVPMOTEO-DMDPSCGWSA-N 1 0 280.393 3.448 20 5 CGBDRO C[N@H+](CCCCNc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000413349450 529884242 /nfs/dbraw/zinc/88/42/42/529884242.db2.gz RWVRACSXPIMDTD-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[NH+](C)C1(CNc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000025777466 344904449 /nfs/dbraw/zinc/90/44/49/344904449.db2.gz UNGCCFWGQBSRCG-UHFFFAOYSA-N 1 0 277.368 3.271 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000034031186 344937363 /nfs/dbraw/zinc/93/73/63/344937363.db2.gz JSOFGFPBZSHDPT-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000040624251 344965251 /nfs/dbraw/zinc/96/52/51/344965251.db2.gz XWROIFMWOYMNDC-CYBMUJFWSA-N 1 0 277.368 3.045 20 5 CGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000048558990 345068307 /nfs/dbraw/zinc/06/83/07/345068307.db2.gz FQGOWOKNABBOGK-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@H](C)C1 ZINC000048999740 345070541 /nfs/dbraw/zinc/07/05/41/345070541.db2.gz RXJNPWWOSBOQQO-QWRGUYRKSA-N 1 0 283.397 3.189 20 5 CGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050989598 345086156 /nfs/dbraw/zinc/08/61/56/345086156.db2.gz OGYBYVJPMCLWIQ-UHFFFAOYSA-N 1 0 260.337 3.215 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000065208253 345269617 /nfs/dbraw/zinc/26/96/17/345269617.db2.gz FQGANRANSAGYTH-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CS[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000295115480 199352482 /nfs/dbraw/zinc/35/24/82/199352482.db2.gz VQCVIWCFMWSNMN-BPJJOFIESA-N 1 0 278.377 3.045 20 5 CGBDRO Cc1cc(NC[C@H](c2ccco2)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000079809004 345655655 /nfs/dbraw/zinc/65/56/55/345655655.db2.gz VQLHSEGPVMZDRZ-CQSZACIVSA-N 1 0 289.335 3.211 20 5 CGBDRO Cc1cc(N(C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000079853144 345656618 /nfs/dbraw/zinc/65/66/18/345656618.db2.gz MVFGHCQAJCFCGS-UHFFFAOYSA-N 1 0 291.395 3.212 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000090587994 345790711 /nfs/dbraw/zinc/79/07/11/345790711.db2.gz PRMBKJUCAKBBMU-YPMHNXCESA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090846837 345795959 /nfs/dbraw/zinc/79/59/59/345795959.db2.gz JSEDIEBHEXGXPS-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123310859 346008540 /nfs/dbraw/zinc/00/85/40/346008540.db2.gz QGDGKRDRKZCFBV-SECBINFHSA-N 1 0 276.258 3.068 20 5 CGBDRO CC(C)OC1CCC([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000130107983 346054431 /nfs/dbraw/zinc/05/44/31/346054431.db2.gz OMUWYSAXMCKBEC-UHFFFAOYSA-N 1 0 292.379 3.421 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127548465 187314643 /nfs/dbraw/zinc/31/46/43/187314643.db2.gz PPGXSZDOHZPZOH-CYBMUJFWSA-N 1 0 285.347 3.491 20 5 CGBDRO Cc1cc(N2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000166434010 346186883 /nfs/dbraw/zinc/18/68/83/346186883.db2.gz LMNGVHZEQIVJGT-UHFFFAOYSA-N 1 0 257.293 3.052 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000324209309 346490438 /nfs/dbraw/zinc/49/04/38/346490438.db2.gz URJLSAQNSLPTLG-CYBMUJFWSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](OC(C)C)C1 ZINC000593660828 347101376 /nfs/dbraw/zinc/10/13/76/347101376.db2.gz SEKZFFKLJUQZNX-INIZCTEOSA-N 1 0 292.379 3.293 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000403546686 346597186 /nfs/dbraw/zinc/59/71/86/346597186.db2.gz RMZSXXZUNSRIDX-WZRBSPASSA-N 1 0 278.327 3.260 20 5 CGBDRO Cc1cc(N2CCC[C@H]3C[C@H]32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000588066850 346748172 /nfs/dbraw/zinc/74/81/72/346748172.db2.gz ZSERYZUNGGGRGM-XHDPSFHLSA-N 1 0 283.331 3.440 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593717440 347107874 /nfs/dbraw/zinc/10/78/74/347107874.db2.gz HGDNEZMAZJWGRC-NWDGAFQWSA-N 1 0 278.352 3.061 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000589609040 346802512 /nfs/dbraw/zinc/80/25/12/346802512.db2.gz VQLFCKJSALNPBP-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000594026232 347139662 /nfs/dbraw/zinc/13/96/62/347139662.db2.gz GXNOIIIXNVIBDE-OAHLLOKOSA-N 1 0 290.363 3.128 20 5 CGBDRO CC(C)(CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)C1CC1 ZINC000593969619 347126396 /nfs/dbraw/zinc/12/63/96/347126396.db2.gz BUHFPVHSHDBTAK-UHFFFAOYSA-N 1 0 289.379 3.174 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c(F)c1 ZINC000594597642 347199361 /nfs/dbraw/zinc/19/93/61/347199361.db2.gz DHSPMVYRWPMYGV-CABCVRRESA-N 1 0 293.342 3.163 20 5 CGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494328 347178017 /nfs/dbraw/zinc/17/80/17/347178017.db2.gz YCXVTEKIBRRBCH-XUJVJEKNSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000594502079 347180660 /nfs/dbraw/zinc/18/06/60/347180660.db2.gz CTUZWAIPQMOJKX-HZMBPMFUSA-N 1 0 260.337 3.218 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594508160 347182273 /nfs/dbraw/zinc/18/22/73/347182273.db2.gz SEBIRHOEBFHHCJ-TVYUQYBPSA-N 1 0 278.377 3.066 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000594508205 347182458 /nfs/dbraw/zinc/18/24/58/347182458.db2.gz SJBQAQNFJRCOES-CABZTGNLSA-N 1 0 284.306 3.463 20 5 CGBDRO C[C@@H]([NH2+]CCC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000594731409 347214087 /nfs/dbraw/zinc/21/40/87/347214087.db2.gz SILINWWZJKZLBI-SNVBAGLBSA-N 1 0 254.305 3.384 20 5 CGBDRO COC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594962797 347243230 /nfs/dbraw/zinc/24/32/30/347243230.db2.gz KEYMMAZKPBIOKA-UHFFFAOYSA-N 1 0 298.770 3.153 20 5 CGBDRO CC[C@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000594978878 347248091 /nfs/dbraw/zinc/24/80/91/347248091.db2.gz CIJKETNTUAMFQC-LBPRGKRZSA-N 1 0 254.355 3.325 20 5 CGBDRO CCSC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000594985426 347249552 /nfs/dbraw/zinc/24/95/52/347249552.db2.gz ZSYZOKQMFOGRJG-UHFFFAOYSA-N 1 0 280.393 3.279 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109117 347285074 /nfs/dbraw/zinc/28/50/74/347285074.db2.gz UIXMMCSKSDGOQA-AAEUAGOBSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595106827 347285169 /nfs/dbraw/zinc/28/51/69/347285169.db2.gz MMIFAIGFRPCVOY-OLZOCXBDSA-N 1 0 292.379 3.369 20 5 CGBDRO C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CCCC1 ZINC000595297615 347288332 /nfs/dbraw/zinc/28/83/32/347288332.db2.gz XMKGBFMUKJQPES-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@H]1CCCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595326203 347292460 /nfs/dbraw/zinc/29/24/60/347292460.db2.gz ACLYHBQDOALRFN-NSHDSACASA-N 1 0 267.329 3.046 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595341010 347293705 /nfs/dbraw/zinc/29/37/05/347293705.db2.gz ZYLVNLGZELEHPN-UWVGGRQHSA-N 1 0 252.289 3.107 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595373529 347296756 /nfs/dbraw/zinc/29/67/56/347296756.db2.gz LJDVMDOGARCHST-JTQLQIEISA-N 1 0 286.372 3.307 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595011925 347256397 /nfs/dbraw/zinc/25/63/97/347256397.db2.gz CSGWLJUIGBHFFD-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO CCC1([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595042740 347267116 /nfs/dbraw/zinc/26/71/16/347267116.db2.gz URIVHNZTIWFRER-JTQLQIEISA-N 1 0 264.325 3.197 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000595043173 347267347 /nfs/dbraw/zinc/26/73/47/347267347.db2.gz HDOLPYVNXVZPIW-OUJBWJOFSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC(C)(C)C1 ZINC000595048736 347269416 /nfs/dbraw/zinc/26/94/16/347269416.db2.gz MANYTPZOTYDRQG-OCCSQVGLSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@H]1C ZINC000595051046 347269918 /nfs/dbraw/zinc/26/99/18/347269918.db2.gz RWDWCYDPZKRSSS-GBIKHYSHSA-N 1 0 264.325 3.053 20 5 CGBDRO C[C@@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057522 347272335 /nfs/dbraw/zinc/27/23/35/347272335.db2.gz YRDDBPUYUFBJIL-TZMCWYRMSA-N 1 0 291.395 3.118 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595066201 347275933 /nfs/dbraw/zinc/27/59/33/347275933.db2.gz FXFIPWYMMUEBMG-OBJOEFQTSA-N 1 0 278.352 3.121 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595067058 347276143 /nfs/dbraw/zinc/27/61/43/347276143.db2.gz KDQCSXDJQPBIRK-BPLDGKMQSA-N 1 0 292.379 3.073 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595087826 347280464 /nfs/dbraw/zinc/28/04/64/347280464.db2.gz FEUYISDBSYZJJT-BBRMVZONSA-N 1 0 292.379 3.044 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C(C)(C)O1 ZINC000595440716 347303878 /nfs/dbraw/zinc/30/38/78/347303878.db2.gz RESOZXJKXPECNB-ZDUSSCGKSA-N 1 0 296.342 3.170 20 5 CGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595441287 347304599 /nfs/dbraw/zinc/30/45/99/347304599.db2.gz WLJNTKIQDFPCGH-RYUDHWBXSA-N 1 0 281.356 3.340 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511191 347313672 /nfs/dbraw/zinc/31/36/72/347313672.db2.gz OQHNEZVHBRMQCF-LLVKDONJSA-N 1 0 298.383 3.309 20 5 CGBDRO Cc1noc(C[NH2+][C@@H](C)[C@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595522117 347315006 /nfs/dbraw/zinc/31/50/06/347315006.db2.gz ILWWRDWDLOJWOC-SCVCMEIPSA-N 1 0 281.356 3.196 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000595561500 347319882 /nfs/dbraw/zinc/31/98/82/347319882.db2.gz KGPXLXAUQNGBIM-HIFRSBDPSA-N 1 0 296.342 3.171 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000595593484 347322844 /nfs/dbraw/zinc/32/28/44/347322844.db2.gz QKTQVVAUTHZXCZ-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1c(F)cccc1[N+](=O)[O-] ZINC000595858655 347368275 /nfs/dbraw/zinc/36/82/75/347368275.db2.gz YNFOZQSVCFATIC-YOGCLGLASA-N 1 0 278.327 3.497 20 5 CGBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000595911103 347371534 /nfs/dbraw/zinc/37/15/34/347371534.db2.gz MXBZSTNSDNFVGI-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO CC[NH+](CC)CCCCNc1cc(C)sc1[N+](=O)[O-] ZINC000596099759 347383282 /nfs/dbraw/zinc/38/32/82/347383282.db2.gz WXVUAFUKGASGMF-UHFFFAOYSA-N 1 0 285.413 3.499 20 5 CGBDRO Cc1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)c([N+](=O)[O-])s1 ZINC000596121122 347385499 /nfs/dbraw/zinc/38/54/99/347385499.db2.gz KPWNQHSGOJNGQX-GFCCVEGCSA-N 1 0 295.408 3.029 20 5 CGBDRO Cc1ncc(-c2ccc(F)c(C[NH+](C)C)c2)cc1[N+](=O)[O-] ZINC000596646364 347497900 /nfs/dbraw/zinc/49/79/00/347497900.db2.gz KTCIQSGLMMPGGY-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CC1(F)F ZINC000598675944 347677635 /nfs/dbraw/zinc/67/76/35/347677635.db2.gz AZRAOIITCKRVLJ-CABZTGNLSA-N 1 0 282.290 3.217 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000598965660 347701608 /nfs/dbraw/zinc/70/16/08/347701608.db2.gz YHGZEIDMWDZLHO-SWHYSGLUSA-N 1 0 290.363 3.128 20 5 CGBDRO C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975222 347703021 /nfs/dbraw/zinc/70/30/21/347703021.db2.gz UEKDYXXCMBWZKU-QWHCGFSZSA-N 1 0 291.395 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCOC2)c(Cl)c1 ZINC000598984997 347703576 /nfs/dbraw/zinc/70/35/76/347703576.db2.gz FKUFQWWAKHHWNS-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062308 347712974 /nfs/dbraw/zinc/71/29/74/347712974.db2.gz URFJJEYROQYYLO-WFASDCNBSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1c(N[C@@H]2[C@@H]3CCC[C@@H]32)ccc2cnccc21 ZINC000599074319 347714532 /nfs/dbraw/zinc/71/45/32/347714532.db2.gz PXKBSFIHCURWND-DABQJJPHSA-N 1 0 269.304 3.353 20 5 CGBDRO Cc1ncccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599075134 347714913 /nfs/dbraw/zinc/71/49/13/347714913.db2.gz YAQAGOKBZTXMQF-LLVKDONJSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000599141702 347720631 /nfs/dbraw/zinc/72/06/31/347720631.db2.gz PJWIBGQFPOYFLO-LBPRGKRZSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1cc(NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000599140869 347720727 /nfs/dbraw/zinc/72/07/27/347720727.db2.gz ISBJTOKBELBUFD-LLVKDONJSA-N 1 0 283.397 3.109 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC000600140901 347784092 /nfs/dbraw/zinc/78/40/92/347784092.db2.gz AWFBXFNHYOIJND-JTQLQIEISA-N 1 0 284.306 3.161 20 5 CGBDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000601268109 347887269 /nfs/dbraw/zinc/88/72/69/347887269.db2.gz JYTRYPVGITYQMN-QGZVFWFLSA-N 1 0 298.342 3.381 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000601289850 347889423 /nfs/dbraw/zinc/88/94/23/347889423.db2.gz UVAZWYMMBFBPPW-OCCSQVGLSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000601289817 347889464 /nfs/dbraw/zinc/88/94/64/347889464.db2.gz TWPJKSYWGTVSJU-ZFWWWQNUSA-N 1 0 280.368 3.187 20 5 CGBDRO CC1([NH+]2CCCC2)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000601216998 347881722 /nfs/dbraw/zinc/88/17/22/347881722.db2.gz UIVIOZGYHUHDSS-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCSCC1 ZINC000602658528 348002944 /nfs/dbraw/zinc/00/29/44/348002944.db2.gz KAUZZMSWSPBLKJ-UHFFFAOYSA-N 1 0 294.420 3.212 20 5 CGBDRO CCC(F)(F)CN(C)CCc1ccccc1[N+](=O)[O-] ZINC000602833628 348034816 /nfs/dbraw/zinc/03/48/16/348034816.db2.gz YKKLREWQBKMGJW-UHFFFAOYSA-N 1 0 272.295 3.114 20 5 CGBDRO CCC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604013646 348106711 /nfs/dbraw/zinc/10/67/11/348106711.db2.gz ZWOWUGMGCQHPAF-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1CCO[C@H](C)C1 ZINC000273348836 192121927 /nfs/dbraw/zinc/12/19/27/192121927.db2.gz AMIYOTZHJIVSKX-ZIAGYGMSSA-N 1 0 292.379 3.198 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000609120997 348336304 /nfs/dbraw/zinc/33/63/04/348336304.db2.gz RADYTRIOMUJWRD-AWEZNQCLSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609417726 348343922 /nfs/dbraw/zinc/34/39/22/348343922.db2.gz NXJZGZCOYFJUGA-STQMWFEESA-N 1 0 278.352 3.237 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000609839982 348353976 /nfs/dbraw/zinc/35/39/76/348353976.db2.gz ULWMJBXVKHITOD-GFCCVEGCSA-N 1 0 281.331 3.020 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000610002292 348360327 /nfs/dbraw/zinc/36/03/27/348360327.db2.gz WLYPQAQOALTUQZ-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000611335516 348438828 /nfs/dbraw/zinc/43/88/28/348438828.db2.gz DIIZAVNTOJNHDC-LBPRGKRZSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179621 348427160 /nfs/dbraw/zinc/42/71/60/348427160.db2.gz GIEWCXPAIDEEOP-KOLCDFICSA-N 1 0 270.279 3.243 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180548 348427177 /nfs/dbraw/zinc/42/71/77/348427177.db2.gz ZEQQMEYLPLZGFA-VHSXEESVSA-N 1 0 270.279 3.243 20 5 CGBDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611377068 348442982 /nfs/dbraw/zinc/44/29/82/348442982.db2.gz XBBPQJAWOWXHIE-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000611413754 348449732 /nfs/dbraw/zinc/44/97/32/348449732.db2.gz RGBPCIDXSNTOJO-LBPRGKRZSA-N 1 0 297.424 3.436 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCOC1 ZINC000611774782 348475360 /nfs/dbraw/zinc/47/53/60/348475360.db2.gz XFZFIEWKPPTUAP-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619722637 349278947 /nfs/dbraw/zinc/27/89/47/349278947.db2.gz MKKCGNYAIWLHMU-ONGXEEELSA-N 1 0 275.308 3.014 20 5 CGBDRO C[C@H]([NH2+]CC1(C(F)F)CC1)c1cccc([N+](=O)[O-])c1 ZINC000358992927 233235448 /nfs/dbraw/zinc/23/54/48/233235448.db2.gz ABVDJIIZMSPPHF-VIFPVBQESA-N 1 0 270.279 3.291 20 5 CGBDRO COC1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000359672323 233355723 /nfs/dbraw/zinc/35/57/23/233355723.db2.gz CHVVRTACXQFIBQ-UHFFFAOYSA-N 1 0 292.379 3.076 20 5 CGBDRO COC1CCC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361927444 233757503 /nfs/dbraw/zinc/75/75/03/233757503.db2.gz MSNHGPHFLDHCCE-VEAWUBTESA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000134481583 187753341 /nfs/dbraw/zinc/75/33/41/187753341.db2.gz AYPKHJMCTPQHPC-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CCCSC)cc1[N+](=O)[O-] ZINC000153874901 188109022 /nfs/dbraw/zinc/10/90/22/188109022.db2.gz PDBMONHISMLHKW-NSHDSACASA-N 1 0 298.408 3.397 20 5 CGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272000225 191455812 /nfs/dbraw/zinc/45/58/12/191455812.db2.gz NTSZAASEMWWCBD-GDBMZVCRSA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1CNCC1([NH3+])CCCCCC1 ZINC000414863117 235485074 /nfs/dbraw/zinc/48/50/74/235485074.db2.gz WTYRLYPNAMBRQQ-UHFFFAOYSA-N 1 0 291.395 3.045 20 5 CGBDRO Cc1c([C@H](C)N[C@@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499753 236087147 /nfs/dbraw/zinc/08/71/47/236087147.db2.gz JORXGUZBENBQCW-WFASDCNBSA-N 1 0 291.395 3.071 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000230674120 138507694 /nfs/dbraw/zinc/50/76/94/138507694.db2.gz CBIZZSAPHNKLIR-DGCLKSJQSA-N 1 0 278.352 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000426475639 236298262 /nfs/dbraw/zinc/29/82/62/236298262.db2.gz YSAIHKBBWATIDZ-ZWNOBZJWSA-N 1 0 264.300 3.108 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341968285 216170696 /nfs/dbraw/zinc/17/06/96/216170696.db2.gz ARZPQRFBFCIZCK-BBRMVZONSA-N 1 0 290.363 3.158 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C1CCCC1 ZINC000341990681 216178525 /nfs/dbraw/zinc/17/85/25/216178525.db2.gz MBILOGDKVYDQGS-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO Cc1cccc(NC[C@H]2CC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC000218845080 376189723 /nfs/dbraw/zinc/18/97/23/376189723.db2.gz DNJUTUCKRGDBEX-CYBMUJFWSA-N 1 0 277.368 3.045 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1CCCOC1 ZINC000182158032 189315469 /nfs/dbraw/zinc/31/54/69/189315469.db2.gz LEKCKDAVPYWONX-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO CCCC[N@H+](CCCO)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000182156884 189315840 /nfs/dbraw/zinc/31/58/40/189315840.db2.gz HBCGXAIQHWKCCR-ZDUSSCGKSA-N 1 0 280.368 3.140 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000182996657 189342372 /nfs/dbraw/zinc/34/23/72/189342372.db2.gz ZENWBEDBHXUAAK-CYBMUJFWSA-N 1 0 292.379 3.323 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000183039551 189344032 /nfs/dbraw/zinc/34/40/32/189344032.db2.gz PZVHORCWJBFYMD-VHSXEESVSA-N 1 0 277.324 3.260 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301773973 201188873 /nfs/dbraw/zinc/18/88/73/201188873.db2.gz GQJQADVPMSSVCH-JTQLQIEISA-N 1 0 299.321 3.017 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301805792 201208435 /nfs/dbraw/zinc/20/84/35/201208435.db2.gz VSKSNCRSXZQGLH-JTQLQIEISA-N 1 0 299.321 3.159 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1cccc(C)c1[N+](=O)[O-] ZINC000218843576 376190351 /nfs/dbraw/zinc/19/03/51/376190351.db2.gz YULNUWALMGRZPE-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO CC1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000353271883 220001570 /nfs/dbraw/zinc/00/15/70/220001570.db2.gz IKHKPYQQTDTYMM-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CCC(C)C)cc1[N+](=O)[O-] ZINC000482816759 243243792 /nfs/dbraw/zinc/24/37/92/243243792.db2.gz CPQFZVBYMXKNEO-DZGCQCFKSA-N 1 0 294.395 3.351 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000483874481 243301082 /nfs/dbraw/zinc/30/10/82/243301082.db2.gz VNHDFZGKIDHADP-SGIREYDYSA-N 1 0 292.379 3.449 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)CC2(C)C)cc1[N+](=O)[O-] ZINC000330619502 203046535 /nfs/dbraw/zinc/04/65/35/203046535.db2.gz ZCOCPMKVJOPRLG-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@H]([NH2+]CCOCC)c1cccc([N+](=O)[O-])c1 ZINC000036228459 369013718 /nfs/dbraw/zinc/01/37/18/369013718.db2.gz ZHQFDLAVLUNKPK-AWEZNQCLSA-N 1 0 266.341 3.062 20 5 CGBDRO CC(C)[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000036819307 369030384 /nfs/dbraw/zinc/03/03/84/369030384.db2.gz DWFXOSPPCFHTGA-UHFFFAOYSA-N 1 0 260.293 3.353 20 5 CGBDRO CC(C)[NH+](CCN[C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000037176819 369074299 /nfs/dbraw/zinc/07/42/99/369074299.db2.gz KXMMEZFPOCNBCJ-CQSZACIVSA-N 1 0 293.411 3.364 20 5 CGBDRO COc1ccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037668288 369099095 /nfs/dbraw/zinc/09/90/95/369099095.db2.gz XFTMLENPKGZZCO-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000492777718 244023071 /nfs/dbraw/zinc/02/30/71/244023071.db2.gz ZACJVPVWJMQURZ-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO CCOC(CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000276310082 193282944 /nfs/dbraw/zinc/28/29/44/193282944.db2.gz OJRIMNLIDXNINM-LBPRGKRZSA-N 1 0 296.367 3.035 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCOC2CCCCC2)cs1 ZINC000070168414 369786810 /nfs/dbraw/zinc/78/68/10/369786810.db2.gz MTIJRZNZTHEJSZ-UHFFFAOYSA-N 1 0 284.381 3.095 20 5 CGBDRO CC[C@@H](COC)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000079737439 369976948 /nfs/dbraw/zinc/97/69/48/369976948.db2.gz VAVHLZPHBJQOIZ-JSGCOSHPSA-N 1 0 266.341 3.061 20 5 CGBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000077357094 369946315 /nfs/dbraw/zinc/94/63/15/369946315.db2.gz BHOZPUKCHOUYQW-UHFFFAOYSA-N 1 0 262.353 3.400 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCOC1CCCCC1 ZINC000112017754 370409395 /nfs/dbraw/zinc/40/93/95/370409395.db2.gz SZNXAFCEHKIGLR-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000130915194 371070395 /nfs/dbraw/zinc/07/03/95/371070395.db2.gz RBONBRARLVZGBG-OLZOCXBDSA-N 1 0 291.395 3.037 20 5 CGBDRO CSCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135467246 371429543 /nfs/dbraw/zinc/42/95/43/371429543.db2.gz HVDLWDKLNRHNIJ-LLVKDONJSA-N 1 0 268.382 3.389 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000291101830 372116265 /nfs/dbraw/zinc/11/62/65/372116265.db2.gz DSPNWDLPUYZGBV-LRDDRELGSA-N 1 0 292.379 3.369 20 5 CGBDRO CC(C)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000291238434 372144740 /nfs/dbraw/zinc/14/47/40/372144740.db2.gz LABFURJPTZVFSM-GFCCVEGCSA-N 1 0 298.770 3.248 20 5 CGBDRO CCOC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000292841933 372223517 /nfs/dbraw/zinc/22/35/17/372223517.db2.gz BDIXXSUQBBGLAJ-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429298751 372346099 /nfs/dbraw/zinc/34/60/99/372346099.db2.gz FTBQQIWMVJSWCH-LLVKDONJSA-N 1 0 298.383 3.309 20 5 CGBDRO COC1(CC[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000293650924 372437079 /nfs/dbraw/zinc/43/70/79/372437079.db2.gz SKXBYGQDYHOVRG-UHFFFAOYSA-N 1 0 292.379 3.028 20 5 CGBDRO CC[C@@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163974659 372502476 /nfs/dbraw/zinc/50/24/76/372502476.db2.gz ZRCKNDFORCELPJ-BYCMXARLSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432321987 372558853 /nfs/dbraw/zinc/55/88/53/372558853.db2.gz JQKIRIVSPAAMEI-ZJUUUORDSA-N 1 0 295.770 3.285 20 5 CGBDRO CC[C@@H](O)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167389753 372594587 /nfs/dbraw/zinc/59/45/87/372594587.db2.gz NYKVNWIQYLJBKR-GFCCVEGCSA-N 1 0 289.335 3.024 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC(C)(F)F ZINC000295950385 372971440 /nfs/dbraw/zinc/97/14/40/372971440.db2.gz HAETULBDEWXTPT-UHFFFAOYSA-N 1 0 258.268 3.038 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173424683 373139766 /nfs/dbraw/zinc/13/97/66/373139766.db2.gz BGLZVKLUZNQKNM-FZMZJTMJSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000173440169 373142658 /nfs/dbraw/zinc/14/26/58/373142658.db2.gz CFRMDPSXTQHTKO-GFCCVEGCSA-N 1 0 280.368 3.044 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C ZINC000174421079 373313569 /nfs/dbraw/zinc/31/35/69/373313569.db2.gz JBUTXNOYWLMHQD-GFCCVEGCSA-N 1 0 278.352 3.366 20 5 CGBDRO COC[C@@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353607874 220186535 /nfs/dbraw/zinc/18/65/35/220186535.db2.gz BWLQSRYUPIYSPZ-CQSZACIVSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000447057712 373396553 /nfs/dbraw/zinc/39/65/53/373396553.db2.gz DUSPYFZIOLGMET-INIZCTEOSA-N 1 0 292.379 3.376 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc3c(c2)COC3)cc1[N+](=O)[O-] ZINC000345035156 217392088 /nfs/dbraw/zinc/39/20/88/217392088.db2.gz GDVMDJHGTIUYTL-UHFFFAOYSA-N 1 0 298.342 3.223 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301104175 373660715 /nfs/dbraw/zinc/66/07/15/373660715.db2.gz POQXTBRRRTWIIE-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCSC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527806 373825122 /nfs/dbraw/zinc/82/51/22/373825122.db2.gz LCUAHOQXAGYZJS-OAHLLOKOSA-N 1 0 292.404 3.231 20 5 CGBDRO CCO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449499827 373796504 /nfs/dbraw/zinc/79/65/04/373796504.db2.gz MIBDFRYRCIWOFG-CJNGLKHVSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1cccc(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000302514378 373885941 /nfs/dbraw/zinc/88/59/41/373885941.db2.gz UPJHEKQYCHNHQB-CQSZACIVSA-N 1 0 291.395 3.293 20 5 CGBDRO COC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000180197375 373977267 /nfs/dbraw/zinc/97/72/67/373977267.db2.gz NIAXZKMSYNANLC-LBPRGKRZSA-N 1 0 278.352 3.123 20 5 CGBDRO CC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000308511297 374169815 /nfs/dbraw/zinc/16/98/15/374169815.db2.gz HWCQMEYSOSRUNS-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311851947 374260191 /nfs/dbraw/zinc/26/01/91/374260191.db2.gz ISQMRJYJZVSTHK-GHMZBOCLSA-N 1 0 266.316 3.260 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314499425 374316920 /nfs/dbraw/zinc/31/69/20/374316920.db2.gz RMCLDKFNJPIQMN-BFHYXJOUSA-N 1 0 292.379 3.044 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000182740560 374319088 /nfs/dbraw/zinc/31/90/88/374319088.db2.gz PQYSLPMXKXCPGH-CHWSQXEVSA-N 1 0 278.352 3.075 20 5 CGBDRO CSCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182849690 374334472 /nfs/dbraw/zinc/33/44/72/374334472.db2.gz BYCOUERKRWVCKU-LLVKDONJSA-N 1 0 268.382 3.259 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(O)CCCCCC1 ZINC000183481435 374418034 /nfs/dbraw/zinc/41/80/34/374418034.db2.gz DIYDLJWOHZRYPG-UHFFFAOYSA-N 1 0 292.379 3.078 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636487 374703023 /nfs/dbraw/zinc/70/30/23/374703023.db2.gz RVWBYZIBCINOLH-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185584870 374694131 /nfs/dbraw/zinc/69/41/31/374694131.db2.gz PWSMZBBJQQOREB-SWLSCSKDSA-N 1 0 298.342 3.249 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464782276 374898900 /nfs/dbraw/zinc/89/89/00/374898900.db2.gz WLWAMWVKNZVYQS-INIZCTEOSA-N 1 0 292.379 3.486 20 5 CGBDRO CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189112239 375327473 /nfs/dbraw/zinc/32/74/73/375327473.db2.gz HDPDGTAHLBYCEB-RYUDHWBXSA-N 1 0 280.368 3.231 20 5 CGBDRO COCC(C)(C)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000494152396 375483894 /nfs/dbraw/zinc/48/38/94/375483894.db2.gz JNEXTMONGPYVBD-UHFFFAOYSA-N 1 0 294.395 3.180 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC(C)C ZINC000507133261 375676906 /nfs/dbraw/zinc/67/69/06/375676906.db2.gz UVRYPQJNZHVVMG-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CCOCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192697961 375780127 /nfs/dbraw/zinc/78/01/27/375780127.db2.gz QOKCDGMHCYHOSU-MRXNPFEDSA-N 1 0 292.379 3.379 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000336829435 375988866 /nfs/dbraw/zinc/98/88/66/375988866.db2.gz AJJNEIRDQWUNSI-ABAIWWIYSA-N 1 0 278.327 3.498 20 5 CGBDRO CC[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000538390772 376237510 /nfs/dbraw/zinc/23/75/10/376237510.db2.gz WKDWMJVBBXEYLM-CQSZACIVSA-N 1 0 280.368 3.388 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223502510 376255687 /nfs/dbraw/zinc/25/56/87/376255687.db2.gz ZGKXLQVJOSEPBH-DOMZBBRYSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC[C@@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000540506944 376378431 /nfs/dbraw/zinc/37/84/31/376378431.db2.gz DAXWAAXKKJSGCK-GFCCVEGCSA-N 1 0 250.342 3.463 20 5 CGBDRO Cc1cc(NCC(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228485695 376438969 /nfs/dbraw/zinc/43/89/69/376438969.db2.gz HIDGJYRFESYEBA-UHFFFAOYSA-N 1 0 267.235 3.128 20 5 CGBDRO Cc1cnccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000228659128 376444613 /nfs/dbraw/zinc/44/46/13/376444613.db2.gz HKGINSLDWDHIRT-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1cnccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000228661049 376444625 /nfs/dbraw/zinc/44/46/25/376444625.db2.gz MMWXKAKGSFZSJK-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000230674111 376530695 /nfs/dbraw/zinc/53/06/95/376530695.db2.gz CBIZZSAPHNKLIR-WCQYABFASA-N 1 0 278.352 3.129 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000237161541 376731427 /nfs/dbraw/zinc/73/14/27/376731427.db2.gz OZOKEWVAYJBNRU-HOCLYGCPSA-N 1 0 292.379 3.196 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000245774727 376905372 /nfs/dbraw/zinc/90/53/72/376905372.db2.gz OMQODYLKIWLXBY-KSYCFECVSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000556921609 376907242 /nfs/dbraw/zinc/90/72/42/376907242.db2.gz QCXJXWLCTNPOON-RDBSUJKOSA-N 1 0 292.379 3.226 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558129074 376976385 /nfs/dbraw/zinc/97/63/85/376976385.db2.gz NQSDYFWSQRIZSC-XHDPSFHLSA-N 1 0 287.363 3.397 20 5 CGBDRO CC1(C)OCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000557329710 376931313 /nfs/dbraw/zinc/93/13/13/376931313.db2.gz ILCABKRZXRGBRZ-HNNXBMFYSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000558620896 377027448 /nfs/dbraw/zinc/02/74/48/377027448.db2.gz UYQHODLIOQDYNZ-KCXAZCMYSA-N 1 0 290.363 3.142 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000246420633 377028559 /nfs/dbraw/zinc/02/85/59/377028559.db2.gz NEUMYYGBYSCINE-BYCMXARLSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCCCO ZINC000560349191 377143739 /nfs/dbraw/zinc/14/37/39/377143739.db2.gz APRKOYIBZMQQRO-CHWSQXEVSA-N 1 0 280.368 3.105 20 5 CGBDRO COC[C@H](C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521771 377324135 /nfs/dbraw/zinc/32/41/35/377324135.db2.gz WBHAGVYGMLFXNF-HIFRSBDPSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](C)C[NH+]2CCCC2)c1 ZINC000094659657 249042199 /nfs/dbraw/zinc/04/21/99/249042199.db2.gz MFDPVXVKIMMRQJ-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000094659658 249042241 /nfs/dbraw/zinc/04/22/41/249042241.db2.gz MFDPVXVKIMMRQJ-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CCCC2)c(F)c1 ZINC000313272261 249090209 /nfs/dbraw/zinc/09/02/09/249090209.db2.gz QMJGHINHMDKBAL-UHFFFAOYSA-N 1 0 296.342 3.030 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178659067 284647009 /nfs/dbraw/zinc/64/70/09/284647009.db2.gz IAOPQASKVRTKRE-NEPJUHHUSA-N 1 0 280.368 3.449 20 5 CGBDRO Cc1cc(NCCC[NH+]2CCC(C)CC2)ccc1[N+](=O)[O-] ZINC000515540527 249214568 /nfs/dbraw/zinc/21/45/68/249214568.db2.gz YPTALUBIOZWUGO-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000517044416 249256020 /nfs/dbraw/zinc/25/60/20/249256020.db2.gz AMSVNTOYLUHEQX-WQAKAFBOSA-N 1 0 252.289 3.136 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOCC1CCC1 ZINC000574011135 377607437 /nfs/dbraw/zinc/60/74/37/377607437.db2.gz PLTDUQNMQSVVLB-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255228245 377743663 /nfs/dbraw/zinc/74/36/63/377743663.db2.gz VFUNZRGRCKKOFE-ALCCZGGFSA-N 1 0 260.337 3.482 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCC23CC3)c1 ZINC000575196773 377761359 /nfs/dbraw/zinc/76/13/59/377761359.db2.gz XOZQZMZQZZKFKC-CQSZACIVSA-N 1 0 260.337 3.060 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000343924621 378135598 /nfs/dbraw/zinc/13/55/98/378135598.db2.gz XLCGGBGPXNLNJY-GFCCVEGCSA-N 1 0 281.331 3.020 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000343924622 378135727 /nfs/dbraw/zinc/13/57/27/378135727.db2.gz XLCGGBGPXNLNJY-LBPRGKRZSA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000579814739 378197253 /nfs/dbraw/zinc/19/72/53/378197253.db2.gz DELKLFMCIVACKW-VXGBXAGGSA-N 1 0 260.337 3.354 20 5 CGBDRO CCC1(CO)CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270866755 378407488 /nfs/dbraw/zinc/40/74/88/378407488.db2.gz IYLIJSAPCFBZSA-ZDUSSCGKSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+](CCCCCCO)C2CC2)cc1 ZINC000270902483 378412482 /nfs/dbraw/zinc/41/24/82/378412482.db2.gz OSWVRANJNKYBNG-UHFFFAOYSA-N 1 0 292.379 3.112 20 5 CGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000271967035 378533399 /nfs/dbraw/zinc/53/33/99/378533399.db2.gz HEOMSNPGELSKAF-LSDHHAIUSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272518050 378655709 /nfs/dbraw/zinc/65/57/09/378655709.db2.gz KYMVUSYYLVLNKS-IOASZLSFSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000346798757 218017599 /nfs/dbraw/zinc/01/75/99/218017599.db2.gz NKYJPOCDPKZEIY-YDHLFZDLSA-N 1 0 291.395 3.037 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000348180061 378825643 /nfs/dbraw/zinc/82/56/43/378825643.db2.gz JXQTVHHVMFWMTC-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO C[C@@H]([NH2+]CCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266451866 190258317 /nfs/dbraw/zinc/25/83/17/190258317.db2.gz JUIONSDFXQOCJG-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000349358961 379246478 /nfs/dbraw/zinc/24/64/78/379246478.db2.gz XTKFGUPQDDMUAP-HZMBPMFUSA-N 1 0 292.360 3.041 20 5 CGBDRO CCCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1C ZINC000349370597 379253923 /nfs/dbraw/zinc/25/39/23/379253923.db2.gz RNEQLFUTMTXYGU-UHFFFAOYSA-N 1 0 293.411 3.067 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccon1 ZINC000349832941 379410812 /nfs/dbraw/zinc/41/08/12/379410812.db2.gz KLUCLKIXAPAMIX-NEPJUHHUSA-N 1 0 289.335 3.255 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000377700931 379724984 /nfs/dbraw/zinc/72/49/84/379724984.db2.gz JZILPJAVWVKZFV-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541267 379848161 /nfs/dbraw/zinc/84/81/61/379848161.db2.gz VTLIPFQDELSBQF-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@]1([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCOC1 ZINC000378778722 379857898 /nfs/dbraw/zinc/85/78/98/379857898.db2.gz NPLMBKRTWQUOFQ-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000267615602 190341859 /nfs/dbraw/zinc/34/18/59/190341859.db2.gz OYVRCVKJIDPHEA-UHFFFAOYSA-N 1 0 289.335 3.358 20 5 CGBDRO CC[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402251314 379962344 /nfs/dbraw/zinc/96/23/44/379962344.db2.gz ADYBZBXKEBRRLZ-CJNGLKHVSA-N 1 0 292.379 3.452 20 5 CGBDRO COCC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414307988 380211414 /nfs/dbraw/zinc/21/14/14/380211414.db2.gz HTRPVQKTKHKZRM-DNOWBOINSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CS1 ZINC000414502155 380277499 /nfs/dbraw/zinc/27/74/99/380277499.db2.gz OUAUZNBGSPKUGE-CBHWHFHUSA-N 1 0 278.377 3.092 20 5 CGBDRO C[NH2+]Cc1cccc(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414859616 380460527 /nfs/dbraw/zinc/46/05/27/380460527.db2.gz BGPMEIOHGHKIAW-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO CC[C@@H](CCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310763 380589725 /nfs/dbraw/zinc/58/97/25/380589725.db2.gz KTYBDNNQMJXLRW-XJKSGUPXSA-N 1 0 292.379 3.113 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417376662 380612451 /nfs/dbraw/zinc/61/24/51/380612451.db2.gz RKZGAHWOKFRHCH-DOMZBBRYSA-N 1 0 280.368 3.307 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC23CCSCC3)cs1 ZINC000421352934 380892328 /nfs/dbraw/zinc/89/23/28/380892328.db2.gz OURXBALEYLNPOG-NSHDSACASA-N 1 0 298.433 3.279 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)C)c([N+](=O)[O-])cc1F ZINC000361616819 381840797 /nfs/dbraw/zinc/84/07/97/381840797.db2.gz PZOVFUMMCNMQEF-SNVBAGLBSA-N 1 0 284.331 3.219 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000362437483 381991818 /nfs/dbraw/zinc/99/18/18/381991818.db2.gz KCLXDZYEJWCBJU-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000349358963 218854275 /nfs/dbraw/zinc/85/42/75/218854275.db2.gz XTKFGUPQDDMUAP-QMTHXVAHSA-N 1 0 292.360 3.041 20 5 CGBDRO Cc1ncsc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289380679 197320292 /nfs/dbraw/zinc/32/02/92/197320292.db2.gz MMEIZCOLTUFHRW-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])o1 ZINC000350240110 219002069 /nfs/dbraw/zinc/00/20/69/219002069.db2.gz AEFVROVRYAJFRR-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO COC1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000350285133 219004736 /nfs/dbraw/zinc/00/47/36/219004736.db2.gz FAWPXZXRAHAIQV-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOC1)CCCC2 ZINC000417325413 285145220 /nfs/dbraw/zinc/14/52/20/285145220.db2.gz BYFIHHRKRUZKHA-CZUORRHYSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003286 542414041 /nfs/dbraw/zinc/41/40/41/542414041.db2.gz TXABPAOYWWMXBC-WDEREUQCSA-N 1 0 283.397 3.189 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000357029713 533584726 /nfs/dbraw/zinc/58/47/26/533584726.db2.gz WPEZDKKSKTXHOD-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc(C[NH2+]C23CCC(CC2)CC3)cc1[N+](=O)[O-] ZINC000449537057 533659290 /nfs/dbraw/zinc/65/92/90/533659290.db2.gz QXVGTNWDBGWPRX-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO CC(C)[NH+]1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000020526251 391940142 /nfs/dbraw/zinc/94/01/42/391940142.db2.gz VYUDNSZMAFGFEV-CYBMUJFWSA-N 1 0 291.395 3.118 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](C)C1 ZINC000361647233 392285143 /nfs/dbraw/zinc/28/51/43/392285143.db2.gz XJMJSNXEUIIKPL-ZFWWWQNUSA-N 1 0 292.379 3.232 20 5 CGBDRO C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000361931656 392365665 /nfs/dbraw/zinc/36/56/65/392365665.db2.gz XRPMVMCZJYTAIK-RYUDHWBXSA-N 1 0 274.320 3.470 20 5 CGBDRO CS[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428359 392558522 /nfs/dbraw/zinc/55/85/22/392558522.db2.gz VGGKQZHQASHVGQ-WDEREUQCSA-N 1 0 266.366 3.093 20 5 CGBDRO Cc1cc(N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581047 392676411 /nfs/dbraw/zinc/67/64/11/392676411.db2.gz DQJLKSMDZFISQI-OCCSQVGLSA-N 1 0 291.395 3.436 20 5 CGBDRO CCOC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182685102 392748259 /nfs/dbraw/zinc/74/82/59/392748259.db2.gz BMEVWDVFMKLUQI-ZDUSSCGKSA-N 1 0 292.379 3.465 20 5 CGBDRO COc1cc(C[N@H+](C)CCC(C)C)c([N+](=O)[O-])cc1F ZINC000184248266 392762103 /nfs/dbraw/zinc/76/21/03/392762103.db2.gz CFLLWTOGNCSRKK-UHFFFAOYSA-N 1 0 284.331 3.220 20 5 CGBDRO CN(Cc1ccc2c[nH]nc2c1)Cc1ccccc1[N+](=O)[O-] ZINC000179315248 392695919 /nfs/dbraw/zinc/69/59/19/392695919.db2.gz WEWIQCQFYGWPBN-UHFFFAOYSA-N 1 0 296.330 3.103 20 5 CGBDRO C[C@H]1CC[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738923 392817865 /nfs/dbraw/zinc/81/78/65/392817865.db2.gz OVXFQFNJTKHJQV-BLLLJJGKSA-N 1 0 290.363 3.127 20 5 CGBDRO CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000520172793 392906502 /nfs/dbraw/zinc/90/65/02/392906502.db2.gz ZLMMLBBFJWRMLX-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000194632249 392934119 /nfs/dbraw/zinc/93/41/19/392934119.db2.gz YPYRRKXDAOQJFR-OAHLLOKOSA-N 1 0 294.395 3.215 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414217899 393043885 /nfs/dbraw/zinc/04/38/85/393043885.db2.gz YXRIXJPOKQEYKH-OAGGEKHMSA-N 1 0 290.363 3.129 20 5 CGBDRO CC[C@]1(C)CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000468114805 393125056 /nfs/dbraw/zinc/12/50/56/393125056.db2.gz GVWOAIUOJIDEEA-OAHLLOKOSA-N 1 0 262.353 3.259 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000255774235 393133297 /nfs/dbraw/zinc/13/32/97/393133297.db2.gz OSCXCSPUSTYQQV-RYWCDNDXSA-N 1 0 278.377 3.045 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCSCC1 ZINC000470172947 393229273 /nfs/dbraw/zinc/22/92/73/393229273.db2.gz FWLNOTOEIQKWSC-FMIVXFBMSA-N 1 0 278.377 3.047 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C ZINC000470174913 393230035 /nfs/dbraw/zinc/23/00/35/393230035.db2.gz NVSJNCAXAIVNEY-SRXBQZRASA-N 1 0 260.337 3.482 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCSC1 ZINC000470180400 393231539 /nfs/dbraw/zinc/23/15/39/393231539.db2.gz MPKUYIAAZINNQJ-JQVXPOPVSA-N 1 0 292.404 3.435 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H]2c2ccccc2)c1 ZINC000471174231 393276495 /nfs/dbraw/zinc/27/64/95/393276495.db2.gz YPUXVAZARSKVBP-KRWDZBQOSA-N 1 0 298.342 3.421 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)c1 ZINC000356270439 393402847 /nfs/dbraw/zinc/40/28/47/393402847.db2.gz AKMXMFPEHHPZAX-HNNXBMFYSA-N 1 0 272.348 3.359 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000475725331 393413454 /nfs/dbraw/zinc/41/34/54/393413454.db2.gz YCWLQOLBIRWQCJ-AGIUHOORSA-N 1 0 292.379 3.470 20 5 CGBDRO C[C@@H](CCC[NH3+])Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420262748 393444979 /nfs/dbraw/zinc/44/49/79/393444979.db2.gz RYZRDKHZRYZJSP-ZETCQYMHSA-N 1 0 292.166 3.441 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@H](C)C1 ZINC000430212132 393540814 /nfs/dbraw/zinc/54/08/14/393540814.db2.gz ZOCJIDKLDHQMPI-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO CC1=C[C@H](C)CN(Cc2csc([N+](=O)[O-])c2)C1 ZINC000430272747 393553801 /nfs/dbraw/zinc/55/38/01/393553801.db2.gz BEXWHTOXBSCCDZ-VIFPVBQESA-N 1 0 252.339 3.054 20 5 CGBDRO CCC[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397860 393665882 /nfs/dbraw/zinc/66/58/82/393665882.db2.gz VAIFRMOOTZDNLY-XPKDYRNWSA-N 1 0 291.395 3.166 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC[C@@H]1CCOC1 ZINC000449687003 393942394 /nfs/dbraw/zinc/94/23/94/393942394.db2.gz ZNWXRKPIFGCEHN-HJHHMULASA-N 1 0 290.363 3.014 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000453407107 394236776 /nfs/dbraw/zinc/23/67/76/394236776.db2.gz DHQDAGCJGREGPW-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000119999811 292297090 /nfs/dbraw/zinc/29/70/90/292297090.db2.gz IKQCICXUPUFINT-RCBQFDQVSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2C)CCS1 ZINC000076073200 165108412 /nfs/dbraw/zinc/10/84/12/165108412.db2.gz OWFRSGPXCAELSA-ZDUSSCGKSA-N 1 0 280.393 3.231 20 5 CGBDRO CCC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000090538817 287102375 /nfs/dbraw/zinc/10/23/75/287102375.db2.gz XTOHNVPNAJCBKT-HNNXBMFYSA-N 1 0 294.399 3.130 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090535805 165241288 /nfs/dbraw/zinc/24/12/88/165241288.db2.gz HXBJICNHYPYEDA-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@H]([NH2+]C[C@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797213 165392598 /nfs/dbraw/zinc/39/25/98/165392598.db2.gz KIUDTPPVZCOAFZ-GJZGRUSLSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000121406097 287197947 /nfs/dbraw/zinc/19/79/47/287197947.db2.gz XALSZJSZLPQIJH-MLGOLLRUSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000284220085 196006568 /nfs/dbraw/zinc/00/65/68/196006568.db2.gz TZJLWRWPHRTOKS-SNVBAGLBSA-N 1 0 291.376 3.398 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000020141372 171028015 /nfs/dbraw/zinc/02/80/15/171028015.db2.gz XFZHMSNYHCBBMH-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020201861 171066408 /nfs/dbraw/zinc/06/64/08/171066408.db2.gz BEVCTYCWDBVHER-CJNGLKHVSA-N 1 0 293.411 3.222 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000020208775 171073215 /nfs/dbraw/zinc/07/32/15/171073215.db2.gz DAAFSJQDWXCDKE-ZOWXZIJZSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285430039 196282527 /nfs/dbraw/zinc/28/25/27/196282527.db2.gz HLKBASOKNVXPOQ-QWRGUYRKSA-N 1 0 298.770 3.010 20 5 CGBDRO CCC[C@@H]([NH2+]CCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044656694 175225801 /nfs/dbraw/zinc/22/58/01/175225801.db2.gz LUFBMLGVTKYGBO-OAHLLOKOSA-N 1 0 280.368 3.452 20 5 CGBDRO O=[N+]([O-])c1ccc(CSCC[NH+]2CCCCC2)cc1 ZINC000131327975 287376262 /nfs/dbraw/zinc/37/62/62/287376262.db2.gz IFVPJGDFZLDXFC-UHFFFAOYSA-N 1 0 280.393 3.314 20 5 CGBDRO CCOc1cccc(N[C@@H](C)C[NH+](CC)CC)c1[N+](=O)[O-] ZINC000134915529 287456345 /nfs/dbraw/zinc/45/63/45/287456345.db2.gz XNWIVIROAKVWKS-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000189714636 287572853 /nfs/dbraw/zinc/57/28/53/287572853.db2.gz VHNNIBNWXDIBKQ-LBPRGKRZSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(F)c2F)cc1 ZINC000040676075 270030051 /nfs/dbraw/zinc/03/00/51/270030051.db2.gz QORXWYKQZSLVEL-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1C ZINC000041677514 270031195 /nfs/dbraw/zinc/03/11/95/270031195.db2.gz NRYNFXCFYSRJEF-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042123215 270031605 /nfs/dbraw/zinc/03/16/05/270031605.db2.gz BMABQYDVDKUOJK-NSHDSACASA-N 1 0 260.337 3.358 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000042276722 270032076 /nfs/dbraw/zinc/03/20/76/270032076.db2.gz VXQFYXHRNSPMCX-NSHDSACASA-N 1 0 297.786 3.390 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000322621297 270093981 /nfs/dbraw/zinc/09/39/81/270093981.db2.gz NQVSYIBISWAVMH-SWLSCSKDSA-N 1 0 280.368 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000324696077 270094382 /nfs/dbraw/zinc/09/43/82/270094382.db2.gz SBSBIEZVTUBOLA-OAHLLOKOSA-N 1 0 260.337 3.263 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530513346 270200616 /nfs/dbraw/zinc/20/06/16/270200616.db2.gz KYCMPKBDJOVQNH-ZDUSSCGKSA-N 1 0 294.395 3.495 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)C1 ZINC000532780019 270219417 /nfs/dbraw/zinc/21/94/17/270219417.db2.gz BEVRJCUUVCJLFY-QWHCGFSZSA-N 1 0 262.353 3.463 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000533250028 270222436 /nfs/dbraw/zinc/22/24/36/270222436.db2.gz PJEKUWUXDLYEHA-LLVKDONJSA-N 1 0 280.368 3.470 20 5 CGBDRO COC1(C[C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000277197542 274015224 /nfs/dbraw/zinc/01/52/24/274015224.db2.gz VIPDRZZYHYQPMP-LBPRGKRZSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H]([NH3+])[C@H](C)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420263242 274240148 /nfs/dbraw/zinc/24/01/48/274240148.db2.gz NLXZQCFABGIARR-RITPCOANSA-N 1 0 278.139 3.049 20 5 CGBDRO C[C@H](CCCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279075069 274475855 /nfs/dbraw/zinc/47/58/55/274475855.db2.gz MBVYWPXYQIVANF-IAQYHMDHSA-N 1 0 292.379 3.068 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000252969282 287846451 /nfs/dbraw/zinc/84/64/51/287846451.db2.gz VZDHYRQJJROIMQ-AULYBMBSSA-N 1 0 278.352 3.272 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433065611 276332042 /nfs/dbraw/zinc/33/20/42/276332042.db2.gz DDKOERXEGIVLFJ-XHDPSFHLSA-N 1 0 292.379 3.332 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000300404454 277679406 /nfs/dbraw/zinc/67/94/06/277679406.db2.gz ZUGKZFYCKZJULI-LERXQTSPSA-N 1 0 278.352 3.059 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000397607258 288025024 /nfs/dbraw/zinc/02/50/24/288025024.db2.gz BFFYJWJLTZXOJY-RISCZKNCSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000515388671 278286792 /nfs/dbraw/zinc/28/67/92/278286792.db2.gz GEJDVFGZGKFLNH-KWQFWETISA-N 1 0 288.269 3.370 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340461262 278302831 /nfs/dbraw/zinc/30/28/31/278302831.db2.gz MHEYUTSZFWMSHA-YGRLFVJLSA-N 1 0 266.316 3.310 20 5 CGBDRO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453318179 278340187 /nfs/dbraw/zinc/34/01/87/278340187.db2.gz ZZNHZLAHBWZKQT-GFCCVEGCSA-N 1 0 296.342 3.012 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000182763291 278348108 /nfs/dbraw/zinc/34/81/08/278348108.db2.gz QMSQWLGHHYNQAQ-DOMZBBRYSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038028838 278353010 /nfs/dbraw/zinc/35/30/10/278353010.db2.gz XGOJFKQEHGHESM-UONOGXRCSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414287716 288046735 /nfs/dbraw/zinc/04/67/35/288046735.db2.gz UMHBLXSPXZFNHT-LMWOUKEDSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000341894347 288082678 /nfs/dbraw/zinc/08/26/78/288082678.db2.gz ZZZDSWRURZUCEC-DYEKYZERSA-N 1 0 278.352 3.061 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C)n1 ZINC000527304298 288165227 /nfs/dbraw/zinc/16/52/27/288165227.db2.gz SAXIWRYFKWZFEB-LCYFTJDESA-N 1 0 297.358 3.491 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(C)n1 ZINC000527304299 288165257 /nfs/dbraw/zinc/16/52/57/288165257.db2.gz SAXIWRYFKWZFEB-UKTHLTGXSA-N 1 0 297.358 3.491 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccncc1 ZINC000531993605 288348787 /nfs/dbraw/zinc/34/87/87/288348787.db2.gz IPVSBKWRWIYWRM-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1cccc(NC2CC[NH+](CC(C)C)CC2)c1[N+](=O)[O-] ZINC000549109323 289035154 /nfs/dbraw/zinc/03/51/54/289035154.db2.gz PYMGSUHBIFQEDH-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000553614440 289231943 /nfs/dbraw/zinc/23/19/43/289231943.db2.gz BIGWVZCTBGYCHU-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000555156609 289330309 /nfs/dbraw/zinc/33/03/09/289330309.db2.gz TUDBQBMVNVYEBN-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000132473856 290008523 /nfs/dbraw/zinc/00/85/23/290008523.db2.gz DLBHAUPNAMPIDU-CMPLNLGQSA-N 1 0 266.366 3.141 20 5 CGBDRO CCCC[N@H+](CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000567128336 322152116 /nfs/dbraw/zinc/15/21/16/322152116.db2.gz WYMMNMUHYLOBIZ-UHFFFAOYSA-N 1 0 294.399 3.226 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900130 322360827 /nfs/dbraw/zinc/36/08/27/322360827.db2.gz WNNMUHJKGRULNI-FZMZJTMJSA-N 1 0 292.379 3.375 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575325740 322481721 /nfs/dbraw/zinc/48/17/21/322481721.db2.gz AYUCPWRVQNFMRC-CQDKDKBSSA-N 1 0 280.368 3.103 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000575825417 322491970 /nfs/dbraw/zinc/49/19/70/322491970.db2.gz KMUTWIGAHSSBKQ-TUAOUCFPSA-N 1 0 270.279 3.289 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CSC1(C)C ZINC000584160362 327053149 /nfs/dbraw/zinc/05/31/49/327053149.db2.gz FWTXIYUNKKBMFG-SMJHDNPOSA-N 1 0 292.404 3.482 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000394034658 329095510 /nfs/dbraw/zinc/09/55/10/329095510.db2.gz NKIOJKGUDXDLQV-HOCLYGCPSA-N 1 0 294.395 3.290 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)c2c1 ZINC000582509398 329098982 /nfs/dbraw/zinc/09/89/82/329098982.db2.gz BPFLGJMVACYXDI-SGIREYDYSA-N 1 0 299.374 3.397 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000346061066 335353604 /nfs/dbraw/zinc/35/36/04/335353604.db2.gz FNOMUFVIAWCYMX-YWPYICTPSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000386183220 336167503 /nfs/dbraw/zinc/16/75/03/336167503.db2.gz HWFGEKOWYOZYIL-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC23CCCC3)cs1 ZINC000386978059 336183471 /nfs/dbraw/zinc/18/34/71/336183471.db2.gz HVCAMHKVDXTJEO-SNVBAGLBSA-N 1 0 252.339 3.079 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])ccn1 ZINC000449403674 533730684 /nfs/dbraw/zinc/73/06/84/533730684.db2.gz QWNKEUOAZMOBOI-CYBMUJFWSA-N 1 0 299.374 3.409 20 5 CGBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000356911131 534244983 /nfs/dbraw/zinc/24/49/83/534244983.db2.gz DPKGFTNDPBRRFD-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424336680 534254275 /nfs/dbraw/zinc/25/42/75/534254275.db2.gz YGTBKCNPXREERD-TUKIKUTGSA-N 1 0 274.364 3.304 20 5 CGBDRO CCC[C@H]([NH2+]CC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000111159268 521156813 /nfs/dbraw/zinc/15/68/13/521156813.db2.gz RRPFWMDUAFITNH-INIZCTEOSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000156248356 521643611 /nfs/dbraw/zinc/64/36/11/521643611.db2.gz DTUGTUWPWHTMSX-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000158041166 524579905 /nfs/dbraw/zinc/57/99/05/524579905.db2.gz YIJACMPMKDASSX-CYBMUJFWSA-N 1 0 280.393 3.279 20 5 CGBDRO CC(C)(CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000357952266 527181907 /nfs/dbraw/zinc/18/19/07/527181907.db2.gz APBWVDQUIMNIAX-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C)(F)C1 ZINC000449376229 527502022 /nfs/dbraw/zinc/50/20/22/527502022.db2.gz MGWHXVAUWACELG-WDZFZDKYSA-N 1 0 278.327 3.478 20 5 CGBDRO CCC1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCOCC1 ZINC000449223486 527804676 /nfs/dbraw/zinc/80/46/76/527804676.db2.gz OGDJFTXVMSFCCL-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO CC1(CC[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000359007527 527927627 /nfs/dbraw/zinc/92/76/27/527927627.db2.gz ULJUYTCPWNDOPX-STQMWFEESA-N 1 0 292.383 3.055 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000414147387 528085568 /nfs/dbraw/zinc/08/55/68/528085568.db2.gz QKYCGEROOGHYQY-CORIIIEPSA-N 1 0 278.352 3.201 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000414143003 528103427 /nfs/dbraw/zinc/10/34/27/528103427.db2.gz LCNVHWZIYYUYCZ-UPJWGTAASA-N 1 0 278.352 3.121 20 5 CGBDRO CCC(CC)[C@@H](CNc1nc(C)ccc1[N+](=O)[O-])[NH+](C)C ZINC000360662932 528822558 /nfs/dbraw/zinc/82/25/58/528822558.db2.gz HYJXTNDDRIRAAV-CQSZACIVSA-N 1 0 294.399 3.077 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250762 529174262 /nfs/dbraw/zinc/17/42/62/529174262.db2.gz VGLBWFUONNNFSY-IAGOWNOFSA-N 1 0 299.374 3.336 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449401593 529212995 /nfs/dbraw/zinc/21/29/95/529212995.db2.gz HTPOATJSPVGMFL-WOSRLPQWSA-N 1 0 294.395 3.177 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577284 535650607 /nfs/dbraw/zinc/65/06/07/535650607.db2.gz IUVKOVNIDQHDKZ-JSGCOSHPSA-N 1 0 293.411 3.284 20 5 CGBDRO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463023186 535765520 /nfs/dbraw/zinc/76/55/20/535765520.db2.gz HBNMXIIWCWWTKB-WQMJKPAKSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000191061701 535804762 /nfs/dbraw/zinc/80/47/62/535804762.db2.gz LCXNMPSDDFIGJT-TUKIKUTGSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748262279 571675499 /nfs/dbraw/zinc/67/54/99/571675499.db2.gz NFZXXFAMNFMZPO-LBPRGKRZSA-N 1 0 290.367 3.270 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748261430 571675193 /nfs/dbraw/zinc/67/51/93/571675193.db2.gz FQPWALUOJCBFSE-LBPRGKRZSA-N 1 0 290.367 3.270 20 5 CGBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000726605700 572588581 /nfs/dbraw/zinc/58/85/81/572588581.db2.gz GXJBRNDYQNDJHB-HOSRBBHYSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872753 572694898 /nfs/dbraw/zinc/69/48/98/572694898.db2.gz BTHPDWFDWBHLGL-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000285959083 617618083 /nfs/dbraw/zinc/61/80/83/617618083.db2.gz DGGZRMDCPWWLFC-JSGCOSHPSA-N 1 0 298.383 3.498 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000811512907 617629943 /nfs/dbraw/zinc/62/99/43/617629943.db2.gz UCWHJPLDHDHGRA-NSHDSACASA-N 1 0 299.802 3.067 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000050443428 618643286 /nfs/dbraw/zinc/64/32/86/618643286.db2.gz LRQQMYQMAARAQC-QMMMGPOBSA-N 1 0 254.717 3.136 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000925689982 619137688 /nfs/dbraw/zinc/13/76/88/619137688.db2.gz CILMOUABBYONOA-QWRGUYRKSA-N 1 0 287.319 3.107 20 5 CGBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000096610251 619311192 /nfs/dbraw/zinc/31/11/92/619311192.db2.gz NNRCMVBWBRCQAP-NSHDSACASA-N 1 0 250.342 3.367 20 5 CGBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000096610070 619311332 /nfs/dbraw/zinc/31/13/32/619311332.db2.gz LPIQWHFWLGRZBH-VIFPVBQESA-N 1 0 256.371 3.428 20 5 CGBDRO Cc1c(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-] ZINC000261981954 619510551 /nfs/dbraw/zinc/51/05/51/619510551.db2.gz ALRLJUJERMLONJ-CVEARBPZSA-N 1 0 297.358 3.138 20 5 CGBDRO Cc1coc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000894739112 619619859 /nfs/dbraw/zinc/61/98/59/619619859.db2.gz ISLBSUQDQBHCMK-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894974197 619689859 /nfs/dbraw/zinc/68/98/59/619689859.db2.gz DJBHXDGCJHWCAP-QWHCGFSZSA-N 1 0 298.770 3.295 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895777882 619884379 /nfs/dbraw/zinc/88/43/79/619884379.db2.gz QQFMQLYFRGYMCT-XYPYZODXSA-N 1 0 286.784 3.232 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896609797 620037246 /nfs/dbraw/zinc/03/72/46/620037246.db2.gz JDUOQRDSLDPQRW-VIFPVBQESA-N 1 0 286.759 3.151 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000840722616 620203236 /nfs/dbraw/zinc/20/32/36/620203236.db2.gz LUXWSSMXUQXWRN-KKUMJFAQSA-N 1 0 292.379 3.043 20 5 CGBDRO CC[C@](C)(C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897464380 620339861 /nfs/dbraw/zinc/33/98/61/620339861.db2.gz LZONSRPRJMUACE-SWLSCSKDSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1ncsc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466561 620340954 /nfs/dbraw/zinc/34/09/54/620340954.db2.gz XGUQLZDLICQNOB-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000925305275 620394286 /nfs/dbraw/zinc/39/42/86/620394286.db2.gz AYQZJWCHBDMDHH-SECBINFHSA-N 1 0 299.168 3.000 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000927027854 620564080 /nfs/dbraw/zinc/56/40/80/620564080.db2.gz OISQHQFXQKRVMI-GXTWGEPZSA-N 1 0 280.368 3.105 20 5 CGBDRO CC(C)[N@H+](C)Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396661 620874532 /nfs/dbraw/zinc/87/45/32/620874532.db2.gz VSVMBMHAVSRBSD-UHFFFAOYSA-N 1 0 275.308 3.090 20 5 CGBDRO CCNc1ccccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000902280286 621223021 /nfs/dbraw/zinc/22/30/21/621223021.db2.gz ZVDNTYNJSBYEGE-UHFFFAOYSA-N 1 0 299.374 3.359 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903333272 621689412 /nfs/dbraw/zinc/68/94/12/621689412.db2.gz YNUCXPQQNXZLGE-QWRGUYRKSA-N 1 0 298.358 3.068 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000903332071 621706522 /nfs/dbraw/zinc/70/65/22/621706522.db2.gz PPEWKMJXERYGAU-NWDGAFQWSA-N 1 0 280.368 3.367 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903332498 621707308 /nfs/dbraw/zinc/70/73/08/621707308.db2.gz SYHIZLAAWQSHSZ-VXGBXAGGSA-N 1 0 280.368 3.367 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000227828526 623031734 /nfs/dbraw/zinc/03/17/34/623031734.db2.gz CKDFYDOSSRSKDR-STQMWFEESA-N 1 0 298.770 3.151 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000227830285 623032291 /nfs/dbraw/zinc/03/22/91/623032291.db2.gz ATQQCHAKFYDGHE-QWHCGFSZSA-N 1 0 298.770 3.151 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774240 623509872 /nfs/dbraw/zinc/50/98/72/623509872.db2.gz ZIQMHCDJQRDVRJ-GFCCVEGCSA-N 1 0 266.316 3.498 20 5 CGBDRO Cc1cnc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)c1 ZINC000922738869 626039763 /nfs/dbraw/zinc/03/97/63/626039763.db2.gz ZRBMPAMQZQEMQO-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000156495186 626064885 /nfs/dbraw/zinc/06/48/85/626064885.db2.gz LJMBMJSSFDQYPK-WQVCFCJDSA-N 1 0 292.379 3.187 20 5 CGBDRO COC/C(C)=C/C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929337067 626087692 /nfs/dbraw/zinc/08/76/92/626087692.db2.gz AADJFSPVKCCFDM-NTEUORMPSA-N 1 0 292.379 3.398 20 5 CGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000839191510 626328798 /nfs/dbraw/zinc/32/87/98/626328798.db2.gz ZTYKXXNPISJRSC-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000752091465 626418803 /nfs/dbraw/zinc/41/88/03/626418803.db2.gz IIXPKGFAJYJWRD-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000758399030 626841872 /nfs/dbraw/zinc/84/18/72/626841872.db2.gz UZZCIDZHPOUJHJ-OAHLLOKOSA-N 1 0 288.351 3.024 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761292052 627030757 /nfs/dbraw/zinc/03/07/57/627030757.db2.gz XUTAHLINSKTAEY-GFCCVEGCSA-N 1 0 288.351 3.085 20 5 CGBDRO CCC(CC)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764492371 627209577 /nfs/dbraw/zinc/20/95/77/627209577.db2.gz WARQTXWUBSDIES-UHFFFAOYSA-N 1 0 291.395 3.342 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CCC2)n1 ZINC000774260318 627969708 /nfs/dbraw/zinc/96/97/08/627969708.db2.gz QBSHTWOSTQJJES-KBPBESRZSA-N 1 0 292.383 3.055 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC=CO1)CCC2 ZINC000774366651 627982610 /nfs/dbraw/zinc/98/26/10/627982610.db2.gz GSMAWOOSUQJPMI-GDBMZVCRSA-N 1 0 288.347 3.255 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905714 628048155 /nfs/dbraw/zinc/04/81/55/628048155.db2.gz RCGYCIDLEYPVKK-CMPLNLGQSA-N 1 0 293.323 3.123 20 5 CGBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000776271447 628187855 /nfs/dbraw/zinc/18/78/55/628187855.db2.gz CLGVFGQOSYGPJP-INIZCTEOSA-N 1 0 292.379 3.283 20 5 CGBDRO CCC[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587546 628222342 /nfs/dbraw/zinc/22/23/42/628222342.db2.gz WIOCZDQEGZYBSJ-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCC=CO1 ZINC000783310580 628702655 /nfs/dbraw/zinc/70/26/55/628702655.db2.gz POQSIFYWJIIZQT-TZMCWYRMSA-N 1 0 276.336 3.247 20 5 CGBDRO C[C@@H]([NH2+]CC1(C)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788670161 629071431 /nfs/dbraw/zinc/07/14/31/629071431.db2.gz SPIJUAUVKASSDH-SNVBAGLBSA-N 1 0 263.341 3.018 20 5 CGBDRO CC[N@H+](CC1CCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000794688571 629568126 /nfs/dbraw/zinc/56/81/26/629568126.db2.gz PUQFIJFOYJMNDW-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087851 632376769 /nfs/dbraw/zinc/37/67/69/632376769.db2.gz PILSHISWKXUUFM-SWLSCSKDSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]1CC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000819092644 632377845 /nfs/dbraw/zinc/37/78/45/632377845.db2.gz BBBSNDZXJZOLQA-XHBSWPGZSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000865747997 632876798 /nfs/dbraw/zinc/87/67/98/632876798.db2.gz XVSYLAPGLZTVSY-HNNXBMFYSA-N 1 0 292.379 3.341 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)c1 ZINC000865855987 632919393 /nfs/dbraw/zinc/91/93/93/632919393.db2.gz BJQVCQKJLFSWOH-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000865872323 632930825 /nfs/dbraw/zinc/93/08/25/632930825.db2.gz VNJKYBORHJBFQM-OCCSQVGLSA-N 1 0 294.395 3.357 20 5 CGBDRO CCC1([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866362232 633101701 /nfs/dbraw/zinc/10/17/01/633101701.db2.gz ACVWOENEZWOGTP-JTQLQIEISA-N 1 0 266.316 3.197 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866411081 633126130 /nfs/dbraw/zinc/12/61/30/633126130.db2.gz BPZFPSVYWQXBFH-IINYFYTJSA-N 1 0 275.352 3.160 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000824620704 633265648 /nfs/dbraw/zinc/26/56/48/633265648.db2.gz ZRAXHTGAVAQDOE-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000824814446 633294982 /nfs/dbraw/zinc/29/49/82/633294982.db2.gz ADVUPALROZQULO-YGRLFVJLSA-N 1 0 298.770 3.105 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000831170447 633922283 /nfs/dbraw/zinc/92/22/83/633922283.db2.gz SLAPIDLAJQUOQR-HUUCEWRRSA-N 1 0 294.395 3.433 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1CC1 ZINC000872020820 633941143 /nfs/dbraw/zinc/94/11/43/633941143.db2.gz LHDVVTJXVSUKDE-SECBINFHSA-N 1 0 266.366 3.377 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026964 633947402 /nfs/dbraw/zinc/94/74/02/633947402.db2.gz GWKBEPCTJMQDEM-KXUCPTDWSA-N 1 0 252.289 3.041 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031456 633950649 /nfs/dbraw/zinc/95/06/49/633950649.db2.gz KKUNZXDTBXAFRL-RYUDHWBXSA-N 1 0 297.374 3.115 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041948 633964476 /nfs/dbraw/zinc/96/44/76/633964476.db2.gz YAUQBVRSZSORMU-ZJUUUORDSA-N 1 0 284.356 3.280 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051076 633974329 /nfs/dbraw/zinc/97/43/29/633974329.db2.gz FSVLOIPEDFWHEL-MNOVXSKESA-N 1 0 298.358 3.182 20 5 CGBDRO CCC1([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872075106 633997831 /nfs/dbraw/zinc/99/78/31/633997831.db2.gz ODUOBWDPBZBRPK-VIFPVBQESA-N 1 0 252.289 3.327 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129819 634051474 /nfs/dbraw/zinc/05/14/74/634051474.db2.gz WLMYNPDFBZUHJQ-XQQFMLRXSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000872129581 634051521 /nfs/dbraw/zinc/05/15/21/634051521.db2.gz NOAAHDMHBLKGND-VNHYZAJKSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)cn1 ZINC000873051234 634237762 /nfs/dbraw/zinc/23/77/62/634237762.db2.gz FXBBKNQJAIHUFE-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO CCOC1CC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000873113142 634248152 /nfs/dbraw/zinc/24/81/52/634248152.db2.gz RHGYUNWEJSNYGP-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1ccoc1 ZINC000873136504 634256067 /nfs/dbraw/zinc/25/60/67/634256067.db2.gz CMXGAGRVMDHBBL-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCSC1 ZINC000873146587 634258852 /nfs/dbraw/zinc/25/88/52/634258852.db2.gz MWKQOCTZQNXGJQ-ZDUSSCGKSA-N 1 0 294.420 3.444 20 5 CGBDRO CCOC[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000876789120 634899678 /nfs/dbraw/zinc/89/96/78/634899678.db2.gz RLODIFCANXPDMM-AWEZNQCLSA-N 1 0 292.379 3.070 20 5 CGBDRO CC(C)=CCC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877562463 635092434 /nfs/dbraw/zinc/09/24/34/635092434.db2.gz TUBYBKMHSWGKQF-IYXRBSQSSA-N 1 0 292.383 3.219 20 5 CGBDRO CC(C)C[C@@H]([NH3+])CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841004060 635104296 /nfs/dbraw/zinc/10/42/96/635104296.db2.gz LHFHTEILRZXEKL-GFCCVEGCSA-N 1 0 299.802 3.053 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C1CSC1 ZINC000877634258 635123681 /nfs/dbraw/zinc/12/36/81/635123681.db2.gz GGYGYZTUZSYVMT-RISCZKNCSA-N 1 0 292.404 3.011 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880465971 636005968 /nfs/dbraw/zinc/00/59/68/636005968.db2.gz JUYGDEIEVZEIFH-RISCZKNCSA-N 1 0 296.342 3.029 20 5 CGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000128455016 636009745 /nfs/dbraw/zinc/00/97/45/636009745.db2.gz MPSHNAAIWSJKQX-CYBMUJFWSA-N 1 0 299.802 3.053 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000846039023 636135358 /nfs/dbraw/zinc/13/53/58/636135358.db2.gz SCZDWTVBAVIMAC-WDEREUQCSA-N 1 0 292.763 3.451 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1C=CCC1 ZINC000883245056 636612457 /nfs/dbraw/zinc/61/24/57/636612457.db2.gz CPPZJBBKCKKBPQ-VXGBXAGGSA-N 1 0 276.336 3.220 20 5 CGBDRO C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850576517 637130947 /nfs/dbraw/zinc/13/09/47/637130947.db2.gz NUTMMFRNWPJDIS-SECBINFHSA-N 1 0 263.341 3.016 20 5 CGBDRO CCCCC[N@H+](Cc1cccnc1[N+](=O)[O-])C(C)C ZINC000885951785 637327602 /nfs/dbraw/zinc/32/76/02/637327602.db2.gz PBCPLRHWWBOIMW-UHFFFAOYSA-N 1 0 265.357 3.390 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000886107116 637417513 /nfs/dbraw/zinc/41/75/13/637417513.db2.gz LCPQFKBKXFFOOY-NSHDSACASA-N 1 0 263.341 3.048 20 5 CGBDRO Cc1ccc([C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)cc1 ZINC000886125091 637425965 /nfs/dbraw/zinc/42/59/65/637425965.db2.gz JASNZKXCHALGCR-OAHLLOKOSA-N 1 0 297.358 3.288 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886179416 637449695 /nfs/dbraw/zinc/44/96/95/637449695.db2.gz VMOBLZVHHIZGOX-GJZGRUSLSA-N 1 0 292.379 3.341 20 5 CGBDRO CC(C)(C)C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886238471 637467643 /nfs/dbraw/zinc/46/76/43/637467643.db2.gz AMNYBVTVURZNJW-LBPRGKRZSA-N 1 0 277.368 3.248 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])CCc2ccccc21 ZINC000886266978 637473248 /nfs/dbraw/zinc/47/32/48/637473248.db2.gz CIQCEWHEVHTXOJ-CYBMUJFWSA-N 1 0 297.358 3.152 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000852532604 637673806 /nfs/dbraw/zinc/67/38/06/637673806.db2.gz JYHSJJMEBVLIRL-LLVKDONJSA-N 1 0 284.306 3.306 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1Cl ZINC000857060819 638447779 /nfs/dbraw/zinc/44/77/79/638447779.db2.gz WUEFGCBUWKKOHS-SECBINFHSA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170596 638648483 /nfs/dbraw/zinc/64/84/83/638648483.db2.gz OWUBCQCZDARMKL-JSGCOSHPSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858575871 638996134 /nfs/dbraw/zinc/99/61/34/638996134.db2.gz FPBLJWIYIBWQLD-BDAKNGLRSA-N 1 0 292.364 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(CN(Cc2ccoc2)C2CC2)cc1F ZINC000934002297 639520466 /nfs/dbraw/zinc/52/04/66/639520466.db2.gz QTMZDNMEKOHNEY-UHFFFAOYSA-N 1 0 290.294 3.492 20 5 CGBDRO C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000934010600 639525448 /nfs/dbraw/zinc/52/54/48/639525448.db2.gz FMJUPVYMTSXKQN-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000934396952 639601210 /nfs/dbraw/zinc/60/12/10/639601210.db2.gz SHDWTYZKEZVHBC-SWLSCSKDSA-N 1 0 290.363 3.347 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CC=CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000934620383 639641619 /nfs/dbraw/zinc/64/16/19/639641619.db2.gz AYQHLMJMGMJRFP-ZWNOBZJWSA-N 1 0 294.326 3.187 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000934627618 639645689 /nfs/dbraw/zinc/64/56/89/639645689.db2.gz SXPNLYJJIVJEAQ-MWLCHTKSSA-N 1 0 252.339 3.101 20 5 CGBDRO COc1ccc(C[NH2+]Cc2cc(C)oc2C)cc1[N+](=O)[O-] ZINC000114505161 641000585 /nfs/dbraw/zinc/00/05/85/641000585.db2.gz RXACHMXMMYGEOT-UHFFFAOYSA-N 1 0 290.319 3.103 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[C@@H]([NH3+])C3)cc1[N+](=O)[O-] ZINC001159833264 806184094 /nfs/dbraw/zinc/18/40/94/806184094.db2.gz USUDLNZFUOFCIH-ZDUSSCGKSA-N 1 0 283.331 3.073 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(NC[C@@H]3CCCC[NH2+]3)nc12 ZINC001160145263 806227832 /nfs/dbraw/zinc/22/78/32/806227832.db2.gz QIHBUISQHKBCJU-HNNXBMFYSA-N 1 0 292.386 3.337 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC(F)(F)C1 ZINC001254533299 806444318 /nfs/dbraw/zinc/44/43/18/806444318.db2.gz ZXZNZCBXQSFLMO-PWSUYJOCSA-N 1 0 284.306 3.303 20 5 CGBDRO CO[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254540740 806446388 /nfs/dbraw/zinc/44/63/88/806446388.db2.gz VKKZQJQQZQQREE-QEJZJMRPSA-N 1 0 292.379 3.073 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552001 806448202 /nfs/dbraw/zinc/44/82/02/806448202.db2.gz HVNMKVOXDFUUGW-NEPJUHHUSA-N 1 0 250.342 3.256 20 5 CGBDRO Cc1cnc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001254547472 806448332 /nfs/dbraw/zinc/44/83/32/806448332.db2.gz ILWGZFISPPLKDT-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO CCC(CC)C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569836 806452901 /nfs/dbraw/zinc/45/29/01/806452901.db2.gz ZLFJBLCYYPANPF-AWEZNQCLSA-N 1 0 262.353 3.088 20 5 CGBDRO CC(C)CC[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576326 806454218 /nfs/dbraw/zinc/45/42/18/806454218.db2.gz VNKHWIWPQCKFEL-WFASDCNBSA-N 1 0 276.380 3.476 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC13CCCCC3)C2 ZINC001254580622 806455972 /nfs/dbraw/zinc/45/59/72/806455972.db2.gz HJQXFJRTEPMKJK-GDBMZVCRSA-N 1 0 286.375 3.374 20 5 CGBDRO Cc1ccsc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565652 806450721 /nfs/dbraw/zinc/45/07/21/806450721.db2.gz FGMYTZIIUZLJNV-ZDUSSCGKSA-N 1 0 288.372 3.222 20 5 CGBDRO CC(C)C1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602855 806458952 /nfs/dbraw/zinc/45/89/52/806458952.db2.gz JGVUPXHQXAVDNF-KRWDZBQOSA-N 1 0 288.391 3.430 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609838 806461827 /nfs/dbraw/zinc/46/18/27/806461827.db2.gz ZCHBZXKZTSDQDT-CVEARBPZSA-N 1 0 274.364 3.182 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001162404500 806578433 /nfs/dbraw/zinc/57/84/33/806578433.db2.gz NMSINEWBOONHCD-NWDGAFQWSA-N 1 0 285.347 3.430 20 5 CGBDRO [NH3+][C@H]1CCC[C@H](Nc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001162403423 806579094 /nfs/dbraw/zinc/57/90/94/806579094.db2.gz CYMZTOCDAQDLJW-STQMWFEESA-N 1 0 285.347 3.430 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036993459 798853678 /nfs/dbraw/zinc/85/36/78/798853678.db2.gz COWBOQXWHIPRDP-VXGBXAGGSA-N 1 0 274.320 3.470 20 5 CGBDRO CCN(CCC[NH+]1CCCC1)c1ccc(C)cc1[N+](=O)[O-] ZINC001163076545 806701018 /nfs/dbraw/zinc/70/10/18/806701018.db2.gz UDCYWGNPBINBLC-UHFFFAOYSA-N 1 0 291.395 3.215 20 5 CGBDRO COCCC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000234864688 799143233 /nfs/dbraw/zinc/14/32/33/799143233.db2.gz RCQQLSAQYVFGHH-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001163418617 806762045 /nfs/dbraw/zinc/76/20/45/806762045.db2.gz AFCDLYWHJZZHAQ-CYBMUJFWSA-N 1 0 279.384 3.436 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H](C)O1 ZINC000694753460 799824109 /nfs/dbraw/zinc/82/41/09/799824109.db2.gz UGKQPUPYGKGYEJ-PEGIJTEDSA-N 1 0 298.770 3.294 20 5 CGBDRO CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC=CC1 ZINC000702112902 799903547 /nfs/dbraw/zinc/90/35/47/799903547.db2.gz BVLMAZUSGHXKIY-UHFFFAOYSA-N 1 0 266.728 3.447 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2=CCCC2)c1 ZINC000702341924 799908061 /nfs/dbraw/zinc/90/80/61/799908061.db2.gz RNKSUYDPPQBPPC-UHFFFAOYSA-N 1 0 266.728 3.448 20 5 CGBDRO CC1(C)C[C@]1(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000702365529 799909657 /nfs/dbraw/zinc/90/96/57/799909657.db2.gz NQMCQSJOQWFLIR-CQSZACIVSA-N 1 0 266.316 3.260 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707144909 799973344 /nfs/dbraw/zinc/97/33/44/799973344.db2.gz OERXELXABGKZPD-NXEZZACHSA-N 1 0 252.289 3.107 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccns2)c(Cl)c1 ZINC000709837310 800020580 /nfs/dbraw/zinc/02/05/80/800020580.db2.gz PFOPYXAMNMKNBC-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO COc1ccc(C[NH2+]C2CCC=CCC2)cc1[N+](=O)[O-] ZINC000718098979 800211434 /nfs/dbraw/zinc/21/14/34/800211434.db2.gz RNSFSNGCVIJJGY-UHFFFAOYSA-N 1 0 276.336 3.192 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC=CCC2)cs1 ZINC000718134589 800211884 /nfs/dbraw/zinc/21/18/84/800211884.db2.gz QMQITQROJNNVBN-UHFFFAOYSA-N 1 0 252.339 3.245 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000720232647 800254864 /nfs/dbraw/zinc/25/48/64/800254864.db2.gz YUCBOBJWOYXKMV-SECBINFHSA-N 1 0 286.759 3.151 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000720271501 800255809 /nfs/dbraw/zinc/25/58/09/800255809.db2.gz FBTQTBMHYFXRMA-SECBINFHSA-N 1 0 286.759 3.151 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2CC=CC2)cc1 ZINC000724198050 800357465 /nfs/dbraw/zinc/35/74/65/800357465.db2.gz BTWFOQAMROGALB-UHFFFAOYSA-N 1 0 260.337 3.083 20 5 CGBDRO C[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC(C)(C)C1 ZINC000840167332 800496166 /nfs/dbraw/zinc/49/61/66/800496166.db2.gz RWDIKKOGPJMNFL-UHFFFAOYSA-N 1 0 288.351 3.022 20 5 CGBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168960791 807541539 /nfs/dbraw/zinc/54/15/39/807541539.db2.gz HCIGGWDSRFJOJJ-UKRRQHHQSA-N 1 0 287.363 3.026 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001168967367 807542800 /nfs/dbraw/zinc/54/28/00/807542800.db2.gz PBOPYGYTTKFBQD-BXKDBHETSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC001168968430 807543895 /nfs/dbraw/zinc/54/38/95/807543895.db2.gz ZAJJIDXRDGIEOI-UWVGGRQHSA-N 1 0 286.734 3.014 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(C)c1 ZINC001168978334 807545839 /nfs/dbraw/zinc/54/58/39/807545839.db2.gz RFFVDCKDMMKSLG-FVQBIDKESA-N 1 0 276.380 3.481 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001168978583 807545867 /nfs/dbraw/zinc/54/58/67/807545867.db2.gz SPLLKOVGIOODDG-MWLCHTKSSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC001168978317 807546008 /nfs/dbraw/zinc/54/60/08/807546008.db2.gz RDAKSOKSONHFDZ-DZGCQCFKSA-N 1 0 296.798 3.308 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@@H]23)C1 ZINC001168978394 807546129 /nfs/dbraw/zinc/54/61/29/807546129.db2.gz RVDNZFNSEHMJIF-LYYZXLFJSA-N 1 0 280.412 3.380 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168983781 807546862 /nfs/dbraw/zinc/54/68/62/807546862.db2.gz LERSGRGKXBYJMU-AAEUAGOBSA-N 1 0 282.771 3.183 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1C ZINC001168985359 807547373 /nfs/dbraw/zinc/54/73/73/807547373.db2.gz DPMNINNTZRZNPR-SQWLQELKSA-N 1 0 276.380 3.481 20 5 CGBDRO CCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998528 807548876 /nfs/dbraw/zinc/54/88/76/807548876.db2.gz OHVNQNXSJYSXGJ-NWDGAFQWSA-N 1 0 290.354 3.380 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169006339 807550682 /nfs/dbraw/zinc/55/06/82/807550682.db2.gz XOTUGKLKNYBWDQ-VCTAVGKDSA-N 1 0 298.333 3.451 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)ccn1 ZINC001169006257 807550802 /nfs/dbraw/zinc/55/08/02/807550802.db2.gz WWMVIYQYLQSLCK-PWSUYJOCSA-N 1 0 297.786 3.005 20 5 CGBDRO CCCCC1CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010731 807552242 /nfs/dbraw/zinc/55/22/42/807552242.db2.gz FXRAUOLAEXQRAK-CABCVRRESA-N 1 0 268.401 3.334 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039869 807557024 /nfs/dbraw/zinc/55/70/24/807557024.db2.gz VDBCCZGXGPWCEN-YGRLFVJLSA-N 1 0 280.755 3.101 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050636 807560264 /nfs/dbraw/zinc/56/02/64/807560264.db2.gz CBXIBNDHAJOVBP-ZIAGYGMSSA-N 1 0 266.385 3.088 20 5 CGBDRO CCC1(CC)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001169431089 807642133 /nfs/dbraw/zinc/64/21/33/807642133.db2.gz UJYKIAGQWVUPPP-UHFFFAOYSA-N 1 0 277.368 3.392 20 5 CGBDRO C[NH+](C)CCC(C)(C)Nc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001169718405 807697505 /nfs/dbraw/zinc/69/75/05/807697505.db2.gz UBYCRFNSKRJTEC-UHFFFAOYSA-N 1 0 290.367 3.218 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC001170324530 807826772 /nfs/dbraw/zinc/82/67/72/807826772.db2.gz QRGXFCLMZBITJQ-GXTWGEPZSA-N 1 0 290.363 3.233 20 5 CGBDRO CC(C)[C@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898265 808475814 /nfs/dbraw/zinc/47/58/14/808475814.db2.gz JXEFLMBHWTZZMF-WFASDCNBSA-N 1 0 276.380 3.476 20 5 CGBDRO C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909464 808476459 /nfs/dbraw/zinc/47/64/59/808476459.db2.gz RYPVNIHISGTXJX-SWLSCSKDSA-N 1 0 274.364 3.327 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC001173210462 808537216 /nfs/dbraw/zinc/53/72/16/808537216.db2.gz LEJTULKJJYAUOL-CMPLNLGQSA-N 1 0 284.306 3.303 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1F ZINC001173216534 808538874 /nfs/dbraw/zinc/53/88/74/808538874.db2.gz LRWZQLNDWWJYOV-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222770 808540095 /nfs/dbraw/zinc/54/00/95/808540095.db2.gz VMLAFGQCNNBQSI-RYUDHWBXSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC001173218815 808540200 /nfs/dbraw/zinc/54/02/00/808540200.db2.gz MHXLXQRFBIQVCP-NWDGAFQWSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccc(N)cc1 ZINC001173220054 808540248 /nfs/dbraw/zinc/54/02/48/808540248.db2.gz SJINMIQMZPZHLK-OLZOCXBDSA-N 1 0 299.374 3.459 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccc(N)c1 ZINC001173220375 808540530 /nfs/dbraw/zinc/54/05/30/808540530.db2.gz ZJTFLCCBEZMBON-OLZOCXBDSA-N 1 0 299.374 3.459 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1cccnc1 ZINC001173232206 808543199 /nfs/dbraw/zinc/54/31/99/808543199.db2.gz DPEDZKYWZQGNQC-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO COC1(C)CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173229993 808543236 /nfs/dbraw/zinc/54/32/36/808543236.db2.gz WSXBRCBZNDGKRY-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO CCc1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC001178610302 809879320 /nfs/dbraw/zinc/87/93/20/809879320.db2.gz OWRAUIPXBUWDQA-UHFFFAOYSA-N 1 0 284.359 3.490 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ccc1Cl ZINC001225203941 816958498 /nfs/dbraw/zinc/95/84/98/816958498.db2.gz IHJFYXOPKFCOAF-VIFPVBQESA-N 1 0 263.188 3.467 20 5 CGBDRO Cn1c[nH+]cc1Nc1c(Cl)ccc([N+](=O)[O-])c1Cl ZINC001215582670 815541967 /nfs/dbraw/zinc/54/19/67/815541967.db2.gz XAHNSKWIMBRXSM-UHFFFAOYSA-N 1 0 287.106 3.379 20 5 CGBDRO C[C@@H](OCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC001206709133 813404144 /nfs/dbraw/zinc/40/41/44/813404144.db2.gz DHBOYLQKHNOWNH-CYBMUJFWSA-N 1 0 278.352 3.158 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ncccc1F)c1ccccc1[N+](=O)[O-] ZINC001207687737 813635874 /nfs/dbraw/zinc/63/58/74/813635874.db2.gz CRQIUCLEOQGTAB-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO F[C@H]1C[NH2+]C[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217781977 815961592 /nfs/dbraw/zinc/96/15/92/815961592.db2.gz UATYWWFLHOURME-YJBOKZPZSA-N 1 0 296.345 3.215 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CCC[NH2+]C1 ZINC001217960698 816018899 /nfs/dbraw/zinc/01/88/99/816018899.db2.gz SMTHJHUWNUCYDA-OAHLLOKOSA-N 1 0 298.342 3.393 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CCC[NH2+]CC1 ZINC001217993945 816039713 /nfs/dbraw/zinc/03/97/13/816039713.db2.gz DNGYPGBPKMZJJE-CYBMUJFWSA-N 1 0 286.331 3.269 20 5 CGBDRO Cc1cc(O[C@@H](C)C2CC[NH2+]CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001218004924 816046459 /nfs/dbraw/zinc/04/64/59/816046459.db2.gz HEAYWUMESYRRPR-ZDUSSCGKSA-N 1 0 292.379 3.287 20 5 CGBDRO c1ccc2cc3cc(O[C@@H]4C[NH2+]CCOC4)ccc3cc2c1 ZINC001218044045 816071271 /nfs/dbraw/zinc/07/12/71/816071271.db2.gz LXXXUMUGUGMWMG-LJQANCHMSA-N 1 0 293.366 3.360 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218122045 816108040 /nfs/dbraw/zinc/10/80/40/816108040.db2.gz ZGRQHCXZRAWUHM-ZIAGYGMSSA-N 1 0 296.754 3.078 20 5 CGBDRO C[C@@H](Oc1cccc2cc3ccccc3nc21)C1C[NH2+]C1 ZINC001218195588 816123117 /nfs/dbraw/zinc/12/31/17/816123117.db2.gz QUBFWPZGXCQVMT-GFCCVEGCSA-N 1 0 278.355 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CCC[NH2+]C3)c(Cl)c1 ZINC001218252399 816141926 /nfs/dbraw/zinc/14/19/26/816141926.db2.gz WKDBJFBZGXSPHF-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218309054 816160545 /nfs/dbraw/zinc/16/05/45/816160545.db2.gz MKEMNRWVJGBFMU-NSHDSACASA-N 1 0 296.754 3.302 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@H]2CC[NH2+]C3(CCC3)C2)ccc1Cl ZINC001218309344 816160557 /nfs/dbraw/zinc/16/05/57/816160557.db2.gz PWQMWYISELNSNX-NSHDSACASA-N 1 0 296.754 3.302 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)ccc1Cl ZINC001218309342 816160596 /nfs/dbraw/zinc/16/05/96/816160596.db2.gz PWQMWYISELNSNX-LLVKDONJSA-N 1 0 296.754 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[C@H]2C[NH2+]C[C@@H]21 ZINC001218475091 816232612 /nfs/dbraw/zinc/23/26/12/816232612.db2.gz XYEFQHVKCYZCLH-DUVNUKRYSA-N 1 0 298.342 3.125 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)OCc1cccc([N+](=O)[O-])c1C ZINC001223331177 816606852 /nfs/dbraw/zinc/60/68/52/816606852.db2.gz HAYVUUNWSQRJHD-GFCCVEGCSA-N 1 0 280.368 3.150 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432460 816630144 /nfs/dbraw/zinc/63/01/44/816630144.db2.gz VDSCUHWFOUPFRB-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)OCc1c(C)cccc1[N+](=O)[O-] ZINC001223535957 816646773 /nfs/dbraw/zinc/64/67/73/816646773.db2.gz QLAXXAHMNAEMNH-CYBMUJFWSA-N 1 0 280.368 3.150 20 5 CGBDRO C[C@@H](OC1CC[NH+](CCF)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224021581 816722115 /nfs/dbraw/zinc/72/21/15/816722115.db2.gz AQYLTNJZKGJAFU-GFCCVEGCSA-N 1 0 296.342 3.106 20 5 CGBDRO CC[N@@H+]1CCC[C@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224025477 816723097 /nfs/dbraw/zinc/72/30/97/816723097.db2.gz MPSRCTMIOSSSHV-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333086 816779994 /nfs/dbraw/zinc/77/99/94/816779994.db2.gz AYKAWNCHTNUDRR-MRXNPFEDSA-N 1 0 292.379 3.027 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC001224624393 816835753 /nfs/dbraw/zinc/83/57/53/816835753.db2.gz VWCSHMRMZDLHHC-OWCLPIDISA-N 1 0 254.438 3.458 20 5 CGBDRO C[C@@H](OCCC[NH+]1CCCC1)c1ccccc1[N+](=O)[O-] ZINC001224743637 816870661 /nfs/dbraw/zinc/87/06/61/816870661.db2.gz DGTALJILZMMJLI-CYBMUJFWSA-N 1 0 278.352 3.158 20 5 CGBDRO C[N+](C)(C)CCO[C@@H]1CCc2ccc(Cl)cc21 ZINC001224772746 816878414 /nfs/dbraw/zinc/87/84/14/816878414.db2.gz CCLFFBCFUWTZMX-CQSZACIVSA-N 1 0 254.781 3.050 20 5 CGBDRO C[N+](C)(C)CCO[C@H]1CCCC[C@@H]1c1ccccc1 ZINC001224775998 816879197 /nfs/dbraw/zinc/87/91/97/816879197.db2.gz RCPYVSZMJKJCOL-SJORKVTESA-N 1 0 262.417 3.436 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(C(F)(F)F)c1 ZINC001225601475 817108571 /nfs/dbraw/zinc/10/85/71/817108571.db2.gz CXZUGWVIKDSIEQ-VIFPVBQESA-N 1 0 280.285 3.318 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713326 817153105 /nfs/dbraw/zinc/15/31/05/817153105.db2.gz RXLMKPVXEXLLHF-NSHDSACASA-N 1 0 284.743 3.110 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226809239 817471335 /nfs/dbraw/zinc/47/13/35/817471335.db2.gz BNNVVWADXXYWEO-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC001226843570 817482604 /nfs/dbraw/zinc/48/26/04/817482604.db2.gz LSOMOZFIHNFFCI-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO COc1cc(O[C@H](C)C[N+](C)(C)C)cc(C(F)(F)F)c1 ZINC001227860025 817738580 /nfs/dbraw/zinc/73/85/80/817738580.db2.gz RTWAMUYGXWCNKH-SNVBAGLBSA-N 1 0 292.321 3.188 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(ccnc2Cl)c1 ZINC001234046149 818766923 /nfs/dbraw/zinc/76/69/23/818766923.db2.gz MARRLYCSJKLVHL-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cc(F)c(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001234057255 818769931 /nfs/dbraw/zinc/76/99/31/818769931.db2.gz SIFNADDBMGLIEL-ZSBIGDGJSA-N 1 0 294.326 3.046 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCC(F)F ZINC001343098576 936488854 /nfs/dbraw/zinc/48/88/54/936488854.db2.gz SDQQSKHKHWNEPE-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H]1CCCc2c(Cl)ccnc21 ZINC001224621049 927437752 /nfs/dbraw/zinc/43/77/52/927437752.db2.gz JLUKYGRFEVRNEC-CQSZACIVSA-N 1 0 283.823 3.225 20 5 CGBDRO CC[C@H](C)[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588083 928533897 /nfs/dbraw/zinc/53/38/97/928533897.db2.gz ZSCHPNHUSJCDTI-WFASDCNBSA-N 1 0 280.368 3.088 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC001458617740 937470169 /nfs/dbraw/zinc/47/01/69/937470169.db2.gz KXXLKVWDMUOEJQ-HNNXBMFYSA-N 1 0 297.358 3.054 20 5 CGBDRO CCCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC001459595923 937492628 /nfs/dbraw/zinc/49/26/28/937492628.db2.gz LIBJIIQXZBVQOT-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC001460267000 937523650 /nfs/dbraw/zinc/52/36/50/937523650.db2.gz XKESUXWHFHCXRP-GJZGRUSLSA-N 1 0 292.379 3.388 20 5 CGBDRO CCC1(CC)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC001460419987 937530764 /nfs/dbraw/zinc/53/07/64/937530764.db2.gz XSSZSYPAVZLJQY-UHFFFAOYSA-N 1 0 277.368 3.392 20 5 CGBDRO CCOc1cc(C[N@H+](C)C[C@@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC001460517263 937534097 /nfs/dbraw/zinc/53/40/97/937534097.db2.gz NAEOBLITHYCDGH-ZDUSSCGKSA-N 1 0 292.379 3.471 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)c([N+](=O)[O-])cc1Cl ZINC001229975742 932515295 /nfs/dbraw/zinc/51/52/95/932515295.db2.gz QUWZKLMDTGTGIZ-SNVBAGLBSA-N 1 0 287.767 3.030 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)ncc1C(F)(F)F ZINC001230754490 932619068 /nfs/dbraw/zinc/61/90/68/932619068.db2.gz PGAQDGXZULMUJZ-QMMMGPOBSA-N 1 0 297.728 3.227 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1nccc2ccc(Cl)cc21 ZINC001230979948 932653144 /nfs/dbraw/zinc/65/31/44/932653144.db2.gz XBZWWMWTBTUFQI-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001231059038 932668682 /nfs/dbraw/zinc/66/86/82/932668682.db2.gz FRNWHVDADKPGHU-BTTYYORXSA-N 1 0 290.363 3.216 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C)ccc(C)c1[N+](=O)[O-] ZINC001231062344 932670179 /nfs/dbraw/zinc/67/01/79/932670179.db2.gz ZPRBPOZFIGTPJO-CYBMUJFWSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCC(C)(C)O1 ZINC001308380583 933103605 /nfs/dbraw/zinc/10/36/05/933103605.db2.gz JTKJPHTTWOQQCC-CYBMUJFWSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CCC[C@H](C)C1 ZINC001308724813 933165596 /nfs/dbraw/zinc/16/55/96/933165596.db2.gz YLEYFERTKLZXON-NSHDSACASA-N 1 0 262.353 3.444 20 5 CGBDRO CCC(C)(C)CC[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001474663135 933579930 /nfs/dbraw/zinc/57/99/30/933579930.db2.gz IFNKRSAZXXWBHG-UHFFFAOYSA-N 1 0 296.367 3.225 20 5 CGBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001473382104 937804073 /nfs/dbraw/zinc/80/40/73/937804073.db2.gz UFUIMYZELPFMQZ-WCQYABFASA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001473402594 937805125 /nfs/dbraw/zinc/80/51/25/937805125.db2.gz LMBLDNKRLOCEAR-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/C1CC1 ZINC001326288067 934966317 /nfs/dbraw/zinc/96/63/17/934966317.db2.gz ZUTOEDDTULEGLD-MUBLQREKSA-N 1 0 274.364 3.472 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C/C=C\C1CC1 ZINC001327594794 935072428 /nfs/dbraw/zinc/07/24/28/935072428.db2.gz DNEXISBPDNPGLW-DLRQAJBASA-N 1 0 276.336 3.220 20 5 CGBDRO Cc1ncc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)s1 ZINC001330609639 935303097 /nfs/dbraw/zinc/30/30/97/935303097.db2.gz LDKNNMSCYNOWSR-UHFFFAOYSA-N 1 0 291.376 3.266 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC001333671592 935559595 /nfs/dbraw/zinc/55/95/95/935559595.db2.gz LEEMCIFHUIDWOX-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO CC1([NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 ZINC001337258063 936246157 /nfs/dbraw/zinc/24/61/57/936246157.db2.gz ALFWXGXILQFIBG-UHFFFAOYSA-N 1 0 272.304 3.497 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001473859309 937825294 /nfs/dbraw/zinc/82/52/94/937825294.db2.gz GURYLALAXONVOM-ZDUSSCGKSA-N 1 0 266.316 3.498 20 5 CGBDRO CCC(CC)(CO)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001474074213 937839197 /nfs/dbraw/zinc/83/91/97/937839197.db2.gz DSTSVVCGWFMJSJ-UHFFFAOYSA-N 1 0 294.395 3.100 20 5 CGBDRO C[C@H](C[NH2+]C[C@]1(C)CCCCO1)c1ccccc1[N+](=O)[O-] ZINC001474727681 937877637 /nfs/dbraw/zinc/87/76/37/937877637.db2.gz KBDCNOFPBHJVOL-CJNGLKHVSA-N 1 0 292.379 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCC(C)CC2)c1 ZINC001559055876 938219574 /nfs/dbraw/zinc/21/95/74/938219574.db2.gz HOHUMJRMYBXSJO-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO CC(C)[C@H]1CCCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001559689416 938232956 /nfs/dbraw/zinc/23/29/56/938232956.db2.gz OMMWUVKTWPKEJB-CQSZACIVSA-N 1 0 277.368 3.390 20 5 CGBDRO CC(C)(C)CCC[NH2+][C@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001560066334 938243069 /nfs/dbraw/zinc/24/30/69/938243069.db2.gz QYUOOAIAFLGKAQ-MRXNPFEDSA-N 1 0 294.395 3.218 20 5 CGBDRO CCCCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560211600 938247344 /nfs/dbraw/zinc/24/73/44/938247344.db2.gz NUQIAHOWIUWVOQ-UHFFFAOYSA-N 1 0 262.353 3.450 20 5 CGBDRO CC[NH+](CC)C[C@H](C)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC001560319527 938252907 /nfs/dbraw/zinc/25/29/07/938252907.db2.gz LAUHNKMTDUURBW-ZDUSSCGKSA-N 1 0 293.411 3.032 20 5 CGBDRO Cc1c(C[NH2+]CC(C)(C)C2CC2)cccc1[N+](=O)[O-] ZINC001560603370 938264735 /nfs/dbraw/zinc/26/47/35/938264735.db2.gz HKGFKXUVFSQREU-UHFFFAOYSA-N 1 0 262.353 3.429 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2C[NH+](CC3CCCCC3)C2)cc1 ZINC001560876438 938281365 /nfs/dbraw/zinc/28/13/65/938281365.db2.gz KONTZENCSDEUOH-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000217886267 957868624 /nfs/dbraw/zinc/86/86/24/957868624.db2.gz QSNUUEWGBVKWSA-CABCVRRESA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC001579733959 962661454 /nfs/dbraw/zinc/66/14/54/962661454.db2.gz GUUMNQOEXVBCTE-TUKIKUTGSA-N 1 0 289.379 3.092 20 5 CGBDRO Cc1ccc(N[C@@H]2[C@H]3CCC[NH2+][C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579723467 962662118 /nfs/dbraw/zinc/66/21/18/962662118.db2.gz BTMMLQWREXIALK-TUKIKUTGSA-N 1 0 289.379 3.092 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290205914 197630217 /nfs/dbraw/zinc/63/02/17/197630217.db2.gz PLWVFCUFYCFPKJ-DOMZBBRYSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(C2CC2)CC1 ZINC000590006653 346821661 /nfs/dbraw/zinc/82/16/61/346821661.db2.gz LRVXMLPLUKIUJH-UHFFFAOYSA-N 1 0 290.363 3.096 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)ccc1[N+](=O)[O-] ZINC000591063441 346898424 /nfs/dbraw/zinc/89/84/24/346898424.db2.gz ZZFHIINHLKLSTG-AWEZNQCLSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@H]([NH2+][C@H](C(C)C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000357787939 529663575 /nfs/dbraw/zinc/66/35/75/529663575.db2.gz LAGKGSNUTWULCG-LSDHHAIUSA-N 1 0 294.395 3.431 20 5 CGBDRO CCC[C@@H](NC[C@@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578100 346930064 /nfs/dbraw/zinc/93/00/64/346930064.db2.gz YYRKGQBVSISUNS-GOEBONIOSA-N 1 0 291.395 3.168 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000126606101 187251653 /nfs/dbraw/zinc/25/16/53/187251653.db2.gz REFSGVNDRZBNSO-LLVKDONJSA-N 1 0 268.382 3.168 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000592374952 346980130 /nfs/dbraw/zinc/98/01/30/346980130.db2.gz NCWUHRAJFWABMR-BETUJISGSA-N 1 0 278.352 3.031 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC3(F)F)CC2)cc1 ZINC000593077304 347036121 /nfs/dbraw/zinc/03/61/21/347036121.db2.gz PZWJOCPPDGJKNL-UHFFFAOYSA-N 1 0 282.290 3.216 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(F)cc2F)cc1 ZINC000040675852 344965703 /nfs/dbraw/zinc/96/57/03/344965703.db2.gz JGPHFUDAHBGMSM-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295099980 199345144 /nfs/dbraw/zinc/34/51/44/199345144.db2.gz VXTGEOWUFMYIOV-IUODEOHRSA-N 1 0 294.395 3.055 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000063619208 345250169 /nfs/dbraw/zinc/25/01/69/345250169.db2.gz XRMDVUPIFSPXBK-MRXNPFEDSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000065298860 345270749 /nfs/dbraw/zinc/27/07/49/345270749.db2.gz OJQDZHYYHTTXMX-LBPRGKRZSA-N 1 0 250.342 3.461 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000126177971 232189320 /nfs/dbraw/zinc/18/93/20/232189320.db2.gz PKGOTKWJSKMHAZ-CHWSQXEVSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H](Cc1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000071270536 345402455 /nfs/dbraw/zinc/40/24/55/345402455.db2.gz DZRAPJRKRWVRHM-LBPRGKRZSA-N 1 0 290.388 3.420 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078575483 345613869 /nfs/dbraw/zinc/61/38/69/345613869.db2.gz UOCKRYNMXUIYNA-GFCCVEGCSA-N 1 0 297.786 3.169 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCCCC[NH+]2CCCCC2)nc1 ZINC000113946465 345962446 /nfs/dbraw/zinc/96/24/46/345962446.db2.gz YMAKVGWKPFQUHJ-UHFFFAOYSA-N 1 0 292.383 3.058 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178432766 232390410 /nfs/dbraw/zinc/39/04/10/232390410.db2.gz GFXMXATVSNITQH-STQMWFEESA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1c(C[NH2+]C[C@]2(C)CCCS2)cccc1[N+](=O)[O-] ZINC000155606163 346154629 /nfs/dbraw/zinc/15/46/29/346154629.db2.gz TUPLNKINPKYJLJ-AWEZNQCLSA-N 1 0 280.393 3.279 20 5 CGBDRO Cc1cccnc1CCC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000295135577 199364122 /nfs/dbraw/zinc/36/41/22/199364122.db2.gz ZAQRAJFIMFOPNM-UHFFFAOYSA-N 1 0 291.376 3.082 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000222341194 346299082 /nfs/dbraw/zinc/29/90/82/346299082.db2.gz UONPUSPKHMLQTM-CORIIIEPSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293102208 346430735 /nfs/dbraw/zinc/43/07/35/346430735.db2.gz LBZZDXDBGOAHKS-KGLIPLIRSA-N 1 0 292.379 3.059 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000279973761 346417179 /nfs/dbraw/zinc/41/71/79/346417179.db2.gz DDQGKKOGZJCBAN-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CCC[NH2+]CC1 ZINC000312251636 346476147 /nfs/dbraw/zinc/47/61/47/346476147.db2.gz MSMJBVLBZWUGMB-SNVBAGLBSA-N 1 0 285.294 3.086 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000318192225 346486757 /nfs/dbraw/zinc/48/67/57/346486757.db2.gz SNLHUYYQDAIKHQ-OAHLLOKOSA-N 1 0 297.358 3.465 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000593682800 347103688 /nfs/dbraw/zinc/10/36/88/347103688.db2.gz YIIGYPFDVVTKPI-AGLBCWCQSA-N 1 0 290.363 3.013 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593694886 347104480 /nfs/dbraw/zinc/10/44/80/347104480.db2.gz DMRFRMUKAULDJI-PKXJPQMGSA-N 1 0 294.301 3.339 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)COCC2CC2)cccc1[N+](=O)[O-] ZINC000593719763 347107780 /nfs/dbraw/zinc/10/77/80/347107780.db2.gz QZSFRHPWCRQHSK-AAEUAGOBSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H]([NH2+]CCC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000593719431 347107806 /nfs/dbraw/zinc/10/78/06/347107806.db2.gz XWNIIBXTGRULDF-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)C1CCCC1 ZINC000589350908 346795069 /nfs/dbraw/zinc/79/50/69/346795069.db2.gz BQXFTRHYUVJUAO-LRDDRELGSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000594510039 347183410 /nfs/dbraw/zinc/18/34/10/347183410.db2.gz NLEHSESZGGWFCY-JKSUJKDBSA-N 1 0 290.363 3.032 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@H]1CCCCO1 ZINC000594519836 347188169 /nfs/dbraw/zinc/18/81/69/347188169.db2.gz LTBIGSZGISMMEQ-JKSUJKDBSA-N 1 0 292.379 3.341 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCSC1 ZINC000594522534 347189029 /nfs/dbraw/zinc/18/90/29/347189029.db2.gz LXPDERQUXOOLAI-BXUZGUMPSA-N 1 0 292.404 3.315 20 5 CGBDRO CC([NH2+]Cc1ccc([N+](=O)[O-])cc1F)(C1CC1)C1CC1 ZINC000594992511 347250938 /nfs/dbraw/zinc/25/09/38/347250938.db2.gz FVDSYLHCPIYWFO-UHFFFAOYSA-N 1 0 278.327 3.402 20 5 CGBDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000594957866 347240815 /nfs/dbraw/zinc/24/08/15/347240815.db2.gz VVEAIJPYEZGEKF-OAHLLOKOSA-N 1 0 292.379 3.198 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccoc1 ZINC000594983985 347248625 /nfs/dbraw/zinc/24/86/25/347248625.db2.gz YYQBQDOHYSYJPU-UKTHLTGXSA-N 1 0 286.331 3.423 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595109260 347284929 /nfs/dbraw/zinc/28/49/29/347284929.db2.gz WAEXSGLBQZPNGG-JSGCOSHPSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000595298860 347289425 /nfs/dbraw/zinc/28/94/25/347289425.db2.gz UIABOBOWQNRYJD-ZDUSSCGKSA-N 1 0 293.367 3.436 20 5 CGBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCC1 ZINC000595323065 347291686 /nfs/dbraw/zinc/29/16/86/347291686.db2.gz WMHZBYYJOXXCKK-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO Cc1noc(C[N@@H+](C)C2CCC(C)(C)CC2)c1[N+](=O)[O-] ZINC000595340086 347293974 /nfs/dbraw/zinc/29/39/74/347293974.db2.gz VHVPUOYAZJEEHY-UHFFFAOYSA-N 1 0 281.356 3.292 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595041673 347267214 /nfs/dbraw/zinc/26/72/14/347267214.db2.gz NWZNHTTYOGYJJH-AAEUAGOBSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1noc(CNC(C)(C)c2cccc(C)c2)c1[N+](=O)[O-] ZINC000595416335 347300417 /nfs/dbraw/zinc/30/04/17/347300417.db2.gz AIBHQNVCBVUOEZ-UHFFFAOYSA-N 1 0 289.335 3.225 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595066202 347276215 /nfs/dbraw/zinc/27/62/15/347276215.db2.gz FXFIPWYMMUEBMG-YRGRVCCFSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000595765776 347353268 /nfs/dbraw/zinc/35/32/68/347353268.db2.gz OGOCLAIMOWCCCZ-GFCCVEGCSA-N 1 0 282.315 3.021 20 5 CGBDRO C[N@@H+]1CCN(c2sccc2[N+](=O)[O-])CC12CCCCC2 ZINC000596251653 347405114 /nfs/dbraw/zinc/40/51/14/347405114.db2.gz UUYCSVCHIWSCQC-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596306950 347414033 /nfs/dbraw/zinc/41/40/33/347414033.db2.gz JXTDQHHNGOUZFJ-LLVKDONJSA-N 1 0 295.358 3.266 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000596305899 347414053 /nfs/dbraw/zinc/41/40/53/347414053.db2.gz CMQYKGMTYTWYPH-SNVBAGLBSA-N 1 0 283.397 3.189 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596095350 347382628 /nfs/dbraw/zinc/38/26/28/347382628.db2.gz PLAJGYZSHSSRPK-LLVKDONJSA-N 1 0 283.397 3.109 20 5 CGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000596488849 347467423 /nfs/dbraw/zinc/46/74/23/347467423.db2.gz SHPXHTHIFUCSHZ-LLVKDONJSA-N 1 0 283.397 3.189 20 5 CGBDRO O=[N+]([O-])c1sccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000596569984 347481039 /nfs/dbraw/zinc/48/10/39/347481039.db2.gz FDWLEMIGQUREPV-LBPRGKRZSA-N 1 0 295.408 3.190 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598680523 347678477 /nfs/dbraw/zinc/67/84/77/347678477.db2.gz ZLVBFUAKJGCHSA-ONGXEEELSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC12CC2 ZINC000599016617 347706018 /nfs/dbraw/zinc/70/60/18/347706018.db2.gz LFAZZYJAZSICCC-ZDUSSCGKSA-N 1 0 260.337 3.265 20 5 CGBDRO Cc1csc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)n1 ZINC000599040360 347708897 /nfs/dbraw/zinc/70/88/97/347708897.db2.gz DDLQHDJONGABJV-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000599056647 347712122 /nfs/dbraw/zinc/71/21/22/347712122.db2.gz LILNXCPOEOAIFV-ZIAGYGMSSA-N 1 0 292.379 3.371 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000599072252 347714440 /nfs/dbraw/zinc/71/44/40/347714440.db2.gz HNYSGXDVEHQPFH-OAGGEKHMSA-N 1 0 290.363 3.129 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599092685 347716273 /nfs/dbraw/zinc/71/62/73/347716273.db2.gz RXBWUPNXQBZNOF-GLQYFDAESA-N 1 0 278.352 3.061 20 5 CGBDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000599354505 347738605 /nfs/dbraw/zinc/73/86/05/347738605.db2.gz PPIZYMSYQIAQIY-LRDDRELGSA-N 1 0 292.379 3.369 20 5 CGBDRO CCO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000599354585 347738700 /nfs/dbraw/zinc/73/87/00/347738700.db2.gz QKUUBRUWMQJNSL-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552801 347753536 /nfs/dbraw/zinc/75/35/36/347753536.db2.gz IUTPOHBKFKJRAA-MNOVXSKESA-N 1 0 296.367 3.204 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1 ZINC000599553717 347754428 /nfs/dbraw/zinc/75/44/28/347754428.db2.gz ZGFFPHPHZXWCRI-CABCVRRESA-N 1 0 292.404 3.107 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CC[NH2+]C12CCC2 ZINC000600674857 347828184 /nfs/dbraw/zinc/82/81/84/347828184.db2.gz JXXGMCHVZNWVQD-LBPRGKRZSA-N 1 0 297.305 3.229 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc(C[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000600787759 347835657 /nfs/dbraw/zinc/83/56/57/347835657.db2.gz FBSZAJNPEWSQSQ-AWEZNQCLSA-N 1 0 282.343 3.414 20 5 CGBDRO Cc1cc([C@@H]2CCC[NH2+]2)ccc1-c1ccc([N+](=O)[O-])nc1 ZINC000600790170 347836945 /nfs/dbraw/zinc/83/69/45/347836945.db2.gz YBLPPDCAPBDNAL-HNNXBMFYSA-N 1 0 283.331 3.390 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601108906 347870368 /nfs/dbraw/zinc/87/03/68/347870368.db2.gz OKPNBKKGVCTQQO-NSHDSACASA-N 1 0 283.397 3.189 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000601227682 347882967 /nfs/dbraw/zinc/88/29/67/347882967.db2.gz QRKUODPCPVAQGC-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO CC(C)(F)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000601287253 347888792 /nfs/dbraw/zinc/88/87/92/347888792.db2.gz FRFXLNHFMKLXGJ-CYBMUJFWSA-N 1 0 280.343 3.254 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000601300285 347889885 /nfs/dbraw/zinc/88/98/85/347889885.db2.gz YELISTVZWMHROP-JUFZMCDQSA-N 1 0 278.352 3.120 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601306629 347890586 /nfs/dbraw/zinc/89/05/86/347890586.db2.gz NKDSNXLORUUCDO-WHGOUJPWSA-N 1 0 274.242 3.196 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000601962665 347930153 /nfs/dbraw/zinc/93/01/53/347930153.db2.gz HQZBXOOQCGFRDP-FZMZJTMJSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)CC[C@@H]1CCC[C@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602815939 348033352 /nfs/dbraw/zinc/03/33/52/348033352.db2.gz MSGHLPOFEZLXRL-GXTWGEPZSA-N 1 0 294.399 3.023 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1CCO[C@@H](C)C1 ZINC000273348835 192122524 /nfs/dbraw/zinc/12/25/24/192122524.db2.gz AMIYOTZHJIVSKX-UONOGXRCSA-N 1 0 292.379 3.198 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1cccnc1[N+](=O)[O-] ZINC000608788509 348326918 /nfs/dbraw/zinc/32/69/18/348326918.db2.gz DDGKZJUBCDXORX-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO COC1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000339449471 215179710 /nfs/dbraw/zinc/17/97/10/215179710.db2.gz VBVLJEYERKSXSK-DAXSKMNVSA-N 1 0 290.363 3.157 20 5 CGBDRO CCOCC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000339452340 215181733 /nfs/dbraw/zinc/18/17/33/215181733.db2.gz WHBVMOJFPXKDMM-CLFYSBASSA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])s1 ZINC000609560590 348346819 /nfs/dbraw/zinc/34/68/19/348346819.db2.gz RJTRLPRIQVRCTM-IJLUTSLNSA-N 1 0 297.424 3.435 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610215246 348366956 /nfs/dbraw/zinc/36/69/56/348366956.db2.gz HAVBRJYTWGAPPV-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610215395 348367384 /nfs/dbraw/zinc/36/73/84/348367384.db2.gz PBDAXBMYGNDUGJ-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610390985 348380525 /nfs/dbraw/zinc/38/05/25/348380525.db2.gz GKEGYQOITGGSSL-KBPBESRZSA-N 1 0 291.395 3.118 20 5 CGBDRO O=[N+]([O-])c1sccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000609964794 348359377 /nfs/dbraw/zinc/35/93/77/348359377.db2.gz MLKYGRQHAICEOU-GFCCVEGCSA-N 1 0 295.408 3.111 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2C[C@@H]3CCC[C@H]3C2)cc1 ZINC000610682720 348395976 /nfs/dbraw/zinc/39/59/76/348395976.db2.gz NMRUPRUCUFLZHO-KBPBESRZSA-N 1 0 290.363 3.096 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCOC(C)(C)C ZINC000612578841 348529829 /nfs/dbraw/zinc/52/98/29/348529829.db2.gz RWVJJBAXIQLTFD-UHFFFAOYSA-N 1 0 280.368 3.150 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CCC2)c(Cl)c1 ZINC000613175392 348571889 /nfs/dbraw/zinc/57/18/89/348571889.db2.gz UHQLXXMMTJKSPV-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CCOc1cc(C[NH+]2C3CCC2CC3)ccc1[N+](=O)[O-] ZINC000617194792 348928305 /nfs/dbraw/zinc/92/83/05/348928305.db2.gz VYPSESOJYWXGMB-UHFFFAOYSA-N 1 0 276.336 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(CNc2cc3c(c[nH+]2)CCC3)c(F)c1 ZINC000339551312 215241214 /nfs/dbraw/zinc/24/12/14/215241214.db2.gz DDYHTWMYRNVUTI-UHFFFAOYSA-N 1 0 287.294 3.230 20 5 CGBDRO O=[N+]([O-])c1cccc(CNc2cc[nH+]c3c(O)cccc23)c1 ZINC000619478710 349253242 /nfs/dbraw/zinc/25/32/42/349253242.db2.gz MXESQUFHLOQGPP-UHFFFAOYSA-N 1 0 295.298 3.461 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)s1 ZINC000619503671 349254552 /nfs/dbraw/zinc/25/45/52/349254552.db2.gz WVDBLKHVHCOZDG-UHFFFAOYSA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000619724133 349279340 /nfs/dbraw/zinc/27/93/40/349279340.db2.gz GEQIQJZLXKOYCX-WFASDCNBSA-N 1 0 290.363 3.205 20 5 CGBDRO COCCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271503239 191177801 /nfs/dbraw/zinc/17/78/01/191177801.db2.gz NMKVOQHRZCGWAF-SNVBAGLBSA-N 1 0 286.759 3.153 20 5 CGBDRO COCC(C)(C)N(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000292161101 198186447 /nfs/dbraw/zinc/18/64/47/198186447.db2.gz OMLQKKKULSKVTL-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000152499001 188023764 /nfs/dbraw/zinc/02/37/64/188023764.db2.gz OSOHIXXHTUHHGM-BBRMVZONSA-N 1 0 294.395 3.434 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000292359870 198258279 /nfs/dbraw/zinc/25/82/79/198258279.db2.gz IBFNENURLXMOJL-GFCCVEGCSA-N 1 0 298.383 3.309 20 5 CGBDRO CC(C)[C@H](O)C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271884082 191388543 /nfs/dbraw/zinc/38/85/43/191388543.db2.gz QITCIYKISYHYBU-WFASDCNBSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1nccs1 ZINC000414223458 235368045 /nfs/dbraw/zinc/36/80/45/235368045.db2.gz OSYGNXAVWRSQHO-MNOVXSKESA-N 1 0 291.376 3.333 20 5 CGBDRO COC1([C@@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000414527418 235426196 /nfs/dbraw/zinc/42/61/96/235426196.db2.gz QZUQJLBDDUQRIR-DMTLFAOVSA-N 1 0 290.363 3.155 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[C@H]1CCC[NH2+]C1 ZINC000110792865 138363496 /nfs/dbraw/zinc/36/34/96/138363496.db2.gz NAKMXNVYEQQDRS-SNVBAGLBSA-N 1 0 283.759 3.050 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577961 138389599 /nfs/dbraw/zinc/38/95/99/138389599.db2.gz IUVKOVNIDQHDKZ-TZMCWYRMSA-N 1 0 293.411 3.284 20 5 CGBDRO C[C@H]([NH3+])[C@H](C)N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423451398 236074143 /nfs/dbraw/zinc/07/41/43/236074143.db2.gz UXGWWBOTRDBJTO-GDZNZVCISA-N 1 0 299.374 3.010 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CC34CC4)o2)c1 ZINC000424185945 236131229 /nfs/dbraw/zinc/13/12/29/236131229.db2.gz RKWJFANEDAPDJC-HNNXBMFYSA-N 1 0 284.315 3.497 20 5 CGBDRO CO[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000425411644 236245089 /nfs/dbraw/zinc/24/50/89/236245089.db2.gz YWTTVVRXIYRBIT-MRXNPFEDSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCOC1(C)C ZINC000294834466 199204019 /nfs/dbraw/zinc/20/40/19/199204019.db2.gz QGNRWCIRZWLPKK-WFASDCNBSA-N 1 0 292.379 3.073 20 5 CGBDRO CC[NH+](CC)CCCCNc1c(F)cccc1[N+](=O)[O-] ZINC000341937950 216158677 /nfs/dbraw/zinc/15/86/77/216158677.db2.gz XFUZFIVOKMKDQM-UHFFFAOYSA-N 1 0 283.347 3.268 20 5 CGBDRO CC[C@H](CNc1ccc([N+](=O)[O-])c(C)c1)[NH+]1CCCC1 ZINC000301087027 200912852 /nfs/dbraw/zinc/91/28/52/200912852.db2.gz IBCWEHWLRFNERJ-CQSZACIVSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1CCCSC1 ZINC000342289174 216293005 /nfs/dbraw/zinc/29/30/05/216293005.db2.gz WGCIRYZXLKKGQC-QTEJZOKPSA-N 1 0 292.404 3.341 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000181138382 189289447 /nfs/dbraw/zinc/28/94/47/189289447.db2.gz CEHMMLCMPMNYBK-IUODEOHRSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301969172 201281091 /nfs/dbraw/zinc/28/10/91/201281091.db2.gz ZXXGXPNNLSDDGI-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cc1 ZINC000449065082 239155398 /nfs/dbraw/zinc/15/53/98/239155398.db2.gz XMRPYOVELYERKH-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@@H](CCNc1cccc(F)c1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302137064 201360383 /nfs/dbraw/zinc/36/03/83/201360383.db2.gz IDZONQIKHBUKDO-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO Cc1ccc(C[NH2+]CCCC2CCOCC2)cc1[N+](=O)[O-] ZINC000449355143 239344623 /nfs/dbraw/zinc/34/46/23/239344623.db2.gz WCPYPYCALUATJO-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@](C)(F)C1 ZINC000451122758 240224412 /nfs/dbraw/zinc/22/44/12/240224412.db2.gz SPXBIWBMJXQAQH-FZMZJTMJSA-N 1 0 266.316 3.480 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000452017098 240395185 /nfs/dbraw/zinc/39/51/85/240395185.db2.gz KKKKJBOMFIQJGN-KCPJHIHWSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459782109 242230842 /nfs/dbraw/zinc/23/08/42/242230842.db2.gz XNMWYCRZKNEMEO-UHFFFAOYSA-N 1 0 290.363 3.286 20 5 CGBDRO C[C@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000481600298 243200345 /nfs/dbraw/zinc/20/03/45/243200345.db2.gz YSYKHNVOFQKSNJ-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000482891693 243249354 /nfs/dbraw/zinc/24/93/54/243249354.db2.gz ORHVXPINLWNWBT-ZDUSSCGKSA-N 1 0 280.368 3.342 20 5 CGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000194941079 284084689 /nfs/dbraw/zinc/08/46/89/284084689.db2.gz CMNHDPRQPADJIM-MRXNPFEDSA-N 1 0 292.379 3.376 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775610 369108990 /nfs/dbraw/zinc/10/89/90/369108990.db2.gz UVFBBPFPLAQASP-UGFHNGPFSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(NCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC000040772434 369162817 /nfs/dbraw/zinc/16/28/17/369162817.db2.gz LKTNADOFDSQIRW-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@@H](CCc1ccco1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000048548654 369358365 /nfs/dbraw/zinc/35/83/65/369358365.db2.gz CCQBHZBAQJRUAZ-ZDUSSCGKSA-N 1 0 288.347 3.341 20 5 CGBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)C1CCCCC1 ZINC000330844629 203304024 /nfs/dbraw/zinc/30/40/24/203304024.db2.gz JWDXJRBQAHCBTC-VXGBXAGGSA-N 1 0 294.399 3.023 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[NH+]1CCCCC1 ZINC000049502233 369405346 /nfs/dbraw/zinc/40/53/46/369405346.db2.gz RTTNAPBCOQYBJW-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO CC(C)[N@H+](C)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054128455 369496222 /nfs/dbraw/zinc/49/62/22/369496222.db2.gz RTRFWQFMULBOGW-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@](C)(O)C2)cc1[N+](=O)[O-] ZINC000129501645 370989990 /nfs/dbraw/zinc/98/99/90/370989990.db2.gz FASFGGDGEBYPKY-INIZCTEOSA-N 1 0 292.379 3.065 20 5 CGBDRO CCC(O)(CC)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000276285256 193271513 /nfs/dbraw/zinc/27/15/13/193271513.db2.gz XMNJTKGOAXBLAU-VQHVLOKHSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000062050716 369615112 /nfs/dbraw/zinc/61/51/12/369615112.db2.gz JFYYUVQPTQSPGH-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000063099137 369639024 /nfs/dbraw/zinc/63/90/24/369639024.db2.gz AJMDSEQBQSJLNK-QMMMGPOBSA-N 1 0 262.231 3.198 20 5 CGBDRO Cc1nc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cs1 ZINC000219152226 376197665 /nfs/dbraw/zinc/19/76/65/376197665.db2.gz TULLQYSAOUOCJZ-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000070357864 369797880 /nfs/dbraw/zinc/79/78/80/369797880.db2.gz GNUZDPBAFRGJBP-AAEUAGOBSA-N 1 0 278.352 3.203 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090725237 370066976 /nfs/dbraw/zinc/06/69/76/370066976.db2.gz LMIPDYHNDXVSPV-ONGXEEELSA-N 1 0 268.382 3.305 20 5 CGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000512241208 245027741 /nfs/dbraw/zinc/02/77/41/245027741.db2.gz DJVJXNOTRSCKEQ-GFCCVEGCSA-N 1 0 250.342 3.461 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049373 371079843 /nfs/dbraw/zinc/07/98/43/371079843.db2.gz IUKYHCMTPVARMT-LRDDRELGSA-N 1 0 291.395 3.118 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)CCC)c1cccc([N+](=O)[O-])c1 ZINC000131080727 371081994 /nfs/dbraw/zinc/08/19/94/371081994.db2.gz KTOGHMBLYAVCAK-LSDHHAIUSA-N 1 0 280.368 3.187 20 5 CGBDRO O=[N+]([O-])c1cccc(CN2CCc3ccsc3C2)c1 ZINC000132583967 371186103 /nfs/dbraw/zinc/18/61/03/371186103.db2.gz QGAREKWPFRDVAM-UHFFFAOYSA-N 1 0 274.345 3.215 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000134583576 371351394 /nfs/dbraw/zinc/35/13/94/371351394.db2.gz NHAJJOAHDTVSIC-CQSZACIVSA-N 1 0 280.393 3.312 20 5 CGBDRO C[C@H](NCC1([NH+](C)C)CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000149434536 371527821 /nfs/dbraw/zinc/52/78/21/371527821.db2.gz XMJXTWCXDKLCGE-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000220352427 376207874 /nfs/dbraw/zinc/20/78/74/376207874.db2.gz DSMNNXHGFOTCCN-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000344080729 217042043 /nfs/dbraw/zinc/04/20/43/217042043.db2.gz ZHERYRZJQGFEMR-LLVKDONJSA-N 1 0 266.366 3.444 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccn(C)c1 ZINC000158517487 372071554 /nfs/dbraw/zinc/07/15/54/372071554.db2.gz UJVBRVPNGCUFCS-LBPRGKRZSA-N 1 0 273.336 3.093 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000344226989 217108777 /nfs/dbraw/zinc/10/87/77/217108777.db2.gz ZWQJLWPZVIHRLO-CQSZACIVSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000160103979 372212192 /nfs/dbraw/zinc/21/21/92/372212192.db2.gz JZGGQSOFKKJUEB-KGLIPLIRSA-N 1 0 293.411 3.284 20 5 CGBDRO CC(C)[NH2+]C1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292476690 372192115 /nfs/dbraw/zinc/19/21/15/372192115.db2.gz LNLBXQIRWKJCSE-UHFFFAOYSA-N 1 0 297.786 3.215 20 5 CGBDRO C[C@@H](F)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429232292 372325190 /nfs/dbraw/zinc/32/51/90/372325190.db2.gz AWMFCTJBKXWEKB-SNVBAGLBSA-N 1 0 254.305 3.168 20 5 CGBDRO C[C@@H]1[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000432143999 372540388 /nfs/dbraw/zinc/54/03/88/372540388.db2.gz TYVJXHJHYFFWIF-MWLCHTKSSA-N 1 0 283.759 3.143 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC1(C)C ZINC000344413439 217186509 /nfs/dbraw/zinc/18/65/09/217186509.db2.gz YMWHTBIMQVDSRO-GFCCVEGCSA-N 1 0 278.352 3.129 20 5 CGBDRO CC[C@H](C)[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163974774 372502407 /nfs/dbraw/zinc/50/24/07/372502407.db2.gz ZRCKNDFORCELPJ-TUKIKUTGSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1ccsc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898506 372518236 /nfs/dbraw/zinc/51/82/36/372518236.db2.gz WIGILOGMEKBQRY-JTQLQIEISA-N 1 0 291.376 3.398 20 5 CGBDRO COC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000165915754 372558330 /nfs/dbraw/zinc/55/83/30/372558330.db2.gz BMSABKBAWZCGAT-TZMCWYRMSA-N 1 0 280.368 3.225 20 5 CGBDRO COC(C)(C)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167384220 372593841 /nfs/dbraw/zinc/59/38/41/372593841.db2.gz KVSDCUWNTIGTQN-UHFFFAOYSA-N 1 0 289.335 3.288 20 5 CGBDRO CC(C)([NH2+]CC1CC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000295200742 372700685 /nfs/dbraw/zinc/70/06/85/372700685.db2.gz NEEJGKYWMBYPHM-UHFFFAOYSA-N 1 0 284.306 3.465 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CC(F)(F)C1 ZINC000295310108 372734367 /nfs/dbraw/zinc/73/43/67/372734367.db2.gz KUPRJCZGAGAEJT-UHFFFAOYSA-N 1 0 284.306 3.114 20 5 CGBDRO Cc1csc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000344610864 217246657 /nfs/dbraw/zinc/24/66/57/217246657.db2.gz ADYPZEWQXIXVHD-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171950691 372867884 /nfs/dbraw/zinc/86/78/84/372867884.db2.gz USOZBLWOBHMTTN-NSHDSACASA-N 1 0 266.341 3.081 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000441441625 373014249 /nfs/dbraw/zinc/01/42/49/373014249.db2.gz RWNIBKYCXQPRLK-WFASDCNBSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]([NH2+]CCSC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000173335686 373126433 /nfs/dbraw/zinc/12/64/33/373126433.db2.gz GYMNMZJQYBYIQN-MRVPVSSYSA-N 1 0 294.298 3.498 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCOC1 ZINC000344898195 217349557 /nfs/dbraw/zinc/34/95/57/217349557.db2.gz ZXSBQRUGHBDFBM-OIQJVACTSA-N 1 0 290.363 3.014 20 5 CGBDRO C[C@]12CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1C2(F)F ZINC000298417173 373321989 /nfs/dbraw/zinc/32/19/89/373321989.db2.gz XLIVDYQXMZOLRA-OLZOCXBDSA-N 1 0 282.290 3.072 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc([N+](=O)[O-])c1 ZINC000353593334 220178191 /nfs/dbraw/zinc/17/81/91/220178191.db2.gz CZDLHLUERSHRRU-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC2CCCC2)n1 ZINC000447551406 373450634 /nfs/dbraw/zinc/45/06/34/373450634.db2.gz QFALEADTYFTFOY-UONOGXRCSA-N 1 0 292.383 3.055 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCC[NH2+]C2CCCCC2)cc1 ZINC000301072863 373649056 /nfs/dbraw/zinc/64/90/56/373649056.db2.gz GHYZJWTZIGUAIW-UHFFFAOYSA-N 1 0 277.368 3.319 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301113750 373665621 /nfs/dbraw/zinc/66/56/21/373665621.db2.gz KIUGFHFIUJOWLD-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301373886 373763916 /nfs/dbraw/zinc/76/39/16/373763916.db2.gz UXBBKXCYOCSIBK-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO CCOc1cc(NC[C@H](C)[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000178339168 373769245 /nfs/dbraw/zinc/76/92/45/373769245.db2.gz QCSNZSNESGAWFO-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000449491212 373781372 /nfs/dbraw/zinc/78/13/72/373781372.db2.gz FUVWDPVTEDPLQA-LBPRGKRZSA-N 1 0 284.306 3.428 20 5 CGBDRO CCO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449493287 373787343 /nfs/dbraw/zinc/78/73/43/373787343.db2.gz LCAIRIWUILOHCX-CZUORRHYSA-N 1 0 292.379 3.150 20 5 CGBDRO C[N@H+](CCOc1ccccc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000301603731 373789668 /nfs/dbraw/zinc/78/96/68/373789668.db2.gz CSLCMUGXQPSMKR-UHFFFAOYSA-N 1 0 286.331 3.106 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC1CC1 ZINC000179251296 373848251 /nfs/dbraw/zinc/84/82/51/373848251.db2.gz RVUBOYUDZAROQX-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179849421 373927160 /nfs/dbraw/zinc/92/71/60/373927160.db2.gz WYLNDSQMDIKJGD-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1cncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)c1 ZINC000181831801 374177220 /nfs/dbraw/zinc/17/72/20/374177220.db2.gz WOUKMWWBQABKIM-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C(C)C ZINC000310936424 374229294 /nfs/dbraw/zinc/22/92/94/374229294.db2.gz JVUXWSJQXYEKRN-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310927449 374229560 /nfs/dbraw/zinc/22/95/60/374229560.db2.gz IFJMLSXVCDATOF-JTQLQIEISA-N 1 0 254.305 3.354 20 5 CGBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000313956801 374311383 /nfs/dbraw/zinc/31/13/83/374311383.db2.gz HWFYWVFTEUQWOR-NSHDSACASA-N 1 0 295.358 3.186 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000314581130 374320155 /nfs/dbraw/zinc/32/01/55/374320155.db2.gz PJRAJYGQUGELCG-QGZVFWFLSA-N 1 0 298.342 3.251 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185192856 374606958 /nfs/dbraw/zinc/60/69/58/374606958.db2.gz NQIHWTXBKNTADX-HZPDHXFCSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636529 374704882 /nfs/dbraw/zinc/70/48/82/374704882.db2.gz RVWBYZIBCINOLH-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cs1 ZINC000335196533 375218735 /nfs/dbraw/zinc/21/87/35/375218735.db2.gz SBWVZNMEMUURPQ-MNOVXSKESA-N 1 0 252.339 3.031 20 5 CGBDRO COC[C@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189667911 375432486 /nfs/dbraw/zinc/43/24/86/375432486.db2.gz DWOLSCPHLXSGQO-CYBMUJFWSA-N 1 0 280.368 3.088 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000336810630 375963457 /nfs/dbraw/zinc/96/34/57/375963457.db2.gz ISZMNBXRWORMCY-MNOVXSKESA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000536841231 376134701 /nfs/dbraw/zinc/13/47/01/376134701.db2.gz YFDWFDIEZMEUGY-STQMWFEESA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)[N@H+](C)CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000221678919 376219697 /nfs/dbraw/zinc/21/96/97/376219697.db2.gz DMIBKSLARNHXOK-UHFFFAOYSA-N 1 0 285.775 3.390 20 5 CGBDRO Cc1ccc([C@@H](C)NCCC[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000221915464 376223754 /nfs/dbraw/zinc/22/37/54/376223754.db2.gz KIWWLMXEECVHQX-CQSZACIVSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000538725953 376260232 /nfs/dbraw/zinc/26/02/32/376260232.db2.gz IWTIYAPSSGXFJM-DGCLKSJQSA-N 1 0 262.353 3.381 20 5 CGBDRO CCC[C@H](C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539382008 376307199 /nfs/dbraw/zinc/30/71/99/376307199.db2.gz ZMFQXDCRTZTQCB-LBPRGKRZSA-N 1 0 262.353 3.389 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CCO)CCC1 ZINC000540156285 376360924 /nfs/dbraw/zinc/36/09/24/376360924.db2.gz LRDMWDSMXFNVQE-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NCCCCC[NH+]1CCCC1 ZINC000338759815 376517562 /nfs/dbraw/zinc/51/75/62/376517562.db2.gz XGVGFXIQONORAA-UHFFFAOYSA-N 1 0 295.358 3.412 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000233847530 376603907 /nfs/dbraw/zinc/60/39/07/376603907.db2.gz VSPVYSYIPJZHLB-TZMCWYRMSA-N 1 0 298.383 3.498 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000231884300 376575005 /nfs/dbraw/zinc/57/50/05/376575005.db2.gz NEGOCLUIIJHTEG-HUUCEWRRSA-N 1 0 292.379 3.196 20 5 CGBDRO COc1cc(C[N@H+](CC2CC2)C(C)C)c([N+](=O)[O-])cc1F ZINC000545223519 376800362 /nfs/dbraw/zinc/80/03/62/376800362.db2.gz OWXCAYAHGUTKOL-UHFFFAOYSA-N 1 0 296.342 3.363 20 5 CGBDRO CC1(C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000340420134 377049115 /nfs/dbraw/zinc/04/91/15/377049115.db2.gz KUNIRRLFWACVGD-LLVKDONJSA-N 1 0 286.278 3.084 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247165749 377169683 /nfs/dbraw/zinc/16/96/83/377169683.db2.gz ZVAHHBFQLDTEIP-QWHCGFSZSA-N 1 0 278.352 3.014 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000247695956 377233793 /nfs/dbraw/zinc/23/37/93/377233793.db2.gz WSJGAGQLKZHGKW-ZIAGYGMSSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]([NH2+]CCOCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000562278763 377290225 /nfs/dbraw/zinc/29/02/25/377290225.db2.gz UWJMBWFUXXFKLS-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000249019468 377444242 /nfs/dbraw/zinc/44/42/42/377444242.db2.gz JXPJQDGTZYITIS-VHDGCEQUSA-N 1 0 292.379 3.073 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000563443469 377467902 /nfs/dbraw/zinc/46/79/02/377467902.db2.gz UCPWGMCGBFYTKY-PTEHBNRSSA-N 1 0 298.289 3.084 20 5 CGBDRO Cc1ccc(C[N@H+]2CCCC[C@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000280621020 249069392 /nfs/dbraw/zinc/06/93/92/249069392.db2.gz ZUAIVHHKXOYURI-HIFRSBDPSA-N 1 0 292.379 3.029 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1C ZINC000313873726 249093315 /nfs/dbraw/zinc/09/33/15/249093315.db2.gz AKBSCZJEWBYABK-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO C[NH2+]CCCOc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC000516968206 249252553 /nfs/dbraw/zinc/25/25/53/249252553.db2.gz JBGNOJDJRVYRLI-UHFFFAOYSA-N 1 0 286.331 3.250 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cccc1[N+](=O)[O-] ZINC000251847012 377600994 /nfs/dbraw/zinc/60/09/94/377600994.db2.gz NFWFEBXXXAYAKT-YYWXWVFPSA-N 1 0 290.363 3.121 20 5 CGBDRO COCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)C ZINC000255396604 377756655 /nfs/dbraw/zinc/75/66/55/377756655.db2.gz MIRLYIJDLIXIEX-VURMDHGXSA-N 1 0 292.379 3.212 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000575325743 377879191 /nfs/dbraw/zinc/87/91/91/377879191.db2.gz AYUCPWRVQNFMRC-UGFHNGPFSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000262383747 377896451 /nfs/dbraw/zinc/89/64/51/377896451.db2.gz YZYIBYPLADSBQY-YMRXKLBXSA-N 1 0 297.358 3.390 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268929235 378154730 /nfs/dbraw/zinc/15/47/30/378154730.db2.gz ZAVOMSUINOCTHO-CZUORRHYSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697568 378256014 /nfs/dbraw/zinc/25/60/14/378256014.db2.gz XGIWYXAGFHUTHS-XPKDYRNWSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H](F)C1 ZINC000583934070 378359890 /nfs/dbraw/zinc/35/98/90/378359890.db2.gz LABZYXAKFIIHHC-CNPQOGTOSA-N 1 0 278.327 3.478 20 5 CGBDRO CCOCC[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271070015 378447328 /nfs/dbraw/zinc/44/73/28/378447328.db2.gz DXBDZDODMIBJSD-LBPRGKRZSA-N 1 0 298.408 3.092 20 5 CGBDRO Cc1ccoc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000271092216 378451372 /nfs/dbraw/zinc/45/13/72/378451372.db2.gz XAAYFRKYMMMJGR-UHFFFAOYSA-N 1 0 260.293 3.128 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCSC1)C1CC1 ZINC000271921768 378517642 /nfs/dbraw/zinc/51/76/42/378517642.db2.gz DYMYNNQAVXLWRR-KBPBESRZSA-N 1 0 292.404 3.011 20 5 CGBDRO CCc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)cn1 ZINC000348333129 378914858 /nfs/dbraw/zinc/91/48/58/378914858.db2.gz CEVVHMNUSVYWTO-UHFFFAOYSA-N 1 0 299.374 3.227 20 5 CGBDRO C/C=C\C[C@H](CO)[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000349311469 379224753 /nfs/dbraw/zinc/22/47/53/379224753.db2.gz JMXJZJZGNJYJCV-IKKNBEIESA-N 1 0 292.379 3.353 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000267305891 190319823 /nfs/dbraw/zinc/31/98/23/190319823.db2.gz VVBKYKPVHUGDFJ-OAHLLOKOSA-N 1 0 288.351 3.052 20 5 CGBDRO C[N@H+](CCCc1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000352571662 379863081 /nfs/dbraw/zinc/86/30/81/379863081.db2.gz XLQXYOJRNYXNIQ-UHFFFAOYSA-N 1 0 299.374 3.097 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1CC ZINC000352649610 379889822 /nfs/dbraw/zinc/88/98/22/379889822.db2.gz MAMBHJWSQAEZHJ-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785240 379958534 /nfs/dbraw/zinc/95/85/34/379958534.db2.gz VPXQLLVCRZKLLO-AAEUAGOBSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc(C[NH2+]CC2(C(F)(F)F)CC2)cc1[N+](=O)[O-] ZINC000353035211 380084822 /nfs/dbraw/zinc/08/48/22/380084822.db2.gz NSDFKWAAZLUVKF-UHFFFAOYSA-N 1 0 288.269 3.335 20 5 CGBDRO CCCC[C@@H](CN)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819499 380430590 /nfs/dbraw/zinc/43/05/90/380430590.db2.gz YXFGYNZKGWWJFM-HIFRSBDPSA-N 1 0 293.411 3.023 20 5 CGBDRO CO[C@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000354439297 380438761 /nfs/dbraw/zinc/43/87/61/380438761.db2.gz BOEBYJQUCBPFPG-GFCCVEGCSA-N 1 0 280.368 3.149 20 5 CGBDRO CC[NH2+]Cc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000414873803 380468671 /nfs/dbraw/zinc/46/86/71/380468671.db2.gz XTZPPAFJTTUFAC-UHFFFAOYSA-N 1 0 285.347 3.316 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000348140290 218473531 /nfs/dbraw/zinc/47/35/31/218473531.db2.gz APNKKJWLWHJEQF-JQWIXIFHSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000418112180 380702335 /nfs/dbraw/zinc/70/23/35/380702335.db2.gz BADDUBKDVKAPEF-KXUCPTDWSA-N 1 0 254.355 3.133 20 5 CGBDRO COCCCC[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000419378096 380822485 /nfs/dbraw/zinc/82/24/85/380822485.db2.gz CREMSBDKXUHHTM-CYBMUJFWSA-N 1 0 280.368 3.323 20 5 CGBDRO CC[C@H]1C[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984930 380970943 /nfs/dbraw/zinc/97/09/43/380970943.db2.gz ILLPAXLGSLUMBG-HIFRSBDPSA-N 1 0 292.379 3.232 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000357729997 381268391 /nfs/dbraw/zinc/26/83/91/381268391.db2.gz KLNRYGLINVNXKW-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000358351066 381305097 /nfs/dbraw/zinc/30/50/97/381305097.db2.gz HPCRGUDEQAVLIB-IUIKQTSFSA-N 1 0 290.363 3.121 20 5 CGBDRO CC(C)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000362391208 381972803 /nfs/dbraw/zinc/97/28/03/381972803.db2.gz NVXCDRPOBYJYMU-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411955090 533006936 /nfs/dbraw/zinc/00/69/36/533006936.db2.gz UHWKVWZVTWQRMW-WBMJQRKESA-N 1 0 292.379 3.196 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1 ZINC000247520245 285112593 /nfs/dbraw/zinc/11/25/93/285112593.db2.gz NIBZRIXZXZSROZ-DZGCQCFKSA-N 1 0 260.337 3.359 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCSC1)CCC2 ZINC000278730845 285144903 /nfs/dbraw/zinc/14/49/03/285144903.db2.gz MTGOCKLZSYWITK-BXUZGUMPSA-N 1 0 278.377 3.067 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCSC1)CCC2 ZINC000408366464 285145245 /nfs/dbraw/zinc/14/52/45/285145245.db2.gz OLSYYQXNRPKBFF-IUODEOHRSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1F)CCC2 ZINC000340523015 285145265 /nfs/dbraw/zinc/14/52/65/285145265.db2.gz MARVAWODRBQGTO-RBSFLKMASA-N 1 0 278.327 3.452 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000441441951 285164584 /nfs/dbraw/zinc/16/45/84/285164584.db2.gz CMHAKHSZYQYNCX-UONOGXRCSA-N 1 0 290.363 3.238 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@H]1C ZINC000470174911 533406760 /nfs/dbraw/zinc/40/67/60/533406760.db2.gz NVSJNCAXAIVNEY-CNELAYHGSA-N 1 0 260.337 3.482 20 5 CGBDRO C[C@@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423384021 533437429 /nfs/dbraw/zinc/43/74/29/533437429.db2.gz JRGBJPGBWSHZMK-IUODEOHRSA-N 1 0 291.395 3.024 20 5 CGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000361239572 392262894 /nfs/dbraw/zinc/26/28/94/392262894.db2.gz VYMIXAGNMIWHGH-LSDHHAIUSA-N 1 0 292.379 3.277 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000367629856 392478844 /nfs/dbraw/zinc/47/88/44/392478844.db2.gz BQNVYAMYBAFROQ-HZMBPMFUSA-N 1 0 286.335 3.046 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC000178315796 392676960 /nfs/dbraw/zinc/67/69/60/392676960.db2.gz OKCLXSWECPSXJN-FPCVCCKLSA-N 1 0 290.363 3.346 20 5 CGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000374675182 392688414 /nfs/dbraw/zinc/68/84/14/392688414.db2.gz DYGGRHDREOQLNV-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000375098423 392738753 /nfs/dbraw/zinc/73/87/53/392738753.db2.gz XWIXVCRMNFIDRH-OAHLLOKOSA-N 1 0 292.379 3.152 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CCOC(C)C)cc1[N+](=O)[O-] ZINC000186635821 392784214 /nfs/dbraw/zinc/78/42/14/392784214.db2.gz FDLTYKMYXHHFMD-LBPRGKRZSA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@H]1CC[C@@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738957 392818085 /nfs/dbraw/zinc/81/80/85/392818085.db2.gz OVXFQFNJTKHJQV-LRDDRELGSA-N 1 0 290.363 3.127 20 5 CGBDRO CC[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000522711322 392932037 /nfs/dbraw/zinc/93/20/37/392932037.db2.gz VMXDYEQQSMBHDX-AWEZNQCLSA-N 1 0 292.379 3.486 20 5 CGBDRO CCOc1cc(NCCC[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000221016498 393004388 /nfs/dbraw/zinc/00/43/88/393004388.db2.gz MMPJXHLUOJNCQS-UHFFFAOYSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1ccc(CN2CCc3c(cccc3[N+](=O)[O-])C2)c(C)n1 ZINC000548161341 393183380 /nfs/dbraw/zinc/18/33/80/393183380.db2.gz JEJWSLXEBAWHEB-UHFFFAOYSA-N 1 0 297.358 3.165 20 5 CGBDRO CCOC(C)(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468588529 393154903 /nfs/dbraw/zinc/15/49/03/393154903.db2.gz JCDJDVJNAPZXIR-UKTHLTGXSA-N 1 0 292.379 3.403 20 5 CGBDRO CCO[C@H]1C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783511 393231899 /nfs/dbraw/zinc/23/18/99/393231899.db2.gz XSNHZONLYMPEFD-GJZGRUSLSA-N 1 0 292.379 3.230 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948516 393235343 /nfs/dbraw/zinc/23/53/43/393235343.db2.gz VIMBGULZBSLPHG-ZBFHGGJFSA-N 1 0 292.379 3.230 20 5 CGBDRO [NH3+][C@@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000420219575 393439802 /nfs/dbraw/zinc/43/98/02/393439802.db2.gz QTTOGUIKBPRNLW-VIFPVBQESA-N 1 0 290.150 3.051 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555452 393477195 /nfs/dbraw/zinc/47/71/95/393477195.db2.gz FJZYIWYESCOEBT-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000430215386 393540464 /nfs/dbraw/zinc/54/04/64/393540464.db2.gz GPMWPLHJHZNEIT-IUODEOHRSA-N 1 0 290.363 3.368 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000420410733 393484644 /nfs/dbraw/zinc/48/46/44/393484644.db2.gz RHTPITBGTQLLLN-INIZCTEOSA-N 1 0 285.347 3.418 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC000429577285 393486390 /nfs/dbraw/zinc/48/63/90/393486390.db2.gz FFAKXPSDSPQHCP-KOLCDFICSA-N 1 0 254.355 3.277 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CCC([NH+](C)C)CC2)c1 ZINC000420619605 393508289 /nfs/dbraw/zinc/50/82/89/393508289.db2.gz ACGMDLQOUCFNQI-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO C[C@H]1C[C@@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000488451485 393519388 /nfs/dbraw/zinc/51/93/88/393519388.db2.gz VEIQHMZASBFBBK-GXTWGEPZSA-N 1 0 262.353 3.163 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000430234729 393546091 /nfs/dbraw/zinc/54/60/91/393546091.db2.gz BDAWKLUPYGNNKI-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CCc1cnccc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000361133957 393680566 /nfs/dbraw/zinc/68/05/66/393680566.db2.gz ASDQDVXOYBNXKR-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCOCC1CCCC1 ZINC000453587333 394251735 /nfs/dbraw/zinc/25/17/35/394251735.db2.gz RYEUQIGWVHAZNA-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000070306819 286987975 /nfs/dbraw/zinc/98/79/75/286987975.db2.gz AURFKXNYWOLTDN-LBPRGKRZSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000070306820 286988150 /nfs/dbraw/zinc/98/81/50/286988150.db2.gz AURFKXNYWOLTDN-GFCCVEGCSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1 ZINC000091463103 165265178 /nfs/dbraw/zinc/26/51/78/165265178.db2.gz LHSNHBXUASYRKG-UHFFFAOYSA-N 1 0 265.357 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000119325708 287168271 /nfs/dbraw/zinc/16/82/71/287168271.db2.gz SKJHWZHMWVIUHW-PHIMTYICSA-N 1 0 280.755 3.480 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000020130084 171018939 /nfs/dbraw/zinc/01/89/39/171018939.db2.gz QEMNHEKXKHUSGE-OAHLLOKOSA-N 1 0 268.316 3.372 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCCCCC2)cc1 ZINC000035677728 172348558 /nfs/dbraw/zinc/34/85/58/172348558.db2.gz XHJFKPCRQWGKKC-UHFFFAOYSA-N 1 0 262.353 3.450 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000037255316 173066105 /nfs/dbraw/zinc/06/61/05/173066105.db2.gz YYIMYNMQRVBQPL-AAEUAGOBSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037910713 173844150 /nfs/dbraw/zinc/84/41/50/173844150.db2.gz KGQYYBFKPVGNTA-SECBINFHSA-N 1 0 254.717 3.233 20 5 CGBDRO CCOC[C@@H](C)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000044690668 175233306 /nfs/dbraw/zinc/23/33/06/175233306.db2.gz BLHIGQOYXFWIFL-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC000054267441 175556862 /nfs/dbraw/zinc/55/68/62/175556862.db2.gz LDWOCJSRHKJDEE-UHFFFAOYSA-N 1 0 291.273 3.025 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCCCC1 ZINC000128246130 287306810 /nfs/dbraw/zinc/30/68/10/287306810.db2.gz QFXFCNGULKZAJL-AWEZNQCLSA-N 1 0 291.395 3.040 20 5 CGBDRO Cc1cncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000131105477 287370967 /nfs/dbraw/zinc/37/09/67/287370967.db2.gz REMPXTIXVMAETB-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040624118 270029956 /nfs/dbraw/zinc/02/99/56/270029956.db2.gz DAGWFQAYMHKWLD-NSHDSACASA-N 1 0 297.786 3.390 20 5 CGBDRO C[N@H+](Cc1cccc(F)c1)Cc1cccc([N+](=O)[O-])c1 ZINC000042977255 270033511 /nfs/dbraw/zinc/03/35/11/270033511.db2.gz DGDNSRSXGGQTRD-UHFFFAOYSA-N 1 0 274.295 3.366 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)C2CCC2)cs1 ZINC000324650345 270094585 /nfs/dbraw/zinc/09/45/85/270094585.db2.gz FTAQJAOPRCLWDJ-ZDUSSCGKSA-N 1 0 266.366 3.325 20 5 CGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000522712163 270106971 /nfs/dbraw/zinc/10/69/71/270106971.db2.gz FVKFJISVRFMZNR-INIZCTEOSA-N 1 0 292.379 3.484 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530460321 270200310 /nfs/dbraw/zinc/20/03/10/270200310.db2.gz KUSHENAWYDIUBH-YRGRVCCFSA-N 1 0 278.352 3.121 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000247066397 287730517 /nfs/dbraw/zinc/73/05/17/287730517.db2.gz YBMLZOVWEAXPFF-KCPJHIHWSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H](c1ccncc1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000171921432 274279216 /nfs/dbraw/zinc/27/92/16/274279216.db2.gz QUGKFFGSYAPGMI-LBPRGKRZSA-N 1 0 271.320 3.183 20 5 CGBDRO C[C@@H]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)O1 ZINC000453421153 274311567 /nfs/dbraw/zinc/31/15/67/274311567.db2.gz YIPDSAWUWVDGNQ-DIOULYMOSA-N 1 0 290.363 3.129 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164638 275981956 /nfs/dbraw/zinc/98/19/56/275981956.db2.gz ZYMNQOYAWRGCMR-HIFRSBDPSA-N 1 0 294.395 3.321 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449401181 276419124 /nfs/dbraw/zinc/41/91/24/276419124.db2.gz FULZWPNOPCLACY-IAQYHMDHSA-N 1 0 280.368 3.054 20 5 CGBDRO CC[C@@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433271775 276422105 /nfs/dbraw/zinc/42/21/05/276422105.db2.gz NVHGIDUGNFOUQB-XHDPSFHLSA-N 1 0 292.379 3.068 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000091555437 287909064 /nfs/dbraw/zinc/90/90/64/287909064.db2.gz MPPOKVSUXNIBPJ-CMPLNLGQSA-N 1 0 268.382 3.387 20 5 CGBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000117394324 278145264 /nfs/dbraw/zinc/14/52/64/278145264.db2.gz CLVIWWDKBJCFFR-GXTWGEPZSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)(F)F ZINC000396919777 288018279 /nfs/dbraw/zinc/01/82/79/288018279.db2.gz XTTRPPCJWWHJLO-MRVPVSSYSA-N 1 0 294.248 3.412 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)[C@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000397808337 288031068 /nfs/dbraw/zinc/03/10/68/288031068.db2.gz SHSUNJAVYQXHGF-WCQYABFASA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC=CCC1 ZINC000398259054 288041721 /nfs/dbraw/zinc/04/17/21/288041721.db2.gz BXFHBYYUYXABHC-CQSZACIVSA-N 1 0 264.300 3.322 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353810346 278615295 /nfs/dbraw/zinc/61/52/95/278615295.db2.gz CYPZEGDCPXETMJ-KMUNFCNLSA-N 1 0 260.337 3.360 20 5 CGBDRO Cc1ccc(CNc2cc3c(c[nH+]2)CCCC3)cc1[N+](=O)[O-] ZINC000461214471 288101598 /nfs/dbraw/zinc/10/15/98/288101598.db2.gz TXZYVFOXVALYDU-UHFFFAOYSA-N 1 0 297.358 3.211 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000337489714 280177492 /nfs/dbraw/zinc/17/74/92/280177492.db2.gz VHIJQHJGAUTJQU-YUELXQCFSA-N 1 0 260.337 3.263 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000357876067 280440575 /nfs/dbraw/zinc/44/05/75/280440575.db2.gz WJTAUSJKGITFPF-JGGQBBKZSA-N 1 0 292.379 3.449 20 5 CGBDRO COc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000548700400 289016474 /nfs/dbraw/zinc/01/64/74/289016474.db2.gz LKXRXJWBWFYUGT-UHFFFAOYSA-N 1 0 278.352 3.129 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)(C)O ZINC000551272629 289107054 /nfs/dbraw/zinc/10/70/54/289107054.db2.gz LULDIYYFMBORHR-RISCZKNCSA-N 1 0 280.368 3.103 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H]1C(C)C ZINC000552045083 289153938 /nfs/dbraw/zinc/15/39/38/289153938.db2.gz XTRMLJNXWUIODG-KGLIPLIRSA-N 1 0 278.352 3.128 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554833539 289312711 /nfs/dbraw/zinc/31/27/11/289312711.db2.gz NNVCYNREUZORBQ-GFCCVEGCSA-N 1 0 250.342 3.115 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000554993435 289322673 /nfs/dbraw/zinc/32/26/73/289322673.db2.gz APOIXXXFWMOXQV-KBPBESRZSA-N 1 0 293.411 3.283 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556234131 289378875 /nfs/dbraw/zinc/37/88/75/289378875.db2.gz VBUHCQPGONTFBS-BXUZGUMPSA-N 1 0 280.343 3.254 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CC1 ZINC000558255089 289482919 /nfs/dbraw/zinc/48/29/19/289482919.db2.gz CYDCESNRGWZXDZ-XQQFMLRXSA-N 1 0 296.317 3.159 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000132474253 290047655 /nfs/dbraw/zinc/04/76/55/290047655.db2.gz DLBHAUPNAMPIDU-JQWIXIFHSA-N 1 0 266.366 3.141 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388268620 327863520 /nfs/dbraw/zinc/86/35/20/327863520.db2.gz GHTVIGLSXISWDM-HSMVNMDESA-N 1 0 292.379 3.367 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000167056950 321908927 /nfs/dbraw/zinc/90/89/27/321908927.db2.gz PJISREJJVODEGO-SWLSCSKDSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ccc(NC(=O)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000563668587 322005960 /nfs/dbraw/zinc/00/59/60/322005960.db2.gz DEXHPJYFLRDRBG-LLVKDONJSA-N 1 0 299.330 3.349 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000568717301 322219657 /nfs/dbraw/zinc/21/96/57/322219657.db2.gz XHWVLZORWFEMRM-SGMGOOAPSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571460972 322299468 /nfs/dbraw/zinc/29/94/68/322299468.db2.gz DJMRHYFTBITLBT-UHIISALHSA-N 1 0 260.337 3.218 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCSc2ncccc2[N+](=O)[O-])C1 ZINC000584243063 327126266 /nfs/dbraw/zinc/12/62/66/327126266.db2.gz NUROPZTZXWQQLE-RYUDHWBXSA-N 1 0 295.408 3.060 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000577570276 335370568 /nfs/dbraw/zinc/37/05/68/335370568.db2.gz SVXKBROQWXRKEA-LLVKDONJSA-N 1 0 280.368 3.470 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581201403 336023996 /nfs/dbraw/zinc/02/39/96/336023996.db2.gz YTJKBBAISQIIBE-AWEZNQCLSA-N 1 0 292.379 3.377 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)ccn1 ZINC000581926213 336169614 /nfs/dbraw/zinc/16/96/14/336169614.db2.gz UQUSSWCNKLXJBW-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCC1 ZINC000468627335 500571577 /nfs/dbraw/zinc/57/15/77/500571577.db2.gz DZIIBQBHLYTNLG-WQLSENKSSA-N 1 0 260.337 3.388 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000362437482 534222506 /nfs/dbraw/zinc/22/25/06/534222506.db2.gz KCLXDZYEJWCBJU-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(O)c1 ZINC000449114157 534254158 /nfs/dbraw/zinc/25/41/58/534254158.db2.gz YRETZJSNAZFSGU-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774312 519811791 /nfs/dbraw/zinc/81/17/91/519811791.db2.gz DEFQTFDMBHXXTF-JTQLQIEISA-N 1 0 254.305 3.210 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097436537 521159411 /nfs/dbraw/zinc/15/94/11/521159411.db2.gz SSVBFDJMRUGASH-WFASDCNBSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000163961111 521161123 /nfs/dbraw/zinc/16/11/23/521161123.db2.gz FICREUBOHINWNG-RCBQFDQVSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@@](CO)([NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000265765207 525743497 /nfs/dbraw/zinc/74/34/97/525743497.db2.gz KQBSLWRLIGFIDO-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177517596 534886873 /nfs/dbraw/zinc/88/68/73/534886873.db2.gz UXOWENHQWUFKPD-BETUJISGSA-N 1 0 260.337 3.217 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccnc1 ZINC000414557094 527171958 /nfs/dbraw/zinc/17/19/58/527171958.db2.gz LCNLHKTXAUNJDG-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC2)c(Cl)c1 ZINC000088457777 527351018 /nfs/dbraw/zinc/35/10/18/527351018.db2.gz OQATVRCIXFOAOS-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO CCCC1CCC([N@H+](C)CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000362160299 528069848 /nfs/dbraw/zinc/06/98/48/528069848.db2.gz FVYFIUYBZCYNQS-UHFFFAOYSA-N 1 0 294.399 3.082 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414149775 528102588 /nfs/dbraw/zinc/10/25/88/528102588.db2.gz UBEINPLCOOTONY-FPMFFAJLSA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)C[C@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173457503 528499223 /nfs/dbraw/zinc/49/92/23/528499223.db2.gz OMDPEQGTWNHRCR-KGLIPLIRSA-N 1 0 294.395 3.290 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162206200 528831980 /nfs/dbraw/zinc/83/19/80/528831980.db2.gz YBUXFVASZPIWDN-LRDDRELGSA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@H]1CSc1ccc([N+](=O)[O-])cn1 ZINC000412996147 529004877 /nfs/dbraw/zinc/00/48/77/529004877.db2.gz DQDJDCBELXBEHN-ZDUSSCGKSA-N 1 0 295.408 3.345 20 5 CGBDRO CC[C@](C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000449471342 529362521 /nfs/dbraw/zinc/36/25/21/529362521.db2.gz CDQRSKNEYYUVDP-LOWQCSRCSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000459742412 535947725 /nfs/dbraw/zinc/94/77/25/535947725.db2.gz OBPMHANZYNOZPW-XPKDYRNWSA-N 1 0 292.379 3.073 20 5 CGBDRO CC(C)C[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000728899894 571846723 /nfs/dbraw/zinc/84/67/23/571846723.db2.gz VVJKXAJUEIKAGE-UHFFFAOYSA-N 1 0 288.351 3.004 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000742380460 572571141 /nfs/dbraw/zinc/57/11/41/572571141.db2.gz MGJZAZQAIIRGQR-YGRLFVJLSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000743864438 572693168 /nfs/dbraw/zinc/69/31/68/572693168.db2.gz JQGFHFODARQMRZ-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000736647026 572803295 /nfs/dbraw/zinc/80/32/95/572803295.db2.gz BBTWBKWXHQLZJO-INIZCTEOSA-N 1 0 285.347 3.477 20 5 CGBDRO CCCC[N@H+](Cn1nccc1[N+](=O)[O-])C1CCCCC1 ZINC000746045583 572848175 /nfs/dbraw/zinc/84/81/75/572848175.db2.gz VYJVRFHSGSIFIC-UHFFFAOYSA-N 1 0 280.372 3.184 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222387 572919676 /nfs/dbraw/zinc/91/96/76/572919676.db2.gz AUQFLBMDQFBFFP-WDEREUQCSA-N 1 0 297.786 3.451 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000749397808 572999407 /nfs/dbraw/zinc/99/94/07/572999407.db2.gz XOTFRODMKPOZSD-IRBQFCFKSA-N 1 0 286.331 3.422 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2CCCCS2)cccc1[N+](=O)[O-] ZINC000158190619 618619720 /nfs/dbraw/zinc/61/97/20/618619720.db2.gz WYEBNTLRTYKBQQ-ZDUSSCGKSA-N 1 0 280.393 3.279 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235148030 618700882 /nfs/dbraw/zinc/70/08/82/618700882.db2.gz CXDWJJXSVCKETD-GXTWGEPZSA-N 1 0 280.393 3.011 20 5 CGBDRO CC(C)[N@H+](C)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218988026 618706173 /nfs/dbraw/zinc/70/61/73/618706173.db2.gz SMJGQHGZXSNTQD-UHFFFAOYSA-N 1 0 299.802 3.068 20 5 CGBDRO CCCC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000050888841 618747082 /nfs/dbraw/zinc/74/70/82/618747082.db2.gz BLAKLHKSBHXXAP-LLVKDONJSA-N 1 0 266.341 3.272 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cnc1F ZINC000892620824 618877061 /nfs/dbraw/zinc/87/70/61/618877061.db2.gz DPVCMWJGSTUXFJ-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO COC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000093632989 619440440 /nfs/dbraw/zinc/44/04/40/619440440.db2.gz AAEPRPJJEDXOCT-LBPRGKRZSA-N 1 0 286.759 3.009 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000896510466 620015766 /nfs/dbraw/zinc/01/57/66/620015766.db2.gz QASVLAQXWRTTIC-LNLATYFQSA-N 1 0 270.279 3.289 20 5 CGBDRO CCO[C@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000897068861 620134257 /nfs/dbraw/zinc/13/42/57/620134257.db2.gz ZYJSIKUCCSTWNO-OVHOFWQVSA-N 1 0 290.363 3.109 20 5 CGBDRO CCC[C@H](C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897463464 620340530 /nfs/dbraw/zinc/34/05/30/620340530.db2.gz GIJCYEBNHZKYGD-QWHCGFSZSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000147661059 620343421 /nfs/dbraw/zinc/34/34/21/620343421.db2.gz WSOTWZZPDVHQCG-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cncs1 ZINC000897930002 620450622 /nfs/dbraw/zinc/45/06/22/620450622.db2.gz GMMKBESEPHKJCR-JOYOIKCWSA-N 1 0 289.360 3.389 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000897960115 620457060 /nfs/dbraw/zinc/45/70/60/620457060.db2.gz ZCZDKUXNUFXKHU-IDTSFGKNSA-N 1 0 272.348 3.360 20 5 CGBDRO C[N@H+](Cc1cc(-c2ccccc2[N+](=O)[O-])no1)C(C)(C)C ZINC000901393752 620873238 /nfs/dbraw/zinc/87/32/38/620873238.db2.gz CALAQMNYTYSSCA-UHFFFAOYSA-N 1 0 289.335 3.480 20 5 CGBDRO CCO[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000902793544 621449275 /nfs/dbraw/zinc/44/92/75/621449275.db2.gz KRVMPLQUCZGKFN-GOEBONIOSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903103820 621576064 /nfs/dbraw/zinc/57/60/64/621576064.db2.gz AJUPXWBRUQAISK-PWSUYJOCSA-N 1 0 296.392 3.150 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000903264854 621649961 /nfs/dbraw/zinc/64/99/61/621649961.db2.gz HPCRGUDEQAVLIB-LYRGGWFBSA-N 1 0 290.363 3.121 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000903286969 621669942 /nfs/dbraw/zinc/66/99/42/621669942.db2.gz LAYFCFBJRLYQRH-IVMMDQJWSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCOC1 ZINC000903287945 621670593 /nfs/dbraw/zinc/67/05/93/621670593.db2.gz UIUVQRAYMSNEHC-KYOSRNDESA-N 1 0 278.352 3.061 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC000903393994 621719246 /nfs/dbraw/zinc/71/92/46/621719246.db2.gz WYKDXBVZQZBVCG-NRUUGDAUSA-N 1 0 296.392 3.002 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C/C=C/Cl)cc([N+](=O)[O-])c1 ZINC000903444757 621756075 /nfs/dbraw/zinc/75/60/75/621756075.db2.gz QRCBGUSWJJYXMX-NWALNABHSA-N 1 0 270.716 3.007 20 5 CGBDRO C[NH+](C)C[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000788067296 625577128 /nfs/dbraw/zinc/57/71/28/625577128.db2.gz LYXLECULNMPRFM-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000227828520 623032069 /nfs/dbraw/zinc/03/20/69/623032069.db2.gz CKDFYDOSSRSKDR-QWHCGFSZSA-N 1 0 298.770 3.151 20 5 CGBDRO CC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000920256464 624463685 /nfs/dbraw/zinc/46/36/85/624463685.db2.gz IFYBRCXSMPVHRA-UHFFFAOYSA-N 1 0 285.347 3.054 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000179547011 624663700 /nfs/dbraw/zinc/66/37/00/624663700.db2.gz JJOYGEIVRTYUSS-NSHDSACASA-N 1 0 290.367 3.188 20 5 CGBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000839665107 626773123 /nfs/dbraw/zinc/77/31/23/626773123.db2.gz ZENYREAUNDCIKU-HNNXBMFYSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761511279 627047433 /nfs/dbraw/zinc/04/74/33/627047433.db2.gz QDQGRWPWRBYCSQ-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@H](C)C(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764884787 627231531 /nfs/dbraw/zinc/23/15/31/627231531.db2.gz JTVRQIQPOXZNIA-GFCCVEGCSA-N 1 0 290.367 3.187 20 5 CGBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582546 628221272 /nfs/dbraw/zinc/22/12/72/628221272.db2.gz VESRHNFNICOZHC-HZPDHXFCSA-N 1 0 292.379 3.139 20 5 CGBDRO C[N@H+](CC[C@@H]1CCOC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000783514176 628720314 /nfs/dbraw/zinc/72/03/14/628720314.db2.gz MHWVSOWZZVGMTC-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc[nH]1 ZINC000783650868 628735285 /nfs/dbraw/zinc/73/52/85/628735285.db2.gz QHDKTTVUIRZLTN-SECBINFHSA-N 1 0 279.727 3.427 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602477 629068357 /nfs/dbraw/zinc/06/83/57/629068357.db2.gz NQRNNYJHEWFFEW-YPMHNXCESA-N 1 0 295.383 3.033 20 5 CGBDRO CCCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788667146 629071576 /nfs/dbraw/zinc/07/15/76/629071576.db2.gz FYRWUPWTURIVCD-LLVKDONJSA-N 1 0 277.368 3.408 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752116 629078847 /nfs/dbraw/zinc/07/88/47/629078847.db2.gz UYFHDWHXCYJMRD-GHMZBOCLSA-N 1 0 277.368 3.406 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H]1CCSC1 ZINC000865654897 630256919 /nfs/dbraw/zinc/25/69/19/630256919.db2.gz WXJITJLNQPQQBJ-MASHWEEQSA-N 1 0 292.404 3.341 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CCSC1 ZINC000865654896 630259880 /nfs/dbraw/zinc/25/98/80/630259880.db2.gz WXJITJLNQPQQBJ-LQPUYASZSA-N 1 0 292.404 3.341 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000865734030 630555125 /nfs/dbraw/zinc/55/51/25/630555125.db2.gz FUIGTXJKVFRUMR-HOMQSWHASA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555569 631794246 /nfs/dbraw/zinc/79/42/46/631794246.db2.gz CFKLNJIXRBJJBD-QWRGUYRKSA-N 1 0 289.335 3.052 20 5 CGBDRO C[C@H]([NH2+]CC1(C2CC2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597755 631803731 /nfs/dbraw/zinc/80/37/31/631803731.db2.gz FGBQPCCJTWIVHF-NSHDSACASA-N 1 0 289.379 3.408 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1 ZINC000819092643 632377869 /nfs/dbraw/zinc/37/78/69/632377869.db2.gz BBBSNDZXJZOLQA-TWJWRFFLSA-N 1 0 292.379 3.043 20 5 CGBDRO CC[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819096014 632378574 /nfs/dbraw/zinc/37/85/74/632378574.db2.gz WTESZQWDQWFFCQ-INWMFGNUSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC(CC)(CC)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819155048 632390951 /nfs/dbraw/zinc/39/09/51/632390951.db2.gz OEUGDMBZSOXQMU-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CCCCCC2)c1 ZINC000819346318 632435653 /nfs/dbraw/zinc/43/56/53/632435653.db2.gz XWLUQMIWDOWCGR-MRXNPFEDSA-N 1 0 292.379 3.188 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CCCCCC2)c1 ZINC000819346316 632435789 /nfs/dbraw/zinc/43/57/89/632435789.db2.gz XWLUQMIWDOWCGR-INIZCTEOSA-N 1 0 292.379 3.188 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000866215717 633032090 /nfs/dbraw/zinc/03/20/90/633032090.db2.gz LMPSKKUNEMXGOI-LLVKDONJSA-N 1 0 292.310 3.090 20 5 CGBDRO CS[C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309353 633075929 /nfs/dbraw/zinc/07/59/29/633075929.db2.gz OINOOFCOTYYULO-VHSXEESVSA-N 1 0 286.372 3.006 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)C1(C)CC1 ZINC000866314260 633079053 /nfs/dbraw/zinc/07/90/53/633079053.db2.gz FHJMTBPFOOIWGX-MNOVXSKESA-N 1 0 280.343 3.443 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000866379078 633111720 /nfs/dbraw/zinc/11/17/20/633111720.db2.gz FLBIFMWXNFKJCC-ZKCLLBTKSA-N 1 0 278.327 3.053 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000866487114 633157074 /nfs/dbraw/zinc/15/70/74/633157074.db2.gz UWWFBPQPYNYDRN-IJLUTSLNSA-N 1 0 280.393 3.448 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000823996624 633179176 /nfs/dbraw/zinc/17/91/76/633179176.db2.gz MPUUZUHQGFAGDV-DGCLKSJQSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866581940 633201537 /nfs/dbraw/zinc/20/15/37/633201537.db2.gz FSGRGWJPEOGDEH-BNOWGMLFSA-N 1 0 292.404 3.341 20 5 CGBDRO C[C@H]([NH2+]C[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000830161662 633834855 /nfs/dbraw/zinc/83/48/55/633834855.db2.gz UJZYIDHBIVHNIO-JTQLQIEISA-N 1 0 252.390 3.123 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccnc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872021228 633941857 /nfs/dbraw/zinc/94/18/57/633941857.db2.gz OQHQFSMTYDRGPL-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO CO[C@H](C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031540 633950539 /nfs/dbraw/zinc/95/05/39/633950539.db2.gz QKBMUEOAKLGASP-GHMZBOCLSA-N 1 0 298.408 3.392 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC(C)C ZINC000872061668 633983577 /nfs/dbraw/zinc/98/35/77/633983577.db2.gz FSOXJFWWTNBXCN-LLVKDONJSA-N 1 0 298.408 3.392 20 5 CGBDRO CC[C@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872073585 633995452 /nfs/dbraw/zinc/99/54/52/633995452.db2.gz SBTIZOFCSOMTGR-ZYHUDNBSSA-N 1 0 298.408 3.392 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872075169 633998393 /nfs/dbraw/zinc/99/83/93/633998393.db2.gz PFQYJCNEDSPIHE-MNOVXSKESA-N 1 0 284.331 3.200 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087167 634013200 /nfs/dbraw/zinc/01/32/00/634013200.db2.gz GPTFRWGUMIVSGB-NEPJUHHUSA-N 1 0 296.342 3.201 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000872129493 634050354 /nfs/dbraw/zinc/05/03/54/634050354.db2.gz DKNWDOJFBPSGLL-JMSVASOKSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CCSCC1 ZINC000873044676 634236166 /nfs/dbraw/zinc/23/61/66/634236166.db2.gz UZAZNNCDSVGMLB-UHFFFAOYSA-N 1 0 280.393 3.197 20 5 CGBDRO Cc1cncc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)c1 ZINC000873097051 634245283 /nfs/dbraw/zinc/24/52/83/634245283.db2.gz FEOGFCAHKOIMDQ-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000834815105 634246604 /nfs/dbraw/zinc/24/66/04/634246604.db2.gz TVTCAASRUZPYLS-VHSXEESVSA-N 1 0 274.324 3.038 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000873130736 634252735 /nfs/dbraw/zinc/25/27/35/634252735.db2.gz JFEZIWYKJOEINU-CMPLNLGQSA-N 1 0 280.393 3.195 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H](C)Cc1ccccn1 ZINC000873134022 634253873 /nfs/dbraw/zinc/25/38/73/634253873.db2.gz WNKSQVZAMKBBKU-CYBMUJFWSA-N 1 0 299.374 3.327 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1SCCS1 ZINC000873138602 634257204 /nfs/dbraw/zinc/25/72/04/634257204.db2.gz KUUNECBMWIUKAS-UHFFFAOYSA-N 1 0 298.433 3.107 20 5 CGBDRO Cc1c(C[NH2+]C(C)(C)[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873149072 634258172 /nfs/dbraw/zinc/25/81/72/634258172.db2.gz LIQYKRFTXBBMOJ-OAHLLOKOSA-N 1 0 292.379 3.341 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840956119 635093247 /nfs/dbraw/zinc/09/32/47/635093247.db2.gz CSTQPFOTDCQEPO-NSHDSACASA-N 1 0 254.717 3.136 20 5 CGBDRO Cc1ccncc1CCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000877730020 635165965 /nfs/dbraw/zinc/16/59/65/635165965.db2.gz JXKNMGGRGZXYHI-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2nccs2)C1 ZINC000880313408 635971805 /nfs/dbraw/zinc/97/18/05/635971805.db2.gz MVPAEAGDLRXMOG-GFCCVEGCSA-N 1 0 289.360 3.041 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000846040639 636136744 /nfs/dbraw/zinc/13/67/44/636136744.db2.gz XNLRDVXDEWLSDW-CHWSQXEVSA-N 1 0 286.734 3.389 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@H+](C1CC1)C1CCCCC1 ZINC000885955790 637329520 /nfs/dbraw/zinc/32/95/20/637329520.db2.gz AXYIZFKZYGJYJL-UHFFFAOYSA-N 1 0 275.352 3.287 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000886114664 637421848 /nfs/dbraw/zinc/42/18/48/637421848.db2.gz UKJGQBHRTUAULH-AWEZNQCLSA-N 1 0 277.368 3.438 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886184088 637451431 /nfs/dbraw/zinc/45/14/31/637451431.db2.gz UDICZAVTMXYODE-ZDUSSCGKSA-N 1 0 277.368 3.248 20 5 CGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852710880 637697898 /nfs/dbraw/zinc/69/78/98/637697898.db2.gz AJZGAWFEPGBOLY-JGGQBBKZSA-N 1 0 292.379 3.281 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000853411406 637838336 /nfs/dbraw/zinc/83/83/36/637838336.db2.gz LHXPVFWFGXJNST-GHMZBOCLSA-N 1 0 283.397 3.249 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1(Cl)CC1 ZINC000925515574 638516389 /nfs/dbraw/zinc/51/63/89/638516389.db2.gz UPSDGQXGSXUAFI-MRVPVSSYSA-N 1 0 289.162 3.498 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCOC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000926272346 638757805 /nfs/dbraw/zinc/75/78/05/638757805.db2.gz WNHYCEFVXXFFTN-GJZGRUSLSA-N 1 0 292.379 3.054 20 5 CGBDRO C[C@H]([NH2+]CCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000930207782 638982846 /nfs/dbraw/zinc/98/28/46/638982846.db2.gz FPBFUCVBFGXIAW-ZDUSSCGKSA-N 1 0 285.347 3.273 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccns1 ZINC000858575873 638995493 /nfs/dbraw/zinc/99/54/93/638995493.db2.gz FPBLJWIYIBWQLD-IUCAKERBSA-N 1 0 292.364 3.045 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858780114 639021522 /nfs/dbraw/zinc/02/15/22/639021522.db2.gz IXYZGFUDUWARFS-GFCCVEGCSA-N 1 0 293.342 3.163 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000930595006 639034557 /nfs/dbraw/zinc/03/45/57/639034557.db2.gz ROFPVHYRWKOEBX-RFQIPJPRSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932177374 639287523 /nfs/dbraw/zinc/28/75/23/639287523.db2.gz OIHZSSBJIAFUPI-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2C[NH2+]C3)c1F ZINC001159766336 806167658 /nfs/dbraw/zinc/16/76/58/806167658.db2.gz HDJLCGFOHJAFLE-UHFFFAOYSA-N 1 0 291.257 3.220 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(C[NH3+])c1 ZINC001254537286 806446369 /nfs/dbraw/zinc/44/63/69/806446369.db2.gz ZCNKPNFLVCPJPP-LBPRGKRZSA-N 1 0 285.347 3.097 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC001254541372 806446481 /nfs/dbraw/zinc/44/64/81/806446481.db2.gz GYDVWFOTHUJFTG-NWDGAFQWSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(F)CCC1 ZINC001254543191 806446809 /nfs/dbraw/zinc/44/68/09/806446809.db2.gz CKUSOVSXDXVPNV-NSHDSACASA-N 1 0 266.316 3.008 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)CC1 ZINC001254550168 806447544 /nfs/dbraw/zinc/44/75/44/806447544.db2.gz DXDGUMARMPROBS-ZDUSSCGKSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CCC2)C1 ZINC001254552043 806449323 /nfs/dbraw/zinc/44/93/23/806449323.db2.gz IJHIBKOBKJLWQR-GFCCVEGCSA-N 1 0 260.337 3.012 20 5 CGBDRO Cc1ccccc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565657 806451339 /nfs/dbraw/zinc/45/13/39/806451339.db2.gz FIWMIXRJIYRTOB-MRXNPFEDSA-N 1 0 282.343 3.160 20 5 CGBDRO C[NH2+]Cc1ccc(N[C@H](C)Cc2ccccc2[N+](=O)[O-])cc1 ZINC001254562951 806451953 /nfs/dbraw/zinc/45/19/53/806451953.db2.gz SDVIFRQTLRYGEJ-CYBMUJFWSA-N 1 0 299.374 3.357 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)CC12CC2 ZINC001254566175 806452912 /nfs/dbraw/zinc/45/29/12/806452912.db2.gz RJLFAXMMPGOYFA-QWHCGFSZSA-N 1 0 274.364 3.400 20 5 CGBDRO CC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254574847 806454244 /nfs/dbraw/zinc/45/42/44/806454244.db2.gz LMJXHVXQKDZSJF-RDJZCZTQSA-N 1 0 297.358 3.198 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577726 806454827 /nfs/dbraw/zinc/45/48/27/806454827.db2.gz GOHVRDPHVGMSMU-HIFRSBDPSA-N 1 0 274.364 3.230 20 5 CGBDRO CCC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592361 806456826 /nfs/dbraw/zinc/45/68/26/806456826.db2.gz CDERPPINPUWWHX-INIZCTEOSA-N 1 0 274.364 3.184 20 5 CGBDRO C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254603021 806460070 /nfs/dbraw/zinc/46/00/70/806460070.db2.gz KLQDNMARJDQJTQ-WQGACYEGSA-N 1 0 274.364 3.182 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036993456 798854025 /nfs/dbraw/zinc/85/40/25/798854025.db2.gz COWBOQXWHIPRDP-RYUDHWBXSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000036993398 798854603 /nfs/dbraw/zinc/85/46/03/798854603.db2.gz FOGHDKFFVYTODI-NWDGAFQWSA-N 1 0 274.320 3.470 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccco2)cccc1[N+](=O)[O-] ZINC000038092607 798884713 /nfs/dbraw/zinc/88/47/13/798884713.db2.gz ADVJZVDSJQUZIT-NSHDSACASA-N 1 0 274.320 3.217 20 5 CGBDRO C[C@H]([NH2+]CC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000692851083 799802317 /nfs/dbraw/zinc/80/23/17/799802317.db2.gz LLUSXCJOMFEHKP-VIFPVBQESA-N 1 0 284.406 3.052 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1cccc([N+](=O)[O-])c1 ZINC000695637708 799831354 /nfs/dbraw/zinc/83/13/54/799831354.db2.gz LADCXCUGXBHKAQ-ZJUUUORDSA-N 1 0 268.744 3.405 20 5 CGBDRO CC1(C)C[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000709706836 800014824 /nfs/dbraw/zinc/01/48/24/800014824.db2.gz RHCQDWJEIOCKRW-NSHDSACASA-N 1 0 298.408 3.340 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCCS2)cs1 ZINC000715665459 800142754 /nfs/dbraw/zinc/14/27/54/800142754.db2.gz CUOAWIIWSQNBSV-SNVBAGLBSA-N 1 0 272.395 3.032 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000715882179 800151457 /nfs/dbraw/zinc/15/14/57/800151457.db2.gz PHXHQIZJKSNVAI-CYBMUJFWSA-N 1 0 280.393 3.279 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000716064913 800164195 /nfs/dbraw/zinc/16/41/95/800164195.db2.gz FORWRKYLMJCYQL-LQDVMPOASA-N 1 0 292.404 3.359 20 5 CGBDRO C[C@@H]1[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000719599490 800244859 /nfs/dbraw/zinc/24/48/59/800244859.db2.gz JQUFRNKOEHHXCB-PSASIEDQSA-N 1 0 285.294 3.037 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000779346363 800388102 /nfs/dbraw/zinc/38/81/02/800388102.db2.gz WGVJSLPJFSLCIQ-WCBMZHEXSA-N 1 0 289.162 3.439 20 5 CGBDRO CC[N@H+](C)[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC001164400446 806944646 /nfs/dbraw/zinc/94/46/46/806944646.db2.gz DGQLNWPXLGLUNA-LLVKDONJSA-N 1 0 299.321 3.063 20 5 CGBDRO CC1([NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 ZINC001116094377 802298573 /nfs/dbraw/zinc/29/85/73/802298573.db2.gz PWAKSEVYNMBLOO-UHFFFAOYSA-N 1 0 272.304 3.497 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@H](F)C3)nc2c1 ZINC001119304273 802645968 /nfs/dbraw/zinc/64/59/68/802645968.db2.gz RHCDPTOZGFXRTA-VHSXEESVSA-N 1 0 293.298 3.106 20 5 CGBDRO OC1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141723464 804665275 /nfs/dbraw/zinc/66/52/75/804665275.db2.gz YRDWZBCUYKAZMO-UHFFFAOYSA-N 1 0 263.340 3.170 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N1CCCC1 ZINC001249544157 805170605 /nfs/dbraw/zinc/17/06/05/805170605.db2.gz AQXWCFGUZWXHOB-UHFFFAOYSA-N 1 0 299.334 3.037 20 5 CGBDRO C[C@@H]1C[C@@H](CNc2ccc3ccc4cccnc4c3n2)C[NH2+]1 ZINC001155101153 805538843 /nfs/dbraw/zinc/53/88/43/805538843.db2.gz MFCCBUUHFIWOCT-CHWSQXEVSA-N 1 0 292.386 3.193 20 5 CGBDRO CC(C)(C)c1ccc(-n2cccc2C[NH3+])c([N+](=O)[O-])c1 ZINC001167593443 807210552 /nfs/dbraw/zinc/21/05/52/807210552.db2.gz UAEILSYIJVASBG-UHFFFAOYSA-N 1 0 273.336 3.142 20 5 CGBDRO C[NH+](C)CC(C)(C)CNc1cc2cc[nH]c2c([N+](=O)[O-])c1 ZINC001168767794 807507901 /nfs/dbraw/zinc/50/79/01/807507901.db2.gz JDXCPDHCVPHHLA-UHFFFAOYSA-N 1 0 290.367 3.076 20 5 CGBDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168961607 807541866 /nfs/dbraw/zinc/54/18/66/807541866.db2.gz JAXJSJOKQAMDOR-ZOWXZIJZSA-N 1 0 287.363 3.279 20 5 CGBDRO CCCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168966663 807542540 /nfs/dbraw/zinc/54/25/40/807542540.db2.gz KRKMENCVLBEGCV-LSDHHAIUSA-N 1 0 292.379 3.010 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168970667 807544239 /nfs/dbraw/zinc/54/42/39/807544239.db2.gz IDCLTLXFYWTHAJ-NHCYSSNCSA-N 1 0 284.306 3.061 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168977346 807544936 /nfs/dbraw/zinc/54/49/36/807544936.db2.gz ARRXFCBIICPJDS-KKUMJFAQSA-N 1 0 276.380 3.399 20 5 CGBDRO CC(C)(C)CC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978099 807546114 /nfs/dbraw/zinc/54/61/14/807546114.db2.gz OJCHZKLYHIAUGP-NEPJUHHUSA-N 1 0 256.390 3.236 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001168979528 807546118 /nfs/dbraw/zinc/54/61/18/807546118.db2.gz YZVCCTINBYLYPD-XNRPHZJLSA-N 1 0 274.364 3.017 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001168987323 807547178 /nfs/dbraw/zinc/54/71/78/807547178.db2.gz IGQWNAIQXNBABJ-QWHCGFSZSA-N 1 0 290.354 3.237 20 5 CGBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987005 807547383 /nfs/dbraw/zinc/54/73/83/807547383.db2.gz GYJGVLRVONPHLY-ZNMIVQPWSA-N 1 0 276.380 3.399 20 5 CGBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990853 807548123 /nfs/dbraw/zinc/54/81/23/807548123.db2.gz FAPTVJXXQNCNSD-SGMGOOAPSA-N 1 0 280.343 3.230 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001168992804 807548141 /nfs/dbraw/zinc/54/81/41/807548141.db2.gz KSSNNUYVKQPJKM-XJKSGUPXSA-N 1 0 274.364 3.099 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001169000307 807549082 /nfs/dbraw/zinc/54/90/82/807549082.db2.gz XLHVXHLFAQHCGK-HOSYDEDBSA-N 1 0 284.306 3.061 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001169000309 807549410 /nfs/dbraw/zinc/54/94/10/807549410.db2.gz XLHVXHLFAQHCGK-NHCYSSNCSA-N 1 0 284.306 3.061 20 5 CGBDRO Cc1cccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168998288 807549472 /nfs/dbraw/zinc/54/94/72/807549472.db2.gz KYHUCQWWLALASX-GOEBONIOSA-N 1 0 288.391 3.409 20 5 CGBDRO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024372 807554474 /nfs/dbraw/zinc/55/44/74/807554474.db2.gz GUMXMFVERYLCAD-OCCSQVGLSA-N 1 0 282.771 3.217 20 5 CGBDRO Cc1cnc(C[NH3+])n1-c1nc2ccccc2c2ccccc21 ZINC001169030451 807555272 /nfs/dbraw/zinc/55/52/72/807555272.db2.gz AURSPHKRPFNLKK-UHFFFAOYSA-N 1 0 288.354 3.341 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035812 807555519 /nfs/dbraw/zinc/55/55/19/807555519.db2.gz CKOCEYLEQIHKCX-DGCLKSJQSA-N 1 0 294.782 3.144 20 5 CGBDRO CC1(C)C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039263 807557739 /nfs/dbraw/zinc/55/77/39/807557739.db2.gz OSEIKYGSLWJAQH-ZFWWWQNUSA-N 1 0 288.391 3.225 20 5 CGBDRO CC[N@H+](Cc1ccc(C)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169050185 807559651 /nfs/dbraw/zinc/55/96/51/807559651.db2.gz ZGDBFQPDMVWOGU-HZPDHXFCSA-N 1 0 276.380 3.262 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC001169054205 807561467 /nfs/dbraw/zinc/56/14/67/807561467.db2.gz KRSLMVRVEAZAAO-XNRPHZJLSA-N 1 0 274.364 3.051 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001170341520 807827845 /nfs/dbraw/zinc/82/78/45/807827845.db2.gz JTUKXIYLXVIKDW-LLVKDONJSA-N 1 0 280.368 3.265 20 5 CGBDRO COc1ccc(C[C@H](C)[N@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC001170348463 807827937 /nfs/dbraw/zinc/82/79/37/807827937.db2.gz XESOUIIJBUPVKS-LBPRGKRZSA-N 1 0 292.379 3.266 20 5 CGBDRO CC1(C)C[NH+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909951 808475967 /nfs/dbraw/zinc/47/59/67/808475967.db2.gz VYZBIUGSPHHOEJ-CQSZACIVSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1cccnc1)CC2 ZINC001172899134 808476378 /nfs/dbraw/zinc/47/63/78/808476378.db2.gz UBJFRRJNRAPUNT-MRXNPFEDSA-N 1 0 297.358 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1C3CCC1CC3)CC2 ZINC001172913212 808477643 /nfs/dbraw/zinc/47/76/43/808477643.db2.gz QFTRQUGGXZYRAD-FHERZECASA-N 1 0 286.375 3.469 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912353 808477793 /nfs/dbraw/zinc/47/77/93/808477793.db2.gz NKBIVMCFEAULTN-HIFRSBDPSA-N 1 0 274.364 3.230 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@H]2C)c1F ZINC001173187134 808533603 /nfs/dbraw/zinc/53/36/03/808533603.db2.gz XTRGFSDMCIKJHG-MNOVXSKESA-N 1 0 296.342 3.158 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=[NH2+])C(C)(C)C ZINC001173209438 808537484 /nfs/dbraw/zinc/53/74/84/808537484.db2.gz BVHORMINQMQEIR-SNVBAGLBSA-N 1 0 263.341 3.139 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](F)CC1 ZINC001173210038 808538050 /nfs/dbraw/zinc/53/80/50/808538050.db2.gz GZASVYPGSAPHRM-BNOWGMLFSA-N 1 0 280.343 3.396 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001173213020 808538778 /nfs/dbraw/zinc/53/87/78/808538778.db2.gz CILVFHCZQJLUER-NSHDSACASA-N 1 0 274.320 3.217 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@](C)(CF)C1 ZINC001173222998 808539900 /nfs/dbraw/zinc/53/99/00/808539900.db2.gz WAZLONFUWYNBKE-WFASDCNBSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccncc2)CC1 ZINC001173218567 808540151 /nfs/dbraw/zinc/54/01/51/808540151.db2.gz QPMWSQJETZFZNO-CYBMUJFWSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]COc1ccccc1 ZINC001173220312 808540499 /nfs/dbraw/zinc/54/04/99/808540499.db2.gz YAYOAEXTSGDLSD-ZDUSSCGKSA-N 1 0 286.331 3.152 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC2(CCC2)C1 ZINC001173221088 808540536 /nfs/dbraw/zinc/54/05/36/808540536.db2.gz FLXKIGSDAUYGHG-GFCCVEGCSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CC2CC2)CC1 ZINC001173229316 808543099 /nfs/dbraw/zinc/54/30/99/808543099.db2.gz MRIMGKXOMDZUPD-GFCCVEGCSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1COc2ccccc21 ZINC001173236129 808544398 /nfs/dbraw/zinc/54/43/98/808544398.db2.gz XDRCDBFIUWKQHQ-MLGOLLRUSA-N 1 0 298.342 3.249 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc3[nH+]ccn3c2)cc1 ZINC001175899147 809567301 /nfs/dbraw/zinc/56/73/01/809567301.db2.gz KUMBLXGQDGKDHW-VQHVLOKHSA-N 1 0 280.287 3.325 20 5 CGBDRO Cc1cccc2c1[nH+]c(N)n2-c1ccc(C)c([N+](=O)[O-])c1 ZINC001213659878 815318571 /nfs/dbraw/zinc/31/85/71/815318571.db2.gz DPZHCSVWTBAKDN-UHFFFAOYSA-N 1 0 282.303 3.133 20 5 CGBDRO CC[C@@](C)(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001179913625 809956817 /nfs/dbraw/zinc/95/68/17/809956817.db2.gz ATEVOEZBRKAHBC-INIZCTEOSA-N 1 0 292.379 3.374 20 5 CGBDRO CC[C@@H](CNc1cc(C)sc1[N+](=O)[O-])[NH+]1CCCC1 ZINC001184819863 810220633 /nfs/dbraw/zinc/22/06/33/810220633.db2.gz HDVMCOAYXKTGAF-NSHDSACASA-N 1 0 283.397 3.251 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001186627971 810351682 /nfs/dbraw/zinc/35/16/82/810351682.db2.gz WLQTZUUMLHOCKW-ZDUSSCGKSA-N 1 0 279.384 3.436 20 5 CGBDRO CC(C)Cc1ccc([C@H]([NH2+]CC[N+](=O)[O-])C2CC2)cc1 ZINC001192594265 810809201 /nfs/dbraw/zinc/80/92/01/810809201.db2.gz GZWMOWDFZUUBRU-INIZCTEOSA-N 1 0 276.380 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2c[nH+]ccc2N2CCCC2)c1 ZINC001204449512 812642313 /nfs/dbraw/zinc/64/23/13/812642313.db2.gz AEQGXOOMLWIQSN-UHFFFAOYSA-N 1 0 284.319 3.334 20 5 CGBDRO C[NH2+]C1CN(Cc2c3ccccc3cc3ccccc32)C1 ZINC001204706343 812713933 /nfs/dbraw/zinc/71/39/33/812713933.db2.gz JNDZWOHDLKLCTF-UHFFFAOYSA-N 1 0 276.383 3.397 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001217956672 816017048 /nfs/dbraw/zinc/01/70/48/816017048.db2.gz XOPWLPRRXLYMSI-BJHJDKERSA-N 1 0 295.338 3.075 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001217986442 816033933 /nfs/dbraw/zinc/03/39/33/816033933.db2.gz LPVMKBRFIAALLZ-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001217986447 816033963 /nfs/dbraw/zinc/03/39/63/816033963.db2.gz LPVMKBRFIAALLZ-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC001218004284 816046221 /nfs/dbraw/zinc/04/62/21/816046221.db2.gz DPXDJSGZNSAUBU-VIFPVBQESA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H](Oc1ccc(Cl)c([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218004316 816047067 /nfs/dbraw/zinc/04/70/67/816047067.db2.gz FAQZCJQZUKIRTF-VIFPVBQESA-N 1 0 284.743 3.015 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3CC[NH2+]C3)cc2c1 ZINC001218038641 816069199 /nfs/dbraw/zinc/06/91/99/816069199.db2.gz PGRLVARKTGHPOT-CQSZACIVSA-N 1 0 264.328 3.129 20 5 CGBDRO C[C@@H]1C[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218046213 816072117 /nfs/dbraw/zinc/07/21/17/816072117.db2.gz OMXGTOLJDUELBF-RQJHMYQMSA-N 1 0 291.134 3.031 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)ccc1Cl ZINC001218097911 816097541 /nfs/dbraw/zinc/09/75/41/816097541.db2.gz USHACTVQMMOCFK-KBPBESRZSA-N 1 0 296.754 3.159 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1[C@@H]2C[C@H]1C[NH2+]C2 ZINC001218149672 816114882 /nfs/dbraw/zinc/11/48/82/816114882.db2.gz SJZLGRISNOTLOI-UOIKSKOESA-N 1 0 290.366 3.375 20 5 CGBDRO C[C@@H](Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1)C1C[NH2+]C1 ZINC001218198598 816124813 /nfs/dbraw/zinc/12/48/13/816124813.db2.gz NRURBHFQPBYGBT-GFCCVEGCSA-N 1 0 298.342 3.249 20 5 CGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001218313951 816163568 /nfs/dbraw/zinc/16/35/68/816163568.db2.gz FKTKUTORBOGDGT-LBPRGKRZSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H](Oc1ccc2c(c1)CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001218318634 816165287 /nfs/dbraw/zinc/16/52/87/816165287.db2.gz XQYOEHHDCDLESA-LBPRGKRZSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@@H](Oc1ccc2c(c1)CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001218318631 816165365 /nfs/dbraw/zinc/16/53/65/816165365.db2.gz XQYOEHHDCDLESA-GFCCVEGCSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218385810 816185387 /nfs/dbraw/zinc/18/53/87/816185387.db2.gz LVIWMFHSPPBUKD-MEDUHNTESA-N 1 0 264.328 3.127 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001218386713 816186247 /nfs/dbraw/zinc/18/62/47/816186247.db2.gz WDGRBFSQJDDHQW-MEDUHNTESA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001218393196 816188591 /nfs/dbraw/zinc/18/85/91/816188591.db2.gz SWLZHMXIIGMXIL-MEDUHNTESA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218421070 816207239 /nfs/dbraw/zinc/20/72/39/816207239.db2.gz VPNSIIKZTYBYAF-SMDDNHRTSA-N 1 0 292.379 3.269 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001218473844 816232115 /nfs/dbraw/zinc/23/21/15/816232115.db2.gz DVQFXBINHVVEGU-SNVBAGLBSA-N 1 0 298.770 3.466 20 5 CGBDRO CC1(C)C[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218477449 816233461 /nfs/dbraw/zinc/23/34/61/816233461.db2.gz POPCCQHVUCCYQI-VIFPVBQESA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218485474 816240915 /nfs/dbraw/zinc/24/09/15/816240915.db2.gz CHAZGUKSCJXSIY-INIZCTEOSA-N 1 0 298.342 3.435 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218487437 816242336 /nfs/dbraw/zinc/24/23/36/816242336.db2.gz IWJUYTRJRWDPKJ-QGZVFWFLSA-N 1 0 298.342 3.435 20 5 CGBDRO Cc1cc(O[C@@H]2C[NH2+]Cc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC001218491873 816244748 /nfs/dbraw/zinc/24/47/48/816244748.db2.gz XHIJICQDQBRABZ-MRXNPFEDSA-N 1 0 298.342 3.435 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1COC1CC[NH+](C2CC2)CC1 ZINC001223536576 816646783 /nfs/dbraw/zinc/64/67/83/816646783.db2.gz XQBJIVWNIRPYNL-UHFFFAOYSA-N 1 0 290.363 3.047 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCC[C@H](C)c1ccccc1 ZINC001224995816 816925244 /nfs/dbraw/zinc/92/52/44/816925244.db2.gz XILUFWXXZGMZOO-LSDHHAIUSA-N 1 0 250.406 3.292 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)cc(Cl)c1 ZINC001225233773 816972327 /nfs/dbraw/zinc/97/23/27/816972327.db2.gz OGSFGKZKJUUTGE-SECBINFHSA-N 1 0 263.188 3.467 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(C(C)(C)C)c1 ZINC001225242108 816976251 /nfs/dbraw/zinc/97/62/51/816976251.db2.gz INKKBYCICIVPLA-CYBMUJFWSA-N 1 0 250.406 3.458 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001225710715 817151935 /nfs/dbraw/zinc/15/19/35/817151935.db2.gz OCRUDPJUXQIDJG-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO C[NH+]1CCC(Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC1 ZINC001226446986 817359679 /nfs/dbraw/zinc/35/96/79/817359679.db2.gz RFIGONGIKKCXSH-UHFFFAOYSA-N 1 0 292.379 3.365 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226810335 817472189 /nfs/dbraw/zinc/47/21/89/817472189.db2.gz MTHWJZAJXXDRFU-GFCCVEGCSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1c(Br)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001226872276 817489851 /nfs/dbraw/zinc/48/98/51/817489851.db2.gz AZYBVJUXYFGDNR-JTQLQIEISA-N 1 0 287.221 3.231 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226990716 817527674 /nfs/dbraw/zinc/52/76/74/817527674.db2.gz XTXRQCQRQNVNIO-JTQLQIEISA-N 1 0 284.743 3.030 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1csc(C(F)(F)F)c1 ZINC001227324253 817625933 /nfs/dbraw/zinc/62/59/33/817625933.db2.gz NBEGBVBPLUNNFB-QMMMGPOBSA-N 1 0 268.324 3.240 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001228572385 817942298 /nfs/dbraw/zinc/94/22/98/817942298.db2.gz ZYPSTYSUUIEUFN-CQSZACIVSA-N 1 0 278.352 3.073 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)nc2c(F)cccc12 ZINC001228693271 817975017 /nfs/dbraw/zinc/97/50/17/817975017.db2.gz JKQGEPSXVCWCJZ-GFCCVEGCSA-N 1 0 277.363 3.156 20 5 CGBDRO COC[C@H]1CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232225282 818284858 /nfs/dbraw/zinc/28/48/58/818284858.db2.gz ABYIIGTYKZPXDO-MRXNPFEDSA-N 1 0 293.370 3.004 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(Cl)c1F ZINC001234315295 818835692 /nfs/dbraw/zinc/83/56/92/818835692.db2.gz PEBFMLSBEXZRTJ-QMMMGPOBSA-N 1 0 264.723 3.092 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1CC[NH2+]C1 ZINC001236850566 819619834 /nfs/dbraw/zinc/61/98/34/819619834.db2.gz NYDKVGRFGMUCGS-UHFFFAOYSA-N 1 0 262.356 3.356 20 5 CGBDRO [NH3+]Cc1cncc(-c2ncnc3cc4ccccc4cc32)c1 ZINC001239791094 820607193 /nfs/dbraw/zinc/60/71/93/820607193.db2.gz IOGCKNKJLAPRHU-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO c1ccc2cc3c(cc2c1)ncnc3C1=CC[NH2+]CC1 ZINC001240466344 821075256 /nfs/dbraw/zinc/07/52/56/821075256.db2.gz DKAFHPUFDYFDOV-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO c1cnc2c(c1)ccc1cc(C3=CCC[NH2+]C3)cnc12 ZINC001240669664 821230835 /nfs/dbraw/zinc/23/08/35/821230835.db2.gz PWBDWJYJAZCZHG-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO CC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001345043790 936798566 /nfs/dbraw/zinc/79/85/66/936798566.db2.gz UYAOWOUNNRNVGG-UHFFFAOYSA-N 1 0 293.367 3.044 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230917172 928074918 /nfs/dbraw/zinc/07/49/18/928074918.db2.gz HEVODFYUNLBMAH-SNVBAGLBSA-N 1 0 284.743 3.111 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC001459993846 928732627 /nfs/dbraw/zinc/73/26/27/928732627.db2.gz VSFIEXADKISIPH-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC001459993966 928732645 /nfs/dbraw/zinc/73/26/45/928732645.db2.gz VSFIEXADKISIPH-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO CCOc1cc(C[NH+]2CCC(C)(F)CC2)ccc1[N+](=O)[O-] ZINC001307970659 928809486 /nfs/dbraw/zinc/80/94/86/928809486.db2.gz LTUSXMGIOGXDLZ-UHFFFAOYSA-N 1 0 296.342 3.318 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001459921601 937506751 /nfs/dbraw/zinc/50/67/51/937506751.db2.gz GTPGPYXWYRPEAH-GFCCVEGCSA-N 1 0 292.379 3.471 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CC1(C)C ZINC001460511944 937533158 /nfs/dbraw/zinc/53/31/58/937533158.db2.gz ATXCUGHHEIKCOA-LBPRGKRZSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1F ZINC001229105394 932096571 /nfs/dbraw/zinc/09/65/71/932096571.db2.gz UCXGSSBXTFNDDJ-VIFPVBQESA-N 1 0 280.285 3.318 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229378854 932141889 /nfs/dbraw/zinc/14/18/89/932141889.db2.gz AVQNGMBUBHKUSY-LBPRGKRZSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc(OC2CC[NH+](C3CC3)CC2)cc(C)c1[N+](=O)[O-] ZINC001229468202 932156316 /nfs/dbraw/zinc/15/63/16/932156316.db2.gz CNYFWPDVXKTKKL-UHFFFAOYSA-N 1 0 290.363 3.217 20 5 CGBDRO CCCCc1ccc(O)cc1O[C@H](C)C[N+](C)(C)C ZINC001229573865 932174792 /nfs/dbraw/zinc/17/47/92/932174792.db2.gz ZBSDOLOGPCSRQG-CYBMUJFWSA-O 1 0 266.405 3.208 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC1CC[NH+](C2CC2)CC1 ZINC001230723249 932614480 /nfs/dbraw/zinc/61/44/80/932614480.db2.gz HBIKQANTNCDOKB-UHFFFAOYSA-N 1 0 290.363 3.217 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(-c2ccccc2)n1 ZINC001230943870 932646821 /nfs/dbraw/zinc/64/68/21/932646821.db2.gz OSKPFLQLDXHFQM-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2ccsc2)cc1 ZINC001462665775 937657683 /nfs/dbraw/zinc/65/76/83/937657683.db2.gz JTZKHRLXLXGUDM-UHFFFAOYSA-N 1 0 290.388 3.421 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001308891015 933197102 /nfs/dbraw/zinc/19/71/02/933197102.db2.gz KUMDLWUBBOAEBN-UHFFFAOYSA-N 1 0 294.395 3.195 20 5 CGBDRO C[C@H]1CCN(Cc2cc([N+](=O)[O-])ccc2Br)C1 ZINC001473214346 937797633 /nfs/dbraw/zinc/79/76/33/937797633.db2.gz UOMAIQZEGLKRHB-VIFPVBQESA-N 1 0 299.168 3.199 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC001329643927 935237187 /nfs/dbraw/zinc/23/71/87/935237187.db2.gz RLMPAUHKELZEHL-ATZCPNFKSA-N 1 0 252.289 3.183 20 5 CGBDRO Cc1ncc(CN[C@@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC001332275594 935455732 /nfs/dbraw/zinc/45/57/32/935455732.db2.gz AFBYJKLUNOXVKB-QMMMGPOBSA-N 1 0 295.339 3.350 20 5 CGBDRO Cc1cccnc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001333877274 936072950 /nfs/dbraw/zinc/07/29/50/936072950.db2.gz WUPRJBLHQVMPBH-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001474336666 937852389 /nfs/dbraw/zinc/85/23/89/937852389.db2.gz CFZBAUZMHWJLNN-VNHYZAJKSA-N 1 0 274.364 3.463 20 5 CGBDRO CN(CC(C)(C)C[NH+](C)C)c1cc(Cl)ccc1[N+](=O)[O-] ZINC001559297122 938224750 /nfs/dbraw/zinc/22/47/50/938224750.db2.gz RKUPBRNDRFHMQM-UHFFFAOYSA-N 1 0 299.802 3.272 20 5 CGBDRO C[N@@H+]1CCCC(C)(C)[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC001559183851 960605138 /nfs/dbraw/zinc/60/51/38/960605138.db2.gz LMBONZNNTVFSEV-CQSZACIVSA-N 1 0 295.358 3.266 20 5 CGBDRO C[C@@H](Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC001576102652 962437321 /nfs/dbraw/zinc/43/73/21/962437321.db2.gz GTQGBOFMXIKBJV-NTSWFWBYSA-N 1 0 278.139 3.049 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000338016209 214361617 /nfs/dbraw/zinc/36/16/17/214361617.db2.gz JEALYGBNHDJORH-IUODEOHRSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C ZINC000414093193 529608184 /nfs/dbraw/zinc/60/81/84/529608184.db2.gz FTPGKAAJWJWAKM-DFBGVHRSSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414287703 529615643 /nfs/dbraw/zinc/61/56/43/529615643.db2.gz UMHBLXSPXZFNHT-DSPQJCBJSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@H]([NH2+]Cc1cncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000417965413 529635900 /nfs/dbraw/zinc/63/59/00/529635900.db2.gz RMPBTFUQIVRNBN-HNNXBMFYSA-N 1 0 288.351 3.052 20 5 CGBDRO CCc1cnccc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358504848 529681519 /nfs/dbraw/zinc/68/15/19/529681519.db2.gz IXKBMEDTEKTBCW-LBPRGKRZSA-N 1 0 285.347 3.403 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCS[C@H]1C ZINC000592397042 346983779 /nfs/dbraw/zinc/98/37/79/346983779.db2.gz CDGMXTKULFWEDB-MBNYWOFBSA-N 1 0 294.420 3.400 20 5 CGBDRO C[N@H+](CCCCNc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000413349091 529883756 /nfs/dbraw/zinc/88/37/56/529883756.db2.gz QLULKZPRTMSGAV-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO CC[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488665 346993184 /nfs/dbraw/zinc/99/31/84/346993184.db2.gz KXFWETPNMLOSTP-ZENOOKHLSA-N 1 0 291.395 3.023 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000593083833 347037412 /nfs/dbraw/zinc/03/74/12/347037412.db2.gz ZDJULZQGURUFIF-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044370301 345009571 /nfs/dbraw/zinc/00/95/71/345009571.db2.gz XXAWABDSHXCQTK-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000057877938 345189955 /nfs/dbraw/zinc/18/99/55/345189955.db2.gz YNUUXBIIIPHELR-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000054152540 345129566 /nfs/dbraw/zinc/12/95/66/345129566.db2.gz SPPXJZJSINGXRA-LLVKDONJSA-N 1 0 254.355 3.421 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CCCC1 ZINC000061256046 345228021 /nfs/dbraw/zinc/22/80/21/345228021.db2.gz YHKPYMGQGFQAJO-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000064021792 345256718 /nfs/dbraw/zinc/25/67/18/345256718.db2.gz VYMFPHFOEZGSQH-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063302473 345245291 /nfs/dbraw/zinc/24/52/91/345245291.db2.gz IJTSSKSBMPABOK-CYBMUJFWSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000065586764 345274434 /nfs/dbraw/zinc/27/44/34/345274434.db2.gz FLCNWHLIDGERPD-OLZOCXBDSA-N 1 0 277.368 3.127 20 5 CGBDRO CN1CC[N@H+](Cc2ccccc2[N+](=O)[O-])Cc2ccccc21 ZINC000069090952 345372816 /nfs/dbraw/zinc/37/28/16/345372816.db2.gz ZQMZWSCQOJLRKW-UHFFFAOYSA-N 1 0 297.358 3.047 20 5 CGBDRO CC(C)CC[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000077211890 345560648 /nfs/dbraw/zinc/56/06/48/345560648.db2.gz GHEBVBAUQTUOBQ-UHFFFAOYSA-N 1 0 250.342 3.115 20 5 CGBDRO Cc1cnc(NCCC[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC000078629400 345616388 /nfs/dbraw/zinc/61/63/88/345616388.db2.gz WUCQFDMLNLFUPH-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cn1 ZINC000079926336 345658915 /nfs/dbraw/zinc/65/89/15/345658915.db2.gz MUISNFNCAGPSLX-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000090909845 345797111 /nfs/dbraw/zinc/79/71/11/345797111.db2.gz ZEFVVMGRSFQKCY-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000091097634 345803726 /nfs/dbraw/zinc/80/37/26/345803726.db2.gz WFVKMWFVBVMGAB-GFCCVEGCSA-N 1 0 298.408 3.177 20 5 CGBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000092629870 345848316 /nfs/dbraw/zinc/84/83/16/345848316.db2.gz HWLLZEFQVXRNHH-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO C[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000093503397 345882108 /nfs/dbraw/zinc/88/21/08/345882108.db2.gz PTBWKOHEBJUOFS-ZVYZJRAXSA-N 1 0 260.337 3.196 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000140541021 346104239 /nfs/dbraw/zinc/10/42/39/346104239.db2.gz CZDRRCPGYBMPHJ-CYBMUJFWSA-N 1 0 278.352 3.224 20 5 CGBDRO CS[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000219205816 346294394 /nfs/dbraw/zinc/29/43/94/346294394.db2.gz CZUXKLDCCVRPRN-ZIAGYGMSSA-N 1 0 280.393 3.359 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000220249960 346295965 /nfs/dbraw/zinc/29/59/65/346295965.db2.gz SKPMIVGTOQXPNT-SNVBAGLBSA-N 1 0 285.775 3.390 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2cnccc21 ZINC000237937218 346347893 /nfs/dbraw/zinc/34/78/93/346347893.db2.gz WFASRIATDBXOPO-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000261482126 346403269 /nfs/dbraw/zinc/40/32/69/346403269.db2.gz WGFJPYYEJRZTGO-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@H](C)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000303486381 346444687 /nfs/dbraw/zinc/44/46/87/346444687.db2.gz RCCOTDPTNWHUGJ-ZDUSSCGKSA-N 1 0 280.368 3.342 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cc1[N+](=O)[O-] ZINC000311902920 346475523 /nfs/dbraw/zinc/47/55/23/346475523.db2.gz QCZLOAHRFICRFH-GMXVVIOVSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747078 346482261 /nfs/dbraw/zinc/48/22/61/346482261.db2.gz QNACKZAXFVCWJC-OCCSQVGLSA-N 1 0 293.342 3.081 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000324093404 346490404 /nfs/dbraw/zinc/49/04/04/346490404.db2.gz HPVLTZDPZYWQMQ-OAHLLOKOSA-N 1 0 262.353 3.427 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000388616907 346571169 /nfs/dbraw/zinc/57/11/69/346571169.db2.gz AZLHKLFUCAWSAZ-FZMZJTMJSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000593676648 347103115 /nfs/dbraw/zinc/10/31/15/347103115.db2.gz NIOJWMNWZXLHTM-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594041548 347143348 /nfs/dbraw/zinc/14/33/48/347143348.db2.gz FNIYXUMDOZTGGA-GOEBONIOSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514213 347184571 /nfs/dbraw/zinc/18/45/71/347184571.db2.gz IEKFVESYTGBTNY-WBMJQRKESA-N 1 0 297.358 3.198 20 5 CGBDRO CC([NH2+]Cc1cccc([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000594994933 347250961 /nfs/dbraw/zinc/25/09/61/347250961.db2.gz XLLPWYQBXIJOCV-UHFFFAOYSA-N 1 0 260.337 3.263 20 5 CGBDRO CO[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000594998187 347252584 /nfs/dbraw/zinc/25/25/84/347252584.db2.gz UNYMFVOGLHRSOO-CYBMUJFWSA-N 1 0 298.408 3.341 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCc1ccco1 ZINC000594998298 347252735 /nfs/dbraw/zinc/25/27/35/347252735.db2.gz VSPRPOGRSXKDFY-XVNBXDOJSA-N 1 0 286.331 3.423 20 5 CGBDRO CC[C@](C)([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000594980671 347247956 /nfs/dbraw/zinc/24/79/56/347247956.db2.gz QPJLELVHPXLPRY-HNNXBMFYSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109121 347284911 /nfs/dbraw/zinc/28/49/11/347284911.db2.gz UIXMMCSKSDGOQA-YPMHNXCESA-N 1 0 278.352 3.061 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290685 347287194 /nfs/dbraw/zinc/28/71/94/347287194.db2.gz JNCGZJGSGFJBJV-JTQLQIEISA-N 1 0 254.305 3.354 20 5 CGBDRO CCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595303943 347289059 /nfs/dbraw/zinc/28/90/59/347289059.db2.gz RGFVSECJQAIEIG-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO CC[C@@H]1CCCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595326202 347291913 /nfs/dbraw/zinc/29/19/13/347291913.db2.gz ACLYHBQDOALRFN-LLVKDONJSA-N 1 0 267.329 3.046 20 5 CGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329928 347293130 /nfs/dbraw/zinc/29/31/30/347293130.db2.gz YQAPYPFZTHIPPG-CMPLNLGQSA-N 1 0 281.356 3.292 20 5 CGBDRO CC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006128 347254431 /nfs/dbraw/zinc/25/44/31/347254431.db2.gz HSUZZNQVZPOTDW-NXEZZACHSA-N 1 0 252.314 3.053 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CSCCF)c1cccc([N+](=O)[O-])c1 ZINC000595009720 347255836 /nfs/dbraw/zinc/25/58/36/347255836.db2.gz VLJSDHJZMHJFJT-WDEREUQCSA-N 1 0 286.372 3.337 20 5 CGBDRO CC/C=C/C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595039744 347266263 /nfs/dbraw/zinc/26/62/63/347266263.db2.gz BUOIXFUORSZNJF-MVIFTORASA-N 1 0 264.325 3.220 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccoc1 ZINC000595084018 347279964 /nfs/dbraw/zinc/27/99/64/347279964.db2.gz IBCATHHPPBAFJS-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755531 347350376 /nfs/dbraw/zinc/35/03/76/347350376.db2.gz NKSWDNOJXQPQCJ-LBPRGKRZSA-N 1 0 296.342 3.175 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000595766486 347353686 /nfs/dbraw/zinc/35/36/86/347353686.db2.gz WMXCENSXJGAHFI-CYBMUJFWSA-N 1 0 270.279 3.151 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COc1ccccc1[N+](=O)[O-] ZINC000596239159 347402483 /nfs/dbraw/zinc/40/24/83/347402483.db2.gz PCICZOFORBYKBT-CYBMUJFWSA-N 1 0 278.352 3.237 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000596306952 347413912 /nfs/dbraw/zinc/41/39/12/347413912.db2.gz JXTDQHHNGOUZFJ-NSHDSACASA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cc(NC[C@@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])s1 ZINC000596055102 347377287 /nfs/dbraw/zinc/37/72/87/347377287.db2.gz SAUFEJHNIYBOLX-NSHDSACASA-N 1 0 295.364 3.273 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000596309286 347414713 /nfs/dbraw/zinc/41/47/13/347414713.db2.gz XOBCWZOLCKNDOH-CYBMUJFWSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1cccc(OCc2cccc3c2CC[NH2+]C3)c1[N+](=O)[O-] ZINC000596071625 347379872 /nfs/dbraw/zinc/37/98/72/347379872.db2.gz OZOXNYFDAKORKF-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596083932 347381274 /nfs/dbraw/zinc/38/12/74/347381274.db2.gz ZBWIPYQIIKIIGX-MNOVXSKESA-N 1 0 281.381 3.003 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC1 ZINC000598962015 347701033 /nfs/dbraw/zinc/70/10/33/347701033.db2.gz QRFQYQYXQDOKOJ-CQDKDKBSSA-N 1 0 274.364 3.162 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000599059600 347711966 /nfs/dbraw/zinc/71/19/66/347711966.db2.gz ZNZDMSCHKBDWBL-KBPBESRZSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@H]1CCCOC1 ZINC000599056646 347712306 /nfs/dbraw/zinc/71/23/06/347712306.db2.gz LILNXCPOEOAIFV-UONOGXRCSA-N 1 0 292.379 3.371 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000599071915 347714592 /nfs/dbraw/zinc/71/45/92/347714592.db2.gz BQYFKWWCSMBMSJ-KFWWJZLASA-N 1 0 278.352 3.203 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599074609 347714944 /nfs/dbraw/zinc/71/49/44/347714944.db2.gz XYBJLSHGPDZTHK-DFBGVHRSSA-N 1 0 278.352 3.121 20 5 CGBDRO C/C=C/C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000599080518 347714954 /nfs/dbraw/zinc/71/49/54/347714954.db2.gz HBWOUBGTKWREJT-MALLOTDXSA-N 1 0 264.325 3.220 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000599074595 347715124 /nfs/dbraw/zinc/71/51/24/347715124.db2.gz XBSORASFNOKCGE-GLQYFDAESA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000599673673 347763939 /nfs/dbraw/zinc/76/39/39/347763939.db2.gz ULVDKQCWCMYPLO-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599673590 347764021 /nfs/dbraw/zinc/76/40/21/347764021.db2.gz QRVLMEUYSAMOGJ-CYBMUJFWSA-N 1 0 294.395 3.447 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000599139833 347720477 /nfs/dbraw/zinc/72/04/77/347720477.db2.gz QTAOHRVNAKUWNM-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@H](C)C1(F)F ZINC000599513282 347749139 /nfs/dbraw/zinc/74/91/39/347749139.db2.gz RRHYSSBNBCWRAK-QWRGUYRKSA-N 1 0 284.306 3.318 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc(C[C@@H]3CCCC[NH2+]3)c2)cn1 ZINC000600788401 347835925 /nfs/dbraw/zinc/83/59/25/347835925.db2.gz JHVONLRIQBDBLI-INIZCTEOSA-N 1 0 297.358 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc(C[NH2+]CC3CC3)c2)cn1 ZINC000600789084 347836372 /nfs/dbraw/zinc/83/63/72/347836372.db2.gz QHSZOBLNSBGQRS-UHFFFAOYSA-N 1 0 283.331 3.156 20 5 CGBDRO Cc1ccc(-c2cccc([C@@H]3COCC[NH2+]3)c2)cc1[N+](=O)[O-] ZINC000600791585 347837505 /nfs/dbraw/zinc/83/75/05/347837505.db2.gz SMLKBPUMDWRQAZ-INIZCTEOSA-N 1 0 298.342 3.231 20 5 CGBDRO COc1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601149063 347874991 /nfs/dbraw/zinc/87/49/91/347874991.db2.gz IEPDJQXOFIGLRX-WFASDCNBSA-N 1 0 276.336 3.026 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000601299932 347889746 /nfs/dbraw/zinc/88/97/46/347889746.db2.gz WCTAFRCCTAQCDT-PQFRYHKHSA-N 1 0 278.352 3.120 20 5 CGBDRO [NH3+]C[C@H]1CCN(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000601962626 347930013 /nfs/dbraw/zinc/93/00/13/347930013.db2.gz GZVGPRPLTQJMRA-CQSZACIVSA-N 1 0 297.358 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3CCCCC3)nc2c1 ZINC000602504617 347971451 /nfs/dbraw/zinc/97/14/51/347971451.db2.gz IJSWDZMUGBKXCJ-UHFFFAOYSA-N 1 0 275.308 3.158 20 5 CGBDRO COc1ccc(C[NH+]2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC000602733199 348021211 /nfs/dbraw/zinc/02/12/11/348021211.db2.gz LFUDNPNBAXECJM-UHFFFAOYSA-N 1 0 296.342 3.175 20 5 CGBDRO CCC[C@@H](CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602544093 347979499 /nfs/dbraw/zinc/97/94/99/347979499.db2.gz JCGZXLMVNCYLHM-SNVBAGLBSA-N 1 0 277.324 3.404 20 5 CGBDRO CC(C)[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602555192 347981355 /nfs/dbraw/zinc/98/13/55/347981355.db2.gz DNKCHQBFSCDSKC-SNVBAGLBSA-N 1 0 277.324 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)cc1 ZINC000602855837 348037702 /nfs/dbraw/zinc/03/77/02/348037702.db2.gz PRCJVSAYHSMLSO-MRXNPFEDSA-N 1 0 297.358 3.369 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000604435527 348120190 /nfs/dbraw/zinc/12/01/90/348120190.db2.gz NSLLKCQTUYJVPI-OAHLLOKOSA-N 1 0 262.353 3.258 20 5 CGBDRO CCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604473300 348120929 /nfs/dbraw/zinc/12/09/29/348120929.db2.gz GNRZVSGMCSAYNQ-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC1(C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)CO1 ZINC000609671990 348350791 /nfs/dbraw/zinc/35/07/91/348350791.db2.gz SVKLCGSLCJLBAV-UHFFFAOYSA-N 1 0 292.379 3.027 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000608909551 348333551 /nfs/dbraw/zinc/33/35/51/348333551.db2.gz WJYVPPHZYLJIQH-UHFFFAOYSA-N 1 0 299.265 3.058 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@H](C(C)C)C1 ZINC000273357885 192124507 /nfs/dbraw/zinc/12/45/07/192124507.db2.gz CNOWCMVPDJJDPZ-ZBFHGGJFSA-N 1 0 292.379 3.196 20 5 CGBDRO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000610581131 348391245 /nfs/dbraw/zinc/39/12/45/348391245.db2.gz PASVSOAVDSITIR-UHFFFAOYSA-N 1 0 289.335 3.356 20 5 CGBDRO O=[N+]([O-])c1ccsc1N1CC[NH+](C2CCCCC2)CC1 ZINC000611413631 348449836 /nfs/dbraw/zinc/44/98/36/348449836.db2.gz JBJQBHNQXWPRRA-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000611498447 348456262 /nfs/dbraw/zinc/45/62/62/348456262.db2.gz ZKZGBNAOKKVUOL-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516481 348458164 /nfs/dbraw/zinc/45/81/64/348458164.db2.gz UKASTXCLTOTHLC-UKRRQHHQSA-N 1 0 292.379 3.465 20 5 CGBDRO C[C@@H](CCNc1sccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000612113687 348496061 /nfs/dbraw/zinc/49/60/61/348496061.db2.gz YOEUKAICXXJCID-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000612580793 348529301 /nfs/dbraw/zinc/52/93/01/348529301.db2.gz STHPMXVRCYDEDU-LLVKDONJSA-N 1 0 270.279 3.181 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCCO1 ZINC000615722596 348761835 /nfs/dbraw/zinc/76/18/35/348761835.db2.gz QCFFWZJRKLOICY-IVOILVROSA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC2(CCO)CCC2)cccc1[N+](=O)[O-] ZINC000358306293 233103764 /nfs/dbraw/zinc/10/37/64/233103764.db2.gz UKSWORFQSOHDES-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@@H]1F ZINC000339588459 215259743 /nfs/dbraw/zinc/25/97/43/215259743.db2.gz YLENERSCSWZICV-DRKGASSASA-N 1 0 264.300 3.088 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619722635 349279071 /nfs/dbraw/zinc/27/90/71/349279071.db2.gz MKKCGNYAIWLHMU-KOLCDFICSA-N 1 0 275.308 3.014 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCC2CC2)C2CC2)c1 ZINC000359897174 233390072 /nfs/dbraw/zinc/39/00/72/233390072.db2.gz IQNSPPWGPFWUPP-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO Cc1cc(NCCC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000359836138 233381629 /nfs/dbraw/zinc/38/16/29/233381629.db2.gz GHUKJBPLJYTXNN-UHFFFAOYSA-N 1 0 295.358 3.330 20 5 CGBDRO CC[C@H]([NH2+]CCCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000122747556 187049192 /nfs/dbraw/zinc/04/91/92/187049192.db2.gz PPAPDBRPAAZWEE-HNNXBMFYSA-N 1 0 280.368 3.452 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123678049 187104424 /nfs/dbraw/zinc/10/44/24/187104424.db2.gz SPZKMEGBZWBDOI-GJZGRUSLSA-N 1 0 280.368 3.043 20 5 CGBDRO COCC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000364156824 234024107 /nfs/dbraw/zinc/02/41/07/234024107.db2.gz DKBPCULZYGGPCR-CQSZACIVSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH2+]C2CCCCCC2)n1 ZINC000133565652 187693288 /nfs/dbraw/zinc/69/32/88/187693288.db2.gz AIKVJVXJFSXMAX-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO COC[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000368665008 234330278 /nfs/dbraw/zinc/33/02/78/234330278.db2.gz AAPDDGCDPVNFFT-CQSZACIVSA-N 1 0 292.379 3.152 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CC4)CC3)nc2c1 ZINC000370316157 234428022 /nfs/dbraw/zinc/42/80/22/234428022.db2.gz MLAQLTSICIDGQS-UHFFFAOYSA-N 1 0 287.319 3.112 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCc2nccs2)cccc1[N+](=O)[O-] ZINC000127911902 138391206 /nfs/dbraw/zinc/39/12/06/138391206.db2.gz CBCZFHFNQFFCMZ-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H](CCCCO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294927460 199255129 /nfs/dbraw/zinc/25/51/29/199255129.db2.gz BJSSYLNPOQFIMW-ZIAGYGMSSA-N 1 0 294.395 3.057 20 5 CGBDRO COC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000297311720 200144869 /nfs/dbraw/zinc/14/48/69/200144869.db2.gz MXKUQXMLJBYFAQ-LBPRGKRZSA-N 1 0 278.352 3.205 20 5 CGBDRO CCC[C@@H]([NH2+]CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168887098 283561779 /nfs/dbraw/zinc/56/17/79/283561779.db2.gz JACMNWRRCAJCNS-OAHLLOKOSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000178062776 189088824 /nfs/dbraw/zinc/08/88/24/189088824.db2.gz OMQODYLKIWLXBY-RAEVTNRLSA-N 1 0 290.363 3.203 20 5 CGBDRO CC(C)OCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000180463533 189257242 /nfs/dbraw/zinc/25/72/42/189257242.db2.gz BKIYKIPIPWAGML-ZDUSSCGKSA-N 1 0 280.368 3.451 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000342279401 216289516 /nfs/dbraw/zinc/28/95/16/216289516.db2.gz DYIXTYSVPHCEDP-UHFFFAOYSA-N 1 0 298.358 3.276 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000301573472 201075370 /nfs/dbraw/zinc/07/53/70/201075370.db2.gz PITVCJISFRWOKY-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[C@H](CNc1cc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301577933 201077612 /nfs/dbraw/zinc/07/76/12/201077612.db2.gz RLLMADKYZXANKK-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301787769 201198051 /nfs/dbraw/zinc/19/80/51/201198051.db2.gz MQKGHKSHCVPONX-VIFPVBQESA-N 1 0 287.310 3.015 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000302031656 201307861 /nfs/dbraw/zinc/30/78/61/201307861.db2.gz SHOWZJOTNNTQFM-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451902171 240380595 /nfs/dbraw/zinc/38/05/95/240380595.db2.gz NWPMWGVOBWNEKF-BBRMVZONSA-N 1 0 290.363 3.158 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000453310366 240836632 /nfs/dbraw/zinc/83/66/32/240836632.db2.gz ZANJMVJJNKCPGP-WFASDCNBSA-N 1 0 280.368 3.369 20 5 CGBDRO C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000453315203 240840069 /nfs/dbraw/zinc/84/00/69/240840069.db2.gz VARXWENDISAPCV-GFCCVEGCSA-N 1 0 296.342 3.012 20 5 CGBDRO COc1cc(C[N@H+](C)C2CC(C)(C)C2)c([N+](=O)[O-])cc1F ZINC000459739517 242200794 /nfs/dbraw/zinc/20/07/94/242200794.db2.gz KQHMYFLYMAICFQ-UHFFFAOYSA-N 1 0 296.342 3.363 20 5 CGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)(C)C ZINC000462835324 242368175 /nfs/dbraw/zinc/36/81/75/242368175.db2.gz VLYZUQIMHLEKAF-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO Cc1ccc2c(c1)CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C2 ZINC000483663275 243294564 /nfs/dbraw/zinc/29/45/64/243294564.db2.gz RGWNWSGROGWPEQ-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO Cc1ccc([C@H](C)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000020087897 368798996 /nfs/dbraw/zinc/79/89/96/368798996.db2.gz VWLCJHBXWLITDL-ZDUSSCGKSA-N 1 0 293.411 3.142 20 5 CGBDRO C[C@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000033394647 368963673 /nfs/dbraw/zinc/96/36/73/368963673.db2.gz JEORQQLXFZZLLJ-UJZCVKTISA-N 1 0 260.337 3.340 20 5 CGBDRO CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000040999669 369167355 /nfs/dbraw/zinc/16/73/55/369167355.db2.gz YIZABNCLHPOTFE-UHFFFAOYSA-N 1 0 277.349 3.218 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC[NH+]2CCCCC2)c(Cl)c1 ZINC000041571853 369192151 /nfs/dbraw/zinc/19/21/51/369192151.db2.gz QFFCRSVOLJOVMR-UHFFFAOYSA-N 1 0 283.759 3.146 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045657110 369282494 /nfs/dbraw/zinc/28/24/94/369282494.db2.gz PHNOKYHSRKJSDZ-WFASDCNBSA-N 1 0 280.368 3.308 20 5 CGBDRO C[C@@H](CC[NH+](C)C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000050352209 369437283 /nfs/dbraw/zinc/43/72/83/369437283.db2.gz UOFPDVLQAXKTAG-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000062050728 369614984 /nfs/dbraw/zinc/61/49/84/369614984.db2.gz KPIZENDKJGSSNR-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343929707 216981006 /nfs/dbraw/zinc/98/10/06/216981006.db2.gz LFISVBPPHKHDGP-GXTWGEPZSA-N 1 0 298.342 3.422 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000512203353 245025273 /nfs/dbraw/zinc/02/52/73/245025273.db2.gz OCSXCOHQOPTFJA-UHIISALHSA-N 1 0 280.393 3.305 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000512209137 245025964 /nfs/dbraw/zinc/02/59/64/245025964.db2.gz MVOUUFBALVDSIH-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000343988380 217006299 /nfs/dbraw/zinc/00/62/99/217006299.db2.gz WSUMCACRTOLFRF-CQSZACIVSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCOCC(C)C)cc1[N+](=O)[O-] ZINC000129804004 371001132 /nfs/dbraw/zinc/00/11/32/371001132.db2.gz NKKMPPISPUKEJU-ZDUSSCGKSA-N 1 0 280.368 3.226 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131048926 371079909 /nfs/dbraw/zinc/07/99/09/371079909.db2.gz IUKYHCMTPVARMT-WBMJQRKESA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000132147046 371154133 /nfs/dbraw/zinc/15/41/33/371154133.db2.gz CBOGCTRYLCZBCG-LLVKDONJSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000132477708 371177620 /nfs/dbraw/zinc/17/76/20/371177620.db2.gz AAZPVXXDGROXMR-MNOVXSKESA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CCOCC1 ZINC000134481603 371341736 /nfs/dbraw/zinc/34/17/36/371341736.db2.gz AYPKHJMCTPQHPC-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421856302 371679381 /nfs/dbraw/zinc/67/93/81/371679381.db2.gz NHQNXSABBYBORX-ZDUSSCGKSA-N 1 0 292.379 3.249 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H](CC)OC)cc1[N+](=O)[O-] ZINC000290093432 371901021 /nfs/dbraw/zinc/90/10/21/371901021.db2.gz HNJBKROJRZDSOD-AAEUAGOBSA-N 1 0 296.367 3.069 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290119007 371910319 /nfs/dbraw/zinc/91/03/19/371910319.db2.gz JEDCGOQOSGUXLY-HZPDHXFCSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1[N+](=O)[O-] ZINC000290492842 372000346 /nfs/dbraw/zinc/00/03/46/372000346.db2.gz OSFFPANWIMHEIZ-BPQIPLTHSA-N 1 0 294.354 3.331 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000344221058 217104707 /nfs/dbraw/zinc/10/47/07/217104707.db2.gz DCGJWFNQELODOB-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329215 372161451 /nfs/dbraw/zinc/16/14/51/372161451.db2.gz VPEPLJWRIRLBQT-RYUDHWBXSA-N 1 0 266.341 3.013 20 5 CGBDRO CC(C)CCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000429055970 372311172 /nfs/dbraw/zinc/31/11/72/372311172.db2.gz XXSUWGBUJOPLIC-UHFFFAOYSA-N 1 0 262.353 3.389 20 5 CGBDRO Cc1sccc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000293633976 372431816 /nfs/dbraw/zinc/43/18/16/372431816.db2.gz RHMYBWFBQFIDMI-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1CF ZINC000293889691 372513047 /nfs/dbraw/zinc/51/30/47/372513047.db2.gz DPVZUVIVWOPDOT-YIALFULDSA-N 1 0 264.300 3.042 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000295861636 372939718 /nfs/dbraw/zinc/93/97/18/372939718.db2.gz BOZMLUUVKWRIMU-BXUZGUMPSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000172861260 373051083 /nfs/dbraw/zinc/05/10/83/373051083.db2.gz BHBJALOQHOALAZ-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nccs1 ZINC000344789377 217313067 /nfs/dbraw/zinc/31/30/67/217313067.db2.gz GXVVCSLPSGXHJJ-YRNVUSSQSA-N 1 0 289.360 3.244 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173365052 373130876 /nfs/dbraw/zinc/13/08/76/373130876.db2.gz PNSZVBCNUNHQHU-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CCOC1 ZINC000344898198 217349499 /nfs/dbraw/zinc/34/94/99/217349499.db2.gz ZXSBQRUGHBDFBM-WDBUWWRISA-N 1 0 290.363 3.014 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446728742 373347542 /nfs/dbraw/zinc/34/75/42/373347542.db2.gz POXOPOXQBHPXSW-LLVKDONJSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000298759164 373399609 /nfs/dbraw/zinc/39/96/09/373399609.db2.gz KAJMUAZYSYJJOS-HNNXBMFYSA-N 1 0 271.320 3.260 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCCCO ZINC000449432539 373711853 /nfs/dbraw/zinc/71/18/53/373711853.db2.gz HZWVGJDMYZMPNJ-ZVHGMHCTSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449742718 373874254 /nfs/dbraw/zinc/87/42/54/373874254.db2.gz QOYOAKRUFSRNSU-KJCWAXEUSA-N 1 0 272.348 3.244 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076434 374226509 /nfs/dbraw/zinc/22/65/09/374226509.db2.gz DZBNUHSBNXDWSB-KBPBESRZSA-N 1 0 292.379 3.404 20 5 CGBDRO C[N@H+](CCNc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000312219601 374271786 /nfs/dbraw/zinc/27/17/86/374271786.db2.gz DKUROLQRERDOLW-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NCC[NH+]1CCCCCC1 ZINC000312232210 374274015 /nfs/dbraw/zinc/27/40/15/374274015.db2.gz HVSBCWZXZSUYEA-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000453367761 374453601 /nfs/dbraw/zinc/45/36/01/374453601.db2.gz OXOGDEQUVPLMNL-XEGUGMAKSA-N 1 0 260.337 3.292 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453429266 374475210 /nfs/dbraw/zinc/47/52/10/374475210.db2.gz QHJMOHFLDUKZME-STQMWFEESA-N 1 0 292.379 3.451 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000331184528 374512521 /nfs/dbraw/zinc/51/25/21/374512521.db2.gz SKRRTOZQKZECRZ-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)O[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000185239619 374618504 /nfs/dbraw/zinc/61/85/04/374618504.db2.gz ZXOJRKFJVMHSDT-GJZGRUSLSA-N 1 0 292.379 3.277 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000464813159 374903610 /nfs/dbraw/zinc/90/36/10/374903610.db2.gz HMJNKRSLMYTGGE-QWHCGFSZSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000188578898 375236543 /nfs/dbraw/zinc/23/65/43/375236543.db2.gz FGCMVIVAPCTWGH-OCCSQVGLSA-N 1 0 276.336 3.247 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000188578918 375237050 /nfs/dbraw/zinc/23/70/50/375237050.db2.gz FGCMVIVAPCTWGH-JSGCOSHPSA-N 1 0 276.336 3.247 20 5 CGBDRO C[C@@H]([NH2+]C/C=C/c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000487553649 375253573 /nfs/dbraw/zinc/25/35/73/375253573.db2.gz RJEMFHDOVPPNJQ-MUBLQREKSA-N 1 0 283.331 3.354 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]1C ZINC000487976524 375290279 /nfs/dbraw/zinc/29/02/79/375290279.db2.gz ULRNGSUXNUEIGS-DGCLKSJQSA-N 1 0 298.408 3.293 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(C)C ZINC000507187507 375684475 /nfs/dbraw/zinc/68/44/75/375684475.db2.gz KPPUADLIPHGFTJ-GFCCVEGCSA-N 1 0 280.368 3.470 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000193698723 375912289 /nfs/dbraw/zinc/91/22/89/375912289.db2.gz KPPDXQDSHIMFCS-UHFFFAOYSA-N 1 0 293.323 3.268 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336790581 375939534 /nfs/dbraw/zinc/93/95/34/375939534.db2.gz LTEVQJYQLJVILO-GFCCVEGCSA-N 1 0 252.289 3.012 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000538936689 376278512 /nfs/dbraw/zinc/27/85/12/376278512.db2.gz IUMVJVSPKBNXIG-HIFRSBDPSA-N 1 0 291.395 3.212 20 5 CGBDRO CCC[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227887709 376417147 /nfs/dbraw/zinc/41/71/47/376417147.db2.gz NHQJCBLVKAGBKV-UHFFFAOYSA-N 1 0 299.321 3.159 20 5 CGBDRO CC[N@H+](C)CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000226741590 376371781 /nfs/dbraw/zinc/37/17/81/376371781.db2.gz RVRPNDVUIVMUPE-UHFFFAOYSA-N 1 0 292.166 3.265 20 5 CGBDRO C[C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000228842343 376450941 /nfs/dbraw/zinc/45/09/41/376450941.db2.gz MISYLJXQCUTPBV-SSDOTTSWSA-N 1 0 292.166 3.264 20 5 CGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230413351 376517339 /nfs/dbraw/zinc/51/73/39/376517339.db2.gz WYERAAXUHXHEBZ-UWVGGRQHSA-N 1 0 254.355 3.182 20 5 CGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230413345 376517618 /nfs/dbraw/zinc/51/76/18/376517618.db2.gz WYERAAXUHXHEBZ-VHSXEESVSA-N 1 0 254.355 3.182 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000231690251 376566048 /nfs/dbraw/zinc/56/60/48/376566048.db2.gz ANLGJZXFLZRHRQ-FPMFFAJLSA-N 1 0 278.352 3.121 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000231884308 376574636 /nfs/dbraw/zinc/57/46/36/376574636.db2.gz NEGOCLUIIJHTEG-GJZGRUSLSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2cncs2)cccc1[N+](=O)[O-] ZINC000231884364 376575868 /nfs/dbraw/zinc/57/58/68/376575868.db2.gz HJFDMZHVJPRQAY-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000544782216 376760810 /nfs/dbraw/zinc/76/08/10/376760810.db2.gz AZUWCXLBCBZSOV-LBPRGKRZSA-N 1 0 262.353 3.463 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000237933365 376765492 /nfs/dbraw/zinc/76/54/92/376765492.db2.gz KULHHMAPUSFPKU-MRXNPFEDSA-N 1 0 297.358 3.281 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](CC3CC3)C2)c1 ZINC000339674026 376802408 /nfs/dbraw/zinc/80/24/08/376802408.db2.gz JKYZUCPUDQVLMZ-CQSZACIVSA-N 1 0 260.337 3.217 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339680873 376805781 /nfs/dbraw/zinc/80/57/81/376805781.db2.gz YGUZGJJXZYVKGU-CYBMUJFWSA-N 1 0 260.337 3.217 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H]2C(F)F)cc1[N+](=O)[O-] ZINC000558131545 376976141 /nfs/dbraw/zinc/97/61/41/376976141.db2.gz HFMGYUWFIAUOGK-RYUDHWBXSA-N 1 0 284.306 3.461 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000340247580 376963468 /nfs/dbraw/zinc/96/34/68/376963468.db2.gz PTPHHQJREBRGIB-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccc3[nH]cnc3c2)cccc1[N+](=O)[O-] ZINC000558761851 377042160 /nfs/dbraw/zinc/04/21/60/377042160.db2.gz GFHJBDWCDWVYAH-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c1 ZINC000247517772 377217150 /nfs/dbraw/zinc/21/71/50/377217150.db2.gz NCVXCNRLYUKRMF-DZGCQCFKSA-N 1 0 260.337 3.359 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000341125307 377409071 /nfs/dbraw/zinc/40/90/71/377409071.db2.gz QCAHZOBFYRKSGX-CYBMUJFWSA-N 1 0 294.399 3.139 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000249136228 377470077 /nfs/dbraw/zinc/47/00/77/377470077.db2.gz YSFDPPYNTUSLCP-NWDGAFQWSA-N 1 0 280.393 3.341 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341996162 377625697 /nfs/dbraw/zinc/62/56/97/377625697.db2.gz VNJDSRGCSRILFG-XJKSGUPXSA-N 1 0 290.363 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000343011593 377882193 /nfs/dbraw/zinc/88/21/93/377882193.db2.gz UMBFJQVVYLQEMQ-MRXNPFEDSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC2(O)CCCCC2)cccc1[N+](=O)[O-] ZINC000268839810 378128949 /nfs/dbraw/zinc/12/89/49/378128949.db2.gz OKFFVISTIUJZLT-CYBMUJFWSA-N 1 0 292.379 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc(N3CCCCC3)nc2)cn1 ZINC000344425825 378170147 /nfs/dbraw/zinc/17/01/47/378170147.db2.gz WMELLCZGLVGNEJ-UHFFFAOYSA-N 1 0 299.334 3.119 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000582044968 378282008 /nfs/dbraw/zinc/28/20/08/378282008.db2.gz MOONPLXCVIWSCI-WFASDCNBSA-N 1 0 280.368 3.369 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000731213140 572402936 /nfs/dbraw/zinc/40/29/36/572402936.db2.gz KDOFQVAPYNPSOW-GHMZBOCLSA-N 1 0 266.316 3.497 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC23CC3)cc1 ZINC000584005155 378365532 /nfs/dbraw/zinc/36/55/32/378365532.db2.gz JSNNCODXNIKFJD-CQSZACIVSA-N 1 0 260.337 3.060 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272949005 378729328 /nfs/dbraw/zinc/72/93/28/378729328.db2.gz DCUOFIBKGIDKKQ-MGPQQGTHSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277041574 379051259 /nfs/dbraw/zinc/05/12/59/379051259.db2.gz UBRWPGVEOUXOJZ-OCCSQVGLSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccnc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000353691077 220259285 /nfs/dbraw/zinc/25/92/85/220259285.db2.gz SSFGXYOITWOYFJ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000374495226 379447412 /nfs/dbraw/zinc/44/74/12/379447412.db2.gz HVJNZRWXOQKXOB-HZUKXOBISA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@H]1C[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])CC[C@@H]1C ZINC000347607957 218289759 /nfs/dbraw/zinc/28/97/59/218289759.db2.gz UEZNIZDCULVCEL-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])c1ccon1 ZINC000349832942 379411643 /nfs/dbraw/zinc/41/16/43/379411643.db2.gz KLUCLKIXAPAMIX-NWDGAFQWSA-N 1 0 289.335 3.255 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000267013797 190297420 /nfs/dbraw/zinc/29/74/20/190297420.db2.gz IEVNXWXSUKUCET-UHFFFAOYSA-N 1 0 252.289 3.107 20 5 CGBDRO CCC[NH+](CCC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000267564663 190338678 /nfs/dbraw/zinc/33/86/78/190338678.db2.gz IAAQKRKMJQMJSZ-UHFFFAOYSA-N 1 0 277.324 3.358 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000394265996 379918466 /nfs/dbraw/zinc/91/84/66/379918466.db2.gz JAQRJUFCAVYGDX-FDEJFUCISA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOCC1CC1 ZINC000268053159 190372357 /nfs/dbraw/zinc/37/23/57/190372357.db2.gz WNMWDPGCRGPRAK-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000268804563 190434591 /nfs/dbraw/zinc/43/45/91/190434591.db2.gz BLJUIGDLFUZKIE-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO COC1CCC(C)(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000355148209 380598576 /nfs/dbraw/zinc/59/85/76/380598576.db2.gz IQVDKSRJWZPIJW-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO Cc1ccc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000355184549 380614940 /nfs/dbraw/zinc/61/49/40/380614940.db2.gz WWRJFEIXABVIEF-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO CO[C@H](CC(C)C)C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000419245419 380788726 /nfs/dbraw/zinc/78/87/26/380788726.db2.gz VSBSMMXXSDDCFW-MRXNPFEDSA-N 1 0 292.379 3.014 20 5 CGBDRO COCCCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000419378097 380822045 /nfs/dbraw/zinc/82/20/45/380822045.db2.gz CREMSBDKXUHHTM-ZDUSSCGKSA-N 1 0 280.368 3.323 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356790564 380874176 /nfs/dbraw/zinc/87/41/76/380874176.db2.gz SRFMYQBOKSJNPF-XPKDYRNWSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555562 381206945 /nfs/dbraw/zinc/20/69/45/381206945.db2.gz VCLLFHPCXUISLP-DGCLKSJQSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000359894007 381379282 /nfs/dbraw/zinc/37/92/82/381379282.db2.gz DHNKMMCJENMPDH-NSHDSACASA-N 1 0 283.347 3.185 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000362957462 382163990 /nfs/dbraw/zinc/16/39/90/382163990.db2.gz JBJQUBPPKQOHNA-KBPBESRZSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)Cn1cc[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000281003397 195065231 /nfs/dbraw/zinc/06/52/31/195065231.db2.gz MURXXVGKDDSKHW-UHFFFAOYSA-N 1 0 274.324 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccncc3)C2)cc1 ZINC000289302729 197289949 /nfs/dbraw/zinc/28/99/49/197289949.db2.gz IKVBOYMGPVRKIJ-INIZCTEOSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCSCC1)CCC2 ZINC000192979780 285143893 /nfs/dbraw/zinc/14/38/93/285143893.db2.gz JBOXFPPPYMWXMF-HNNXBMFYSA-N 1 0 292.404 3.457 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360048 195210233 /nfs/dbraw/zinc/21/02/33/195210233.db2.gz LDLZFZKBUKKZPA-STQMWFEESA-N 1 0 278.352 3.157 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC12CCC2 ZINC000449128791 533223092 /nfs/dbraw/zinc/22/30/92/533223092.db2.gz ARRHFHGZXYEDGJ-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)o1 ZINC000459677180 533384486 /nfs/dbraw/zinc/38/44/86/533384486.db2.gz PKEBTUBIHIENNH-WDZFZDKYSA-N 1 0 287.319 3.084 20 5 CGBDRO Cc1ccc(C[N@H+]2CCSC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000190844281 130152434 /nfs/dbraw/zinc/15/24/34/130152434.db2.gz BUKWAEHPUGRTMT-NSHDSACASA-N 1 0 280.393 3.088 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CCCO)cc1[N+](=O)[O-] ZINC000221596055 130784842 /nfs/dbraw/zinc/78/48/42/130784842.db2.gz TWJUEAPLEZIPIJ-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)CC(F)(F)F ZINC000361741609 392308748 /nfs/dbraw/zinc/30/87/48/392308748.db2.gz YHWRDRVWHPBIJQ-VIFPVBQESA-N 1 0 276.258 3.334 20 5 CGBDRO C[C@H](c1cccc(O)c1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000109783353 392375236 /nfs/dbraw/zinc/37/52/36/392375236.db2.gz LPVPGDHUXJVXCF-GFCCVEGCSA-N 1 0 286.331 3.493 20 5 CGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718873 392573985 /nfs/dbraw/zinc/57/39/85/392573985.db2.gz JRWUVJVQPSIMKW-CZUORRHYSA-N 1 0 292.379 3.110 20 5 CGBDRO CC(C)[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000301066735 392584402 /nfs/dbraw/zinc/58/44/02/392584402.db2.gz IGDGAOMKVTWURS-HNNXBMFYSA-N 1 0 277.368 3.127 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000509393949 392748396 /nfs/dbraw/zinc/74/83/96/392748396.db2.gz UMBQSGPIYFXIHR-PHIMTYICSA-N 1 0 296.317 3.495 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000180930985 392716008 /nfs/dbraw/zinc/71/60/08/392716008.db2.gz UPNCOQUPPXHJJQ-WDEREUQCSA-N 1 0 288.351 3.347 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000337424555 392884884 /nfs/dbraw/zinc/88/48/84/392884884.db2.gz RMHRZXCHOVUHRP-JOYOIKCWSA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000338956072 392938130 /nfs/dbraw/zinc/93/81/30/392938130.db2.gz HXDJOEWFDWRRIP-VIFPVBQESA-N 1 0 288.269 3.455 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228069911 393019280 /nfs/dbraw/zinc/01/92/80/393019280.db2.gz RELSPTATKJLYQY-ZOWXZIJZSA-N 1 0 280.368 3.185 20 5 CGBDRO CC(C)c1ccc(CN2CCCC[C@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347053109 393099931 /nfs/dbraw/zinc/09/99/31/393099931.db2.gz RZCBNAWXJVDRQW-AWEZNQCLSA-N 1 0 291.395 3.031 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc3c2CCCN3)c1 ZINC000415037095 393107314 /nfs/dbraw/zinc/10/73/14/393107314.db2.gz ONJRYVXFSAGBGC-UHFFFAOYSA-N 1 0 297.358 3.243 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(O)cc1 ZINC000468631668 393156703 /nfs/dbraw/zinc/15/67/03/393156703.db2.gz MUCQTKVCGOCQAJ-LCYFTJDESA-N 1 0 298.342 3.494 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCO1 ZINC000470174507 393230144 /nfs/dbraw/zinc/23/01/44/393230144.db2.gz LKZDDLRNJAZMIJ-OVHOFWQVSA-N 1 0 290.363 3.109 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]1c1ccccc1 ZINC000471186766 393276848 /nfs/dbraw/zinc/27/68/48/393276848.db2.gz MHEMLSAOEWODRT-OAHLLOKOSA-N 1 0 298.342 3.421 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000475154446 393378732 /nfs/dbraw/zinc/37/87/32/393378732.db2.gz QIVSLWHYMJLNOJ-DGCLKSJQSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000475725334 393413429 /nfs/dbraw/zinc/41/34/29/393413429.db2.gz YCWLQOLBIRWQCJ-UPJWGTAASA-N 1 0 292.379 3.470 20 5 CGBDRO Cc1cccc(NC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000420622428 393509227 /nfs/dbraw/zinc/50/92/27/393509227.db2.gz FQBCTLHPQCQRBV-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488510384 393529751 /nfs/dbraw/zinc/52/97/51/393529751.db2.gz BACNBFJHJRQLMU-MWLCHTKSSA-N 1 0 268.744 3.036 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000430192462 393535772 /nfs/dbraw/zinc/53/57/72/393535772.db2.gz ARKYSYZIRGHPFN-CQSZACIVSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)CCSC ZINC000430207549 393539670 /nfs/dbraw/zinc/53/96/70/393539670.db2.gz RCEDGECMCPJXDT-LLVKDONJSA-N 1 0 298.408 3.177 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)=C[C@@H](C)C1 ZINC000430281104 393557398 /nfs/dbraw/zinc/55/73/98/393557398.db2.gz RIACHDHVIWLGKC-LLVKDONJSA-N 1 0 276.336 3.001 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CC2CCC2)C2CC2)c1 ZINC000490198043 393635309 /nfs/dbraw/zinc/63/53/09/393635309.db2.gz CQHFYSCWNMMZDO-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000423404221 393665752 /nfs/dbraw/zinc/66/57/52/393665752.db2.gz ZNDVGQDQRPULPD-SWLSCSKDSA-N 1 0 291.395 3.024 20 5 CGBDRO Cc1ccc([C@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501479 393671768 /nfs/dbraw/zinc/67/17/68/393671768.db2.gz DQDPJWBYDUZQKF-WFASDCNBSA-N 1 0 291.395 3.071 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+](C)C1CC1 ZINC000444836866 393791631 /nfs/dbraw/zinc/79/16/31/393791631.db2.gz RGMJHSFAPDPOOF-UHFFFAOYSA-N 1 0 283.759 3.063 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276027 393877898 /nfs/dbraw/zinc/87/78/98/393877898.db2.gz PZUBIWYXZPWMMD-CYBMUJFWSA-N 1 0 294.395 3.057 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449587862 393914179 /nfs/dbraw/zinc/91/41/79/393914179.db2.gz PGWJPTOVCGPMPW-OAHLLOKOSA-N 1 0 294.395 3.132 20 5 CGBDRO CCC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000451271835 394043793 /nfs/dbraw/zinc/04/37/93/394043793.db2.gz FFHIRLXKKCYUNP-UHFFFAOYSA-N 1 0 288.351 3.284 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453623610 394261984 /nfs/dbraw/zinc/26/19/84/394261984.db2.gz BTTLESBATKOBNK-JTCCWOMRSA-N 1 0 290.363 3.155 20 5 CGBDRO Cc1cccc(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000051669935 397637051 /nfs/dbraw/zinc/63/70/51/397637051.db2.gz PQCFVOPHFMZIMP-UHFFFAOYSA-N 1 0 284.359 3.278 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000020526134 287052017 /nfs/dbraw/zinc/05/20/17/287052017.db2.gz SJRRSXIYYDVCFQ-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000076149972 165112283 /nfs/dbraw/zinc/11/22/83/165112283.db2.gz FXIBYLQJMWYRRZ-ZJUUUORDSA-N 1 0 254.355 3.277 20 5 CGBDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000083247555 165173300 /nfs/dbraw/zinc/17/33/00/165173300.db2.gz KBNOPIJVCVASDG-MRXNPFEDSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@@H](C)[N@H+](C)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089911918 165220941 /nfs/dbraw/zinc/22/09/41/165220941.db2.gz BHYNKXDWXZMLGM-LLVKDONJSA-N 1 0 289.335 3.480 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(NCC[NH+](C(C)C)C(C)C)c1 ZINC000090783377 165243251 /nfs/dbraw/zinc/24/32/51/165243251.db2.gz YIQLZDWNWTZABR-UHFFFAOYSA-N 1 0 295.383 3.134 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090918474 165246438 /nfs/dbraw/zinc/24/64/38/165246438.db2.gz WFBUDMWMJYMCAS-WBMJQRKESA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020131508 171020288 /nfs/dbraw/zinc/02/02/88/171020288.db2.gz IZDQPLMHLSIXNQ-SNVBAGLBSA-N 1 0 260.337 3.434 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccc(C)cc2)cc1[N+](=O)[O-] ZINC000021520291 171315511 /nfs/dbraw/zinc/31/55/11/171315511.db2.gz UWUFHUMENHVAKB-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH+]2CCC3(CCOCC3)CC2)cs1 ZINC000284904568 196153884 /nfs/dbraw/zinc/15/38/84/196153884.db2.gz XAUOUOPFQKMWGX-UHFFFAOYSA-N 1 0 296.392 3.049 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308103 172121778 /nfs/dbraw/zinc/12/17/78/172121778.db2.gz FSNJCQDVZYUFMP-GWCFXTLKSA-N 1 0 266.316 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CCCC2)c1 ZINC000035368060 172159546 /nfs/dbraw/zinc/15/95/46/172159546.db2.gz MWGVQYJEWADSRI-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO CN(CCc1ccccc1[N+](=O)[O-])C/C(Cl)=C/Cl ZINC000285315186 196249059 /nfs/dbraw/zinc/24/90/59/196249059.db2.gz MKZSAADGKWOXOL-FLIBITNWSA-N 1 0 289.162 3.388 20 5 CGBDRO C[C@H]([NH2+]CCCC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285332030 196252606 /nfs/dbraw/zinc/25/26/06/196252606.db2.gz UIAGLGGMSRXSNF-QMMMGPOBSA-N 1 0 291.273 3.170 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000035677742 172348663 /nfs/dbraw/zinc/34/86/63/172348663.db2.gz ZPPZKNRVRPQITJ-OCCSQVGLSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285447759 196286737 /nfs/dbraw/zinc/28/67/37/196286737.db2.gz IVDDJOFGMDNANI-GHMZBOCLSA-N 1 0 298.770 3.010 20 5 CGBDRO CCOCCC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000037010481 172868850 /nfs/dbraw/zinc/86/88/50/172868850.db2.gz CCZKQORLIHTEFX-AWEZNQCLSA-N 1 0 266.341 3.062 20 5 CGBDRO Cc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000037487162 173230189 /nfs/dbraw/zinc/23/01/89/173230189.db2.gz XZRPTPLRTSSUHY-UHFFFAOYSA-N 1 0 256.305 3.193 20 5 CGBDRO Cc1ncsc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071212661 176084287 /nfs/dbraw/zinc/08/42/87/176084287.db2.gz VDUISXYEXLLNBR-SECBINFHSA-N 1 0 277.349 3.211 20 5 CGBDRO COC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC(C)CC1 ZINC000355429252 227766085 /nfs/dbraw/zinc/76/60/85/227766085.db2.gz YOGRHFPSGDNTBG-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC23CC3)c(Cl)c1 ZINC000418097390 228035190 /nfs/dbraw/zinc/03/51/90/228035190.db2.gz NNDCSVJNWQAORX-SNVBAGLBSA-N 1 0 266.728 3.138 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000116280786 228057625 /nfs/dbraw/zinc/05/76/25/228057625.db2.gz VOQOOUUKCQJWRQ-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO CC(C)=CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000188455569 262297871 /nfs/dbraw/zinc/29/78/71/262297871.db2.gz HFLDOTJVMFYCES-OAHLLOKOSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000042895048 270033533 /nfs/dbraw/zinc/03/35/33/270033533.db2.gz KMKVFTOIYBFHAY-CYBMUJFWSA-N 1 0 286.331 3.324 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185638030 270063565 /nfs/dbraw/zinc/06/35/65/270063565.db2.gz NJHLZAGBAKXBAD-GWCFXTLKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185638015 270063799 /nfs/dbraw/zinc/06/37/99/270063799.db2.gz NJHLZAGBAKXBAD-GXFFZTMASA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000218975501 270085753 /nfs/dbraw/zinc/08/57/53/270085753.db2.gz CAQFOUAXSJWKSZ-UHFFFAOYSA-N 1 0 250.342 3.367 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000230405305 270089189 /nfs/dbraw/zinc/08/91/89/270089189.db2.gz KZHRVTASWLWWIK-AAEUAGOBSA-N 1 0 262.353 3.429 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000322637914 270094034 /nfs/dbraw/zinc/09/40/34/270094034.db2.gz BGLPIPKDHULJSA-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000519796332 270098081 /nfs/dbraw/zinc/09/80/81/270098081.db2.gz XCLCGALQOGRCSK-KGLIPLIRSA-N 1 0 293.411 3.366 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1Cc2ccccc2C1 ZINC000521947045 270103339 /nfs/dbraw/zinc/10/33/39/270103339.db2.gz SXCJRUULJFZUGJ-UHFFFAOYSA-N 1 0 296.370 3.442 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1 ZINC000530662446 270201580 /nfs/dbraw/zinc/20/15/80/270201580.db2.gz HDNXHDHRUOGMDL-GFCCVEGCSA-N 1 0 250.342 3.463 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000531140624 270204557 /nfs/dbraw/zinc/20/45/57/270204557.db2.gz AVCDFOOKGJOSPQ-LBPRGKRZSA-N 1 0 250.342 3.463 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000252040267 274066316 /nfs/dbraw/zinc/06/63/16/274066316.db2.gz ZJEGICGRQLKHOE-TYNCELHUSA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332229336 274314509 /nfs/dbraw/zinc/31/45/09/274314509.db2.gz LNFJQISQWIWFEP-WDEREUQCSA-N 1 0 288.351 3.092 20 5 CGBDRO OCCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000021994729 275046134 /nfs/dbraw/zinc/04/61/34/275046134.db2.gz PTTBVUCBACEVGV-UHFFFAOYSA-N 1 0 265.356 3.465 20 5 CGBDRO CCC1(O)CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352555493 276221108 /nfs/dbraw/zinc/22/11/08/276221108.db2.gz NVFOZINSZJWEDD-CYBMUJFWSA-N 1 0 292.379 3.201 20 5 CGBDRO COC[C@@H](C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433153133 277560691 /nfs/dbraw/zinc/56/06/91/277560691.db2.gz OMJOSVMJNASLEN-XHDPSFHLSA-N 1 0 292.379 3.189 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396518848 288013748 /nfs/dbraw/zinc/01/37/48/288013748.db2.gz BVNJZAXBNDYVPL-YPMHNXCESA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000397569619 288024235 /nfs/dbraw/zinc/02/42/35/288024235.db2.gz DEGWZXRTLOMCSL-DGCLKSJQSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H]([NH2+]C1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000135460809 278337058 /nfs/dbraw/zinc/33/70/58/278337058.db2.gz LCHHHFOZMSNLNO-SNVBAGLBSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000515388670 279353968 /nfs/dbraw/zinc/35/39/68/279353968.db2.gz GEJDVFGZGKFLNH-KCJUWKMLSA-N 1 0 288.269 3.370 20 5 CGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000346656295 279466847 /nfs/dbraw/zinc/46/68/47/279466847.db2.gz ZZIOCMAJWLXCHC-XJKSGUPXSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@@H](C)C1 ZINC000475550121 280660481 /nfs/dbraw/zinc/66/04/81/280660481.db2.gz UZKYLHORCNYZFL-DGCLKSJQSA-N 1 0 262.353 3.429 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346797098 280979543 /nfs/dbraw/zinc/97/95/43/280979543.db2.gz KTWUIHPVCSXLIT-GZBFAFLISA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000531725677 288343529 /nfs/dbraw/zinc/34/35/29/288343529.db2.gz MLRJLNHKUQSGNN-RDBSUJKOSA-N 1 0 291.395 3.037 20 5 CGBDRO CC(C)([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000539528122 288619379 /nfs/dbraw/zinc/61/93/79/288619379.db2.gz BHVBWUVDWXDAJB-FNORWQNLSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000540481218 288657142 /nfs/dbraw/zinc/65/71/42/288657142.db2.gz WXDCSFFFAUKYLG-IUCAKERBSA-N 1 0 276.258 3.444 20 5 CGBDRO CC(C)CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000549156856 289036477 /nfs/dbraw/zinc/03/64/77/289036477.db2.gz PFMSIIUBSXROQJ-UHFFFAOYSA-N 1 0 250.342 3.115 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC=C(C)CC1 ZINC000550938250 289092400 /nfs/dbraw/zinc/09/24/00/289092400.db2.gz TUWFFMBEBRHFCE-ZDUSSCGKSA-N 1 0 276.336 3.192 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388226698 327856844 /nfs/dbraw/zinc/85/68/44/327856844.db2.gz KORCANZNNBXYFD-RWSFTLGLSA-N 1 0 278.352 3.059 20 5 CGBDRO CCC[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000152511264 321700617 /nfs/dbraw/zinc/70/06/17/321700617.db2.gz RSCRFBGZAGYLKX-SNVBAGLBSA-N 1 0 252.314 3.054 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000314581128 321959589 /nfs/dbraw/zinc/95/95/89/321959589.db2.gz PJRAJYGQUGELCG-KRWDZBQOSA-N 1 0 298.342 3.251 20 5 CGBDRO Cc1cccc(CC[N@H+](C)CCc2cccc([N+](=O)[O-])c2)n1 ZINC000566163083 322107676 /nfs/dbraw/zinc/10/76/76/322107676.db2.gz UKKAQEBDUAXZFD-UHFFFAOYSA-N 1 0 299.374 3.015 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000567367429 322161049 /nfs/dbraw/zinc/16/10/49/322161049.db2.gz HHSBIZSBWNYQEY-UHFFFAOYSA-N 1 0 250.342 3.427 20 5 CGBDRO CC(C)[C@H]1CC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000568121688 322194302 /nfs/dbraw/zinc/19/43/02/322194302.db2.gz IUUNXKKNPGUTJK-HZRUHFOJSA-N 1 0 260.337 3.338 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000568717298 322219663 /nfs/dbraw/zinc/21/96/63/322219663.db2.gz XHWVLZORWFEMRM-DYEKYZERSA-N 1 0 278.352 3.121 20 5 CGBDRO CCC(CC)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000568830363 322224034 /nfs/dbraw/zinc/22/40/34/322224034.db2.gz JTEKKRPDWBZFHC-ZIAGYGMSSA-N 1 0 294.399 3.301 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000571460966 322299598 /nfs/dbraw/zinc/29/95/98/322299598.db2.gz DJMRHYFTBITLBT-SUNKGSAMSA-N 1 0 260.337 3.218 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000572362974 322333430 /nfs/dbraw/zinc/33/34/30/322333430.db2.gz BHVCQTKPKAMISW-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCCSC1 ZINC000572975272 322364065 /nfs/dbraw/zinc/36/40/65/322364065.db2.gz RGAYVVRFGMTQOR-GXFFZTMASA-N 1 0 278.377 3.067 20 5 CGBDRO CCSCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575195867 322478272 /nfs/dbraw/zinc/47/82/72/322478272.db2.gz YQTSUAIAEJJDBE-CYBMUJFWSA-N 1 0 280.393 3.315 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000584242419 327125727 /nfs/dbraw/zinc/12/57/27/327125727.db2.gz SMLINASTUIVHDG-HNNXBMFYSA-N 1 0 286.331 3.316 20 5 CGBDRO CCOC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000232349964 333336051 /nfs/dbraw/zinc/33/60/51/333336051.db2.gz HHPYJLPNBWHXIN-JSGCOSHPSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000386183218 336167653 /nfs/dbraw/zinc/16/76/53/336167653.db2.gz HWFGEKOWYOZYIL-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCCCC[N@@H+](C)C2CC2)c1 ZINC000413350526 534324937 /nfs/dbraw/zinc/32/49/37/534324937.db2.gz WSWKWWOWFGJVJX-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183712274 524397460 /nfs/dbraw/zinc/39/74/60/524397460.db2.gz JAKHNCZSUXFCMU-ZDUSSCGKSA-N 1 0 285.347 3.491 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000292802337 525649613 /nfs/dbraw/zinc/64/96/13/525649613.db2.gz NSOSFCUPLVFYGM-CQSZACIVSA-N 1 0 294.420 3.478 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NC1CC([NH+]2CCCCC2)C1 ZINC000366524360 534879139 /nfs/dbraw/zinc/87/91/39/534879139.db2.gz CKYSAOXUNMBLDT-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO CC(C)OCCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449234342 527930234 /nfs/dbraw/zinc/93/02/34/527930234.db2.gz POSVVXPEZGVZMH-AWEZNQCLSA-N 1 0 294.395 3.321 20 5 CGBDRO CCC[N@H+](CC)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156790342 527979409 /nfs/dbraw/zinc/97/94/09/527979409.db2.gz WGCBOASAGPQRTH-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173457474 528499186 /nfs/dbraw/zinc/49/91/86/528499186.db2.gz OMDPEQGTWNHRCR-KBPBESRZSA-N 1 0 294.395 3.290 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424332511 528598681 /nfs/dbraw/zinc/59/86/81/528598681.db2.gz WREMNCOANSYCKI-YGRLFVJLSA-N 1 0 276.336 3.197 20 5 CGBDRO CCC(CC)(C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449342042 528693535 /nfs/dbraw/zinc/69/35/35/528693535.db2.gz YQNZXNFLWBOAEG-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO NC(=NOCc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000747823308 572950022 /nfs/dbraw/zinc/95/00/22/572950022.db2.gz AIRVUPWGQPAZTG-UHFFFAOYSA-N 1 0 295.314 3.313 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC(F)(F)F ZINC000090740065 618158017 /nfs/dbraw/zinc/15/80/17/618158017.db2.gz VBNHJOCBKASPHJ-UHFFFAOYSA-N 1 0 282.649 3.290 20 5 CGBDRO COc1ccc(C[NH+]2CCCCCCC2)cc1[N+](=O)[O-] ZINC000051228751 618235700 /nfs/dbraw/zinc/23/57/00/618235700.db2.gz LCAWKXSTCTYEOI-UHFFFAOYSA-N 1 0 278.352 3.370 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000934398493 618616985 /nfs/dbraw/zinc/61/69/85/618616985.db2.gz VPLSUHBQCVUITD-SWLSCSKDSA-N 1 0 290.363 3.347 20 5 CGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893284013 619066589 /nfs/dbraw/zinc/06/65/89/619066589.db2.gz CDCADGQTJVRTOG-RISCZKNCSA-N 1 0 298.770 3.153 20 5 CGBDRO CC[NH+](CC)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111289821 619191388 /nfs/dbraw/zinc/19/13/88/619191388.db2.gz WEDNMGVABQMIDW-UHFFFAOYSA-N 1 0 287.310 3.286 20 5 CGBDRO CC(C)c1nccn1CCNc1ccccc1[N+](=O)[O-] ZINC000895989666 619922252 /nfs/dbraw/zinc/92/22/52/619922252.db2.gz RIMHOTSTWUDLLG-UHFFFAOYSA-N 1 0 274.324 3.027 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896511659 620015668 /nfs/dbraw/zinc/01/56/68/620015668.db2.gz ISHWYXXQNPGOAU-UMNHJUIQSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCCO1 ZINC000896923542 620103914 /nfs/dbraw/zinc/10/39/14/620103914.db2.gz GIOHHRBAQRLIRR-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCO1 ZINC000896923559 620103948 /nfs/dbraw/zinc/10/39/48/620103948.db2.gz JRHGQNMWUNQSIB-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000035009920 620222800 /nfs/dbraw/zinc/22/28/00/620222800.db2.gz SZWCQJPLZKCCRV-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897461552 620340039 /nfs/dbraw/zinc/34/00/39/620340039.db2.gz RNPUYGOCMXSIRJ-FQUUOJAGSA-N 1 0 274.364 3.334 20 5 CGBDRO CC(C)(C)[C@@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396079 620874088 /nfs/dbraw/zinc/87/40/88/620874088.db2.gz PMPRYCMJXHBHFU-ZDUSSCGKSA-N 1 0 275.308 3.296 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000903060378 621549452 /nfs/dbraw/zinc/54/94/52/621549452.db2.gz XSJAFGIUAYHUOO-ZJUUUORDSA-N 1 0 264.325 3.053 20 5 CGBDRO COCC[C@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287438 621670972 /nfs/dbraw/zinc/67/09/72/621670972.db2.gz PCIXSYFLRKAETI-XNRPHZJLSA-N 1 0 292.379 3.451 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000903332070 621706118 /nfs/dbraw/zinc/70/61/18/621706118.db2.gz PPEWKMJXERYGAU-NEPJUHHUSA-N 1 0 280.368 3.367 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C/C=C/Cl)CCC2 ZINC000903444298 621755667 /nfs/dbraw/zinc/75/56/67/621755667.db2.gz OGETUSNNIWNOJZ-VRMVNXKISA-N 1 0 266.728 3.314 20 5 CGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000788070494 625588515 /nfs/dbraw/zinc/58/85/15/625588515.db2.gz GQICBXUSOONJRH-JTQLQIEISA-N 1 0 283.759 3.144 20 5 CGBDRO C[N@H+](CC1CCCC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000058207536 622909817 /nfs/dbraw/zinc/90/98/17/622909817.db2.gz RHRFXGFLTKWPSV-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000060942117 623082426 /nfs/dbraw/zinc/08/24/26/623082426.db2.gz WTIYRUMWBDVWLV-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)[C@@H](C)C(C)C ZINC000064111935 623410213 /nfs/dbraw/zinc/41/02/13/623410213.db2.gz BGTAGJCTPRJCLR-LBPRGKRZSA-N 1 0 290.367 3.268 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774920 623453873 /nfs/dbraw/zinc/45/38/73/623453873.db2.gz UZHFGMZDWGVVFO-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537858 626011501 /nfs/dbraw/zinc/01/15/01/626011501.db2.gz LMLVPUOWUSVZNV-NWDGAFQWSA-N 1 0 266.341 3.059 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000839659730 626771792 /nfs/dbraw/zinc/77/17/92/626771792.db2.gz HEHZVFWSJXZJQZ-JTQLQIEISA-N 1 0 298.770 3.295 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000839661759 626772650 /nfs/dbraw/zinc/77/26/50/626772650.db2.gz ZHWNJASYEPBYMX-JTQLQIEISA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000761511730 627047356 /nfs/dbraw/zinc/04/73/56/627047356.db2.gz OVQNDTCXDUIEQB-AOOOYVTPSA-N 1 0 268.744 3.336 20 5 CGBDRO CC[C@H]([NH2+]C1CCC(C)(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766480342 627336128 /nfs/dbraw/zinc/33/61/28/627336128.db2.gz RELBGHJCRHVUNQ-SIWZUTFBSA-N 1 0 292.379 3.329 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCOC1 ZINC000768555233 627486505 /nfs/dbraw/zinc/48/65/05/627486505.db2.gz OJGCIIVFUAKTAW-LBPRGKRZSA-N 1 0 298.770 3.107 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000776030100 628160597 /nfs/dbraw/zinc/16/05/97/628160597.db2.gz QPLVAYWVOFMAEX-AWEZNQCLSA-N 1 0 296.342 3.029 20 5 CGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000776575960 628220212 /nfs/dbraw/zinc/22/02/12/628220212.db2.gz XDMKXZCUCUEFCH-INIZCTEOSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582494 628221446 /nfs/dbraw/zinc/22/14/46/628221446.db2.gz RIXRNGVVMCUUHZ-GJZGRUSLSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1nn(C[NH+](CCC(C)C)CCC(C)C)cc1[N+](=O)[O-] ZINC000779859419 628438854 /nfs/dbraw/zinc/43/88/54/628438854.db2.gz IAKWZTDDMYIKLV-UHFFFAOYSA-N 1 0 296.415 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccco2)cc1Cl ZINC000783592337 628729717 /nfs/dbraw/zinc/72/97/17/628729717.db2.gz DIEAESAUVXFDCH-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO CC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783609200 628731591 /nfs/dbraw/zinc/73/15/91/628731591.db2.gz XUQBCMXVVSWVIC-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783640898 628734887 /nfs/dbraw/zinc/73/48/87/628734887.db2.gz LEMVRHHFBIAJPT-CMPLNLGQSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c(C)o1 ZINC000790995707 629248091 /nfs/dbraw/zinc/24/80/91/629248091.db2.gz CACUVHQHXKZJGJ-UHFFFAOYSA-N 1 0 274.320 3.403 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875048 629390022 /nfs/dbraw/zinc/39/00/22/629390022.db2.gz XNAXJVDLGOXDKS-PWSUYJOCSA-N 1 0 293.323 3.266 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862517805 629390563 /nfs/dbraw/zinc/39/05/63/629390563.db2.gz USQIOLCCCQCDIX-QOBXEIRBSA-N 1 0 298.770 3.150 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccccn3)C2)cc1[N+](=O)[O-] ZINC000798963106 630129799 /nfs/dbraw/zinc/12/97/99/630129799.db2.gz XEQHKFPORIAVLV-HNNXBMFYSA-N 1 0 297.358 3.288 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000801570705 630344813 /nfs/dbraw/zinc/34/48/13/630344813.db2.gz PQDBZXGYLZGMTP-HZMBPMFUSA-N 1 0 292.360 3.041 20 5 CGBDRO C[C@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808728481 630671813 /nfs/dbraw/zinc/67/18/13/630671813.db2.gz PGQCDJOVHBWNGI-IINYFYTJSA-N 1 0 273.336 3.007 20 5 CGBDRO COCC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000814173841 631538329 /nfs/dbraw/zinc/53/83/29/631538329.db2.gz YOTHSOZNSDIQRW-UHFFFAOYSA-N 1 0 286.759 3.010 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000817414005 632143056 /nfs/dbraw/zinc/14/30/56/632143056.db2.gz BJKUKGFGSAKBPT-RYUDHWBXSA-N 1 0 298.770 3.295 20 5 CGBDRO CC1(C)CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819099699 632378542 /nfs/dbraw/zinc/37/85/42/632378542.db2.gz HCQHIKPIHOYDCG-HNNXBMFYSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000866240904 633040892 /nfs/dbraw/zinc/04/08/92/633040892.db2.gz QCIBRJAFPHYIMI-JTQLQIEISA-N 1 0 278.283 3.048 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCCSC1 ZINC000866279478 633063028 /nfs/dbraw/zinc/06/30/28/633063028.db2.gz UZEQNPFRFMOMHK-MFKMUULPSA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC=CCC1 ZINC000866299745 633069765 /nfs/dbraw/zinc/06/97/65/633069765.db2.gz PIHPSNGMNIDIOC-SMDDNHRTSA-N 1 0 278.327 3.363 20 5 CGBDRO C[C@@H](CCc1cccnc1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000866311296 633076640 /nfs/dbraw/zinc/07/66/40/633076640.db2.gz HYBZJYIJPNDBJR-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCSC1 ZINC000866352157 633094360 /nfs/dbraw/zinc/09/43/60/633094360.db2.gz OXEVAHUQZDAAHO-GHMZBOCLSA-N 1 0 298.383 3.008 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(C)(F)F ZINC000866364937 633103264 /nfs/dbraw/zinc/10/32/64/633103264.db2.gz SWDAFKGXWPRDJW-SECBINFHSA-N 1 0 290.285 3.300 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000866373747 633109662 /nfs/dbraw/zinc/10/96/62/633109662.db2.gz RLXMHQABXREMDV-FIXIBIHLSA-N 1 0 292.354 3.443 20 5 CGBDRO Cc1c([C@H](C)[NH2+]Cc2ccnc(F)c2)cccc1[N+](=O)[O-] ZINC000866472453 633147028 /nfs/dbraw/zinc/14/70/28/633147028.db2.gz AEQIGYDCWHNUKK-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000866474647 633149186 /nfs/dbraw/zinc/14/91/86/633149186.db2.gz YQXGTNUTWLPEOI-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000866486384 633156066 /nfs/dbraw/zinc/15/60/66/633156066.db2.gz FWAQTOBRWMHFDJ-NQBHXWOUSA-N 1 0 280.393 3.448 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000866635991 633224782 /nfs/dbraw/zinc/22/47/82/633224782.db2.gz VXQWEYULSOOXPM-KCQAQPDRSA-N 1 0 294.395 3.055 20 5 CGBDRO C[C@@H](CO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000121174076 633231993 /nfs/dbraw/zinc/23/19/93/633231993.db2.gz FXUBGXKFNJYMKQ-ZDUSSCGKSA-N 1 0 265.356 3.463 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000827488154 633494223 /nfs/dbraw/zinc/49/42/23/633494223.db2.gz DBASRQKPDSPEHA-IWIIMEHWSA-N 1 0 266.728 3.136 20 5 CGBDRO COCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016701 633936963 /nfs/dbraw/zinc/93/69/63/633936963.db2.gz NIVULBQSXHTQHA-SNVBAGLBSA-N 1 0 284.381 3.004 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026963 633947377 /nfs/dbraw/zinc/94/73/77/633947377.db2.gz GWKBEPCTJMQDEM-GUBZILKMSA-N 1 0 252.289 3.041 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033358 633951917 /nfs/dbraw/zinc/95/19/17/633951917.db2.gz BRPHUQAUGCIIQV-ZYHUDNBSSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035772 633954488 /nfs/dbraw/zinc/95/44/88/633954488.db2.gz QOARBWOWRMQVCP-MNOVXSKESA-N 1 0 298.358 3.182 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050635 633973281 /nfs/dbraw/zinc/97/32/81/633973281.db2.gz ALGJZGRGGDFFKU-DTWKUNHWSA-N 1 0 272.345 3.136 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051334 633974388 /nfs/dbraw/zinc/97/43/88/633974388.db2.gz JFRIHMZARIDVNC-GHMZBOCLSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051336 633974736 /nfs/dbraw/zinc/97/47/36/633974736.db2.gz JFRIHMZARIDVNC-QWRGUYRKSA-N 1 0 296.342 3.342 20 5 CGBDRO CSC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872065891 633988184 /nfs/dbraw/zinc/98/81/84/633988184.db2.gz CBGRRUGJKMAEKB-SECBINFHSA-N 1 0 284.356 3.280 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087171 634013011 /nfs/dbraw/zinc/01/30/11/634013011.db2.gz GPTFRWGUMIVSGB-VXGBXAGGSA-N 1 0 296.342 3.201 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087169 634013597 /nfs/dbraw/zinc/01/35/97/634013597.db2.gz GPTFRWGUMIVSGB-RYUDHWBXSA-N 1 0 296.342 3.201 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107239 634030721 /nfs/dbraw/zinc/03/07/21/634030721.db2.gz XNSVOTWFOAXJJF-QWRGUYRKSA-N 1 0 296.342 3.200 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872129498 634049878 /nfs/dbraw/zinc/04/98/78/634049878.db2.gz DNGLGGDBRAEJKH-UPJWGTAASA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000872129580 634051023 /nfs/dbraw/zinc/05/10/23/634051023.db2.gz NOAAHDMHBLKGND-UMVBOHGHSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129818 634051155 /nfs/dbraw/zinc/05/11/55/634051155.db2.gz WLMYNPDFBZUHJQ-UPJWGTAASA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000873132280 634253485 /nfs/dbraw/zinc/25/34/85/634253485.db2.gz NNVXCBHVRUJQRU-XBFCOCLRSA-N 1 0 292.379 3.115 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000873132174 634253535 /nfs/dbraw/zinc/25/35/35/634253535.db2.gz KHPWKJUAKSBQNJ-KBPBESRZSA-N 1 0 292.379 3.259 20 5 CGBDRO CC[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873183623 634272979 /nfs/dbraw/zinc/27/29/79/634272979.db2.gz WZHGRKLWZVEMGQ-MJBXVCDLSA-N 1 0 292.379 3.451 20 5 CGBDRO CCCC[C@H](CCC)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877083168 634978179 /nfs/dbraw/zinc/97/81/79/634978179.db2.gz JBFOQBUQSVWSEP-HSBZDZAISA-N 1 0 294.399 3.443 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC1(F)F ZINC000840968123 635095931 /nfs/dbraw/zinc/09/59/31/635095931.db2.gz NSRSLXUJNOVZRX-XCBNKYQSSA-N 1 0 290.697 3.382 20 5 CGBDRO CCC[NH2+][C@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178407 635597446 /nfs/dbraw/zinc/59/74/46/635597446.db2.gz CGTANCXRLQBQPG-SNVBAGLBSA-N 1 0 290.323 3.014 20 5 CGBDRO COCC1([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000880185878 635930688 /nfs/dbraw/zinc/93/06/88/635930688.db2.gz GXBGWQBATYCMQS-UHFFFAOYSA-N 1 0 298.770 3.249 20 5 CGBDRO CC(C)[NH+](CCCNc1ccnc(F)c1[N+](=O)[O-])C(C)C ZINC000882042070 636241539 /nfs/dbraw/zinc/24/15/39/636241539.db2.gz JIRAUJLIKULCHE-UHFFFAOYSA-N 1 0 298.362 3.050 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848784244 636657511 /nfs/dbraw/zinc/65/75/11/636657511.db2.gz VVWDESJEOPDSCV-JSGCOSHPSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2cscn2)c1 ZINC000108941905 636893128 /nfs/dbraw/zinc/89/31/28/636893128.db2.gz JNHYSBQXDJYRGA-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000850467916 637078586 /nfs/dbraw/zinc/07/85/86/637078586.db2.gz AVIHDXXGSCFVJF-YGRLFVJLSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850540115 637114103 /nfs/dbraw/zinc/11/41/03/637114103.db2.gz KSIONDAYPFYUNF-TVQRCGJNSA-N 1 0 263.341 3.016 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC2SCCS2)cccc1[N+](=O)[O-] ZINC000850559472 637123593 /nfs/dbraw/zinc/12/35/93/637123593.db2.gz BSBAZPLLJBUIIQ-JTQLQIEISA-N 1 0 298.433 3.360 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCCSC2)c1 ZINC000135695159 637154777 /nfs/dbraw/zinc/15/47/77/637154777.db2.gz XOOXHWCRXDXSAB-JTQLQIEISA-N 1 0 286.784 3.233 20 5 CGBDRO CSCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796830 637177128 /nfs/dbraw/zinc/17/71/28/637177128.db2.gz ALUUULDOODVKLT-WDEREUQCSA-N 1 0 268.382 3.387 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]1Cc1ccccc1 ZINC000885935079 637319683 /nfs/dbraw/zinc/31/96/83/637319683.db2.gz BALAJBDSWUPCRH-INIZCTEOSA-N 1 0 297.358 3.197 20 5 CGBDRO C[C@@H](c1cccs1)N(C)Cc1cccnc1[N+](=O)[O-] ZINC000885958010 637330886 /nfs/dbraw/zinc/33/08/86/637330886.db2.gz BOHJFPSINYVXTG-JTQLQIEISA-N 1 0 277.349 3.244 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@]2(CC=CCC2)C1 ZINC000886011359 637360158 /nfs/dbraw/zinc/36/01/58/637360158.db2.gz ZKSCUOMEAZXEQZ-MRXNPFEDSA-N 1 0 287.363 3.312 20 5 CGBDRO CC[C@@H](Cc1ccccc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021068 637369263 /nfs/dbraw/zinc/36/92/63/637369263.db2.gz OGLZAQVFNXLARS-INIZCTEOSA-N 1 0 299.374 3.443 20 5 CGBDRO CCC[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886134088 637430013 /nfs/dbraw/zinc/43/00/13/637430013.db2.gz JVLNUTAEBZREGL-ZDUSSCGKSA-N 1 0 263.341 3.144 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@@H](C)C1 ZINC000886239118 637466888 /nfs/dbraw/zinc/46/68/88/637466888.db2.gz PRIQBDKVECPQKP-FRRDWIJNSA-N 1 0 277.368 3.294 20 5 CGBDRO Cc1cccc(C2([NH2+]Cc3cccnc3[N+](=O)[O-])CCC2)c1 ZINC000886265695 637471553 /nfs/dbraw/zinc/47/15/53/637471553.db2.gz OTURGYGDMHIYBP-UHFFFAOYSA-N 1 0 297.358 3.467 20 5 CGBDRO Cc1cncc([C@@H]2CCCN2Cc2cccnc2[N+](=O)[O-])c1 ZINC000886310677 637494206 /nfs/dbraw/zinc/49/42/06/637494206.db2.gz RTEDATIZJAFDPF-HNNXBMFYSA-N 1 0 298.346 3.030 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886716414 637669779 /nfs/dbraw/zinc/66/97/79/637669779.db2.gz YAOPWNTUPHCECV-SWLSCSKDSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886834613 637712523 /nfs/dbraw/zinc/71/25/23/637712523.db2.gz AYCLVFYJPIILCT-IVMMDQJWSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000925689495 638570180 /nfs/dbraw/zinc/57/01/80/638570180.db2.gz ASMAYXJHQHBLKJ-UWVGGRQHSA-N 1 0 268.744 3.405 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCOC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000926272345 638757877 /nfs/dbraw/zinc/75/78/77/638757877.db2.gz WNHYCEFVXXFFTN-CABCVRRESA-N 1 0 292.379 3.054 20 5 CGBDRO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000926918720 638825405 /nfs/dbraw/zinc/82/54/05/638825405.db2.gz IUDAGRZBBJNIHH-APHBMKBZSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@@H]([NH2+]CCCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000930234862 638984845 /nfs/dbraw/zinc/98/48/45/638984845.db2.gz HVWFZUFEVQRAAC-CYBMUJFWSA-N 1 0 285.347 3.273 20 5 CGBDRO CN(Cc1ccccc1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000047540429 640018143 /nfs/dbraw/zinc/01/81/43/640018143.db2.gz HBLOUNOSLBAVQD-UHFFFAOYSA-N 1 0 274.295 3.366 20 5 CGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000047721352 640025804 /nfs/dbraw/zinc/02/58/04/640025804.db2.gz KPSRFEWOKXWZHR-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO CC(C)=CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000191631859 640324285 /nfs/dbraw/zinc/32/42/85/640324285.db2.gz KATIXBRWCWYNJD-UHFFFAOYSA-N 1 0 254.717 3.304 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001159615729 806133002 /nfs/dbraw/zinc/13/30/02/806133002.db2.gz SRORWVBCTCFOPY-UHFFFAOYSA-N 1 0 283.331 3.293 20 5 CGBDRO Cc1ccc(Nc2ccc(CC[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001159646153 806140489 /nfs/dbraw/zinc/14/04/89/806140489.db2.gz ONZJDQRAWHWLAL-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc([C@@H]2CC[NH2+]C2)cc1 ZINC001159776653 806171642 /nfs/dbraw/zinc/17/16/42/806171642.db2.gz GFJKBCKRDNPWFN-CYBMUJFWSA-N 1 0 298.346 3.119 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[NH2+]CCO3)c([N+](=O)[O-])c1 ZINC001159796933 806175734 /nfs/dbraw/zinc/17/57/34/806175734.db2.gz PPGIGSKKVCMVST-UHFFFAOYSA-N 1 0 299.330 3.129 20 5 CGBDRO CCC1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001254545884 806446247 /nfs/dbraw/zinc/44/62/47/806446247.db2.gz QGTMGTSDTFNHBD-LBPRGKRZSA-N 1 0 262.353 3.448 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCC1 ZINC001254549047 806448196 /nfs/dbraw/zinc/44/81/96/806448196.db2.gz QTXXZJLPOMDCIU-NWDGAFQWSA-N 1 0 262.353 3.304 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)C2 ZINC001254575191 806454423 /nfs/dbraw/zinc/45/44/23/806454423.db2.gz PKGCSXSRYGNICC-ISGYEWALSA-N 1 0 286.375 3.230 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001254572049 806454619 /nfs/dbraw/zinc/45/46/19/806454619.db2.gz HBCXJFPBIMTVSD-QGZVFWFLSA-N 1 0 296.370 3.469 20 5 CGBDRO C[N@H+](CCc1ccccc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596387 806457249 /nfs/dbraw/zinc/45/72/49/806457249.db2.gz CWQLYMKEVSOYDF-SFHVURJKSA-N 1 0 296.370 3.237 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC13CCCCC3)C2 ZINC001254593373 806456789 /nfs/dbraw/zinc/45/67/89/806456789.db2.gz LQVNZBJGQPQQOI-INIZCTEOSA-N 1 0 286.375 3.471 20 5 CGBDRO CC(C)[NH+](C(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600279 806459182 /nfs/dbraw/zinc/45/91/82/806459182.db2.gz SHBLWICASAYKDK-HNNXBMFYSA-N 1 0 262.353 3.181 20 5 CGBDRO Cc1nc(NCC[PH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC001162363613 806565571 /nfs/dbraw/zinc/56/55/71/806565571.db2.gz VGZBUJSTMUJQPA-UHFFFAOYSA-N 1 0 298.327 3.404 20 5 CGBDRO COC[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000097604701 798974253 /nfs/dbraw/zinc/97/42/53/798974253.db2.gz CCLUXZJJIWKHPC-GFCCVEGCSA-N 1 0 286.759 3.009 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[N@@H+]2CC[C@@H](C3CC3)C2)c1 ZINC000400307433 799544989 /nfs/dbraw/zinc/54/49/89/799544989.db2.gz YIJQDWPMFMFFSN-LLVKDONJSA-N 1 0 280.755 3.480 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001163459542 806766117 /nfs/dbraw/zinc/76/61/17/806766117.db2.gz GRLGCTORSMUBLI-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000704813525 799941106 /nfs/dbraw/zinc/94/11/06/799941106.db2.gz IHAMZMWNXOLWTR-NEPJUHHUSA-N 1 0 280.393 3.389 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000718732024 800220828 /nfs/dbraw/zinc/22/08/28/800220828.db2.gz IBJUMLQRELJQPR-KGLIPLIRSA-N 1 0 278.352 3.032 20 5 CGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000809351850 800429709 /nfs/dbraw/zinc/42/97/09/800429709.db2.gz QAHBUWRUMYVTIQ-LLVKDONJSA-N 1 0 299.321 3.063 20 5 CGBDRO [NH3+]Cc1cnccc1-c1cc2cccnc2c2ncccc12 ZINC001245562263 803816264 /nfs/dbraw/zinc/81/62/64/803816264.db2.gz BHHFHDJHCVMABU-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO CCc1cc(Nc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001248598409 804960223 /nfs/dbraw/zinc/96/02/23/804960223.db2.gz MMIMSTDGXQPPDK-UHFFFAOYSA-N 1 0 277.711 3.371 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc(C[NH+](C)C)cc1 ZINC001249546331 805171918 /nfs/dbraw/zinc/17/19/18/805171918.db2.gz SEBSPOWGGQICKY-UHFFFAOYSA-N 1 0 286.335 3.103 20 5 CGBDRO Cc1ccc(CCC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168963614 807542953 /nfs/dbraw/zinc/54/29/53/807542953.db2.gz PBRSNERSOQIRPF-CHWSQXEVSA-N 1 0 282.409 3.024 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977232 807544732 /nfs/dbraw/zinc/54/47/32/807544732.db2.gz IZIHSGLHNQGQKY-UKRRQHHQSA-N 1 0 276.380 3.265 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001168977046 807545329 /nfs/dbraw/zinc/54/53/29/807545329.db2.gz HFWNHOGTIYYCRB-RIEGTJTDSA-N 1 0 294.782 3.362 20 5 CGBDRO CC(C)CCC[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978816 807545928 /nfs/dbraw/zinc/54/59/28/807545928.db2.gz UMUQRMHDMRTDTK-IHRRRGAJSA-N 1 0 256.390 3.236 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1C ZINC001168985358 807546926 /nfs/dbraw/zinc/54/69/26/807546926.db2.gz DPMNINNTZRZNPR-OFQRWUPVSA-N 1 0 276.380 3.481 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C)o1 ZINC001168984440 807547039 /nfs/dbraw/zinc/54/70/39/807547039.db2.gz NXPVRCKJYUFGGJ-RWMBFGLXSA-N 1 0 266.341 3.074 20 5 CGBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168984620 807547425 /nfs/dbraw/zinc/54/74/25/807547425.db2.gz PCEAXCOEBFFLJE-IJEWVQPXSA-N 1 0 276.380 3.399 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3sccc32)C1 ZINC001168987834 807548060 /nfs/dbraw/zinc/54/80/60/807548060.db2.gz KRUKYKALKKSNBR-DGCLKSJQSA-N 1 0 290.388 3.436 20 5 CGBDRO CC1(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998540 807549156 /nfs/dbraw/zinc/54/91/56/807549156.db2.gz OKBOPUHIAHWGMB-NWDGAFQWSA-N 1 0 290.354 3.237 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169008571 807551894 /nfs/dbraw/zinc/55/18/94/807551894.db2.gz SRIZLIXFNVLPPB-AQNFWKISSA-N 1 0 294.782 3.231 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039868 807556884 /nfs/dbraw/zinc/55/68/84/807556884.db2.gz VDBCCZGXGPWCEN-QMTHXVAHSA-N 1 0 280.755 3.101 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038636 807557216 /nfs/dbraw/zinc/55/72/16/807557216.db2.gz JPYAJEPCRSWVNC-TWZSPHTKSA-N 1 0 274.364 3.077 20 5 CGBDRO CCCC[NH+](CCCC)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038098 807557497 /nfs/dbraw/zinc/55/74/97/807557497.db2.gz VIIVNYKRXVZYLY-KBPBESRZSA-N 1 0 256.390 3.334 20 5 CGBDRO CC[N@H+](Cc1ccccc1F)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038975 807557596 /nfs/dbraw/zinc/55/75/96/807557596.db2.gz LZSPKMHZQDZTGI-JSGCOSHPSA-N 1 0 280.343 3.093 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040206 807557918 /nfs/dbraw/zinc/55/79/18/807557918.db2.gz YSCSFNLCYFGYDG-ZFWWWQNUSA-N 1 0 280.343 3.093 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1F)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047020 807558275 /nfs/dbraw/zinc/55/82/75/807558275.db2.gz PQQYCQWUEJEOND-YPMHNXCESA-N 1 0 298.333 3.232 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001169494460 807651779 /nfs/dbraw/zinc/65/17/79/807651779.db2.gz KMJUYJFWNJUGKV-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC001170290593 807817727 /nfs/dbraw/zinc/81/77/27/807817727.db2.gz DFHUUQMUGBNMSO-NWDGAFQWSA-N 1 0 280.368 3.169 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC001170290595 807819364 /nfs/dbraw/zinc/81/93/64/807819364.db2.gz DFHUUQMUGBNMSO-VXGBXAGGSA-N 1 0 280.368 3.169 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304866 807822838 /nfs/dbraw/zinc/82/28/38/807822838.db2.gz GZJRDFQQWBUBCC-NEPJUHHUSA-N 1 0 280.368 3.313 20 5 CGBDRO c1ccc2cc3c(cc2c1)ncnc3NC[C@@H]1CCCC[NH2+]1 ZINC001171329283 808028740 /nfs/dbraw/zinc/02/87/40/808028740.db2.gz HZGYQHVDRXBNKA-HNNXBMFYSA-N 1 0 292.386 3.337 20 5 CGBDRO Cc1cc(Cl)c(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171340354 808031608 /nfs/dbraw/zinc/03/16/08/808031608.db2.gz PZNHCALGVCGPRD-JTQLQIEISA-N 1 0 283.759 3.111 20 5 CGBDRO Cc1cc(Cl)c(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171340356 808032038 /nfs/dbraw/zinc/03/20/38/808032038.db2.gz PZNHCALGVCGPRD-SNVBAGLBSA-N 1 0 283.759 3.111 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC3(CC3)C1)CC2 ZINC001172902340 808476147 /nfs/dbraw/zinc/47/61/47/808476147.db2.gz ARDAMFPFQUBDFJ-OAHLLOKOSA-N 1 0 286.375 3.328 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CCCC2)c1F ZINC001173175013 808532045 /nfs/dbraw/zinc/53/20/45/808532045.db2.gz IPVBMTPVWODPAS-JTQLQIEISA-N 1 0 296.342 3.206 20 5 CGBDRO CC[N@H+](C(C)C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181252 808533967 /nfs/dbraw/zinc/53/39/67/808533967.db2.gz CIXGOMMMTDJHQU-LLVKDONJSA-N 1 0 298.358 3.404 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CC[C@@H](F)C1 ZINC001173210095 808537629 /nfs/dbraw/zinc/53/76/29/808537629.db2.gz IGNCVMIAWYJQMV-MRVWCRGKSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(C)C1 ZINC001173215962 808538900 /nfs/dbraw/zinc/53/89/00/808538900.db2.gz BFPKFJJWFXSFMK-NSHDSACASA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2ncccc21 ZINC001173220133 808540447 /nfs/dbraw/zinc/54/04/47/808540447.db2.gz UNWQLGZIWNMJDW-SJKOYZFVSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCOC(C)(C)C1 ZINC001173227597 808541594 /nfs/dbraw/zinc/54/15/94/808541594.db2.gz REWIQSKFJFZFIJ-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)CC12CC2 ZINC001173233232 808542954 /nfs/dbraw/zinc/54/29/54/808542954.db2.gz UUHPPNAKJIJWEK-QWHCGFSZSA-N 1 0 274.364 3.400 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018159 810229607 /nfs/dbraw/zinc/22/96/07/810229607.db2.gz WVAGFGAHOJGACB-VXGBXAGGSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@H](C)[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521628 810721459 /nfs/dbraw/zinc/72/14/59/810721459.db2.gz UCISKNKXWKWPDD-NWDGAFQWSA-N 1 0 262.353 3.388 20 5 CGBDRO CCC1(CC)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001194091989 811013547 /nfs/dbraw/zinc/01/35/47/811013547.db2.gz NSVOEQWUTRZSIB-CABCVRRESA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1cccc2[nH+]cc(Nc3ccc(F)c([N+](=O)[O-])c3)n21 ZINC001211191387 814844832 /nfs/dbraw/zinc/84/48/32/814844832.db2.gz UQOFHMKOOBKILQ-UHFFFAOYSA-N 1 0 286.266 3.434 20 5 CGBDRO O=[N+]([O-])c1ccc(CO[C@@H]2CCC[NH2+]C2)c2ccccc21 ZINC001217768214 815957305 /nfs/dbraw/zinc/95/73/05/815957305.db2.gz WUGWNQBGULQVEP-CYBMUJFWSA-N 1 0 286.331 3.017 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@H]2C)c([N+](=O)[O-])cc1Cl ZINC001217987985 816035481 /nfs/dbraw/zinc/03/54/81/816035481.db2.gz JCIWWKWMHARTNI-ZWNOBZJWSA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc(C)c1[N+](=O)[O-] ZINC001218090924 816092457 /nfs/dbraw/zinc/09/24/57/816092457.db2.gz JDLLBJPCFLEQFG-GDBMZVCRSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(OC2CC3(C2)CCC[NH2+]C3)c1 ZINC001218253882 816142986 /nfs/dbraw/zinc/14/29/86/816142986.db2.gz OHPGYYSPUCDZJD-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218305046 816158822 /nfs/dbraw/zinc/15/88/22/816158822.db2.gz BQRYQAPOJHMAFM-NSHDSACASA-N 1 0 296.754 3.302 20 5 CGBDRO C[C@@H]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218393579 816188537 /nfs/dbraw/zinc/18/85/37/816188537.db2.gz OJUPJHFFQKGUCB-DGCLKSJQSA-N 1 0 292.379 3.412 20 5 CGBDRO C[C@@H]1CC[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C[NH2+]1 ZINC001218397346 816190654 /nfs/dbraw/zinc/19/06/54/816190654.db2.gz CXNDSLWQKAXDFJ-DGCLKSJQSA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218411812 816201285 /nfs/dbraw/zinc/20/12/85/816201285.db2.gz BTGJOARSZAYKEW-XIKOKIGWSA-N 1 0 293.370 3.160 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218411795 816201371 /nfs/dbraw/zinc/20/13/71/816201371.db2.gz BEQZHECQXRLMBS-MLGOLLRUSA-N 1 0 293.370 3.160 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001218412662 816202643 /nfs/dbraw/zinc/20/26/43/816202643.db2.gz CSXXWIYJQNROOU-ABAIWWIYSA-N 1 0 286.331 3.125 20 5 CGBDRO CC1(C)C[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218477545 816234405 /nfs/dbraw/zinc/23/44/05/816234405.db2.gz QKUZWRXNLRCUPR-JTQLQIEISA-N 1 0 284.743 3.158 20 5 CGBDRO CC[N@@H+]1CCC[C@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432454 816629678 /nfs/dbraw/zinc/62/96/78/816629678.db2.gz VDSCUHWFOUPFRB-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430712 816629967 /nfs/dbraw/zinc/62/99/67/816629967.db2.gz PQNSHFNGDFYPJW-UYHMYPTGSA-N 1 0 290.363 3.298 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1nc(-c2ccccc2)cs1 ZINC001223519818 816645913 /nfs/dbraw/zinc/64/59/13/816645913.db2.gz YMHSEKDSIVTPLR-CYBMUJFWSA-N 1 0 291.440 3.421 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OC(F)(F)F)cc1 ZINC001225621205 817115254 /nfs/dbraw/zinc/11/52/54/817115254.db2.gz SDOFWYGZAJDDRW-SNVBAGLBSA-N 1 0 278.294 3.059 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Br)ccc1F ZINC001225797703 817182172 /nfs/dbraw/zinc/18/21/72/817182172.db2.gz FONMWLZRYFBLLX-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001226509830 817379273 /nfs/dbraw/zinc/37/92/73/817379273.db2.gz VSOFQGYVBXLZLD-LBPRGKRZSA-N 1 0 289.355 3.222 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1OC1CC[NH+](C(C)C)CC1 ZINC001226970497 817520201 /nfs/dbraw/zinc/52/02/01/817520201.db2.gz YBRQPZLNKWSKOD-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(OC(F)(F)F)c1 ZINC001227869807 817739495 /nfs/dbraw/zinc/73/94/95/817739495.db2.gz BSLKBPKAUUKVGM-VIFPVBQESA-N 1 0 296.284 3.198 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)c2cccc(F)c2n1 ZINC001228489908 817920450 /nfs/dbraw/zinc/92/04/50/817920450.db2.gz CQHORGFQDAJDRC-GFCCVEGCSA-N 1 0 277.363 3.156 20 5 CGBDRO Cc1cccc2ccc(O[C@@H](C)C[N+](C)(C)C)nc12 ZINC001228633874 817957928 /nfs/dbraw/zinc/95/79/28/817957928.db2.gz RSKCRPMCNYQPRK-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)nc2c(F)cccc12 ZINC001228693272 817974557 /nfs/dbraw/zinc/97/45/57/817974557.db2.gz JKQGEPSXVCWCJZ-LBPRGKRZSA-N 1 0 277.363 3.156 20 5 CGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228756210 817999850 /nfs/dbraw/zinc/99/98/50/817999850.db2.gz MHVMOLXUGKAOMY-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1cc(OC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1 ZINC001228833508 818016183 /nfs/dbraw/zinc/01/61/83/818016183.db2.gz MQIUXILBNLZLRF-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cc(Cl)cnc21 ZINC001233995405 818749593 /nfs/dbraw/zinc/74/95/93/818749593.db2.gz DFIVFPQURKQDCG-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CSc1ccc(F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001234217581 818804308 /nfs/dbraw/zinc/80/43/08/818804308.db2.gz FRHZJWQWTLYKNV-JTQLQIEISA-N 1 0 258.382 3.021 20 5 CGBDRO [NH3+]Cc1cncc(-c2ccc3ccc4cccnc4c3n2)c1 ZINC001239785804 820604666 /nfs/dbraw/zinc/60/46/66/820604666.db2.gz BQYVBNXVRIVRNF-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(C3=CCC[NH2+]C3)nc12 ZINC001240650093 821217557 /nfs/dbraw/zinc/21/75/57/821217557.db2.gz FHMNFEPOBDFKJF-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001474595638 937207544 /nfs/dbraw/zinc/20/75/44/937207544.db2.gz OFIKUYMSOIAPHJ-OTVXOJSOSA-N 1 0 292.379 3.073 20 5 CGBDRO CCCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC001459838469 937503230 /nfs/dbraw/zinc/50/32/30/937503230.db2.gz QVUQZGRXVMBHQT-OAHLLOKOSA-N 1 0 294.395 3.429 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(F)c(C)cc1[N+](=O)[O-] ZINC001229895633 932500318 /nfs/dbraw/zinc/50/03/18/932500318.db2.gz SYLSBIWNIYHRFQ-LLVKDONJSA-N 1 0 284.331 3.151 20 5 CGBDRO CCCOc1ccc(O[C@H](C)C[N+](C)(C)C)c(F)c1F ZINC001229975085 932515181 /nfs/dbraw/zinc/51/51/81/932515181.db2.gz TWXSBQOLJBZAGI-LLVKDONJSA-N 1 0 288.358 3.227 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)n(C2CCCCC2)n1 ZINC001230004097 932519833 /nfs/dbraw/zinc/51/98/33/932519833.db2.gz HVPSZGVMYZXFNQ-AWEZNQCLSA-N 1 0 280.436 3.170 20 5 CGBDRO Cc1ccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001230146494 932537198 /nfs/dbraw/zinc/53/71/98/932537198.db2.gz QGEKKEIJQPWKOC-JOCQHMNTSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1ccc(Cl)c(O[C@H](C)C[N+](C)(C)C)c1C ZINC001230180627 932537840 /nfs/dbraw/zinc/53/78/40/932537840.db2.gz PZGZQNWWHAZAMI-LLVKDONJSA-N 1 0 256.797 3.430 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230768741 932622372 /nfs/dbraw/zinc/62/23/72/932622372.db2.gz QABYIVJFLOGSKV-ZETCQYMHSA-N 1 0 293.150 3.231 20 5 CGBDRO CC[C@@H](C)[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221898 937626386 /nfs/dbraw/zinc/62/63/86/937626386.db2.gz WMNLXIUKIIQDNG-CZUORRHYSA-N 1 0 294.395 3.130 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2C[NH+]3CCC2CC3)c(Cl)c1 ZINC001307229769 932932886 /nfs/dbraw/zinc/93/28/86/932932886.db2.gz GZVRCOMRFNMZNC-LLVKDONJSA-N 1 0 295.770 3.002 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC001307633651 932979110 /nfs/dbraw/zinc/97/91/10/932979110.db2.gz IIKPCBJISKBQAN-CORIIIEPSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC001307854337 933010053 /nfs/dbraw/zinc/01/00/53/933010053.db2.gz YZIJPNXXPGYVAD-LSDHHAIUSA-N 1 0 292.379 3.388 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C/C=C\c2ccccc2)cc1 ZINC001308247557 933079982 /nfs/dbraw/zinc/07/99/82/933079982.db2.gz TVOWLQBTFKKZKS-DAXSKMNVSA-N 1 0 298.342 3.277 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1Cc3ccccc3C1)C2 ZINC001323966016 934445218 /nfs/dbraw/zinc/44/52/18/934445218.db2.gz AQGZYKUFKGQHTI-UHFFFAOYSA-N 1 0 294.354 3.325 20 5 CGBDRO C[NH+](C)CC1(CNc2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC001472754216 937782626 /nfs/dbraw/zinc/78/26/26/937782626.db2.gz ZUYWOWCAIFGPPH-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(C2CCCC2)CC1 ZINC001473202441 937797018 /nfs/dbraw/zinc/79/70/18/937797018.db2.gz MWHGMTYFSUZLAC-UHFFFAOYSA-N 1 0 289.379 3.392 20 5 CGBDRO Cc1cccnc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC001325493365 934915980 /nfs/dbraw/zinc/91/59/80/934915980.db2.gz AUIJSDYYZFVXBX-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1CC2(CC2(F)F)C1 ZINC001327793255 935084535 /nfs/dbraw/zinc/08/45/35/935084535.db2.gz SEFDWTGJFSWDMV-HYXAFXHYSA-N 1 0 294.301 3.385 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC001331499312 935386213 /nfs/dbraw/zinc/38/62/13/935386213.db2.gz RWLIEXMMEJWCRC-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)c(F)c1 ZINC001332437129 935469155 /nfs/dbraw/zinc/46/91/55/935469155.db2.gz VAZRXBNBHYBBDF-GHMZBOCLSA-N 1 0 270.279 3.104 20 5 CGBDRO C[C@H]([NH2+]CCCC(F)F)c1cccc([N+](=O)[O-])c1 ZINC001334040091 936080667 /nfs/dbraw/zinc/08/06/67/936080667.db2.gz HQCCVDSVOSFXDG-VIFPVBQESA-N 1 0 258.268 3.291 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](O)CC(C)(C)C ZINC001474002442 937834994 /nfs/dbraw/zinc/83/49/94/937834994.db2.gz JVTUPWHLEAWCLY-ZDUSSCGKSA-N 1 0 294.395 3.098 20 5 CGBDRO CC(C)(C)CCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001560066333 938243017 /nfs/dbraw/zinc/24/30/17/938243017.db2.gz QYUOOAIAFLGKAQ-INIZCTEOSA-N 1 0 294.395 3.218 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C=CCC1 ZINC001560985787 938288241 /nfs/dbraw/zinc/28/82/41/938288241.db2.gz LKNARWBCVLZHSX-ZIAGYGMSSA-N 1 0 274.364 3.472 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000590779944 346876143 /nfs/dbraw/zinc/87/61/43/346876143.db2.gz JQRMSWZFHHWZCZ-DVOMOZLQSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cs1 ZINC000591062205 346898299 /nfs/dbraw/zinc/89/82/99/346898299.db2.gz XPNUXKPJDJIIKP-GFCCVEGCSA-N 1 0 266.366 3.278 20 5 CGBDRO CC[C@@H](F)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440604499 529553652 /nfs/dbraw/zinc/55/36/52/529553652.db2.gz SXRNZUJUPOJJJD-ZYHUDNBSSA-N 1 0 254.305 3.302 20 5 CGBDRO CC[C@H](C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000350990885 219072668 /nfs/dbraw/zinc/07/26/68/219072668.db2.gz NMXBCSVNRXHGBO-ZDUSSCGKSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1cc(N2CCC([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000301424963 136432093 /nfs/dbraw/zinc/43/20/93/136432093.db2.gz BNBZDOWZYUBOQJ-UHFFFAOYSA-N 1 0 297.786 3.087 20 5 CGBDRO CC[C@@H]1CN([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@H]1[NH3+] ZINC000592488659 346993070 /nfs/dbraw/zinc/99/30/70/346993070.db2.gz KXFWETPNMLOSTP-WOSRLPQWSA-N 1 0 291.395 3.023 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593183520 347048666 /nfs/dbraw/zinc/04/86/66/347048666.db2.gz ZZOQOAXEARACMC-NEPJUHHUSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000593320966 347062327 /nfs/dbraw/zinc/06/23/27/347062327.db2.gz VWHBUJTXBWAKJM-DOMZBBRYSA-N 1 0 297.358 3.282 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000048070724 345060825 /nfs/dbraw/zinc/06/08/25/345060825.db2.gz DZPPQZFCJVQRPM-NSHDSACASA-N 1 0 294.351 3.082 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C(C)C ZINC000063618392 345250520 /nfs/dbraw/zinc/25/05/20/345250520.db2.gz USFAXUZGRZGFKV-CQSZACIVSA-N 1 0 278.352 3.224 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000065208643 345269279 /nfs/dbraw/zinc/26/92/79/345269279.db2.gz LVLLIFTXNLTYGP-UHFFFAOYSA-N 1 0 292.360 3.167 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000065208243 345269344 /nfs/dbraw/zinc/26/93/44/345269344.db2.gz QTWOEAZECOXETI-UHFFFAOYSA-N 1 0 286.331 3.106 20 5 CGBDRO CC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1 ZINC000091461717 345815183 /nfs/dbraw/zinc/81/51/83/345815183.db2.gz FVEFQKVNLDQUQV-UHFFFAOYSA-N 1 0 295.383 3.136 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000090909821 345796978 /nfs/dbraw/zinc/79/69/78/345796978.db2.gz BVHRUWYZUAXSRJ-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO CC(C)[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090910251 345797003 /nfs/dbraw/zinc/79/70/03/345797003.db2.gz FCSHHXMAPIXRTA-HNNXBMFYSA-N 1 0 262.353 3.162 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000096610323 345903655 /nfs/dbraw/zinc/90/36/55/345903655.db2.gz XUKUZAMONKUMRD-LLVKDONJSA-N 1 0 280.368 3.375 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000234057684 346330895 /nfs/dbraw/zinc/33/08/95/346330895.db2.gz IIKPCBJISKBQAN-KYOSRNDESA-N 1 0 278.352 3.061 20 5 CGBDRO CCOc1cc(N[C@H](C)C[N@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000315035561 346482708 /nfs/dbraw/zinc/48/27/08/346482708.db2.gz WXTHCFMRHUPHND-GFCCVEGCSA-N 1 0 295.383 3.134 20 5 CGBDRO CC(C)[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000324295715 346490827 /nfs/dbraw/zinc/49/08/27/346490827.db2.gz SSJPHMBFHWUQDK-GFCCVEGCSA-N 1 0 254.355 3.181 20 5 CGBDRO CC(C)C1([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594506213 347181462 /nfs/dbraw/zinc/18/14/62/347181462.db2.gz MRFBREPMWQUAMZ-ZDUSSCGKSA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)c1 ZINC000594508588 347182334 /nfs/dbraw/zinc/18/23/34/347182334.db2.gz DKHRIUCNTDNCTQ-JKSUJKDBSA-N 1 0 290.363 3.032 20 5 CGBDRO CC[C@H]([NH2+]CC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594508906 347182393 /nfs/dbraw/zinc/18/23/93/347182393.db2.gz DGBSSOPGCHNAOT-AWEZNQCLSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000594508204 347182479 /nfs/dbraw/zinc/18/24/79/347182479.db2.gz SJBQAQNFJRCOES-BXKDBHETSA-N 1 0 284.306 3.463 20 5 CGBDRO C[C@@H](Cc1ccccn1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514211 347184992 /nfs/dbraw/zinc/18/49/92/347184992.db2.gz IEKFVESYTGBTNY-LRDDRELGSA-N 1 0 297.358 3.198 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)Cc1ccccn1 ZINC000594516790 347186843 /nfs/dbraw/zinc/18/68/43/347186843.db2.gz FTMPKLXWPBLNSW-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1[N+](=O)[O-] ZINC000594978467 347247227 /nfs/dbraw/zinc/24/72/27/347247227.db2.gz BXGZOKOXEUOKEH-INIZCTEOSA-N 1 0 298.342 3.386 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594978676 347248052 /nfs/dbraw/zinc/24/80/52/347248052.db2.gz VGTIBDGOIIDMGM-CYBMUJFWSA-N 1 0 284.306 3.428 20 5 CGBDRO CCC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595288156 347286659 /nfs/dbraw/zinc/28/66/59/347286659.db2.gz KPGKUOSPSABZDE-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[NH+](C)CC(C)(C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000308646386 232645262 /nfs/dbraw/zinc/64/52/62/232645262.db2.gz FWNCWAQUJUKJGR-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO CC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006130 347254519 /nfs/dbraw/zinc/25/45/19/347254519.db2.gz HSUZZNQVZPOTDW-VHSXEESVSA-N 1 0 252.314 3.053 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCSCC1 ZINC000595012722 347257045 /nfs/dbraw/zinc/25/70/45/347257045.db2.gz FDUPSKXLOCFXTD-JTQLQIEISA-N 1 0 296.392 3.150 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595016303 347258094 /nfs/dbraw/zinc/25/80/94/347258094.db2.gz WZOLJGZZBMGWST-SECBINFHSA-N 1 0 272.295 3.364 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000595024183 347260447 /nfs/dbraw/zinc/26/04/47/347260447.db2.gz YEYHSFMPDIEOLS-SNVBAGLBSA-N 1 0 276.336 3.197 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000595035943 347265265 /nfs/dbraw/zinc/26/52/65/347265265.db2.gz NSWOLYWZZOTLHS-WDEREUQCSA-N 1 0 278.352 3.443 20 5 CGBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1(F)F ZINC000595081325 347279985 /nfs/dbraw/zinc/27/99/85/347279985.db2.gz RCOULEDODUSELA-DGCLKSJQSA-N 1 0 282.290 3.217 20 5 CGBDRO Cc1noc(C[N@@H+](C)[C@@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595461959 347306471 /nfs/dbraw/zinc/30/64/71/347306471.db2.gz RDQGVLVDVOZZEB-NSHDSACASA-N 1 0 281.356 3.292 20 5 CGBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CCC1CCC1 ZINC000595483363 347310004 /nfs/dbraw/zinc/31/00/04/347310004.db2.gz GKFARRDBLZMCCK-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512459 347314419 /nfs/dbraw/zinc/31/44/19/347314419.db2.gz OELSHNPEWPGRIK-HIFRSBDPSA-N 1 0 296.342 3.027 20 5 CGBDRO Cc1noc(C[N@H+]2CCC[C@]2(C)CC(C)C)c1[N+](=O)[O-] ZINC000595535066 347315866 /nfs/dbraw/zinc/31/58/66/347315866.db2.gz YAXRVYBSWGEZHH-CQSZACIVSA-N 1 0 281.356 3.292 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@H]1COc1c(F)cccc1[N+](=O)[O-] ZINC000596269353 347408056 /nfs/dbraw/zinc/40/80/56/347408056.db2.gz RSUBQSGJJMJDKX-LBPRGKRZSA-N 1 0 296.342 3.376 20 5 CGBDRO CC(C)CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000595829938 347361577 /nfs/dbraw/zinc/36/15/77/347361577.db2.gz BDLODYFFNXZVLW-UHFFFAOYSA-N 1 0 288.351 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000595831646 347362641 /nfs/dbraw/zinc/36/26/41/347362641.db2.gz LNRRBAGTCCRRMF-MRXNPFEDSA-N 1 0 298.342 3.248 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000128508642 187375299 /nfs/dbraw/zinc/37/52/99/187375299.db2.gz OBYHLVXWRHFNGJ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)s1 ZINC000596477795 347464398 /nfs/dbraw/zinc/46/43/98/347464398.db2.gz JZURJAXWPWWWSC-NSHDSACASA-N 1 0 295.408 3.475 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CC(CC2CC2)C1 ZINC000598678505 347678040 /nfs/dbraw/zinc/67/80/40/347678040.db2.gz QXVQADHHXROEPY-HWKANZROSA-N 1 0 272.348 3.340 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599072553 347714331 /nfs/dbraw/zinc/71/43/31/347714331.db2.gz IWOHIXYLWVFFSO-MAZHCROVSA-N 1 0 292.379 3.073 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599072554 347714641 /nfs/dbraw/zinc/71/46/41/347714641.db2.gz IWOHIXYLWVFFSO-WQVCFCJDSA-N 1 0 292.379 3.073 20 5 CGBDRO CC(C)[NH+](CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000103293385 185827575 /nfs/dbraw/zinc/82/75/75/185827575.db2.gz NCAGUPQQVJNVBH-UHFFFAOYSA-N 1 0 266.341 3.092 20 5 CGBDRO CCC[C@H](N[C@H]1CC[C@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600712150 347829981 /nfs/dbraw/zinc/82/99/81/347829981.db2.gz XBDVXEPUHNODFL-NOLJZWGESA-N 1 0 291.395 3.166 20 5 CGBDRO CCC[C@@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000600712739 347829998 /nfs/dbraw/zinc/82/99/98/347829998.db2.gz XQYRTRTWCSMRGI-ARFHVFGLSA-N 1 0 291.395 3.166 20 5 CGBDRO CCC[C@H](N[C@@H]1CC[C@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600712147 347830051 /nfs/dbraw/zinc/83/00/51/347830051.db2.gz XBDVXEPUHNODFL-BJJXKVORSA-N 1 0 291.395 3.166 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC(F)(F)C1 ZINC000600140902 347784312 /nfs/dbraw/zinc/78/43/12/347784312.db2.gz AWFBXFNHYOIJND-SNVBAGLBSA-N 1 0 284.306 3.161 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cccc([C@@H]2CC[NH2+]C2)c1 ZINC000600790547 347836690 /nfs/dbraw/zinc/83/66/90/347836690.db2.gz SIOHXMPSBTVPST-CYBMUJFWSA-N 1 0 286.306 3.478 20 5 CGBDRO Cc1ccc(-c2ccc([C@@H]3COCC[NH2+]3)cc2)cc1[N+](=O)[O-] ZINC000600790645 347836707 /nfs/dbraw/zinc/83/67/07/347836707.db2.gz LYRCUBCSENFRSA-INIZCTEOSA-N 1 0 298.342 3.231 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000601229509 347883146 /nfs/dbraw/zinc/88/31/46/347883146.db2.gz SCJCUUMWFHSLMW-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO CC[C@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602502562 347971182 /nfs/dbraw/zinc/97/11/82/347971182.db2.gz HBNYFFAVXOKHJF-LURJTMIESA-N 1 0 293.186 3.307 20 5 CGBDRO Cc1cccc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000602651593 348001438 /nfs/dbraw/zinc/00/14/38/348001438.db2.gz SXJVJUHHUSVCSN-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000602701376 348012878 /nfs/dbraw/zinc/01/28/78/348012878.db2.gz QDORHLZSQCTIKN-JTQLQIEISA-N 1 0 272.295 3.018 20 5 CGBDRO Cc1noc(C[N@@H+]2CC[C@@]2(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000603029739 348054787 /nfs/dbraw/zinc/05/47/87/348054787.db2.gz MYGZJRJCKFFLLS-HNNXBMFYSA-N 1 0 293.367 3.436 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610372172 348380494 /nfs/dbraw/zinc/38/04/94/348380494.db2.gz HFMIRNIDGDQVOP-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H](Nc1ccsc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000610726102 348399490 /nfs/dbraw/zinc/39/94/90/348399490.db2.gz RJJLNJZHPFEKLO-SECBINFHSA-N 1 0 271.386 3.045 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCCOC(C)C ZINC000273415353 192143593 /nfs/dbraw/zinc/14/35/93/192143593.db2.gz INJCCCJRIAWGFD-UHFFFAOYSA-N 1 0 280.368 3.150 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000612577391 348529342 /nfs/dbraw/zinc/52/93/42/348529342.db2.gz DWMXOFVWIMVMHC-HNNXBMFYSA-N 1 0 260.337 3.278 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC=CCC1 ZINC000615837605 348768142 /nfs/dbraw/zinc/76/81/42/348768142.db2.gz IOPOHRDBYDVGQO-RAXLEYEMSA-N 1 0 258.321 3.260 20 5 CGBDRO CCN(CCC[NH+](CC)CC)c1sccc1[N+](=O)[O-] ZINC000615945807 348777080 /nfs/dbraw/zinc/77/70/80/348777080.db2.gz IWKPSYBIBDQIEA-UHFFFAOYSA-N 1 0 285.413 3.215 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CCO)CCC2)cc1[N+](=O)[O-] ZINC000358293048 233100782 /nfs/dbraw/zinc/10/07/82/233100782.db2.gz IBBGTFVPJPVCCP-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO CO[C@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000339531131 215233256 /nfs/dbraw/zinc/23/32/56/215233256.db2.gz QQIQRJOZKMWBFP-OQRGYWNNSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271370220 191101841 /nfs/dbraw/zinc/10/18/41/191101841.db2.gz JNNYOTPDHNQGPK-HXINVUTJSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000271474759 191159260 /nfs/dbraw/zinc/15/92/60/191159260.db2.gz ZXRLALVXFXFHBS-JHJVBQTASA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1nc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000271497703 191174974 /nfs/dbraw/zinc/17/49/74/191174974.db2.gz LSOFRKOGLNIMAH-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO COCC[C@@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000364162451 234025812 /nfs/dbraw/zinc/02/58/12/234025812.db2.gz XIZJHMUNAWZVKF-AWEZNQCLSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000271518924 191189268 /nfs/dbraw/zinc/18/92/68/191189268.db2.gz OBNNMOABFJSACK-GHMZBOCLSA-N 1 0 274.324 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000366506331 234172973 /nfs/dbraw/zinc/17/29/73/234172973.db2.gz NYKQVXPIVCFGAJ-UHFFFAOYSA-N 1 0 275.352 3.024 20 5 CGBDRO CC[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152206122 188002115 /nfs/dbraw/zinc/00/21/15/188002115.db2.gz RABMPQGVPYMHNW-RYUDHWBXSA-N 1 0 250.342 3.304 20 5 CGBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154329552 188135848 /nfs/dbraw/zinc/13/58/48/188135848.db2.gz PMIUBBDARXUXNF-HOTGVXAUSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154329662 188135867 /nfs/dbraw/zinc/13/58/67/188135867.db2.gz PMIUBBDARXUXNF-CVEARBPZSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)C[C@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154682168 188156519 /nfs/dbraw/zinc/15/65/19/188156519.db2.gz GBRRGFBUVKBHSN-KBPBESRZSA-N 1 0 294.395 3.290 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCCC2CC[NH+](C)CC2)c1 ZINC000088717100 138342856 /nfs/dbraw/zinc/34/28/56/138342856.db2.gz BJEUIKHOIPKKTJ-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO COc1ccc(C[NH2+]CC2(C)CCCC2)cc1[N+](=O)[O-] ZINC000108881096 138360980 /nfs/dbraw/zinc/36/09/80/138360980.db2.gz QAECNXVSMFQLLR-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO C[C@H]([NH3+])[C@H](C)N[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423451396 236074591 /nfs/dbraw/zinc/07/45/91/236074591.db2.gz UXGWWBOTRDBJTO-DCGLDWPTSA-N 1 0 299.374 3.010 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000294834461 199204638 /nfs/dbraw/zinc/20/46/38/199204638.db2.gz QGNRWCIRZWLPKK-SWLSCSKDSA-N 1 0 292.379 3.073 20 5 CGBDRO COC[C@]1(C)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843840 200013122 /nfs/dbraw/zinc/01/31/22/200013122.db2.gz SVHCKWUZVSXTLR-IUODEOHRSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@@]12CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@@H]1C2(F)F ZINC000298207960 200360618 /nfs/dbraw/zinc/36/06/18/200360618.db2.gz DEFASUHBWXUTOV-UONOGXRCSA-N 1 0 296.317 3.114 20 5 CGBDRO CC[C@H]([NH2+]CCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000178010427 189085432 /nfs/dbraw/zinc/08/54/32/189085432.db2.gz HGJNHYGMMINMKZ-HNNXBMFYSA-N 1 0 278.352 3.062 20 5 CGBDRO CC/C=C/CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342196254 216257311 /nfs/dbraw/zinc/25/73/11/216257311.db2.gz FFNJIJMIEPRYAC-ONEGZZNKSA-N 1 0 260.337 3.309 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342222242 216267767 /nfs/dbraw/zinc/26/77/67/216267767.db2.gz KZIHYBZEUCJGNC-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CC[N@H+](CCNc1cc(C)ccc1[N+](=O)[O-])C(C)C ZINC000301568547 201072753 /nfs/dbraw/zinc/07/27/53/201072753.db2.gz NDXPFIQAPUTJKP-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1cc(NCC[N@@H+](C)C(C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301594974 201086939 /nfs/dbraw/zinc/08/69/39/201086939.db2.gz YRFZYQVTZWFGPM-UHFFFAOYSA-N 1 0 285.775 3.309 20 5 CGBDRO C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000301998009 201291649 /nfs/dbraw/zinc/29/16/49/201291649.db2.gz QLOJARRBYNVWCR-SJORKVTESA-N 1 0 297.358 3.452 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1 ZINC000449063658 239152277 /nfs/dbraw/zinc/15/22/77/239152277.db2.gz NMFRUWYWBQTADS-CYBMUJFWSA-N 1 0 270.332 3.316 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC=CCC1 ZINC000449160676 239212879 /nfs/dbraw/zinc/21/28/79/239212879.db2.gz MKGOHLCKEFGMJP-OCCSQVGLSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000449259757 239275997 /nfs/dbraw/zinc/27/59/97/239275997.db2.gz SMYLWFZBMMFLKW-OCCSQVGLSA-N 1 0 292.379 3.073 20 5 CGBDRO COCCCC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548037 240324607 /nfs/dbraw/zinc/32/46/07/240324607.db2.gz MBJLLSYGXXNNCP-OAHLLOKOSA-N 1 0 292.379 3.201 20 5 CGBDRO COc1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000451578199 240329722 /nfs/dbraw/zinc/32/97/22/240329722.db2.gz GQHWOJNKTSNMSM-OKILXGFUSA-N 1 0 290.363 3.225 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000186803222 283936368 /nfs/dbraw/zinc/93/63/68/283936368.db2.gz PNTKOSFABCHBKY-ARFHVFGLSA-N 1 0 292.379 3.329 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000459631680 242154984 /nfs/dbraw/zinc/15/49/84/242154984.db2.gz KDQCSXDJQPBIRK-YUELXQCFSA-N 1 0 292.379 3.073 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000275882577 193155546 /nfs/dbraw/zinc/15/55/46/193155546.db2.gz QOSHPMCOWWTVIH-SLEUVZQESA-N 1 0 278.352 3.013 20 5 CGBDRO CCOC(C)(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468588528 242648944 /nfs/dbraw/zinc/64/89/44/242648944.db2.gz JCDJDVJNAPZXIR-LCYFTJDESA-N 1 0 292.379 3.403 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738475 369102280 /nfs/dbraw/zinc/10/22/80/369102280.db2.gz NMNNHYURAIPRBE-SWLSCSKDSA-N 1 0 278.352 3.062 20 5 CGBDRO C[N@H+](CCCNc1ccncc1[N+](=O)[O-])C1CCCCC1 ZINC000037901391 369124357 /nfs/dbraw/zinc/12/43/57/369124357.db2.gz CLCUSISRWLFZGO-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC[NH+]1CCC(C)CC1 ZINC000040772431 369163316 /nfs/dbraw/zinc/16/33/16/369163316.db2.gz KGFPVRMLAZZLOT-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@@H](C)C1CCCCC1 ZINC000330844626 203304829 /nfs/dbraw/zinc/30/48/29/203304829.db2.gz JWDXJRBQAHCBTC-NEPJUHHUSA-N 1 0 294.399 3.023 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000049574665 369410777 /nfs/dbraw/zinc/41/07/77/369410777.db2.gz XWSNGVOTKGZXFZ-AWEZNQCLSA-N 1 0 291.395 3.040 20 5 CGBDRO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163625 369430169 /nfs/dbraw/zinc/43/01/69/369430169.db2.gz XUFUJUSZBUXOCK-VHSXEESVSA-N 1 0 283.759 3.048 20 5 CGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988756 369446579 /nfs/dbraw/zinc/44/65/79/369446579.db2.gz GFWIEAOAVNONFJ-UHFFFAOYSA-N 1 0 260.337 3.215 20 5 CGBDRO CC(C)n1cncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090208574 370059708 /nfs/dbraw/zinc/05/97/08/370059708.db2.gz IVAGZGSHTQMETC-GFCCVEGCSA-N 1 0 288.351 3.223 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000090535756 370061670 /nfs/dbraw/zinc/06/16/70/370061670.db2.gz MZYRVKYZXZHABW-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=Cc3ccccc3OC2)cc1 ZINC000102424985 370304491 /nfs/dbraw/zinc/30/44/91/370304491.db2.gz SWAQRNHRUAKQEW-UHFFFAOYSA-N 1 0 296.326 3.160 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000344002113 217010617 /nfs/dbraw/zinc/01/06/17/217010617.db2.gz IAKYKMQFWFHEOS-AWEZNQCLSA-N 1 0 260.337 3.135 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000124807671 296163728 /nfs/dbraw/zinc/16/37/28/296163728.db2.gz UHZJUMZMILBMQT-BQDHKBFISA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000134471872 371340251 /nfs/dbraw/zinc/34/02/51/371340251.db2.gz OHYUCQGBIWADNV-INIZCTEOSA-N 1 0 294.395 3.359 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841355 371836307 /nfs/dbraw/zinc/83/63/07/371836307.db2.gz KFVNRLASDIJEKP-IUODEOHRSA-N 1 0 280.368 3.139 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344099084 217050193 /nfs/dbraw/zinc/05/01/93/217050193.db2.gz NAFIBGNOCJHZKH-CYBMUJFWSA-N 1 0 290.363 3.225 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000290570174 372019330 /nfs/dbraw/zinc/01/93/30/372019330.db2.gz SZYMMPXTVUOEDD-RCCFBDPRSA-N 1 0 294.354 3.331 20 5 CGBDRO CC[N@H+](CCc1nccs1)Cc1ccccc1[N+](=O)[O-] ZINC000159175807 372112187 /nfs/dbraw/zinc/11/21/87/372112187.db2.gz BGFAUGNFZXXJND-UHFFFAOYSA-N 1 0 291.376 3.116 20 5 CGBDRO COC1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000293069588 372292468 /nfs/dbraw/zinc/29/24/68/372292468.db2.gz VHFSIPNGYLVTAS-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)C1CC1 ZINC000293439155 372382917 /nfs/dbraw/zinc/38/29/17/372382917.db2.gz JVQFHFFGQJDGLT-UHFFFAOYSA-N 1 0 274.242 3.208 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000163164172 372449818 /nfs/dbraw/zinc/44/98/18/372449818.db2.gz XEGMNEXWIKAKII-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000293705439 372455436 /nfs/dbraw/zinc/45/54/36/372455436.db2.gz PITPUCZLVZDHMJ-GFCCVEGCSA-N 1 0 286.759 3.153 20 5 CGBDRO CC[C@@H]([NH2+]CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164131511 372507548 /nfs/dbraw/zinc/50/75/48/372507548.db2.gz KESOPDIJISMWBA-CQSZACIVSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294016386 372554967 /nfs/dbraw/zinc/55/49/67/372554967.db2.gz DPSYABYTPHJDSG-RNCFNFMXSA-N 1 0 263.341 3.016 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1CCOCC1 ZINC000172007472 372881871 /nfs/dbraw/zinc/88/18/71/372881871.db2.gz IUQZEDMPSDBBSE-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCOC1 ZINC000344848746 217333119 /nfs/dbraw/zinc/33/31/19/217333119.db2.gz AJFCCNLVWXLKQE-XETPBLJFSA-N 1 0 290.363 3.014 20 5 CGBDRO CO[C@@H](C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344860383 217336105 /nfs/dbraw/zinc/33/61/05/217336105.db2.gz ISCMNAKYLMSXRT-SRXBQZRASA-N 1 0 278.352 3.013 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000444872126 373284947 /nfs/dbraw/zinc/28/49/47/373284947.db2.gz JWDCFTVXCKXPJX-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000353622139 220200370 /nfs/dbraw/zinc/20/03/70/220200370.db2.gz LQTWQMDGMUSKJR-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000300412786 373628636 /nfs/dbraw/zinc/62/86/36/373628636.db2.gz VYJKDUQFLZLTHD-KKUMJFAQSA-N 1 0 292.379 3.449 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301184700 373685011 /nfs/dbraw/zinc/68/50/11/373685011.db2.gz JJJROVLNWCADJH-GFCCVEGCSA-N 1 0 275.352 3.024 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)C1CC1 ZINC000449446044 373723864 /nfs/dbraw/zinc/72/38/64/373723864.db2.gz NMUQKENRSSKHIE-OBIHZWKSSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000301368200 373762580 /nfs/dbraw/zinc/76/25/80/373762580.db2.gz TVSPXTDJCDTUAE-SNVBAGLBSA-N 1 0 283.347 3.122 20 5 CGBDRO CC[C@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000301760628 373802474 /nfs/dbraw/zinc/80/24/74/373802474.db2.gz BJCSQWIIDQEEFO-SNVBAGLBSA-N 1 0 299.321 3.159 20 5 CGBDRO CCc1cc(N(C)Cc2ccccc2[N+](=O)[O-])cc[nH+]1 ZINC000450241422 374016565 /nfs/dbraw/zinc/01/65/65/374016565.db2.gz LJCQTGGFXFOQKR-UHFFFAOYSA-N 1 0 271.320 3.189 20 5 CGBDRO CC(C)C[C@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000305973504 374124013 /nfs/dbraw/zinc/12/40/13/374124013.db2.gz QFYJTVDNLINRIU-LBPRGKRZSA-N 1 0 250.342 3.367 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000311461459 374242738 /nfs/dbraw/zinc/24/27/38/374242738.db2.gz VUTQDUCEFNDECR-SNVBAGLBSA-N 1 0 285.775 3.389 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000313709475 374304560 /nfs/dbraw/zinc/30/45/60/374304560.db2.gz DVUDHUXRUDJKHY-YDHLFZDLSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453337799 374429162 /nfs/dbraw/zinc/42/91/62/374429162.db2.gz ZYZQDHNGVVLFDJ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC1(CC)CCC[N@H+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000331561674 374542652 /nfs/dbraw/zinc/54/26/52/374542652.db2.gz CMSKBRIWTOMOCZ-UHFFFAOYSA-N 1 0 294.399 3.121 20 5 CGBDRO C[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000187612753 375055128 /nfs/dbraw/zinc/05/51/28/375055128.db2.gz VESZGCSRPVYATG-VZAMPYOESA-N 1 0 292.379 3.043 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@H](C)O1 ZINC000190428607 375509808 /nfs/dbraw/zinc/50/98/08/375509808.db2.gz YYTLDUSHHVAZLI-BBRMVZONSA-N 1 0 292.379 3.373 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccccc2)c(F)c1 ZINC000336842173 376005431 /nfs/dbraw/zinc/00/54/31/376005431.db2.gz UDWVWCQARHKQKR-UHFFFAOYSA-N 1 0 274.295 3.066 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000536841209 376135164 /nfs/dbraw/zinc/13/51/64/376135164.db2.gz YFDWFDIEZMEUGY-CHWSQXEVSA-N 1 0 294.395 3.351 20 5 CGBDRO COC[C@H](CC(C)C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536874447 376139927 /nfs/dbraw/zinc/13/99/27/376139927.db2.gz DCSUGPBZJPOZKN-OCCSQVGLSA-N 1 0 280.368 3.307 20 5 CGBDRO CC[C@H]([NH2+]CCC[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222594095 376238767 /nfs/dbraw/zinc/23/87/67/376238767.db2.gz XXJZUYFTMSLVPB-DOMZBBRYSA-N 1 0 280.368 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ncc(Cl)s2)cc1 ZINC000225339176 376303265 /nfs/dbraw/zinc/30/32/65/376303265.db2.gz ZAEJPFBNJXHDND-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000541073099 376418916 /nfs/dbraw/zinc/41/89/16/376418916.db2.gz YQNIYONJFSPZQJ-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO CCC[N@H+](CC)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000228770368 376446904 /nfs/dbraw/zinc/44/69/04/376446904.db2.gz CFJRHLRMWAXXQF-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO C[C@@H](C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC000544440354 376738013 /nfs/dbraw/zinc/73/80/13/376738013.db2.gz HOUIBTRAMTUECU-ZDUSSCGKSA-N 1 0 297.358 3.152 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000245774721 376905340 /nfs/dbraw/zinc/90/53/40/376905340.db2.gz OMQODYLKIWLXBY-DANNLKNASA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000556921608 376905842 /nfs/dbraw/zinc/90/58/42/376905842.db2.gz QCXJXWLCTNPOON-MELADBBJSA-N 1 0 292.379 3.226 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cs1 ZINC000247336585 377195883 /nfs/dbraw/zinc/19/58/83/377195883.db2.gz FWDPOVFYRFGMJB-NWDGAFQWSA-N 1 0 266.366 3.421 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247089081 377157746 /nfs/dbraw/zinc/15/77/46/377157746.db2.gz RMHMTGNPPLNAQD-ZIAGYGMSSA-N 1 0 293.411 3.284 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CCCF)c2cc([N+](=O)[O-])ccc21 ZINC000562415953 377306803 /nfs/dbraw/zinc/30/68/03/377306803.db2.gz YDHKSYMXTXEAEG-ZDUSSCGKSA-N 1 0 266.316 3.266 20 5 CGBDRO CCCCOCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516979541 249253440 /nfs/dbraw/zinc/25/34/40/249253440.db2.gz OLMQSFFKGWYSQS-OAHLLOKOSA-N 1 0 292.379 3.379 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2NCc1cnc(C2CC2)o1 ZINC000574339418 377649623 /nfs/dbraw/zinc/64/96/23/377649623.db2.gz QNYYCRXTALPREL-CQSZACIVSA-N 1 0 299.330 3.237 20 5 CGBDRO CCC[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000252729500 377656505 /nfs/dbraw/zinc/65/65/05/377656505.db2.gz GYWFJLLTIBONFO-FVQBIDKESA-N 1 0 292.379 3.329 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC(F)(F)F ZINC000574703519 377698788 /nfs/dbraw/zinc/69/87/88/377698788.db2.gz OQPUHCDBRIVRPO-JTQLQIEISA-N 1 0 274.242 3.124 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747085 377770871 /nfs/dbraw/zinc/77/08/71/377770871.db2.gz XLIWFQVFTUOKHN-UONOGXRCSA-N 1 0 292.379 3.404 20 5 CGBDRO CCCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCO ZINC000255911673 377787951 /nfs/dbraw/zinc/78/79/51/377787951.db2.gz JTVRZQHTBKQTDE-CLFYSBASSA-N 1 0 292.379 3.093 20 5 CGBDRO CCC[N@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])C(C)C ZINC000578453393 378071868 /nfs/dbraw/zinc/07/18/68/378071868.db2.gz RGWUUQWRHRICLV-UHFFFAOYSA-N 1 0 296.367 3.232 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000268889176 378144030 /nfs/dbraw/zinc/14/40/30/378144030.db2.gz NNOBVYOOOOZERM-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000270598568 378373350 /nfs/dbraw/zinc/37/33/50/378373350.db2.gz AEXDPFDDOIFZGF-UKRRQHHQSA-N 1 0 292.379 3.278 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)C)c([N+](=O)[O-])cc1OC ZINC000271054456 378441720 /nfs/dbraw/zinc/44/17/20/378441720.db2.gz SCQFVDQETJSMAL-NSHDSACASA-N 1 0 296.367 3.088 20 5 CGBDRO CCCC[N@H+](CCCO)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271700572 378501393 /nfs/dbraw/zinc/50/13/93/378501393.db2.gz HHSNQICXQMFEPP-CYBMUJFWSA-N 1 0 280.368 3.140 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCOC2CCC2)cc1[N+](=O)[O-] ZINC000272178277 378578948 /nfs/dbraw/zinc/57/89/48/378578948.db2.gz FINZSXFETZGZPE-LBPRGKRZSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000272586125 378671893 /nfs/dbraw/zinc/67/18/93/378671893.db2.gz WTBFDYRJSGBANW-MELADBBJSA-N 1 0 292.379 3.200 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000347352417 218202054 /nfs/dbraw/zinc/20/20/54/218202054.db2.gz DDVJITMVCCOZRY-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277252721 379109919 /nfs/dbraw/zinc/10/99/19/379109919.db2.gz VXZTUTPIQKZUOE-GFCCVEGCSA-N 1 0 297.786 3.169 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000374007265 379362654 /nfs/dbraw/zinc/36/26/54/379362654.db2.gz DOPOQVDMQASGOD-CYBMUJFWSA-N 1 0 272.304 3.177 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC=C(c2cccnc2)C1 ZINC000347734136 218339438 /nfs/dbraw/zinc/33/94/38/218339438.db2.gz YKZRSUMNNUEYOI-UHFFFAOYSA-N 1 0 295.342 3.279 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(c3cccnc3)C2)cc1 ZINC000347715112 218332295 /nfs/dbraw/zinc/33/22/95/218332295.db2.gz FLAGJNPLFNILNR-UHFFFAOYSA-N 1 0 295.342 3.279 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000352545951 379853280 /nfs/dbraw/zinc/85/32/80/379853280.db2.gz NROQZSBHJZTZJI-UONOGXRCSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000394265997 379918564 /nfs/dbraw/zinc/91/85/64/379918564.db2.gz JAQRJUFCAVYGDX-WAZAZEMKSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000387953280 379880377 /nfs/dbraw/zinc/88/03/77/379880377.db2.gz MXKBHSTZKMFKFD-IACUBPJLSA-N 1 0 260.337 3.181 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccccc1)CCO2 ZINC000352620107 379880452 /nfs/dbraw/zinc/88/04/52/379880452.db2.gz AIKAKTPRTOXAPJ-UHFFFAOYSA-N 1 0 298.342 3.032 20 5 CGBDRO Cc1ncc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)s1 ZINC000282503638 379934254 /nfs/dbraw/zinc/93/42/54/379934254.db2.gz RFBGAIXVLZNUIR-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO COc1cc(C[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000352770721 379949709 /nfs/dbraw/zinc/94/97/09/379949709.db2.gz TYVSGQUNYAUWPL-UHFFFAOYSA-N 1 0 266.341 3.222 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000282937226 380013807 /nfs/dbraw/zinc/01/38/07/380013807.db2.gz YRZDASOANAXUFX-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353116190 380121900 /nfs/dbraw/zinc/12/19/00/380121900.db2.gz ZXRDYGRONURJQT-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NC1CC[NH+](CC2CC2)CC1 ZINC000286436177 380213231 /nfs/dbraw/zinc/21/32/31/380213231.db2.gz QLUNQBXENVOMSI-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414498963 380273984 /nfs/dbraw/zinc/27/39/84/380273984.db2.gz NUULINKWSQRUHL-BSLIBVBRSA-N 1 0 292.404 3.482 20 5 CGBDRO CCC([NH3+])(CC)CNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414799226 380412893 /nfs/dbraw/zinc/41/28/93/380412893.db2.gz GDSMWGUPRKNNPD-UHFFFAOYSA-N 1 0 293.411 3.325 20 5 CGBDRO C[NH2+]Cc1ccccc1NCc1ccc([N+](=O)[O-])cc1C ZINC000414859657 380460468 /nfs/dbraw/zinc/46/04/68/380460468.db2.gz BJPGZPYMCLBDPS-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO CC[NH2+]Cc1ccccc1NCc1ccc([N+](=O)[O-])cc1 ZINC000414867363 380465125 /nfs/dbraw/zinc/46/51/25/380465125.db2.gz NJQXCIDHTTUMGF-UHFFFAOYSA-N 1 0 285.347 3.316 20 5 CGBDRO CCOC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000355182520 380612773 /nfs/dbraw/zinc/61/27/73/380612773.db2.gz VFPLSXSBSWAWMU-LSDHHAIUSA-N 1 0 292.379 3.198 20 5 CGBDRO CO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000419279947 380792587 /nfs/dbraw/zinc/79/25/87/380792587.db2.gz IQCOBXGHCOUZHH-ZDUSSCGKSA-N 1 0 294.395 3.481 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000348334107 218579768 /nfs/dbraw/zinc/57/97/68/218579768.db2.gz NSUFZMGCLORQLL-TUAOUCFPSA-N 1 0 266.316 3.444 20 5 CGBDRO CC(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000359992964 381402607 /nfs/dbraw/zinc/40/26/07/381402607.db2.gz PTBRLGNBZLGXIK-UHFFFAOYSA-N 1 0 256.733 3.336 20 5 CGBDRO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000361616777 381839528 /nfs/dbraw/zinc/83/95/28/381839528.db2.gz PMSAJCDEERMJBM-PHIMTYICSA-N 1 0 296.342 3.220 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672644 382246202 /nfs/dbraw/zinc/24/62/02/382246202.db2.gz KGEBBZHUWDPQNR-DZGCQCFKSA-N 1 0 292.379 3.465 20 5 CGBDRO COC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449345426 533003489 /nfs/dbraw/zinc/00/34/89/533003489.db2.gz IDQVJOBWNJQOOG-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H](C)OC ZINC000361566149 285100279 /nfs/dbraw/zinc/10/02/79/285100279.db2.gz RWEOLVGIQCYLSE-JTQLQIEISA-N 1 0 286.759 3.105 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000453247851 285146822 /nfs/dbraw/zinc/14/68/22/285146822.db2.gz PCIXSYFLRKAETI-NOLJZWGESA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CC2 ZINC000424319536 285161247 /nfs/dbraw/zinc/16/12/47/285161247.db2.gz ILNXZSAGAZHRLO-JGGQBBKZSA-N 1 0 286.375 3.448 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000449066485 533499473 /nfs/dbraw/zinc/49/94/73/533499473.db2.gz CEYSESQKTDGMRA-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000191669648 130274122 /nfs/dbraw/zinc/27/41/22/130274122.db2.gz HOJXEHOKJJQCJT-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO CSCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192880282 130557327 /nfs/dbraw/zinc/55/73/27/130557327.db2.gz XPJGHHZGOCNAPN-AWEZNQCLSA-N 1 0 280.393 3.315 20 5 CGBDRO COc1ccc(C[N@H+](CC(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000051735417 392074511 /nfs/dbraw/zinc/07/45/11/392074511.db2.gz OXOIWINEFOTISC-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1ccc(C[N@H+](C)Cc2ccccc2)cc1[N+](=O)[O-] ZINC000051122464 392067886 /nfs/dbraw/zinc/06/78/86/392067886.db2.gz FAYAWOPWNADAIT-UHFFFAOYSA-N 1 0 286.331 3.235 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H](C)C1 ZINC000361647219 392284804 /nfs/dbraw/zinc/28/48/04/392284804.db2.gz XJMJSNXEUIIKPL-DZGCQCFKSA-N 1 0 292.379 3.232 20 5 CGBDRO C[C@@H]1C[C@H](C)CN1Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509671983 392765812 /nfs/dbraw/zinc/76/58/12/392765812.db2.gz SDJBZPVMYYRLLA-DTWKUNHWSA-N 1 0 270.279 3.103 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192615058 392855592 /nfs/dbraw/zinc/85/55/92/392855592.db2.gz SSVLCDVNVFGUDA-BONVTDFDSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525640071 392944823 /nfs/dbraw/zinc/94/48/23/392944823.db2.gz NXQDHPCRDZHERJ-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCSC1 ZINC000468636940 393156510 /nfs/dbraw/zinc/15/65/10/393156510.db2.gz FXMHLSLIHZYWNE-YLBKJLTLSA-N 1 0 278.377 3.093 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@@H]1CCCO1 ZINC000470174509 393228973 /nfs/dbraw/zinc/22/89/73/393228973.db2.gz LKZDDLRNJAZMIJ-WQMJKPAKSA-N 1 0 290.363 3.109 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000470175713 393229684 /nfs/dbraw/zinc/22/96/84/393229684.db2.gz FKLJLQCFKDHMKU-INDWDQIESA-N 1 0 278.327 3.432 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353810349 393233348 /nfs/dbraw/zinc/23/33/48/393233348.db2.gz CYPZEGDCPXETMJ-VCTAVGKDSA-N 1 0 260.337 3.360 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000471798824 393307529 /nfs/dbraw/zinc/30/75/29/393307529.db2.gz NYGNCYWGSDKBIV-MEJTZIMASA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000278846050 393327233 /nfs/dbraw/zinc/32/72/33/393327233.db2.gz VDEKYCNSVLRKNR-ZUZCIYMTSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCCO)CC1 ZINC000273031424 393269049 /nfs/dbraw/zinc/26/90/49/393269049.db2.gz UKPCKZYSPOVZRI-CYBMUJFWSA-N 1 0 292.379 3.140 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000475151587 393378061 /nfs/dbraw/zinc/37/80/61/393378061.db2.gz QWSFYGCBQZPETJ-AGIUHOORSA-N 1 0 292.379 3.470 20 5 CGBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722571 393413676 /nfs/dbraw/zinc/41/36/76/393413676.db2.gz HPMCQGZJOXPBRC-FRRDWIJNSA-N 1 0 262.353 3.461 20 5 CGBDRO [NH3+][C@@H]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280318 393448970 /nfs/dbraw/zinc/44/89/70/393448970.db2.gz LAENBFJYLZYDRR-MWLCHTKSSA-N 1 0 283.759 3.178 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@H](C)C1 ZINC000430209010 393539873 /nfs/dbraw/zinc/53/98/73/393539873.db2.gz WFVQXJLFSPDOLG-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H](N[C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263741 393658149 /nfs/dbraw/zinc/65/81/49/393658149.db2.gz OUWQXTUPCOKTSK-HIFRSBDPSA-N 1 0 279.384 3.009 20 5 CGBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433237107 393701744 /nfs/dbraw/zinc/70/17/44/393701744.db2.gz UCAWEWWISUDUTK-PGUXBMHVSA-N 1 0 292.379 3.066 20 5 CGBDRO CCC(=O)CCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000450499403 394006311 /nfs/dbraw/zinc/00/63/11/394006311.db2.gz KMFYVEWHRVOSPY-UHFFFAOYSA-N 1 0 290.363 3.319 20 5 CGBDRO CCC1C[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000453610743 394257404 /nfs/dbraw/zinc/25/74/04/394257404.db2.gz YMTVCEOHIMUYAJ-GHXNOFRVSA-N 1 0 260.337 3.340 20 5 CGBDRO COc1cc(C[NH2+][C@@H](C)CC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000453600595 394254869 /nfs/dbraw/zinc/25/48/69/394254869.db2.gz MGJAYKYVRDDBMJ-JTQLQIEISA-N 1 0 296.367 3.223 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000548935090 289029620 /nfs/dbraw/zinc/02/96/20/289029620.db2.gz BBSFFBJJISGDGT-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000512203352 292297017 /nfs/dbraw/zinc/29/70/17/292297017.db2.gz OCSXCOHQOPTFJA-SUNKGSAMSA-N 1 0 280.393 3.305 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000076149973 165110873 /nfs/dbraw/zinc/11/08/73/165110873.db2.gz FXIBYLQJMWYRRZ-UWVGGRQHSA-N 1 0 254.355 3.277 20 5 CGBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000077322710 165119462 /nfs/dbraw/zinc/11/94/62/165119462.db2.gz RDPDFWBMFBDPSK-UHFFFAOYSA-N 1 0 292.379 3.027 20 5 CGBDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000083247693 165173361 /nfs/dbraw/zinc/17/33/61/165173361.db2.gz XGXDDATZKFNWNG-MRXNPFEDSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(C)noc1C)c1cccc([N+](=O)[O-])c1 ZINC000092328680 165289798 /nfs/dbraw/zinc/28/97/98/165289798.db2.gz SFDOCIKCDQTEGG-HNNXBMFYSA-N 1 0 289.335 3.441 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000094948881 165395799 /nfs/dbraw/zinc/39/57/99/165395799.db2.gz DUNYPIWWMSTWBI-XJKSGUPXSA-N 1 0 294.395 3.434 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228069930 165759930 /nfs/dbraw/zinc/75/99/30/165759930.db2.gz RELSPTATKJLYQY-JMSVASOKSA-N 1 0 280.368 3.185 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000119876788 287175042 /nfs/dbraw/zinc/17/50/42/287175042.db2.gz DCQGILMJPRVKHB-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020131510 171020152 /nfs/dbraw/zinc/02/01/52/171020152.db2.gz IZDQPLMHLSIXNQ-JTQLQIEISA-N 1 0 260.337 3.434 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000020560152 171251628 /nfs/dbraw/zinc/25/16/28/171251628.db2.gz OZTWVOYCUUPUMW-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1 ZINC000021040952 171293379 /nfs/dbraw/zinc/29/33/79/171293379.db2.gz GZVFBNMBVKQULT-CYBMUJFWSA-N 1 0 277.368 3.271 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccccc2F)cccc1[N+](=O)[O-] ZINC000035648756 172325291 /nfs/dbraw/zinc/32/52/91/172325291.db2.gz WIVBKZNFCAGPSB-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000285430044 196282795 /nfs/dbraw/zinc/28/27/95/196282795.db2.gz HLKBASOKNVXPOQ-WDEREUQCSA-N 1 0 298.770 3.010 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000078542589 177351982 /nfs/dbraw/zinc/35/19/82/177351982.db2.gz HJAWKKAQUXLYSH-ZDUSSCGKSA-N 1 0 283.759 3.000 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000619747741 418934004 /nfs/dbraw/zinc/93/40/04/418934004.db2.gz IJCXXWRPLTYKLX-UHFFFAOYSA-N 1 0 294.248 3.412 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402085764 260240244 /nfs/dbraw/zinc/24/02/44/260240244.db2.gz XRISFILGUYFQRW-WHOFXGATSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000393624290 262022445 /nfs/dbraw/zinc/02/24/45/262022445.db2.gz UUYNKODONXKMSP-GFCCVEGCSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000520845867 262279310 /nfs/dbraw/zinc/27/93/10/262279310.db2.gz BZQHAMQNAHLCAU-GFCCVEGCSA-N 1 0 266.341 3.094 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000044572286 270037305 /nfs/dbraw/zinc/03/73/05/270037305.db2.gz VFBOGINCSOUUFC-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](C)COCC)c1cccc([N+](=O)[O-])c1 ZINC000044690551 270037484 /nfs/dbraw/zinc/03/74/84/270037484.db2.gz AFIFHSIEUOMOPM-SWLSCSKDSA-N 1 0 280.368 3.451 20 5 CGBDRO CC(C)CCOCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045094038 270038020 /nfs/dbraw/zinc/03/80/20/270038020.db2.gz JQWNBIWMKAJRAH-ZDUSSCGKSA-N 1 0 280.368 3.308 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1C ZINC000189372184 270071485 /nfs/dbraw/zinc/07/14/85/270071485.db2.gz QXDVHYSATKFFMI-HEHGZKQESA-N 1 0 292.379 3.321 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845193 270099182 /nfs/dbraw/zinc/09/91/82/270099182.db2.gz OWNATOUDWAQETF-UKRRQHHQSA-N 1 0 292.379 3.484 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000524292344 270112451 /nfs/dbraw/zinc/11/24/51/270112451.db2.gz FYWKBPVHKURLLF-MRXNPFEDSA-N 1 0 294.395 3.359 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1[C@H](C)C[C@H]1C ZINC000525997430 270122145 /nfs/dbraw/zinc/12/21/45/270122145.db2.gz RVPGQSFEUXBTAJ-PGJRDNSLSA-N 1 0 260.337 3.481 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000530418651 270199584 /nfs/dbraw/zinc/19/95/84/270199584.db2.gz SGBWUBMMZKHQRZ-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@@]2(C)CO)cc1[N+](=O)[O-] ZINC000530411910 270199624 /nfs/dbraw/zinc/19/96/24/270199624.db2.gz BBBZGKVWDPOVPA-INIZCTEOSA-N 1 0 292.379 3.065 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC1CC([NH+]2CCCCC2)C1 ZINC000530430249 270199907 /nfs/dbraw/zinc/19/99/07/270199907.db2.gz ZTGWZSPBAHKQBW-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000532780018 270219387 /nfs/dbraw/zinc/21/93/87/270219387.db2.gz BEVRJCUUVCJLFY-OLZOCXBDSA-N 1 0 262.353 3.463 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000094324278 273580376 /nfs/dbraw/zinc/58/03/76/273580376.db2.gz WTSNTXNUOBHFOH-ZDUSSCGKSA-N 1 0 293.323 3.171 20 5 CGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000097934153 273791867 /nfs/dbraw/zinc/79/18/67/273791867.db2.gz FSUBVYPVIPFJFI-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C1(C)CC1 ZINC000177246076 274118711 /nfs/dbraw/zinc/11/87/11/274118711.db2.gz ZZUKHDCXMXLYRB-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192881765 274176779 /nfs/dbraw/zinc/17/67/79/274176779.db2.gz ZUGLKVVGXGMEQD-QMTHXVAHSA-N 1 0 280.393 3.313 20 5 CGBDRO Cc1cc(N[C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484889 274719906 /nfs/dbraw/zinc/71/99/06/274719906.db2.gz LWJZHAKDKLHVIR-NSHDSACASA-N 1 0 287.319 3.042 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000452033082 276337046 /nfs/dbraw/zinc/33/70/46/276337046.db2.gz FOFFTSYSZSMSHJ-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)COC ZINC000358299659 287910157 /nfs/dbraw/zinc/91/01/57/287910157.db2.gz OMHSBYRWZGNZJM-NWDGAFQWSA-N 1 0 298.408 3.090 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313058538 287942952 /nfs/dbraw/zinc/94/29/52/287942952.db2.gz LJRUJLJHHFBQPP-GJZGRUSLSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])CC(F)(F)F ZINC000396922008 288018186 /nfs/dbraw/zinc/01/81/86/288018186.db2.gz ZZAGBQKZBDZJFI-VIFPVBQESA-N 1 0 276.258 3.273 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000397570028 288024489 /nfs/dbraw/zinc/02/44/89/288024489.db2.gz DEGWZXRTLOMCSL-YPMHNXCESA-N 1 0 262.353 3.162 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c(Cl)c1 ZINC000397768400 288029877 /nfs/dbraw/zinc/02/98/77/288029877.db2.gz TWHTYHJSSRLURR-JGPRNRPPSA-N 1 0 266.728 3.136 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000397996312 288037147 /nfs/dbraw/zinc/03/71/47/288037147.db2.gz QLPAMVYBPXDYHH-SCZZXKLOSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000459576841 288098336 /nfs/dbraw/zinc/09/83/36/288098336.db2.gz WBGWGSFOQALFKF-NSHDSACASA-N 1 0 298.346 3.113 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000348413077 279546691 /nfs/dbraw/zinc/54/66/91/279546691.db2.gz PEQSXJJFBQFHKL-WCQGTBRESA-N 1 0 252.289 3.136 20 5 CGBDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250416 280095261 /nfs/dbraw/zinc/09/52/61/280095261.db2.gz YWNPMGCBRHQUBY-ONGXEEELSA-N 1 0 288.269 3.368 20 5 CGBDRO COC(C)(C)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000532644666 288367782 /nfs/dbraw/zinc/36/77/82/288367782.db2.gz TWUSIPZCNYDVJT-LLVKDONJSA-N 1 0 266.341 3.013 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332075504 288438259 /nfs/dbraw/zinc/43/82/59/288438259.db2.gz XYFKOXMCVDBMGR-WKPIXPDZSA-N 1 0 292.404 3.313 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000550930046 289090882 /nfs/dbraw/zinc/09/08/82/289090882.db2.gz BSUVEKPZZIFHTI-DDTOSNHZSA-N 1 0 266.316 3.444 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@H]1C(C)C ZINC000552045082 289153919 /nfs/dbraw/zinc/15/39/19/289153919.db2.gz XTRMLJNXWUIODG-KBPBESRZSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC[C@@H]1C ZINC000552101362 289163396 /nfs/dbraw/zinc/16/33/96/289163396.db2.gz NNEBXUUASJRCLE-SCRDCRAPSA-N 1 0 294.420 3.257 20 5 CGBDRO CC[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000580120716 327704703 /nfs/dbraw/zinc/70/47/03/327704703.db2.gz BDSVOGFUEWEPKC-HNNXBMFYSA-N 1 0 287.363 3.397 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000580209100 327733213 /nfs/dbraw/zinc/73/32/13/327733213.db2.gz VKRQIVOIVWXMGE-LBPRGKRZSA-N 1 0 270.279 3.151 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)[C@H]1C ZINC000563764933 322009178 /nfs/dbraw/zinc/00/91/78/322009178.db2.gz QGGALOLIDYKLEM-GDLVEWKHSA-N 1 0 287.363 3.253 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CS1 ZINC000566475600 322124813 /nfs/dbraw/zinc/12/48/13/322124813.db2.gz NGRZZBLAJJDTQK-BREBYQMCSA-N 1 0 278.377 3.066 20 5 CGBDRO CSC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000566475934 322125094 /nfs/dbraw/zinc/12/50/94/322125094.db2.gz RCQPXIBQAFQLNK-CYBMUJFWSA-N 1 0 292.404 3.457 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000567344592 322159733 /nfs/dbraw/zinc/15/97/33/322159733.db2.gz LFKAXPSRUISLGC-RVMXOQNASA-N 1 0 260.337 3.352 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1ccc(F)cc1[N+](=O)[O-])CCCC2 ZINC000568649957 322217488 /nfs/dbraw/zinc/21/74/88/322217488.db2.gz WMPZWVUTNSGMGM-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO CC1(C)CC([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000570316075 322270601 /nfs/dbraw/zinc/27/06/01/322270601.db2.gz MRMLQWHWMDRVRH-UHFFFAOYSA-N 1 0 287.363 3.397 20 5 CGBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000570863163 322284278 /nfs/dbraw/zinc/28/42/78/322284278.db2.gz HBNPELSCBAFVCD-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000572362973 322333234 /nfs/dbraw/zinc/33/32/34/322333234.db2.gz BHVCQTKPKAMISW-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H](Nc1c(Cl)cc([N+](=O)[O-])cc1Cl)[C@H](C)[NH3+] ZINC000381528998 327561353 /nfs/dbraw/zinc/56/13/53/327561353.db2.gz ZZOFFSNKGDJLBN-NTSWFWBYSA-N 1 0 278.139 3.049 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)cs1 ZINC000576104534 335154539 /nfs/dbraw/zinc/15/45/39/335154539.db2.gz OWKXWGLFALESTJ-STQMWFEESA-N 1 0 296.392 3.047 20 5 CGBDRO CC(C)CCC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726362 519641957 /nfs/dbraw/zinc/64/19/57/519641957.db2.gz ZDNRHJQFOZCUNE-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000330663137 500950163 /nfs/dbraw/zinc/95/01/63/500950163.db2.gz UWZUMPNQRQXJTB-QWHCGFSZSA-N 1 0 278.352 3.123 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000426476340 533821904 /nfs/dbraw/zinc/82/19/04/533821904.db2.gz ROTYZYYIHKMXFP-GXFFZTMASA-N 1 0 294.326 3.117 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000425981418 534028807 /nfs/dbraw/zinc/02/88/07/534028807.db2.gz NPYARNZGPMCWMA-SCZZXKLOSA-N 1 0 288.269 3.359 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCS1 ZINC000449191133 534254093 /nfs/dbraw/zinc/25/40/93/534254093.db2.gz PDZCHSJDIWMKCV-SWLSCSKDSA-N 1 0 294.420 3.401 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000094424326 520523824 /nfs/dbraw/zinc/52/38/24/520523824.db2.gz QZWXNWVRRKLMID-CYBMUJFWSA-N 1 0 278.352 3.031 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000094424325 520556053 /nfs/dbraw/zinc/55/60/53/520556053.db2.gz QZWXNWVRRKLMID-ZDUSSCGKSA-N 1 0 278.352 3.031 20 5 CGBDRO CC[N@H+](CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000156606373 521082563 /nfs/dbraw/zinc/08/25/63/521082563.db2.gz FYWROZPWNVAQQL-AWEZNQCLSA-N 1 0 293.411 3.284 20 5 CGBDRO CO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468733484 536508531 /nfs/dbraw/zinc/50/85/31/536508531.db2.gz KYOLWEJEGUZSGU-OIQJVACTSA-N 1 0 292.379 3.259 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC1CCC1 ZINC000050443359 527332186 /nfs/dbraw/zinc/33/21/86/527332186.db2.gz AYZAGQNNVQIBCO-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441174952 528048048 /nfs/dbraw/zinc/04/80/48/528048048.db2.gz KGBSFSBTXRXRPZ-LBPRGKRZSA-N 1 0 296.367 3.103 20 5 CGBDRO CCC[C@H](NC[C@@H](C)[NH2+]CC)c1cccc([N+](=O)[O-])c1 ZINC000423389540 528221900 /nfs/dbraw/zinc/22/19/00/528221900.db2.gz VCQILOASIUUJIA-DOMZBBRYSA-N 1 0 279.384 3.024 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC=C(C)C2)ccc1[N+](=O)[O-] ZINC000436268532 528263092 /nfs/dbraw/zinc/26/30/92/528263092.db2.gz GXHGQTLCNNZOJB-UHFFFAOYSA-N 1 0 276.336 3.146 20 5 CGBDRO CCC(CC)(C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449342041 528695350 /nfs/dbraw/zinc/69/53/50/528695350.db2.gz YQNZXNFLWBOAEG-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000427887868 528979818 /nfs/dbraw/zinc/97/98/18/528979818.db2.gz RIVVAVRTRPXORD-NWDGAFQWSA-N 1 0 296.367 3.069 20 5 CGBDRO CC[C@@H]([NH2+]CCC[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000358163913 529162775 /nfs/dbraw/zinc/16/27/75/529162775.db2.gz HWLWMSAGVOVPSH-LSDHHAIUSA-N 1 0 280.368 3.187 20 5 CGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000486976745 535225671 /nfs/dbraw/zinc/22/56/71/535225671.db2.gz VXJCBOPOBCHLSU-UHFFFAOYSA-N 1 0 295.383 3.137 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404999 536179900 /nfs/dbraw/zinc/17/99/00/536179900.db2.gz SNTHYFNNWAPWLY-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1[N+](=O)[O-] ZINC000237321357 536898368 /nfs/dbraw/zinc/89/83/68/536898368.db2.gz QWPLTXWWOQYPGK-OAHLLOKOSA-N 1 0 298.342 3.381 20 5 CGBDRO CCCCCC[N@H+](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000731892903 572434246 /nfs/dbraw/zinc/43/42/46/572434246.db2.gz ZWXSFOVCOGECJW-UHFFFAOYSA-N 1 0 293.367 3.045 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000740870614 572462849 /nfs/dbraw/zinc/46/28/49/572462849.db2.gz GPNOPRPHYPHMLZ-NEPJUHHUSA-N 1 0 295.358 3.043 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948103 572840744 /nfs/dbraw/zinc/84/07/44/572840744.db2.gz BKLUEQNJXIKMDG-ZWNOBZJWSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000748262278 572971162 /nfs/dbraw/zinc/97/11/62/572971162.db2.gz NFZXXFAMNFMZPO-GFCCVEGCSA-N 1 0 290.367 3.270 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000749925023 573060040 /nfs/dbraw/zinc/06/00/40/573060040.db2.gz UVLJGKNFCVTTOE-HBYGRHMLSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177091764 618793567 /nfs/dbraw/zinc/79/35/67/618793567.db2.gz XLPHARXFOKMPDW-UWVGGRQHSA-N 1 0 252.289 3.107 20 5 CGBDRO COC/C(C)=C\C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000930554025 619016535 /nfs/dbraw/zinc/01/65/35/619016535.db2.gz FGHUFWNGTCPXFK-XFXZXTDPSA-N 1 0 278.352 3.012 20 5 CGBDRO CCOC(C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)OCC ZINC000093446995 619195569 /nfs/dbraw/zinc/19/55/69/619195569.db2.gz SFSVYOQLRAOQDN-AWEZNQCLSA-N 1 0 296.367 3.035 20 5 CGBDRO Cc1noc(C)c1CN(C)Cc1cccc([N+](=O)[O-])c1C ZINC000051705883 619235599 /nfs/dbraw/zinc/23/55/99/619235599.db2.gz MLLPUKQXGAQREY-UHFFFAOYSA-N 1 0 289.335 3.140 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCCF)c1 ZINC000310201273 619261821 /nfs/dbraw/zinc/26/18/21/619261821.db2.gz BWYOFHXZYDUKIC-UHFFFAOYSA-N 1 0 260.696 3.088 20 5 CGBDRO CO[C@@H]1CC[C@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895944692 619914087 /nfs/dbraw/zinc/91/40/87/619914087.db2.gz GNOAYYJWJKUBGP-KSLFURFDSA-N 1 0 290.363 3.107 20 5 CGBDRO COCC1(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000897458796 620339431 /nfs/dbraw/zinc/33/94/31/620339431.db2.gz FMTQACOCIHQQPM-CYBMUJFWSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000897463155 620340008 /nfs/dbraw/zinc/34/00/08/620340008.db2.gz BYFSMCZWIHYFPB-CHWSQXEVSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463450 620340732 /nfs/dbraw/zinc/34/07/32/620340732.db2.gz GGADNYYTYOZCIX-MQYQWHSLSA-N 1 0 292.379 3.244 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465042 620340761 /nfs/dbraw/zinc/34/07/61/620340761.db2.gz RHJWBVJPKUGWLO-HZSPNIEDSA-N 1 0 292.379 3.246 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@@H]23)c(F)c1 ZINC000897954617 620454813 /nfs/dbraw/zinc/45/48/13/620454813.db2.gz IDDKNTKZRSSOHJ-MRCXROJRSA-N 1 0 264.300 3.012 20 5 CGBDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000898049352 620465194 /nfs/dbraw/zinc/46/51/94/620465194.db2.gz YVMSKILXAVFIKQ-CYBMUJFWSA-N 1 0 296.342 3.171 20 5 CGBDRO CC1(C)CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)O1 ZINC000898049353 620465329 /nfs/dbraw/zinc/46/53/29/620465329.db2.gz YVMSKILXAVFIKQ-ZDUSSCGKSA-N 1 0 296.342 3.171 20 5 CGBDRO CC[C@@](C)(C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])OC ZINC000323046098 620529272 /nfs/dbraw/zinc/52/92/72/620529272.db2.gz PLVGIEPKDPQYCB-ZDUSSCGKSA-N 1 0 286.759 3.153 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000042555325 621177303 /nfs/dbraw/zinc/17/73/03/621177303.db2.gz ROLPDTNKTYUIQO-PWSUYJOCSA-N 1 0 250.342 3.427 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCC(C)(F)F)cc([N+](=O)[O-])c1 ZINC000903178256 621614868 /nfs/dbraw/zinc/61/48/68/621614868.db2.gz VMXFEARKBAIOCV-SECBINFHSA-N 1 0 288.294 3.299 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCC(C)(C)F)cc([N+](=O)[O-])c1 ZINC000903200043 621624109 /nfs/dbraw/zinc/62/41/09/621624109.db2.gz LAYARWZIQTVSIH-JTQLQIEISA-N 1 0 284.331 3.392 20 5 CGBDRO COCCC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245437 621637207 /nfs/dbraw/zinc/63/72/07/621637207.db2.gz MBLJGDACLUNDQO-OLZOCXBDSA-N 1 0 280.368 3.103 20 5 CGBDRO COC1([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000903247107 621649923 /nfs/dbraw/zinc/64/99/23/621649923.db2.gz YSIIKUGRMKMNAV-QWHCGFSZSA-N 1 0 292.379 3.246 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000903287867 621670477 /nfs/dbraw/zinc/67/04/77/621670477.db2.gz RMIZIYDZJWJWNI-VXGBXAGGSA-N 1 0 288.351 3.049 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000903288293 621672107 /nfs/dbraw/zinc/67/21/07/621672107.db2.gz WJTAUSJKGITFPF-XPKDYRNWSA-N 1 0 292.379 3.449 20 5 CGBDRO CCC[C@H](C)CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000905422577 622071850 /nfs/dbraw/zinc/07/18/50/622071850.db2.gz IVVBDHCTIDUUNO-SWLSCSKDSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774132 623505255 /nfs/dbraw/zinc/50/52/55/623505255.db2.gz VOOVVFXYMGEENL-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO CC[N@H+](CCSC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000830999444 623655394 /nfs/dbraw/zinc/65/53/94/623655394.db2.gz LUCKEYDTZFKFBR-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]1C ZINC000154140787 624207955 /nfs/dbraw/zinc/20/79/55/624207955.db2.gz CGRYDWKCSYITJC-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000839639050 626773482 /nfs/dbraw/zinc/77/34/82/626773482.db2.gz LITJIMBWSFDTSI-MEBBXXQBSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000764942733 627233617 /nfs/dbraw/zinc/23/36/17/627233617.db2.gz WRFQVIRKFDGTKL-GFCCVEGCSA-N 1 0 293.342 3.163 20 5 CGBDRO CC[C@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269255 627308793 /nfs/dbraw/zinc/30/87/93/627308793.db2.gz MEKKGOLJRTWDLG-BBRMVZONSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCN1CCC[C@H]1C ZINC000766273461 627311672 /nfs/dbraw/zinc/31/16/72/627311672.db2.gz PPHZYMSGNCOGLB-KGLIPLIRSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@@H]([NH2+]C1CCC(C)(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000766480340 627336527 /nfs/dbraw/zinc/33/65/27/627336527.db2.gz RELBGHJCRHVUNQ-OGVSOVDVSA-N 1 0 292.379 3.329 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000775575923 628110294 /nfs/dbraw/zinc/11/02/94/628110294.db2.gz FVNXUBAAYRWUFZ-RKDXNWHRSA-N 1 0 289.162 3.439 20 5 CGBDRO CCCCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000776023745 628159043 /nfs/dbraw/zinc/15/90/43/628159043.db2.gz OPVXISCMDJHDNT-ZDUSSCGKSA-N 1 0 296.415 3.376 20 5 CGBDRO CC1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272803 628187871 /nfs/dbraw/zinc/18/78/71/628187871.db2.gz WXKWNHQVIDYVAO-PXCJXSSVSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278251 628188482 /nfs/dbraw/zinc/18/84/82/628188482.db2.gz SQUIRAHMFBMRKX-KCXAZCMYSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587548 628222212 /nfs/dbraw/zinc/22/22/12/628222212.db2.gz WIOCZDQEGZYBSJ-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1nn(C[N@@H+](CCC(C)C)C2CCCC2)cc1[N+](=O)[O-] ZINC000779858445 628438485 /nfs/dbraw/zinc/43/84/85/628438485.db2.gz DYFGHLPXKHTNNB-UHFFFAOYSA-N 1 0 294.399 3.348 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000783664826 628736522 /nfs/dbraw/zinc/73/65/22/628736522.db2.gz LKGMLNIIYFGGOU-ZYHUDNBSSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788605519 629068394 /nfs/dbraw/zinc/06/83/94/629068394.db2.gz XTSYJZSNYAKWDX-GHMZBOCLSA-N 1 0 265.357 3.120 20 5 CGBDRO CO[C@@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811493737 631074769 /nfs/dbraw/zinc/07/47/69/631074769.db2.gz LYPJKWPUQGQIPA-ZETCQYMHSA-N 1 0 293.150 3.026 20 5 CGBDRO C[C@H]([NH2+]CC12CCC(CC1)C2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599359 631804441 /nfs/dbraw/zinc/80/44/41/631804441.db2.gz RDGCBBFQNJWKEX-FZWSLVFFSA-N 1 0 289.379 3.408 20 5 CGBDRO COC1(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000816638132 632027829 /nfs/dbraw/zinc/02/78/29/632027829.db2.gz AVXIJMZTONNOHG-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCCC1 ZINC000819152124 632389576 /nfs/dbraw/zinc/38/95/76/632389576.db2.gz LYZFGBRISPYECT-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000819226552 632405472 /nfs/dbraw/zinc/40/54/72/632405472.db2.gz UAACGZVVOGMRNZ-UNIGVISCSA-N 1 0 292.379 3.043 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000865873672 632933004 /nfs/dbraw/zinc/93/30/04/632933004.db2.gz GEUPGYGRCMSOTB-SIRQDLBWSA-N 1 0 292.379 3.137 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2C)CC1 ZINC000866060064 632987863 /nfs/dbraw/zinc/98/78/63/632987863.db2.gz ZLIFMXGCDLLFQV-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO CC(C)C1([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866364548 633102552 /nfs/dbraw/zinc/10/25/52/633102552.db2.gz RFJPYLWGUGXVKT-LLVKDONJSA-N 1 0 280.343 3.443 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000122685362 633491454 /nfs/dbraw/zinc/49/14/54/633491454.db2.gz IJUJHUMOMHHQIQ-SECBINFHSA-N 1 0 281.312 3.027 20 5 CGBDRO Cc1c(OCCCCCCC[NH3+])cccc1[N+](=O)[O-] ZINC000830326443 633850459 /nfs/dbraw/zinc/85/04/59/633850459.db2.gz PAHYIDMTAZNSGY-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000831170032 633922255 /nfs/dbraw/zinc/92/22/55/633922255.db2.gz MYSUIQCRXQUXMT-GJZGRUSLSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016349 633936840 /nfs/dbraw/zinc/93/68/40/633936840.db2.gz JBNQVPUPJXRDPD-SECBINFHSA-N 1 0 254.355 3.377 20 5 CGBDRO CCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872024991 633944637 /nfs/dbraw/zinc/94/46/37/633944637.db2.gz GBNIHYQKTFHTSP-SNVBAGLBSA-N 1 0 284.381 3.004 20 5 CGBDRO C[C@@H]([NH2+]CCc1nccs1)c1c(F)cccc1[N+](=O)[O-] ZINC000872029518 633948292 /nfs/dbraw/zinc/94/82/92/633948292.db2.gz RAUWJSWDUVSLES-SECBINFHSA-N 1 0 295.339 3.084 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872059976 633982551 /nfs/dbraw/zinc/98/25/51/633982551.db2.gz LEWPIOGANUPWMW-SRVKXCTJSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@@H]([NH2+]CCCOC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872069419 633990878 /nfs/dbraw/zinc/99/08/78/633990878.db2.gz OCMWRHQRPMXNHF-MRVPVSSYSA-N 1 0 292.257 3.014 20 5 CGBDRO COC1([C@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872080225 634004113 /nfs/dbraw/zinc/00/41/13/634004113.db2.gz OUHIVFDWKUQVJI-MNOVXSKESA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107240 634030415 /nfs/dbraw/zinc/03/04/15/634030415.db2.gz XNSVOTWFOAXJJF-WDEREUQCSA-N 1 0 296.342 3.200 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000872128863 634049971 /nfs/dbraw/zinc/04/99/71/634049971.db2.gz ZZZDSWRURZUCEC-OUCADQQQSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cscn1 ZINC000873054370 634239097 /nfs/dbraw/zinc/23/90/97/634239097.db2.gz PENNVJLSXJYFDE-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873066558 634240952 /nfs/dbraw/zinc/24/09/52/634240952.db2.gz XLWJVKMMSCUYQL-AWEZNQCLSA-N 1 0 294.395 3.100 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000873095414 634244604 /nfs/dbraw/zinc/24/46/04/634244604.db2.gz LSUHBZYRJNOPHJ-CYBMUJFWSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n(C)n1 ZINC000834814986 634246019 /nfs/dbraw/zinc/24/60/19/634246019.db2.gz RMIZIYDZJWJWNI-NWDGAFQWSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000873132281 634254058 /nfs/dbraw/zinc/25/40/58/634254058.db2.gz NNVXCBHVRUJQRU-YUTCNCBUSA-N 1 0 292.379 3.115 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCS[C@H]1C ZINC000873134861 634255340 /nfs/dbraw/zinc/25/53/40/634255340.db2.gz VIYJQFUEKHBVBY-AAEUAGOBSA-N 1 0 280.393 3.195 20 5 CGBDRO CCc1ncc(CN[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000873184085 634273814 /nfs/dbraw/zinc/27/38/14/634273814.db2.gz BGYMSAMHRJXDSB-SNVBAGLBSA-N 1 0 291.376 3.465 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877464994 635046912 /nfs/dbraw/zinc/04/69/12/635046912.db2.gz QKJICWUAUOWISK-KBHBFKLGSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1c(C[NH+]2CC(Cc3ccco3)C2)cccc1[N+](=O)[O-] ZINC000877654260 635134175 /nfs/dbraw/zinc/13/41/75/635134175.db2.gz NJXWMBAZPNLIDR-UHFFFAOYSA-N 1 0 286.331 3.171 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000126716382 635195899 /nfs/dbraw/zinc/19/58/99/635195899.db2.gz COLITWNVWASVMQ-GXFFZTMASA-N 1 0 292.360 3.041 20 5 CGBDRO CCC[NH2+][C@@H](C)c1nc(-c2ccc(C)c([N+](=O)[O-])c2)no1 ZINC000843178405 635598200 /nfs/dbraw/zinc/59/82/00/635598200.db2.gz CGTANCXRLQBQPG-JTQLQIEISA-N 1 0 290.323 3.014 20 5 CGBDRO C[C@@H]([NH2+]C1(C2CCC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846207150 636158711 /nfs/dbraw/zinc/15/87/11/636158711.db2.gz KOTPTGVWHGGZTR-SNVBAGLBSA-N 1 0 275.352 3.160 20 5 CGBDRO CSCC[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527458 636590087 /nfs/dbraw/zinc/59/00/87/636590087.db2.gz BPGXJCPZRZCDSZ-MFKMUULPSA-N 1 0 280.393 3.313 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000133247182 636887958 /nfs/dbraw/zinc/88/79/58/636887958.db2.gz QPUQRWTZZKZEKM-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(CNCc2ccoc2)c1 ZINC000133827065 636980923 /nfs/dbraw/zinc/98/09/23/636980923.db2.gz OVNKBCOZBIWSLY-UHFFFAOYSA-N 1 0 266.684 3.131 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850394051 637045670 /nfs/dbraw/zinc/04/56/70/637045670.db2.gz ZSLBONCRRIRVOB-PJXYFTJBSA-N 1 0 266.728 3.136 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)CCSC ZINC000850437269 637063194 /nfs/dbraw/zinc/06/31/94/637063194.db2.gz OHKWQDSAPVLDDR-QWRGUYRKSA-N 1 0 298.408 3.396 20 5 CGBDRO CSCC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468051 637133461 /nfs/dbraw/zinc/13/34/61/637133461.db2.gz KLWISXVGUBNICJ-WDEREUQCSA-N 1 0 268.382 3.387 20 5 CGBDRO C[C@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140995 637433470 /nfs/dbraw/zinc/43/34/70/637433470.db2.gz UHQNKYLKPHSBFT-WCQYABFASA-N 1 0 277.368 3.294 20 5 CGBDRO Cc1ccc(CC(C)(C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886250077 637470624 /nfs/dbraw/zinc/47/06/24/637470624.db2.gz ZXIGYVJPVRFABM-UHFFFAOYSA-N 1 0 299.374 3.409 20 5 CGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CCCCC1 ZINC000852772633 637710117 /nfs/dbraw/zinc/71/01/17/637710117.db2.gz OCALQICSKFFKCM-UHFFFAOYSA-N 1 0 296.342 3.173 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000925640218 638554097 /nfs/dbraw/zinc/55/40/97/638554097.db2.gz GYTAWDGCPTVYCR-LQDVMPOASA-N 1 0 292.404 3.154 20 5 CGBDRO C[C@@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000925827065 638624595 /nfs/dbraw/zinc/62/45/95/638624595.db2.gz QONVDXKQFRAWPW-SSKCKEOISA-N 1 0 297.358 3.390 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858537080 638757595 /nfs/dbraw/zinc/75/75/95/638757595.db2.gz MBWMOQZYTLUMIB-VFFTVRQLSA-N 1 0 289.379 3.264 20 5 CGBDRO CC(F)(F)CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000930100081 638974071 /nfs/dbraw/zinc/97/40/71/638974071.db2.gz QVYLGMSQJBCAJC-UHFFFAOYSA-N 1 0 284.306 3.388 20 5 CGBDRO CC(C)([NH2+]CCc1ccns1)c1ccccc1[N+](=O)[O-] ZINC000930555025 639023756 /nfs/dbraw/zinc/02/37/56/639023756.db2.gz RVALAUPTJWMFKG-UHFFFAOYSA-N 1 0 291.376 3.119 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@H](C)CC1 ZINC000932346191 639318399 /nfs/dbraw/zinc/31/83/99/639318399.db2.gz HEWCUZGDGRVOKK-OLZOCXBDSA-N 1 0 278.352 3.075 20 5 CGBDRO CSCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000932591745 639364090 /nfs/dbraw/zinc/36/40/90/639364090.db2.gz FNYZQERGQOLSRD-UHFFFAOYSA-N 1 0 294.420 3.478 20 5 CGBDRO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000934010718 639525104 /nfs/dbraw/zinc/52/51/04/639525104.db2.gz FMJUPVYMTSXKQN-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000934233245 639565233 /nfs/dbraw/zinc/56/52/33/639565233.db2.gz IIRSVCBCDVWVQC-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000158432704 640005066 /nfs/dbraw/zinc/00/50/66/640005066.db2.gz AUVZPQAAGVOTAA-ZJUUUORDSA-N 1 0 299.321 3.427 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCCC1 ZINC000094774841 640802380 /nfs/dbraw/zinc/80/23/80/640802380.db2.gz LXBRCMYDICKVPS-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000252685961 640857337 /nfs/dbraw/zinc/85/73/37/640857337.db2.gz IYCXFOOVEIEITQ-AVRGHOLYSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000119878254 641045107 /nfs/dbraw/zinc/04/51/07/641045107.db2.gz YERZLRCPTLPPDE-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254530691 806445286 /nfs/dbraw/zinc/44/52/86/806445286.db2.gz AWMSLZIWCGJLGX-LLVKDONJSA-N 1 0 250.342 3.304 20 5 CGBDRO Cc1occc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254539508 806446194 /nfs/dbraw/zinc/44/61/94/806446194.db2.gz IHNPLDXGXPCRIZ-LLVKDONJSA-N 1 0 274.320 3.217 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CC2CC2)CC1 ZINC001254549658 806447488 /nfs/dbraw/zinc/44/74/88/806447488.db2.gz VYDUTNOHZKWSQJ-GFCCVEGCSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCCO1 ZINC001254561638 806451386 /nfs/dbraw/zinc/45/13/86/806451386.db2.gz HIDSDUVBQQOZGV-HIFRSBDPSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCCO1 ZINC001254561637 806451817 /nfs/dbraw/zinc/45/18/17/806451817.db2.gz HIDSDUVBQQOZGV-DZGCQCFKSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254567474 806453047 /nfs/dbraw/zinc/45/30/47/806453047.db2.gz ONNHYBZJYSQFLL-GWCFXTLKSA-N 1 0 288.372 3.474 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254571879 806454239 /nfs/dbraw/zinc/45/42/39/806454239.db2.gz COQJIUQVGWCKKU-IAQYHMDHSA-N 1 0 298.342 3.118 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001254573535 806454726 /nfs/dbraw/zinc/45/47/26/806454726.db2.gz BNNFHYGZVOVWMW-IAQYHMDHSA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(CC3CC3)CC1)C2 ZINC001254587630 806455357 /nfs/dbraw/zinc/45/53/57/806455357.db2.gz RNGRZWVLCUCAEG-OAHLLOKOSA-N 1 0 286.375 3.232 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596419 806457454 /nfs/dbraw/zinc/45/74/54/806457454.db2.gz DNTMYNKDAFGFBY-XHBSWPGZSA-N 1 0 274.364 3.325 20 5 CGBDRO [NH3+]Cc1ccnn1-c1nc2ccccc2c2ccccc21 ZINC001162597371 806627534 /nfs/dbraw/zinc/62/75/34/806627534.db2.gz MFGJLAVRMAHCPT-UHFFFAOYSA-N 1 0 274.327 3.032 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CC[NH2+][C@H]1c1ccccc1 ZINC001163212510 806723617 /nfs/dbraw/zinc/72/36/17/806723617.db2.gz WWRMAXZZDRNESL-PBHICJAKSA-N 1 0 297.358 3.418 20 5 CGBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc([N+](=O)[O-])cc1Cl ZINC001163606363 806791266 /nfs/dbraw/zinc/79/12/66/806791266.db2.gz XZSIFEFAEWWCTG-LLVKDONJSA-N 1 0 297.786 3.169 20 5 CGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697914 799977994 /nfs/dbraw/zinc/97/79/94/799977994.db2.gz UDQCNYXDXZSZRK-RYUDHWBXSA-N 1 0 298.383 3.450 20 5 CGBDRO Cc1c(C[NH2+]CC[C@@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000715781910 800147272 /nfs/dbraw/zinc/14/72/72/800147272.db2.gz KDEKKLUWHBZLEH-ZDUSSCGKSA-N 1 0 280.393 3.279 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cs1 ZINC000716532767 800175111 /nfs/dbraw/zinc/17/51/11/800175111.db2.gz KHTKSCMQMYJUPT-LBPRGKRZSA-N 1 0 296.392 3.095 20 5 CGBDRO Cc1c(C[NH2+]CC2(C)CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000720921277 800272215 /nfs/dbraw/zinc/27/22/15/800272215.db2.gz ZWJBNKJFEIMPNK-UHFFFAOYSA-N 1 0 284.306 3.428 20 5 CGBDRO OCC1C[NH+](Cc2c3ccccc3cc3ccccc32)C1 ZINC001141728162 804665250 /nfs/dbraw/zinc/66/52/50/804665250.db2.gz NZIZYHJEQQASIG-UHFFFAOYSA-N 1 0 277.367 3.417 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC001168202437 807348452 /nfs/dbraw/zinc/34/84/52/807348452.db2.gz USCWYSWAZXYDDZ-MNOVXSKESA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001168956489 807541375 /nfs/dbraw/zinc/54/13/75/807541375.db2.gz BABKTFUGWMHUGA-QWRGUYRKSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)C1 ZINC001168956793 807541688 /nfs/dbraw/zinc/54/16/88/807541688.db2.gz FLMUMWRYNOFWBG-RISCZKNCSA-N 1 0 294.782 3.364 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001168966193 807542533 /nfs/dbraw/zinc/54/25/33/807542533.db2.gz GYQJIMSVWCLMHZ-WDEREUQCSA-N 1 0 286.734 3.014 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168967583 807543817 /nfs/dbraw/zinc/54/38/17/807543817.db2.gz QZZQKSRUZPPQGX-HUUCEWRRSA-N 1 0 276.380 3.147 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(C)c1 ZINC001168967584 807544291 /nfs/dbraw/zinc/54/42/91/807544291.db2.gz QZZQKSRUZPPQGX-LSDHHAIUSA-N 1 0 276.380 3.147 20 5 CGBDRO CC(C)(C)CC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978102 807545606 /nfs/dbraw/zinc/54/56/06/807545606.db2.gz OJCHZKLYHIAUGP-VXGBXAGGSA-N 1 0 256.390 3.236 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168983784 807546609 /nfs/dbraw/zinc/54/66/09/807546609.db2.gz LERSGRGKXBYJMU-DGCLKSJQSA-N 1 0 282.771 3.183 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C)o1 ZINC001168984439 807546792 /nfs/dbraw/zinc/54/67/92/807546792.db2.gz NXPVRCKJYUFGGJ-JHJVBQTASA-N 1 0 266.341 3.074 20 5 CGBDRO CC(C)c1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168987203 807546842 /nfs/dbraw/zinc/54/68/42/807546842.db2.gz HMZZEYUTLPPGPV-RDJZCZTQSA-N 1 0 290.407 3.388 20 5 CGBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168987003 807547432 /nfs/dbraw/zinc/54/74/32/807547432.db2.gz GYJGVLRVONPHLY-SOUVJXGZSA-N 1 0 276.380 3.399 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168988380 807548129 /nfs/dbraw/zinc/54/81/29/807548129.db2.gz RPHKBEQHDZDWIC-IXPVHAAZSA-N 1 0 298.333 3.451 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001168988311 807548368 /nfs/dbraw/zinc/54/83/68/807548368.db2.gz QTMKHAVHOMEQDF-HOTGVXAUSA-N 1 0 276.380 3.044 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1OC ZINC001168987549 807548395 /nfs/dbraw/zinc/54/83/95/807548395.db2.gz JMZAJKKXGBBCGX-IPYPFGDCSA-N 1 0 292.379 3.181 20 5 CGBDRO CC(C)(Cc1cccc(F)c1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168999028 807548923 /nfs/dbraw/zinc/54/89/23/807548923.db2.gz RAJCALHAMCMRTH-ZFWWWQNUSA-N 1 0 294.370 3.182 20 5 CGBDRO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C2(C)C ZINC001168997591 807549293 /nfs/dbraw/zinc/54/92/93/807549293.db2.gz DRGULIUNIICFIU-GXYBRJDSSA-N 1 0 280.412 3.092 20 5 CGBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001169000342 807549359 /nfs/dbraw/zinc/54/93/59/807549359.db2.gz XMNIOUQZVSULFF-SOUVJXGZSA-N 1 0 276.380 3.399 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169003092 807550496 /nfs/dbraw/zinc/55/04/96/807550496.db2.gz NEAILZNASHSBSC-RBSFLKMASA-N 1 0 276.380 3.399 20 5 CGBDRO C[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021969 807554633 /nfs/dbraw/zinc/55/46/33/807554633.db2.gz BMDUWLKKOVESIA-YHXWVGAOSA-N 1 0 292.423 3.332 20 5 CGBDRO C[N@H+](Cc1ccccc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169027820 807554664 /nfs/dbraw/zinc/55/46/64/807554664.db2.gz QUBCKPAYELYQGG-DGCLKSJQSA-N 1 0 282.771 3.217 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001169029572 807555431 /nfs/dbraw/zinc/55/54/31/807555431.db2.gz UJMBSZGOSGSCQA-OIISXLGYSA-N 1 0 288.391 3.311 20 5 CGBDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036870 807556318 /nfs/dbraw/zinc/55/63/18/807556318.db2.gz HSWMJVDSRJYGMV-JLJPHGGASA-N 1 0 288.391 3.441 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040205 807556987 /nfs/dbraw/zinc/55/69/87/807556987.db2.gz YSCSFNLCYFGYDG-UKRRQHHQSA-N 1 0 280.343 3.093 20 5 CGBDRO CC[N@H+](Cc1ccc(C)cc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169050184 807559929 /nfs/dbraw/zinc/55/99/29/807559929.db2.gz ZGDBFQPDMVWOGU-HOTGVXAUSA-N 1 0 276.380 3.262 20 5 CGBDRO O=[N+]([O-])c1cc(NCC[C@H]2CCC[NH2+]2)cc2ccccc21 ZINC001169570070 807669579 /nfs/dbraw/zinc/66/95/79/807669579.db2.gz XBSDCAWWBZRMAO-CYBMUJFWSA-N 1 0 285.347 3.302 20 5 CGBDRO CCC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908252 808475744 /nfs/dbraw/zinc/47/57/44/808475744.db2.gz LJZGZKRJAYLXKK-CQSZACIVSA-N 1 0 262.353 3.184 20 5 CGBDRO C[C@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909468 808475792 /nfs/dbraw/zinc/47/57/92/808475792.db2.gz RYPVNIHISGTXJX-WFASDCNBSA-N 1 0 274.364 3.327 20 5 CGBDRO CC[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173180905 808533118 /nfs/dbraw/zinc/53/31/18/808533118.db2.gz ZFOFOKRQSUIONF-UWVGGRQHSA-N 1 0 284.331 3.062 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC2CC2)c1F ZINC001173188134 808533977 /nfs/dbraw/zinc/53/39/77/808533977.db2.gz IPMJBRBNMCEKJU-JTQLQIEISA-N 1 0 296.342 3.063 20 5 CGBDRO Cc1ncccc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173210374 808537951 /nfs/dbraw/zinc/53/79/51/808537951.db2.gz KAHHRYOGSLMPFT-GFCCVEGCSA-N 1 0 285.347 3.019 20 5 CGBDRO CCCO[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225735 808541453 /nfs/dbraw/zinc/54/14/53/808541453.db2.gz FRGUDFBKVIFGPH-XJKSGUPXSA-N 1 0 292.379 3.027 20 5 CGBDRO CCCCC1([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC001176850667 809764871 /nfs/dbraw/zinc/76/48/71/809764871.db2.gz XSXBCKPWTMDLKV-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO Cc1ccc(CNc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC001178689013 809883635 /nfs/dbraw/zinc/88/36/35/809883635.db2.gz QKVQXBOZWFZINN-UHFFFAOYSA-N 1 0 282.303 3.392 20 5 CGBDRO Cc1ccc(Nc2cc[nH+]c(N(C)C)c2)c([N+](=O)[O-])c1 ZINC001214169434 815375813 /nfs/dbraw/zinc/37/58/13/815375813.db2.gz MKQJWKLJPYRQHE-UHFFFAOYSA-N 1 0 272.308 3.108 20 5 CGBDRO C[C@@H](OCCCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001217887292 815989347 /nfs/dbraw/zinc/98/93/47/815989347.db2.gz GOPDZAGWJRRRJD-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001218025907 816061170 /nfs/dbraw/zinc/06/11/70/816061170.db2.gz HCCDVWIJKVPERD-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001218044295 816071691 /nfs/dbraw/zinc/07/16/91/816071691.db2.gz SVUUQXCTSFKJDM-BDJLRTHQSA-N 1 0 286.331 3.125 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218096842 816096762 /nfs/dbraw/zinc/09/67/62/816096762.db2.gz UXVXKMROEADCKP-KGLIPLIRSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218097152 816097825 /nfs/dbraw/zinc/09/78/25/816097825.db2.gz TUFKSVKNLXIPEM-CVEARBPZSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218099145 816098721 /nfs/dbraw/zinc/09/87/21/816098721.db2.gz ZVSPLKBSBMBRRG-CZUORRHYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@H]1CC[NH2+]C1 ZINC001218178313 816118053 /nfs/dbraw/zinc/11/80/53/816118053.db2.gz XRONMGPLIGXVAT-AWEZNQCLSA-N 1 0 284.315 3.003 20 5 CGBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3CC[NH2+]C3)c12 ZINC001218180492 816118208 /nfs/dbraw/zinc/11/82/08/816118208.db2.gz XTMSRKLWZTYQER-AWEZNQCLSA-N 1 0 264.328 3.129 20 5 CGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001218311057 816161388 /nfs/dbraw/zinc/16/13/88/816161388.db2.gz FGFHEIDQUSFJQX-GFCCVEGCSA-N 1 0 284.743 3.015 20 5 CGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001218316398 816164368 /nfs/dbraw/zinc/16/43/68/816164368.db2.gz QYWKBUPVGRRVAB-GFCCVEGCSA-N 1 0 284.743 3.015 20 5 CGBDRO c1ccc2c(c1)nc(O[C@@H]1C[C@H]3C[NH2+]C[C@@H]31)c1ccccc21 ZINC001218325274 816168083 /nfs/dbraw/zinc/16/80/83/816168083.db2.gz KXJLZMRKFOWFGL-ULFGMLNVSA-N 1 0 290.366 3.375 20 5 CGBDRO C[C@H]1CC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218399778 816192856 /nfs/dbraw/zinc/19/28/56/816192856.db2.gz RRGOCELXJYBDEL-AAEUAGOBSA-N 1 0 286.331 3.267 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)ccc2ccccc21 ZINC001218468534 816228608 /nfs/dbraw/zinc/22/86/08/816228608.db2.gz SCZVQMUMTRAACB-NWANDNLSSA-N 1 0 298.342 3.125 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)c2ccccc21 ZINC001218475036 816232526 /nfs/dbraw/zinc/23/25/26/816232526.db2.gz XSRGOMKMFKMUAI-HYSWKAIVSA-N 1 0 298.342 3.125 20 5 CGBDRO COc1ccc2ccccc2c1CO[C@@H](C)C[N+](C)(C)C ZINC001223212525 816589276 /nfs/dbraw/zinc/58/92/76/816589276.db2.gz CMBLNWZYLGMPHJ-AWEZNQCLSA-N 1 0 288.411 3.460 20 5 CGBDRO C[C@@H](O[C@@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429539 816628625 /nfs/dbraw/zinc/62/86/25/816628625.db2.gz LMKAPZITRDQBSH-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1ccc2cc(CO[C@@H](C)C[N+](C)(C)C)ccc2n1 ZINC001223987903 816716339 /nfs/dbraw/zinc/71/63/39/816716339.db2.gz MAVLNKUBRLGYGK-AWEZNQCLSA-N 1 0 273.400 3.155 20 5 CGBDRO C[C@@H](O[C@H]1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027778 816724118 /nfs/dbraw/zinc/72/41/18/816724118.db2.gz XXYLRFGORIBMCF-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](OC[C@@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC001224707985 816861274 /nfs/dbraw/zinc/86/12/74/816861274.db2.gz UZBHGVCRJVPCNL-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO CC(C)C[C@H](Cc1ccccc1)OCC[N+](C)(C)C ZINC001224776094 816879252 /nfs/dbraw/zinc/87/92/52/816879252.db2.gz SBKCMRFLYNLFEU-QGZVFWFLSA-N 1 0 264.433 3.367 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226508966 817378941 /nfs/dbraw/zinc/37/89/41/817378941.db2.gz INMLKIWBOLASHC-LBPRGKRZSA-N 1 0 286.331 3.221 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001227131431 817567543 /nfs/dbraw/zinc/56/75/43/817567543.db2.gz ZPCAMXFSXMXJGI-SSDOTTSWSA-N 1 0 293.150 3.231 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c2c1CCC2 ZINC001227314407 817623474 /nfs/dbraw/zinc/62/34/74/817623474.db2.gz CLLZEVHOZCHEAU-NSHDSACASA-N 1 0 268.808 3.302 20 5 CGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccccc1[N+](=O)[O-])C2 ZINC001227478795 817658211 /nfs/dbraw/zinc/65/82/11/817658211.db2.gz CDSFJWVCKXPWJF-WDNDVIMCSA-N 1 0 290.363 3.377 20 5 CGBDRO O=[N+]([O-])c1ccccc1O[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC001227482952 817659447 /nfs/dbraw/zinc/65/94/47/817659447.db2.gz PRAQBYGYCCZACU-OAHLLOKOSA-N 1 0 298.342 3.248 20 5 CGBDRO Cc1ccc2c(ccnc2O[C@H](C)C[N+](C)(C)C)c1 ZINC001228640922 817960181 /nfs/dbraw/zinc/96/01/81/817960181.db2.gz ZDLIESIWHZGSOS-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC001354461384 937103103 /nfs/dbraw/zinc/10/31/03/937103103.db2.gz JLNQAKOZBGYSGY-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCCC23CCC3)cc1 ZINC000444784380 927941529 /nfs/dbraw/zinc/94/15/29/927941529.db2.gz VKLNXCAVUWDJKZ-UHFFFAOYSA-N 1 0 290.363 3.382 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2sccc2[N+](=O)[O-])C1 ZINC001458111200 937451571 /nfs/dbraw/zinc/45/15/71/937451571.db2.gz XPWRQHGURMLOLE-VXGBXAGGSA-N 1 0 297.424 3.436 20 5 CGBDRO C[Si](C)(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC001459686684 937496387 /nfs/dbraw/zinc/49/63/87/937496387.db2.gz MOVSRKMGQJBPBI-UHFFFAOYSA-N 1 0 278.428 3.437 20 5 CGBDRO C[C@]12C[N@H+](Cc3cccc([N+](=O)[O-])c3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001460858769 937549838 /nfs/dbraw/zinc/54/98/38/937549838.db2.gz KHVQUHZCTVYFSU-HDEZJCGLSA-N 1 0 284.359 3.239 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O[C@H]2CCCCO2)cc1 ZINC001229042596 932080012 /nfs/dbraw/zinc/08/00/12/932080012.db2.gz WXDYTASDRNVYEX-PBHICJAKSA-N 1 0 294.415 3.066 20 5 CGBDRO C/C=C/c1ccc(OC)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229247781 932122594 /nfs/dbraw/zinc/12/25/94/932122594.db2.gz FALNEJSECZHPRA-GWJCSSMESA-N 1 0 264.389 3.202 20 5 CGBDRO Cc1cc(OC2CC[NH+](C)CC2)c([N+](=O)[O-])cc1Cl ZINC001229978595 932515411 /nfs/dbraw/zinc/51/54/11/932515411.db2.gz LWCOYFZFOODSGI-UHFFFAOYSA-N 1 0 284.743 3.030 20 5 CGBDRO Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230471464 932576299 /nfs/dbraw/zinc/57/62/99/932576299.db2.gz HJDYKKXZBFMWEK-CYBMUJFWSA-N 1 0 278.352 3.073 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001230626181 932600535 /nfs/dbraw/zinc/60/05/35/932600535.db2.gz DCQTZBHLXLZQDW-NSHDSACASA-N 1 0 274.320 3.077 20 5 CGBDRO C[NH2+]C1(CNc2ccc([N+](=O)[O-])c(C)c2)CCCCC1 ZINC001307196094 932927034 /nfs/dbraw/zinc/92/70/34/932927034.db2.gz POUOSJVFHBPCMG-UHFFFAOYSA-N 1 0 277.368 3.237 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001307440911 932952343 /nfs/dbraw/zinc/95/23/43/932952343.db2.gz VOTVFKQBQNIABW-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@H](C)C[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307510514 932962695 /nfs/dbraw/zinc/96/26/95/932962695.db2.gz GSMDFIMWFULPFJ-ZDUSSCGKSA-N 1 0 280.368 3.342 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(C)C1 ZINC001462511155 937646112 /nfs/dbraw/zinc/64/61/12/937646112.db2.gz IYTKKYALKMJHOH-GHXNOFRVSA-N 1 0 260.337 3.340 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307821754 933005725 /nfs/dbraw/zinc/00/57/25/933005725.db2.gz RJFILSRHKDLHKW-CYBMUJFWSA-N 1 0 280.368 3.484 20 5 CGBDRO CCCSC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001308637797 933147716 /nfs/dbraw/zinc/14/77/16/933147716.db2.gz QUASRGCIVFEWRC-NSHDSACASA-N 1 0 298.408 3.225 20 5 CGBDRO CC(C)(C)CC[NH+]1CC(Oc2ccc([N+](=O)[O-])cc2)C1 ZINC001308810096 933181612 /nfs/dbraw/zinc/18/16/12/933181612.db2.gz SFBSJCBMQMXERP-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383920 933865770 /nfs/dbraw/zinc/86/57/70/933865770.db2.gz PAYXOIPCKOCGJR-VBNZEHGJSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC001474763463 934225137 /nfs/dbraw/zinc/22/51/37/934225137.db2.gz XVXOQAAEIVVZIS-NWDGAFQWSA-N 1 0 268.744 3.382 20 5 CGBDRO Cc1cc(OCCc2ccc([N+](=O)[O-])cc2)cc(C)[nH+]1 ZINC001323342013 934389285 /nfs/dbraw/zinc/38/92/85/934389285.db2.gz ITFZIMZMASUSSQ-UHFFFAOYSA-N 1 0 272.304 3.228 20 5 CGBDRO CC[NH+](CC)C1CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC001324270894 934479248 /nfs/dbraw/zinc/47/92/48/934479248.db2.gz GIQBGWPLVDZZMV-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccn2C2CC2)cc1 ZINC001324364540 934492597 /nfs/dbraw/zinc/49/25/97/934492597.db2.gz MVQWEEHKZZNBJJ-UHFFFAOYSA-N 1 0 285.347 3.064 20 5 CGBDRO CC(C)c1ccc([C@H]([NH2+]CC[N+](=O)[O-])C(C)C)cc1 ZINC001473337371 937802601 /nfs/dbraw/zinc/80/26/01/937802601.db2.gz GZTLHICSKBURDU-OAHLLOKOSA-N 1 0 264.369 3.373 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\C1CC1 ZINC001326288064 934966002 /nfs/dbraw/zinc/96/60/02/934966002.db2.gz ZUTOEDDTULEGLD-DSYXLKISSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@H](C)c1ccccc1C(F)(F)F ZINC001336045862 936173540 /nfs/dbraw/zinc/17/35/40/936173540.db2.gz IICFSDLOTNDJPG-VHSXEESVSA-N 1 0 290.285 3.064 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCCCO1 ZINC001474516899 937864292 /nfs/dbraw/zinc/86/42/92/937864292.db2.gz LYNCCNBFYVZRFP-MRXNPFEDSA-N 1 0 292.379 3.028 20 5 CGBDRO CC(C)SCC[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001474728449 937877446 /nfs/dbraw/zinc/87/74/46/937877446.db2.gz XZUCVBLNEONPNQ-GFCCVEGCSA-N 1 0 282.409 3.430 20 5 CGBDRO CCC[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001559632890 938231414 /nfs/dbraw/zinc/23/14/14/938231414.db2.gz RGSWWEZUBYZYQN-AWEZNQCLSA-N 1 0 292.379 3.486 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C)c(C)c([N+](=O)[O-])c1 ZINC001230471390 957847194 /nfs/dbraw/zinc/84/71/94/957847194.db2.gz DTMTUQVHJYKEKD-LBPRGKRZSA-N 1 0 280.368 3.321 20 5 CGBDRO C[C@@H]([NH3+])c1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001576168727 962441690 /nfs/dbraw/zinc/44/16/90/962441690.db2.gz LYOVHEPTNRIWCK-SNVBAGLBSA-N 1 0 257.293 3.358 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338012884 214361238 /nfs/dbraw/zinc/36/12/38/214361238.db2.gz PAYMSSCCLJYYHS-IUODEOHRSA-N 1 0 292.379 3.187 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000591061812 346897297 /nfs/dbraw/zinc/89/72/97/346897297.db2.gz JFNXLOGSXDDZAL-CQSZACIVSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@H](N[C@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535820 529668692 /nfs/dbraw/zinc/66/86/92/529668692.db2.gz YMXGPJFVMISOTH-JKSUJKDBSA-N 1 0 291.395 3.153 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000126423962 187239675 /nfs/dbraw/zinc/23/96/75/187239675.db2.gz DDJFUGGZEYASNI-LBPRGKRZSA-N 1 0 282.409 3.211 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592133928 346965966 /nfs/dbraw/zinc/96/59/66/346965966.db2.gz ACRFPEAGYBPRQF-SWLSCSKDSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186238 346969933 /nfs/dbraw/zinc/96/99/33/346969933.db2.gz BEHWCDGFYQAGIP-ZDUSSCGKSA-N 1 0 290.363 3.128 20 5 CGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)CC2(CCCC2)O1 ZINC000592188348 346970312 /nfs/dbraw/zinc/97/03/12/346970312.db2.gz MUMNOVYIZPGXCJ-ZDUSSCGKSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)CC(F)F)cc1[N+](=O)[O-] ZINC000592372485 346979527 /nfs/dbraw/zinc/97/95/27/346979527.db2.gz AGBKFDOSPHEEIG-SECBINFHSA-N 1 0 272.295 3.284 20 5 CGBDRO C[N@H+](Cc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042977375 344991506 /nfs/dbraw/zinc/99/15/06/344991506.db2.gz LFAKODPKMBUROF-UHFFFAOYSA-N 1 0 262.334 3.288 20 5 CGBDRO CCCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C1CC1 ZINC000051854637 345093414 /nfs/dbraw/zinc/09/34/14/345093414.db2.gz UFGJXDJWAIXYAC-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccco1 ZINC000055898703 345157619 /nfs/dbraw/zinc/15/76/19/345157619.db2.gz GECRMDXEMOLJIV-UHFFFAOYSA-N 1 0 290.319 3.089 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1ccccc1 ZINC000063256059 345244611 /nfs/dbraw/zinc/24/46/11/345244611.db2.gz ZRPCGIFPLQQRHB-ZDUSSCGKSA-N 1 0 291.376 3.371 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(c3ccccc3)CC2)cc1 ZINC000077379261 345571203 /nfs/dbraw/zinc/57/12/03/345571203.db2.gz APVWHVDFQOSHKL-UHFFFAOYSA-N 1 0 298.342 3.253 20 5 CGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090810023 345794816 /nfs/dbraw/zinc/79/48/16/345794816.db2.gz SYKPTYHBSMKNAG-DOMZBBRYSA-N 1 0 294.395 3.289 20 5 CGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090810025 345794870 /nfs/dbraw/zinc/79/48/70/345794870.db2.gz SYKPTYHBSMKNAG-IUODEOHRSA-N 1 0 294.395 3.289 20 5 CGBDRO Cc1ccc(C[NH2+]CC2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000130729826 346060162 /nfs/dbraw/zinc/06/01/62/346060162.db2.gz QHMSGMOCPHKARZ-UHFFFAOYSA-N 1 0 260.337 3.183 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000134392223 346081442 /nfs/dbraw/zinc/08/14/42/346081442.db2.gz SWPRHAINPNIPMH-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295130256 199362121 /nfs/dbraw/zinc/36/21/21/199362121.db2.gz ATTIETCBNGUTDC-RISCZKNCSA-N 1 0 278.352 3.121 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000283361956 346420153 /nfs/dbraw/zinc/42/01/53/346420153.db2.gz BYJVKUSMRRMTOR-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC12CCCC2 ZINC000593647264 347098310 /nfs/dbraw/zinc/09/83/10/347098310.db2.gz ZVYWBWUYUSHISL-UHFFFAOYSA-N 1 0 260.337 3.422 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000593608041 347095028 /nfs/dbraw/zinc/09/50/28/347095028.db2.gz IWZAKVGKCCBZFU-CQSZACIVSA-N 1 0 294.395 3.178 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000404301864 346599400 /nfs/dbraw/zinc/59/94/00/346599400.db2.gz ZWJWJOFXAAXFMF-CYBMUJFWSA-N 1 0 277.349 3.292 20 5 CGBDRO O=[N+]([O-])c1cccc(CNC2(C(F)F)CCCC2)c1 ZINC000588934429 346776683 /nfs/dbraw/zinc/77/66/83/346776683.db2.gz WVEIAVMDBBFBPW-UHFFFAOYSA-N 1 0 270.279 3.262 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593698801 347105229 /nfs/dbraw/zinc/10/52/29/347105229.db2.gz XGUKNQBMQQMBLZ-CYBMUJFWSA-N 1 0 282.290 3.134 20 5 CGBDRO CC(C)C[N@H+](C)CCCN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593715231 347106537 /nfs/dbraw/zinc/10/65/37/347106537.db2.gz JRDJHWCGFHYTHO-CQSZACIVSA-N 1 0 293.411 3.223 20 5 CGBDRO CCC[NH+](CCC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589494245 346798318 /nfs/dbraw/zinc/79/83/18/346798318.db2.gz FWSQGAYWZWGKHK-UHFFFAOYSA-N 1 0 294.351 3.003 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cs1 ZINC000594508930 347182322 /nfs/dbraw/zinc/18/23/22/347182322.db2.gz DSUPTZIDDSXXTL-TZMCWYRMSA-N 1 0 296.392 3.094 20 5 CGBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000594508550 347182353 /nfs/dbraw/zinc/18/23/53/347182353.db2.gz CWNITKZFVKTZST-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000594992910 347251457 /nfs/dbraw/zinc/25/14/57/347251457.db2.gz LBUSJPIVYPPTQT-OAHLLOKOSA-N 1 0 262.353 3.427 20 5 CGBDRO Cc1ccc(C[NH2+]CCCc2ccco2)cc1[N+](=O)[O-] ZINC000594996820 347252059 /nfs/dbraw/zinc/25/20/59/347252059.db2.gz FAOPMRKMKOCGRG-UHFFFAOYSA-N 1 0 274.320 3.219 20 5 CGBDRO CC1(C)OCC[C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594995246 347252088 /nfs/dbraw/zinc/25/20/88/347252088.db2.gz LNLJFSSNNZYVOD-VSKVDJIOSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594733099 347215040 /nfs/dbraw/zinc/21/50/40/347215040.db2.gz XNZUTLLSCBSUEW-CABZTGNLSA-N 1 0 270.279 3.291 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)c1ccccn1 ZINC000594957329 347239854 /nfs/dbraw/zinc/23/98/54/347239854.db2.gz YQGXIJWZDQAPIM-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594956311 347239884 /nfs/dbraw/zinc/23/98/84/347239884.db2.gz JDYGVISNPOPGFH-OAHLLOKOSA-N 1 0 292.379 3.198 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000594961088 347242219 /nfs/dbraw/zinc/24/22/19/347242219.db2.gz DZMJDNFFHNAFNF-CYBMUJFWSA-N 1 0 292.379 3.375 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595106739 347285122 /nfs/dbraw/zinc/28/51/22/347285122.db2.gz KDLCYZHCLQBUHS-WCQYABFASA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000595297126 347288069 /nfs/dbraw/zinc/28/80/69/347288069.db2.gz POJQAOFGMCZZLL-NSHDSACASA-N 1 0 281.356 3.292 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595304450 347289977 /nfs/dbraw/zinc/28/99/77/347289977.db2.gz FSQJRYZISMTWJM-LBPRGKRZSA-N 1 0 252.289 3.108 20 5 CGBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595327995 347293363 /nfs/dbraw/zinc/29/33/63/347293363.db2.gz TXSFNASOSCXONP-USWWRNFRSA-N 1 0 279.340 3.044 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000595344922 347295112 /nfs/dbraw/zinc/29/51/12/347295112.db2.gz ONNLSMIRDYIZOM-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO Cc1noc(C[N@@H+](C(C)C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595367332 347296617 /nfs/dbraw/zinc/29/66/17/347296617.db2.gz ZEJFWUJDROFXOO-UHFFFAOYSA-N 1 0 281.356 3.434 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595408875 347299432 /nfs/dbraw/zinc/29/94/32/347299432.db2.gz CLAUWRBXQJTKKR-ZWNOBZJWSA-N 1 0 266.316 3.497 20 5 CGBDRO CC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006131 347254380 /nfs/dbraw/zinc/25/43/80/347254380.db2.gz HSUZZNQVZPOTDW-ZJUUUORDSA-N 1 0 252.314 3.053 20 5 CGBDRO C[C@@H]([NH2+]C1CC(CF)(CF)C1)c1cccc([N+](=O)[O-])c1 ZINC000595005088 347254480 /nfs/dbraw/zinc/25/44/80/347254480.db2.gz CMIIJVIOAWGBMZ-SNVBAGLBSA-N 1 0 284.306 3.333 20 5 CGBDRO CCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595008890 347255776 /nfs/dbraw/zinc/25/57/76/347255776.db2.gz XKSZEFJNLRTVRC-JTQLQIEISA-N 1 0 252.314 3.054 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)SC ZINC000595036091 347265339 /nfs/dbraw/zinc/26/53/39/347265339.db2.gz OTIXHUXBYVWOAF-ZJUUUORDSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(C)(F)F ZINC000595039754 347266196 /nfs/dbraw/zinc/26/61/96/347266196.db2.gz CBYNUJVJRILNBD-VIFPVBQESA-N 1 0 288.294 3.299 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COC(C)(C)C1 ZINC000595048737 347269573 /nfs/dbraw/zinc/26/95/73/347269573.db2.gz MANYTPZOTYDRQG-TZMCWYRMSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(SC)CC1 ZINC000595055091 347270978 /nfs/dbraw/zinc/27/09/78/347270978.db2.gz ROKBBTNWBSJHBI-SNVBAGLBSA-N 1 0 296.392 3.150 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056927 347272470 /nfs/dbraw/zinc/27/24/70/347272470.db2.gz SSYOPRAKZWENGL-HZPDHXFCSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595079242 347278713 /nfs/dbraw/zinc/27/87/13/347278713.db2.gz IYTYNKPZSGPMAW-JMSVASOKSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)(F)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595085283 347279979 /nfs/dbraw/zinc/27/99/79/347279979.db2.gz JTGSGBSSDCZEQL-GFCCVEGCSA-N 1 0 266.316 3.310 20 5 CGBDRO C[C@H]([NH2+]CCC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000595087709 347280335 /nfs/dbraw/zinc/28/03/35/347280335.db2.gz OKZCPUZGRUWIDB-JTQLQIEISA-N 1 0 254.305 3.384 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CCC(O)CC1 ZINC000595096086 347282862 /nfs/dbraw/zinc/28/28/62/347282862.db2.gz ZTLQENAOXMDRCB-OPFPJEHXSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595593996 347322905 /nfs/dbraw/zinc/32/29/05/347322905.db2.gz VPTMYQOUHLMTTN-LLVKDONJSA-N 1 0 294.351 3.082 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755530 347350812 /nfs/dbraw/zinc/35/08/12/347350812.db2.gz NKSWDNOJXQPQCJ-GFCCVEGCSA-N 1 0 296.342 3.175 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(CC(C)C)CC1 ZINC000595835587 347363525 /nfs/dbraw/zinc/36/35/25/347363525.db2.gz UQIDEUQUZBLEHH-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000596087637 347382014 /nfs/dbraw/zinc/38/20/14/347382014.db2.gz GDUGIACTYDEASZ-JTQLQIEISA-N 1 0 283.397 3.109 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056071 347711435 /nfs/dbraw/zinc/71/14/35/347711435.db2.gz JGVMGUPGGMPGBZ-XJKSGUPXSA-N 1 0 292.379 3.452 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CC=CC1 ZINC000599064189 347713478 /nfs/dbraw/zinc/71/34/78/347713478.db2.gz KTGOPMLZZDJRFZ-NSHDSACASA-N 1 0 276.336 3.220 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599069846 347713704 /nfs/dbraw/zinc/71/37/04/347713704.db2.gz WBYIXHLQXGILHH-HIFRSBDPSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[C@H](N[C@@H]1CC[C@@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600712151 347830123 /nfs/dbraw/zinc/83/01/23/347830123.db2.gz XBDVXEPUHNODFL-XPKDYRNWSA-N 1 0 291.395 3.166 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc([C@H]3CC[NH2+]C3)c2)cc1 ZINC000600784565 347835350 /nfs/dbraw/zinc/83/53/50/347835350.db2.gz MLNHAOGDJXIQBD-HNNXBMFYSA-N 1 0 268.316 3.339 20 5 CGBDRO Cc1ccc(-c2ccc([C@H]3COCC[NH2+]3)cc2)cc1[N+](=O)[O-] ZINC000600790648 347836679 /nfs/dbraw/zinc/83/66/79/347836679.db2.gz LYRCUBCSENFRSA-MRXNPFEDSA-N 1 0 298.342 3.231 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]12C[C@@H]1CCCC2 ZINC000601148595 347875064 /nfs/dbraw/zinc/87/50/64/347875064.db2.gz DQUBPXAEVXUYPK-ZFWWWQNUSA-N 1 0 260.337 3.326 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)F ZINC000601287278 347888946 /nfs/dbraw/zinc/88/89/46/347888946.db2.gz GJVUXPFKJMAXQC-NSHDSACASA-N 1 0 268.332 3.254 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000601300287 347889965 /nfs/dbraw/zinc/88/99/65/347889965.db2.gz YELISTVZWMHROP-OXJKWZBOSA-N 1 0 278.352 3.120 20 5 CGBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)sn1 ZINC000602610209 347992726 /nfs/dbraw/zinc/99/27/26/347992726.db2.gz GRAQLDPYROVNEV-UHFFFAOYSA-N 1 0 291.376 3.385 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000602636856 347997710 /nfs/dbraw/zinc/99/77/10/347997710.db2.gz YKRDXRYWRHAZST-UBSAEIQESA-N 1 0 260.337 3.039 20 5 CGBDRO Cc1nocc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000602673474 348005679 /nfs/dbraw/zinc/00/56/79/348005679.db2.gz BXQBOMPOUYPYCG-LLVKDONJSA-N 1 0 289.335 3.002 20 5 CGBDRO Cn1cc(C[NH2+][C@@H]2CCCC[C@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602787202 348029423 /nfs/dbraw/zinc/02/94/23/348029423.db2.gz IUHDXESCNSHKLG-CHWSQXEVSA-N 1 0 294.399 3.023 20 5 CGBDRO CSCC1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602711685 348015946 /nfs/dbraw/zinc/01/59/46/348015946.db2.gz VKQOHURPKCOJIO-UHFFFAOYSA-N 1 0 294.420 3.260 20 5 CGBDRO Cc1c(C[NH+]2C[C@@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000603836666 348097381 /nfs/dbraw/zinc/09/73/81/348097381.db2.gz XUDJZZDCRHVWLL-RYUDHWBXSA-N 1 0 262.353 3.381 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609353983 348342647 /nfs/dbraw/zinc/34/26/47/348342647.db2.gz FEKTVHFQDSLUPC-QWRGUYRKSA-N 1 0 283.397 3.331 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610832650 348405869 /nfs/dbraw/zinc/40/58/69/348405869.db2.gz WXWZFKVUYGJGBW-XBFCOCLRSA-N 1 0 292.379 3.369 20 5 CGBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CC1 ZINC000610581112 348391327 /nfs/dbraw/zinc/39/13/27/348391327.db2.gz KQPGRECTLIZYGE-UHFFFAOYSA-N 1 0 289.335 3.356 20 5 CGBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(C)C ZINC000610581695 348391467 /nfs/dbraw/zinc/39/14/67/348391467.db2.gz BCEHBIGHURKONJ-UHFFFAOYSA-N 1 0 277.324 3.214 20 5 CGBDRO C[C@H](Nc1ccc([N+](=O)[O-])s1)C(C)(C)C[NH+](C)C ZINC000610726139 348399466 /nfs/dbraw/zinc/39/94/66/348399466.db2.gz YHHTUGNTVJMFBG-VIFPVBQESA-N 1 0 271.386 3.045 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000611337328 348438891 /nfs/dbraw/zinc/43/88/91/348438891.db2.gz QOGKBOBUKFEQIQ-CYBMUJFWSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1ccccc1[N+](=O)[O-] ZINC000611377060 348442797 /nfs/dbraw/zinc/44/27/97/348442797.db2.gz PUEBPMPOPZHJCS-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO O=[N+]([O-])c1cnc2c(c1)CN([C@@H]1CCc3ccccc31)CC2 ZINC000618753811 349152939 /nfs/dbraw/zinc/15/29/39/349152939.db2.gz WQRASCVEIPCMBM-QGZVFWFLSA-N 1 0 295.342 3.035 20 5 CGBDRO CC(C)CC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000352151735 219337639 /nfs/dbraw/zinc/33/76/39/219337639.db2.gz UJWNQLGFAHKVJS-LLVKDONJSA-N 1 0 290.367 3.385 20 5 CGBDRO CC(C)([NH2+]C[C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000291667808 198056809 /nfs/dbraw/zinc/05/68/09/198056809.db2.gz FXKPLNRQQAWXLL-NSHDSACASA-N 1 0 280.393 3.173 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000292378361 198265502 /nfs/dbraw/zinc/26/55/02/198265502.db2.gz JJHAYUFXAHZPBI-CYBMUJFWSA-N 1 0 294.420 3.478 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157963555 188350058 /nfs/dbraw/zinc/35/00/58/188350058.db2.gz OYBCMMGIGZDIHJ-PJODQICGSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000158507572 188380318 /nfs/dbraw/zinc/38/03/18/188380318.db2.gz JGQFAKBRALSUKV-LBPRGKRZSA-N 1 0 273.336 3.093 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCC1CC1 ZINC000158620462 188385693 /nfs/dbraw/zinc/38/56/93/188385693.db2.gz CKNPGTSYJXKYHN-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[C@H](O)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167389637 188642653 /nfs/dbraw/zinc/64/26/53/188642653.db2.gz NYKVNWIQYLJBKR-LBPRGKRZSA-N 1 0 289.335 3.024 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000272553320 191784663 /nfs/dbraw/zinc/78/46/63/191784663.db2.gz DEFQZHOAQIHIGO-STQMWFEESA-N 1 0 280.368 3.105 20 5 CGBDRO COC1([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414316779 235386865 /nfs/dbraw/zinc/38/68/65/235386865.db2.gz OLWBZWYDBKRUFG-RYUDHWBXSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)cccc1[N+](=O)[O-] ZINC000414348008 235393297 /nfs/dbraw/zinc/39/32/97/235393297.db2.gz WKKHLRQRASNMBX-MJBXVCDLSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293746516 198756173 /nfs/dbraw/zinc/75/61/73/198756173.db2.gz NVRNTZDILFTJGC-SNVBAGLBSA-N 1 0 291.376 3.132 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123639411 138368640 /nfs/dbraw/zinc/36/86/40/138368640.db2.gz OJYPNLBSAISGSQ-CVEARBPZSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1ccc([C@@H](C)N[C@@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501475 236088672 /nfs/dbraw/zinc/08/86/72/236088672.db2.gz DQDPJWBYDUZQKF-DOMZBBRYSA-N 1 0 291.395 3.071 20 5 CGBDRO CC(C)[NH+](CCNc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000312711817 138586682 /nfs/dbraw/zinc/58/66/82/138586682.db2.gz DISPWPPQHGXFDC-UHFFFAOYSA-N 1 0 283.347 3.265 20 5 CGBDRO CCSCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803958 199190022 /nfs/dbraw/zinc/19/00/22/199190022.db2.gz PCPGNJVPULYZIH-MNOVXSKESA-N 1 0 297.424 3.359 20 5 CGBDRO COC[C@@]1(C)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843837 200012605 /nfs/dbraw/zinc/01/26/05/200012605.db2.gz SVHCKWUZVSXTLR-DOMZBBRYSA-N 1 0 278.352 3.014 20 5 CGBDRO CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000352847484 219681093 /nfs/dbraw/zinc/68/10/93/219681093.db2.gz CXKKXNSGTNWTTM-GDBMZVCRSA-N 1 0 292.379 3.136 20 5 CGBDRO COC1(C)CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000342178265 216248588 /nfs/dbraw/zinc/24/85/88/216248588.db2.gz MJPZLHJQKGSPQF-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1cncc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181829909 189307451 /nfs/dbraw/zinc/30/74/51/189307451.db2.gz YVZXHSFVTSBFNZ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000342329267 216313104 /nfs/dbraw/zinc/31/31/04/216313104.db2.gz HTFCRTALXFPPFT-GHMZBOCLSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000182771506 189334334 /nfs/dbraw/zinc/33/43/34/189334334.db2.gz ACUQHHBQUZXZGH-KGLIPLIRSA-N 1 0 292.379 3.323 20 5 CGBDRO C[C@H](CCNc1ccccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302111940 201345474 /nfs/dbraw/zinc/34/54/74/201345474.db2.gz BCSMYKXSIIVYMS-CYBMUJFWSA-N 1 0 277.368 3.271 20 5 CGBDRO CC1(C)CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000119931264 370722946 /nfs/dbraw/zinc/72/29/46/370722946.db2.gz HSCAAWLFXVOJMZ-GJZGRUSLSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H](c1cccnc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000120508577 370774161 /nfs/dbraw/zinc/77/41/61/370774161.db2.gz QIOQMGRSZYQOII-GFCCVEGCSA-N 1 0 271.320 3.183 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000451463635 240307553 /nfs/dbraw/zinc/30/75/53/240307553.db2.gz XVYZCGODJUSCQV-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO CS[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309822 240272217 /nfs/dbraw/zinc/27/22/17/240272217.db2.gz DUGAPSXRNVQKMB-GXFFZTMASA-N 1 0 266.366 3.093 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000221019653 189723814 /nfs/dbraw/zinc/72/38/14/189723814.db2.gz LOKURYDMFBIIIB-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1ncc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000459679218 242178925 /nfs/dbraw/zinc/17/89/25/242178925.db2.gz SQLDDGHGSMYEOD-NSHDSACASA-N 1 0 289.335 3.002 20 5 CGBDRO COc1ccc(C[N@H+](C)C2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000459740227 242200503 /nfs/dbraw/zinc/20/05/03/242200503.db2.gz TYYWPBUACWNWHH-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463494552 242399679 /nfs/dbraw/zinc/39/96/79/242399679.db2.gz XALWCCJTRLZNTP-SNVBAGLBSA-N 1 0 284.331 3.363 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000482952990 243253748 /nfs/dbraw/zinc/25/37/48/243253748.db2.gz VWBVLIJCWZYIDZ-QGZVFWFLSA-N 1 0 298.342 3.421 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CCC(C)(C)O1 ZINC000330615933 203042921 /nfs/dbraw/zinc/04/29/21/203042921.db2.gz VEZNGGRHBLZYNR-CQSZACIVSA-N 1 0 292.379 3.027 20 5 CGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000020007116 368793818 /nfs/dbraw/zinc/79/38/18/368793818.db2.gz YHTWLQINBQXTIW-LLVKDONJSA-N 1 0 283.759 3.144 20 5 CGBDRO C[C@H]([NH2+]CCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035121803 368999717 /nfs/dbraw/zinc/99/97/17/368999717.db2.gz YDWFJDMHEDTQDG-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO CC(C)[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037117810 369063027 /nfs/dbraw/zinc/06/30/27/369063027.db2.gz IOTIHHADYUXQGS-ZDUSSCGKSA-N 1 0 291.395 3.118 20 5 CGBDRO CCOc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037668241 369098855 /nfs/dbraw/zinc/09/88/55/369098855.db2.gz UYWTUOPKAHJBQM-UHFFFAOYSA-N 1 0 286.331 3.283 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000037010419 369050358 /nfs/dbraw/zinc/05/03/58/369050358.db2.gz DTFUKJWHLZVCSP-INIZCTEOSA-N 1 0 285.347 3.273 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000040506660 369159744 /nfs/dbraw/zinc/15/97/44/369159744.db2.gz OEBCKIUUNWPYFV-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO CCC[C@H](N[C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553718 369408713 /nfs/dbraw/zinc/40/87/13/369408713.db2.gz IILYKMLIQFPNSO-CJNGLKHVSA-N 1 0 293.411 3.366 20 5 CGBDRO CC[C@@H]([NH2+]CCN1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000049574601 369411086 /nfs/dbraw/zinc/41/10/86/369411086.db2.gz HJJHLLGAYRRRQZ-MRXNPFEDSA-N 1 0 291.395 3.121 20 5 CGBDRO Cc1ccsc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000055483352 369519100 /nfs/dbraw/zinc/51/91/00/369519100.db2.gz GLILELOIFYEYNU-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CCOC(CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000276310079 193282183 /nfs/dbraw/zinc/28/21/83/193282183.db2.gz OJRIMNLIDXNINM-GFCCVEGCSA-N 1 0 296.367 3.035 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H](C)SC)cc1[N+](=O)[O-] ZINC000090725450 370066985 /nfs/dbraw/zinc/06/69/85/370066985.db2.gz QMAMRNXIGAZNCQ-GHMZBOCLSA-N 1 0 298.408 3.396 20 5 CGBDRO CCOC[C@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093419082 370127526 /nfs/dbraw/zinc/12/75/26/370127526.db2.gz MGZJDIFXKWLPBT-HNNXBMFYSA-N 1 0 292.379 3.152 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000103482357 370330823 /nfs/dbraw/zinc/33/08/23/370330823.db2.gz KURPTRISJHXQRS-AWEZNQCLSA-N 1 0 278.327 3.498 20 5 CGBDRO COCC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000112354808 370423641 /nfs/dbraw/zinc/42/36/41/370423641.db2.gz QSYMAEKNURMQAB-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1c(C)cccc1[N+](=O)[O-] ZINC000220304452 376207433 /nfs/dbraw/zinc/20/74/33/376207433.db2.gz BMHQQHUMFPWHPO-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO CCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000151030999 371560721 /nfs/dbraw/zinc/56/07/21/371560721.db2.gz XMTINTOWSJOYSC-CQSZACIVSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(C)COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000337310743 376207957 /nfs/dbraw/zinc/20/79/57/376207957.db2.gz BIAPCIVHLGQVBM-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000421856301 371679022 /nfs/dbraw/zinc/67/90/22/371679022.db2.gz NHQNXSABBYBORX-CYBMUJFWSA-N 1 0 292.379 3.249 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ncc(Cl)s1 ZINC000344067616 217034372 /nfs/dbraw/zinc/03/43/72/217034372.db2.gz RMOLCAKAPMGLQO-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO CCCC[N@H+](CC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000158976094 372095311 /nfs/dbraw/zinc/09/53/11/372095311.db2.gz YJVLHBBBSRPEQA-UHFFFAOYSA-N 1 0 296.367 3.234 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000159281181 372126686 /nfs/dbraw/zinc/12/66/86/372126686.db2.gz BVYPJKGVBIKHSM-AWEZNQCLSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+](C2CCC2)C2CCC2)c1 ZINC000429132290 372316951 /nfs/dbraw/zinc/31/69/51/372316951.db2.gz ZEMWZXMELZIKMJ-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO CC[C@@H](F)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261384 372330663 /nfs/dbraw/zinc/33/06/63/372330663.db2.gz PMAJQBWSYBQQMB-SNVBAGLBSA-N 1 0 254.305 3.168 20 5 CGBDRO COC1(C[C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000429413436 372361706 /nfs/dbraw/zinc/36/17/06/372361706.db2.gz ATEXDZTTXSQETG-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO CS[C@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344332727 217154628 /nfs/dbraw/zinc/15/46/28/217154628.db2.gz ZJEVMZCHPJTVAQ-NEPJUHHUSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@H](N[C@H]1C[C@@H](C)n2ccnc21)c1cccc([N+](=O)[O-])c1 ZINC000294172129 372601538 /nfs/dbraw/zinc/60/15/38/372601538.db2.gz RNOVCFWKBPNFRT-SUNKGSAMSA-N 1 0 286.335 3.148 20 5 CGBDRO CSC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168130545 372606521 /nfs/dbraw/zinc/60/65/21/372606521.db2.gz VGPULVIBOZWINT-MRVPVSSYSA-N 1 0 274.773 3.089 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000344591161 217240247 /nfs/dbraw/zinc/24/02/47/217240247.db2.gz MGLXMJRNRLNKTF-HNNXBMFYSA-N 1 0 271.320 3.231 20 5 CGBDRO CC1(C)CCC[C@@](O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000438349509 372934561 /nfs/dbraw/zinc/93/45/61/372934561.db2.gz OBDNGDLPIYZVIW-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447600701 373463894 /nfs/dbraw/zinc/46/38/94/373463894.db2.gz NBPZDWBMMLTCKW-RFGFWPKPSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000301100869 373661495 /nfs/dbraw/zinc/66/14/95/373661495.db2.gz ONFAEXYHCBTDMF-RYUDHWBXSA-N 1 0 295.358 3.266 20 5 CGBDRO CC(C)C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])[NH+](C)C ZINC000301113920 373665009 /nfs/dbraw/zinc/66/50/09/373665009.db2.gz UKVWJHJPHLVZQT-NSHDSACASA-N 1 0 283.347 3.122 20 5 CGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1F)C(C)(C)C[NH+](C)C ZINC000301368199 373762072 /nfs/dbraw/zinc/76/20/72/373762072.db2.gz TVSPXTDJCDTUAE-JTQLQIEISA-N 1 0 283.347 3.122 20 5 CGBDRO Cc1cccc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1[N+](=O)[O-] ZINC000302514377 373886107 /nfs/dbraw/zinc/88/61/07/373886107.db2.gz UPJHEKQYCHNHQB-AWEZNQCLSA-N 1 0 291.395 3.293 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000308740847 374177796 /nfs/dbraw/zinc/17/77/96/374177796.db2.gz ORCDOMJONPGBKK-GFCCVEGCSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602134 374695876 /nfs/dbraw/zinc/69/58/76/374695876.db2.gz ZEKQYTWZHUEFLO-MWLCHTKSSA-N 1 0 254.355 3.277 20 5 CGBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472264965 375014748 /nfs/dbraw/zinc/01/47/48/375014748.db2.gz QNWWSPNGLYBMRU-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO CCOC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000189356013 375374052 /nfs/dbraw/zinc/37/40/52/375374052.db2.gz PAGIDKRPIAYDHN-DOMZBBRYSA-N 1 0 280.368 3.307 20 5 CGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000507146853 375678557 /nfs/dbraw/zinc/67/85/57/375678557.db2.gz XYMILYGFSFMMOH-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCCOC(F)F)cccc1[N+](=O)[O-] ZINC000194042237 375953051 /nfs/dbraw/zinc/95/30/51/375953051.db2.gz HJKFOJXDFNAYPA-JTQLQIEISA-N 1 0 288.294 3.183 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336810828 375963146 /nfs/dbraw/zinc/96/31/46/375963146.db2.gz JPTVQCSEHZTFCF-JQWIXIFHSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1cc(NCCCNc2ccccn2)ccc1[N+](=O)[O-] ZINC000194023419 375949821 /nfs/dbraw/zinc/94/98/21/375949821.db2.gz MNFLZPPCBFTJNE-UHFFFAOYSA-N 1 0 286.335 3.212 20 5 CGBDRO Cc1cc(NCC2(C)CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000227307215 376388132 /nfs/dbraw/zinc/38/81/32/376388132.db2.gz UOSWWEISNNBBDX-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C)cc1[N+](=O)[O-] ZINC000229657573 376467423 /nfs/dbraw/zinc/46/74/23/376467423.db2.gz RJOSPKSPHFJVMF-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCCO2)c(Cl)c1 ZINC000230147964 376486655 /nfs/dbraw/zinc/48/66/55/376486655.db2.gz GIKHAYYHSWWFCN-CYBMUJFWSA-N 1 0 298.770 3.297 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000230674115 376530474 /nfs/dbraw/zinc/53/04/74/376530474.db2.gz CBIZZSAPHNKLIR-YPMHNXCESA-N 1 0 278.352 3.129 20 5 CGBDRO Cc1c[nH+]ccc1NCc1cccc([N+](=O)[O-])c1C ZINC000231868332 376571880 /nfs/dbraw/zinc/57/18/80/376571880.db2.gz ZWHNBRHJNNZGLK-UHFFFAOYSA-N 1 0 257.293 3.219 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000231885857 376574585 /nfs/dbraw/zinc/57/45/85/376574585.db2.gz BGNQSMLMZQMBCE-CQSZACIVSA-N 1 0 290.363 3.095 20 5 CGBDRO CSC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000235231167 376637711 /nfs/dbraw/zinc/63/77/11/376637711.db2.gz JTLWUALMIQFAHE-UHFFFAOYSA-N 1 0 280.393 3.013 20 5 CGBDRO CC1=CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000339659499 376790447 /nfs/dbraw/zinc/79/04/47/376790447.db2.gz GBVJMHMOQVBAHT-UHFFFAOYSA-N 1 0 276.336 3.016 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](c2cccnc2)C2CC2)c1 ZINC000340103260 376916409 /nfs/dbraw/zinc/91/64/09/376916409.db2.gz APOOXEZOWPGBFV-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc(Cl)o2)c1 ZINC000340109598 376921089 /nfs/dbraw/zinc/92/10/89/376921089.db2.gz SQBZFCVRSOVEJL-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@H](C)F)c1cccc([N+](=O)[O-])c1 ZINC000340466539 377076643 /nfs/dbraw/zinc/07/66/43/377076643.db2.gz ZWSHCEWPWWUWBF-GXFFZTMASA-N 1 0 254.305 3.384 20 5 CGBDRO CC[C@H]([NH2+]CC[C@H](C)F)c1cccc([N+](=O)[O-])c1 ZINC000340466538 377076651 /nfs/dbraw/zinc/07/66/51/377076651.db2.gz ZWSHCEWPWWUWBF-GWCFXTLKSA-N 1 0 254.305 3.384 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340944530 377331589 /nfs/dbraw/zinc/33/15/89/377331589.db2.gz WOQUCGNXPVHQML-CORIIIEPSA-N 1 0 278.352 3.061 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340944534 377331960 /nfs/dbraw/zinc/33/19/60/377331960.db2.gz WOQUCGNXPVHQML-UXIGCNINSA-N 1 0 278.352 3.061 20 5 CGBDRO CCC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563418075 377459052 /nfs/dbraw/zinc/45/90/52/377459052.db2.gz OHFHROSZKBPUHW-ZDUSSCGKSA-N 1 0 260.337 3.362 20 5 CGBDRO C[C@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795029 249029086 /nfs/dbraw/zinc/02/90/86/249029086.db2.gz FPMFOTBLMDQZTG-ONGXEEELSA-N 1 0 283.759 3.143 20 5 CGBDRO C[C@H]([NH2+]CCOCC1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000313255819 249089858 /nfs/dbraw/zinc/08/98/58/249089858.db2.gz WQUDKPSVFODJTM-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+](CC2CC2)CC2CC2)c(F)c1 ZINC000312601827 249081093 /nfs/dbraw/zinc/08/10/93/249081093.db2.gz SFQHMNGSQSAQEW-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO CCCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000574051799 377611786 /nfs/dbraw/zinc/61/17/86/377611786.db2.gz YIXMLXQPJJCLCD-UHFFFAOYSA-N 1 0 272.295 3.493 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@H]1CCCO1 ZINC000342591038 377676844 /nfs/dbraw/zinc/67/68/44/377676844.db2.gz DFTISGQFBWNHSN-CHWSQXEVSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1ccnc([C@H]2CC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)c1 ZINC000575135316 377753135 /nfs/dbraw/zinc/75/31/35/377753135.db2.gz ZZISNGHMVJTQRR-HNNXBMFYSA-N 1 0 297.358 3.288 20 5 CGBDRO C[C@@H]1CC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[C@@H](C)O1 ZINC000575816216 377993271 /nfs/dbraw/zinc/99/32/71/377993271.db2.gz NKFHQTRHJNXNHE-UEKVPHQBSA-N 1 0 290.363 3.128 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000268982551 378164995 /nfs/dbraw/zinc/16/49/95/378164995.db2.gz PFMBDZDLISPDAQ-CJNGLKHVSA-N 1 0 294.395 3.177 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000582044966 378281467 /nfs/dbraw/zinc/28/14/67/378281467.db2.gz MOONPLXCVIWSCI-IUODEOHRSA-N 1 0 280.368 3.369 20 5 CGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271976949 378534155 /nfs/dbraw/zinc/53/41/55/378534155.db2.gz JFNIQWUALSYARX-STQMWFEESA-N 1 0 298.408 3.340 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCSC2)C2CC2)cc1 ZINC000278475732 194002705 /nfs/dbraw/zinc/00/27/05/194002705.db2.gz RDHLDJXKHJZQGY-CYBMUJFWSA-N 1 0 292.404 3.312 20 5 CGBDRO C/C=C\C[C@H](CO)[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000349311470 379224382 /nfs/dbraw/zinc/22/43/82/379224382.db2.gz JMXJZJZGNJYJCV-LDAMZSCKSA-N 1 0 292.379 3.353 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000277963428 379272963 /nfs/dbraw/zinc/27/29/63/379272963.db2.gz UICRDNAJBXXJLD-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO COc1cc(C[N@H+](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000352407906 379799034 /nfs/dbraw/zinc/79/90/34/379799034.db2.gz WESJMLMRGHSPQQ-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000352617389 379880415 /nfs/dbraw/zinc/88/04/15/379880415.db2.gz BTPQXWXRHWZFOK-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000388248400 379882178 /nfs/dbraw/zinc/88/21/78/379882178.db2.gz UZIKCQRMWPBLJA-PGUXBMHVSA-N 1 0 278.352 3.059 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000388236927 379882348 /nfs/dbraw/zinc/88/23/48/379882348.db2.gz PBUFEDRVCPMQQJ-OTYXRUKQSA-N 1 0 298.770 3.151 20 5 CGBDRO CC[C@@H]([NH2+]CCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402251326 379962919 /nfs/dbraw/zinc/96/29/19/379962919.db2.gz ADYBZBXKEBRRLZ-XJKSGUPXSA-N 1 0 292.379 3.452 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000353231499 380178203 /nfs/dbraw/zinc/17/82/03/380178203.db2.gz KGLWRPBRHPPVQE-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO C[C@@H](O)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417330370 380594469 /nfs/dbraw/zinc/59/44/69/380594469.db2.gz KUQCTXDBVDRHHH-WBMJQRKESA-N 1 0 292.379 3.113 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417333599 380596153 /nfs/dbraw/zinc/59/61/53/380596153.db2.gz GEMIVEYXSQSQHK-WCQYABFASA-N 1 0 290.363 3.444 20 5 CGBDRO CO[C@@H](C)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345791 380601562 /nfs/dbraw/zinc/60/15/62/380601562.db2.gz UXAVINIILYYJHN-BLLLJJGKSA-N 1 0 292.379 3.377 20 5 CGBDRO CC(C)[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000207393103 542283910 /nfs/dbraw/zinc/28/39/10/542283910.db2.gz YHNUBFWVKWYOPL-AWEZNQCLSA-N 1 0 262.353 3.463 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000360601417 381590593 /nfs/dbraw/zinc/59/05/93/381590593.db2.gz XJESFIZEVQCUEN-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC3(CC3)CC2)c1 ZINC000362928309 382152779 /nfs/dbraw/zinc/15/27/79/382152779.db2.gz QUEUKCORUXVLIM-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414221577 533008043 /nfs/dbraw/zinc/00/80/43/533008043.db2.gz DIYYRLWAMULIEM-OZVIIMIRSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)CC2CCC2)cccc1[N+](=O)[O-] ZINC000281151711 195125622 /nfs/dbraw/zinc/12/56/22/195125622.db2.gz ONMXXYDZNRDLMJ-OCCSQVGLSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]C2CCCCC2)n1 ZINC000408289710 285168893 /nfs/dbraw/zinc/16/88/93/285168893.db2.gz IPCDNVUSLJEBPB-KGLIPLIRSA-N 1 0 292.383 3.197 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000191046121 130175909 /nfs/dbraw/zinc/17/59/09/130175909.db2.gz DPKSKPSSNAUWSN-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000361944765 392371833 /nfs/dbraw/zinc/37/18/33/392371833.db2.gz IXTOCMMRTCZFEM-TVYUQYBPSA-N 1 0 266.366 3.139 20 5 CGBDRO CCC[C@H]([NH2+]CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000168887002 392610174 /nfs/dbraw/zinc/61/01/74/392610174.db2.gz JACMNWRRCAJCNS-HNNXBMFYSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@H]1CC[C@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026377 392818732 /nfs/dbraw/zinc/81/87/32/392818732.db2.gz CDHQHVUYGATGJT-BLLLJJGKSA-N 1 0 290.363 3.127 20 5 CGBDRO CC1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000525639254 392943514 /nfs/dbraw/zinc/94/35/14/392943514.db2.gz ZUIGRXCEJYYDQX-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000194940539 392947660 /nfs/dbraw/zinc/94/76/60/392947660.db2.gz CXVLZCONOVACBP-CQSZACIVSA-N 1 0 298.408 3.437 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000248770146 393094985 /nfs/dbraw/zinc/09/49/85/393094985.db2.gz PTPKLKJIEXZCMB-TUKIKUTGSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470175663 393228776 /nfs/dbraw/zinc/22/87/76/393228776.db2.gz RFNCQDXOLLYCGX-WQMJKPAKSA-N 1 0 290.363 3.109 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCC1 ZINC000470178154 393231548 /nfs/dbraw/zinc/23/15/48/393231548.db2.gz IJKQSAPPXWRRBM-XFXZXTDPSA-N 1 0 260.337 3.482 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000471174233 393276998 /nfs/dbraw/zinc/27/69/98/393276998.db2.gz YPUXVAZARSKVBP-QGZVFWFLSA-N 1 0 298.342 3.421 20 5 CGBDRO Cc1cc(NCC[C@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420157210 393431426 /nfs/dbraw/zinc/43/14/26/393431426.db2.gz OMLMPNQNHKWNHQ-QMMMGPOBSA-N 1 0 291.273 3.071 20 5 CGBDRO Cc1cc(N[C@@H](C)[C@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420269629 393445968 /nfs/dbraw/zinc/44/59/68/393445968.db2.gz UFSGPUQXMYVQAL-YUMQZZPRSA-N 1 0 291.273 3.070 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC(C(C)C)C1 ZINC000488422957 393507341 /nfs/dbraw/zinc/50/73/41/393507341.db2.gz AJDVZYGUUINCLG-UHFFFAOYSA-N 1 0 278.352 3.128 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430194774 393535696 /nfs/dbraw/zinc/53/56/96/393535696.db2.gz KXOAIQZCWSALDE-NSHDSACASA-N 1 0 266.341 3.081 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)C1CCC1 ZINC000430199656 393537547 /nfs/dbraw/zinc/53/75/47/393537547.db2.gz DAYRURNKURMOGD-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)c1nccc(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000450547931 394014959 /nfs/dbraw/zinc/01/49/59/394014959.db2.gz FSTCBMBXZFQGJY-NSHDSACASA-N 1 0 286.335 3.103 20 5 CGBDRO C[C@H](c1ccco1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000069066469 165049085 /nfs/dbraw/zinc/04/90/85/165049085.db2.gz RODHEGJMFRMRLB-GFCCVEGCSA-N 1 0 274.320 3.423 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cs1 ZINC000075769146 165105237 /nfs/dbraw/zinc/10/52/37/165105237.db2.gz FWDPOVFYRFGMJB-RYUDHWBXSA-N 1 0 266.366 3.421 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000090224490 165232600 /nfs/dbraw/zinc/23/26/00/165232600.db2.gz RIHHAFBZOHHBQP-AWEZNQCLSA-N 1 0 260.293 3.429 20 5 CGBDRO CC[C@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093502057 287117139 /nfs/dbraw/zinc/11/71/39/287117139.db2.gz HNNTWYCVSLFPLH-DYLGSBMWSA-N 1 0 292.404 3.435 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000096482958 287123951 /nfs/dbraw/zinc/12/39/51/287123951.db2.gz BKPIXQYMTOFCRI-ZDUSSCGKSA-N 1 0 277.368 3.045 20 5 CGBDRO CC(C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174245932 165572294 /nfs/dbraw/zinc/57/22/94/165572294.db2.gz RJGHSBJECBMEBH-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO CC(C)[NH+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000020086729 170987849 /nfs/dbraw/zinc/98/78/49/170987849.db2.gz ZCPWHBTUPKCZGS-CQSZACIVSA-N 1 0 293.411 3.364 20 5 CGBDRO CC(C)OCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285435298 196283894 /nfs/dbraw/zinc/28/38/94/196283894.db2.gz YTVCETFCCZWUHF-GFCCVEGCSA-N 1 0 295.383 3.033 20 5 CGBDRO C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439506 196284205 /nfs/dbraw/zinc/28/42/05/196284205.db2.gz CUGAXYXOJCSLDB-YPMHNXCESA-N 1 0 298.408 3.172 20 5 CGBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000044499310 175184497 /nfs/dbraw/zinc/18/44/97/175184497.db2.gz WMFMNBACPWFIQW-VXGBXAGGSA-N 1 0 288.351 3.223 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCc1nccs1 ZINC000128170890 287305056 /nfs/dbraw/zinc/30/50/56/287305056.db2.gz KWPOYSWMBXEMFP-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO Cc1cc(NCC[N@@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000071377657 176142907 /nfs/dbraw/zinc/14/29/07/176142907.db2.gz VSATXJPBWJVAOW-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000418099881 228048643 /nfs/dbraw/zinc/04/86/43/228048643.db2.gz NVYIIGKIVCTVFD-AWEZNQCLSA-N 1 0 280.368 3.054 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000044572472 270037339 /nfs/dbraw/zinc/03/73/39/270037339.db2.gz XQEVAESOOOVAID-SNVBAGLBSA-N 1 0 285.775 3.390 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000158062951 270052591 /nfs/dbraw/zinc/05/25/91/270052591.db2.gz GDRPEVPZJVQPLZ-IUODEOHRSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@](O)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191668525 270075814 /nfs/dbraw/zinc/07/58/14/270075814.db2.gz IHSITAFRMAUUHM-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000195718806 270084998 /nfs/dbraw/zinc/08/49/98/270084998.db2.gz JCOLQQLFKQZRSZ-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1C[C@@H]1C ZINC000321703999 270093191 /nfs/dbraw/zinc/09/31/91/270093191.db2.gz UHDONKNOUXUWFZ-GDLCADMTSA-N 1 0 262.353 3.427 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000325019876 270094651 /nfs/dbraw/zinc/09/46/51/270094651.db2.gz IEGORJKDDISETN-MRXNPFEDSA-N 1 0 274.364 3.306 20 5 CGBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)CC2 ZINC000173231806 274137018 /nfs/dbraw/zinc/13/70/18/274137018.db2.gz VIZHIGHYEMCKPM-QGZVFWFLSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@H](C[C@H](C)O)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433237108 274496799 /nfs/dbraw/zinc/49/67/99/274496799.db2.gz UCAWEWWISUDUTK-ZETOZRRWSA-N 1 0 292.379 3.066 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3c(O)cccc32)c1 ZINC000191655396 275039238 /nfs/dbraw/zinc/03/92/38/275039238.db2.gz ALNHSOZQOUEGAQ-INIZCTEOSA-N 1 0 298.342 3.468 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539031 276014358 /nfs/dbraw/zinc/01/43/58/276014358.db2.gz FHGMOUUVYHQDQI-HZSPNIEDSA-N 1 0 294.399 3.157 20 5 CGBDRO CCC(CC)[N@H+](CCOC)CCc1ccc([N+](=O)[O-])cc1 ZINC000477417664 276210458 /nfs/dbraw/zinc/21/04/58/276210458.db2.gz XHUJODNAPRJEBW-UHFFFAOYSA-N 1 0 294.395 3.274 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178657557 276243296 /nfs/dbraw/zinc/24/32/96/276243296.db2.gz AJRAOWUNYZLQDG-GXTWGEPZSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000397916631 288034780 /nfs/dbraw/zinc/03/47/80/288034780.db2.gz ISHWYXXQNPGOAU-FOGDFJRCSA-N 1 0 266.366 3.139 20 5 CGBDRO COc1ccc(C[NH2+]C(C)(C)C2CCC2)cc1[N+](=O)[O-] ZINC000398101437 288038717 /nfs/dbraw/zinc/03/87/17/288038717.db2.gz SWQHMHQEPWFJAT-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000550930925 289091716 /nfs/dbraw/zinc/09/17/16/289091716.db2.gz MTCYNTQJDPRQNR-RRFJBIMHSA-N 1 0 292.354 3.396 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000132477114 290008431 /nfs/dbraw/zinc/00/84/31/290008431.db2.gz AAZPVXXDGROXMR-WDEREUQCSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423146924 290031538 /nfs/dbraw/zinc/03/15/38/290031538.db2.gz QONVDXKQFRAWPW-MZPVMMEZSA-N 1 0 297.358 3.390 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000388592204 327911232 /nfs/dbraw/zinc/91/12/32/327911232.db2.gz BCUMGSSIAMBHGW-OCCSQVGLSA-N 1 0 262.353 3.306 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1C=CCCC1 ZINC000566475233 322124991 /nfs/dbraw/zinc/12/49/91/322124991.db2.gz LJYHDEWHCHIUEJ-FZMZJTMJSA-N 1 0 258.321 3.280 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(F)(F)C1 ZINC000567824013 322178968 /nfs/dbraw/zinc/17/89/68/322178968.db2.gz FQVAEOVDDDYBRI-SECBINFHSA-N 1 0 270.279 3.352 20 5 CGBDRO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc(C)n1 ZINC000568664760 322217991 /nfs/dbraw/zinc/21/79/91/322217991.db2.gz YOWMYIGJMMGQEE-INIZCTEOSA-N 1 0 297.358 3.384 20 5 CGBDRO CCOc1cc(C[NH2+]C2(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000572094466 322319893 /nfs/dbraw/zinc/31/98/93/322319893.db2.gz YGTYGUUMKGRGQA-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000572126439 322321493 /nfs/dbraw/zinc/32/14/93/322321493.db2.gz FMIKYQJJJKALNY-HUBLWGQQSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NCCC[NH2+]C1CCCCC1 ZINC000572350296 322332900 /nfs/dbraw/zinc/33/29/00/322332900.db2.gz YPANTXKUCDXDIP-UHFFFAOYSA-N 1 0 295.358 3.458 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573107513 322370872 /nfs/dbraw/zinc/37/08/72/322370872.db2.gz WNOOMBWDHWRQOT-MRXNPFEDSA-N 1 0 297.358 3.118 20 5 CGBDRO Cc1ccoc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000574114760 322424281 /nfs/dbraw/zinc/42/42/81/322424281.db2.gz HYGJWNUKELOVSB-UHFFFAOYSA-N 1 0 299.330 3.310 20 5 CGBDRO COc1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000177514328 335373540 /nfs/dbraw/zinc/37/35/40/335373540.db2.gz JJQNOXHNAJKYKQ-ZIAGYGMSSA-N 1 0 290.363 3.225 20 5 CGBDRO Cc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1F ZINC000384675314 336128949 /nfs/dbraw/zinc/12/89/49/336128949.db2.gz RTEQSCJSPFSPBN-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CC)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000386720763 336177521 /nfs/dbraw/zinc/17/75/21/336177521.db2.gz RZEMFYMCZVABTL-DFBGVHRSSA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000424203732 534083348 /nfs/dbraw/zinc/08/33/48/534083348.db2.gz UTJLBLKAAIRMJS-UONOGXRCSA-N 1 0 260.337 3.181 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C(CF)CF ZINC000449382987 534887930 /nfs/dbraw/zinc/88/79/30/534887930.db2.gz ZNOYSRMNHDUJQS-FZMZJTMJSA-N 1 0 298.333 3.203 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1csc([N+](=O)[O-])c1 ZINC000355058030 528425202 /nfs/dbraw/zinc/42/52/02/528425202.db2.gz MARLJRLHNLAYLD-UHFFFAOYSA-N 1 0 254.355 3.278 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303757 528823302 /nfs/dbraw/zinc/82/33/02/528823302.db2.gz XKSASIWJMYJNKY-BBRMVZONSA-N 1 0 291.395 3.079 20 5 CGBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000459705242 535706985 /nfs/dbraw/zinc/70/69/85/535706985.db2.gz HSTBFWRSDZHQKO-OAHLLOKOSA-N 1 0 292.379 3.294 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CCCCCCC2)c1 ZINC000749648348 573026665 /nfs/dbraw/zinc/02/66/65/573026665.db2.gz SZHGCOHJJPSUDZ-INIZCTEOSA-N 1 0 292.379 3.331 20 5 CGBDRO C[C@H]1c2ccccc2C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000750072673 573079427 /nfs/dbraw/zinc/07/94/27/573079427.db2.gz PWBAGJLSGFHAFB-YVEFUNNKSA-N 1 0 298.342 3.205 20 5 CGBDRO C[C@@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cncs1 ZINC000934203552 618532996 /nfs/dbraw/zinc/53/29/96/618532996.db2.gz YNGBLVGIXRJPMB-MRVPVSSYSA-N 1 0 281.312 3.041 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)C2(Cl)CC2)cc1[N+](=O)[O-] ZINC000926796247 618895691 /nfs/dbraw/zinc/89/56/91/618895691.db2.gz NOZYVPGHTMOROF-SNVBAGLBSA-N 1 0 268.744 3.153 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)C2(Cl)CC2)cc1[N+](=O)[O-] ZINC000926796245 618895941 /nfs/dbraw/zinc/89/59/41/618895941.db2.gz NOZYVPGHTMOROF-JTQLQIEISA-N 1 0 268.744 3.153 20 5 CGBDRO CC1([NH+]2CCC2)CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000896255950 619979519 /nfs/dbraw/zinc/97/95/19/619979519.db2.gz BDYXGYCJXISONQ-UHFFFAOYSA-N 1 0 289.379 3.414 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]1C ZINC000840726130 620237112 /nfs/dbraw/zinc/23/71/12/620237112.db2.gz AELMZNBUZAEGNS-LNLATYFQSA-N 1 0 268.744 3.382 20 5 CGBDRO CSC1CC([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897459328 620339890 /nfs/dbraw/zinc/33/98/90/620339890.db2.gz KHKLYGLDGNEEAL-UNXYVOJBSA-N 1 0 280.393 3.182 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000897463063 620339896 /nfs/dbraw/zinc/33/98/96/620339896.db2.gz ARRXYLMUDVSFOR-VXGBXAGGSA-N 1 0 262.353 3.477 20 5 CGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925308110 620395657 /nfs/dbraw/zinc/39/56/57/620395657.db2.gz BGJVAZCUPDZLME-DZGCQCFKSA-N 1 0 280.368 3.014 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000901643186 620959982 /nfs/dbraw/zinc/95/99/82/620959982.db2.gz POLFIYURKDNLHK-STQMWFEESA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000901642682 620960131 /nfs/dbraw/zinc/96/01/31/620960131.db2.gz MHINZKKTOAZMPV-CHWSQXEVSA-N 1 0 285.347 3.444 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000042553849 621182968 /nfs/dbraw/zinc/18/29/68/621182968.db2.gz LSACJPPZFXXLGR-CMPLNLGQSA-N 1 0 250.342 3.427 20 5 CGBDRO CCO[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000902821821 621457001 /nfs/dbraw/zinc/45/70/01/621457001.db2.gz LJAUUISRUPWCBB-LSDHHAIUSA-N 1 0 292.379 3.075 20 5 CGBDRO CCCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056622 621546066 /nfs/dbraw/zinc/54/60/66/621546066.db2.gz WRHKCMHJUPVRIQ-SNVBAGLBSA-N 1 0 252.314 3.054 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CSC)cc([N+](=O)[O-])c1 ZINC000903098461 621572123 /nfs/dbraw/zinc/57/21/23/621572123.db2.gz PESVVRGPTFWIIO-UWVGGRQHSA-N 1 0 284.381 3.006 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000903120824 621588502 /nfs/dbraw/zinc/58/85/02/621588502.db2.gz OXKCBFKXFGQTMH-HZPDHXFCSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903172080 621612364 /nfs/dbraw/zinc/61/23/64/621612364.db2.gz URBWEEBVSLDSDZ-ISTVAULSSA-N 1 0 296.392 3.006 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000903260500 621647117 /nfs/dbraw/zinc/64/71/17/621647117.db2.gz VSOVLOWMWANZPA-INWMFGNUSA-N 1 0 292.379 3.187 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000903390935 621728666 /nfs/dbraw/zinc/72/86/66/621728666.db2.gz PMDLOBAIEISKDM-ZJUUUORDSA-N 1 0 298.408 3.127 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C/C=C/Cl ZINC000903443200 621754660 /nfs/dbraw/zinc/75/46/60/621754660.db2.gz DATWEBMSNYXNAB-QLCVYAKKSA-N 1 0 254.717 3.306 20 5 CGBDRO CC[C@@H](C)[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000164829370 622846704 /nfs/dbraw/zinc/84/67/04/622846704.db2.gz ZFEOZJJWJBJVRT-MRVPVSSYSA-N 1 0 287.157 3.245 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000057993556 622894505 /nfs/dbraw/zinc/89/45/05/622894505.db2.gz QUFAVQPBHARULQ-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@@H]1Cc2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2O1 ZINC000921546682 625667254 /nfs/dbraw/zinc/66/72/54/625667254.db2.gz GLQFGWMOHOCEJL-GFCCVEGCSA-N 1 0 298.342 3.208 20 5 CGBDRO Cc1nn(C[N@H+]2CCC[C@H](C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000153293854 623842834 /nfs/dbraw/zinc/84/28/34/623842834.db2.gz MQIAPCAKGLIHAJ-AWEZNQCLSA-N 1 0 294.399 3.124 20 5 CGBDRO C[NH+](C)CCSCc1cc([N+](=O)[O-])ccc1Cl ZINC000095019886 625783327 /nfs/dbraw/zinc/78/33/27/625783327.db2.gz URXSGIMRORNFOL-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO CC(C)(/C=C/Cl)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000922649012 626025399 /nfs/dbraw/zinc/02/53/99/626025399.db2.gz ASPRNDPZZTYECG-VOTSOKGWSA-N 1 0 254.717 3.216 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000922834990 626053093 /nfs/dbraw/zinc/05/30/93/626053093.db2.gz XFQLZSURLUUDSA-GXFFZTMASA-N 1 0 280.393 3.277 20 5 CGBDRO Cc1c(C[NH2+]C2([C@@H]3CCCCO3)CC2)cccc1[N+](=O)[O-] ZINC000923024255 626120578 /nfs/dbraw/zinc/12/05/78/626120578.db2.gz IJEALJOFFXHOIK-HNNXBMFYSA-N 1 0 290.363 3.095 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000758397995 626842063 /nfs/dbraw/zinc/84/20/63/626842063.db2.gz RZMBPNPQXVHEKQ-OAHLLOKOSA-N 1 0 288.351 3.024 20 5 CGBDRO CC1(C)CCC[N@H+](CCNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000767443502 627409203 /nfs/dbraw/zinc/40/92/03/627409203.db2.gz WUGWPIIUWAPEFZ-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@@H]2CCC=CO2)cc1 ZINC000775028621 628054651 /nfs/dbraw/zinc/05/46/51/628054651.db2.gz FXRIUKWVFLYWLX-INIZCTEOSA-N 1 0 290.363 3.200 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]C[C@H]2CCC=CO2)cc1 ZINC000775028622 628054854 /nfs/dbraw/zinc/05/48/54/628054854.db2.gz FXRIUKWVFLYWLX-MRXNPFEDSA-N 1 0 290.363 3.200 20 5 CGBDRO CO[C@@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000783018840 628672852 /nfs/dbraw/zinc/67/28/52/628672852.db2.gz SFAFDFNZXOLVQP-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792867208 629389152 /nfs/dbraw/zinc/38/91/52/629389152.db2.gz MKVLDXRHAHRRPW-WDEREUQCSA-N 1 0 293.323 3.123 20 5 CGBDRO CC(C)C([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000792877978 629389658 /nfs/dbraw/zinc/38/96/58/629389658.db2.gz YJUWARISBIMHSR-UHFFFAOYSA-N 1 0 295.339 3.273 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@H]1CC[NH2+]C12CCC2 ZINC000863477528 629585600 /nfs/dbraw/zinc/58/56/00/629585600.db2.gz OATACVQTFUYYQD-LBPRGKRZSA-N 1 0 299.733 3.084 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000799192481 630155116 /nfs/dbraw/zinc/15/51/16/630155116.db2.gz FOGZWEVELBJBTG-OAHLLOKOSA-N 1 0 297.358 3.288 20 5 CGBDRO CC1=C[C@@H](C)C[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000801555210 630343011 /nfs/dbraw/zinc/34/30/11/630343011.db2.gz HPUOMSCZXLLLGP-SNVBAGLBSA-N 1 0 264.300 3.132 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804393520 630525699 /nfs/dbraw/zinc/52/56/99/630525699.db2.gz KCQQFGPZLTYLLP-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809718420 630791760 /nfs/dbraw/zinc/79/17/60/630791760.db2.gz JTYHAXYTETWZJR-KWQFWETISA-N 1 0 254.717 3.136 20 5 CGBDRO C[C@@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809736015 630795205 /nfs/dbraw/zinc/79/52/05/630795205.db2.gz CJJDAOJSEKYKOA-AWEZNQCLSA-N 1 0 299.374 3.164 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552510 631794157 /nfs/dbraw/zinc/79/41/57/631794157.db2.gz DBASFBKIBXWBDJ-MJVIPROJSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555567 631794328 /nfs/dbraw/zinc/79/43/28/631794328.db2.gz CFKLNJIXRBJJBD-GHMZBOCLSA-N 1 0 289.335 3.052 20 5 CGBDRO CC(C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000879405632 635778320 /nfs/dbraw/zinc/77/83/20/635778320.db2.gz BGMPSIOVDBWKOZ-AWEZNQCLSA-N 1 0 296.342 3.171 20 5 CGBDRO COC(C)(C)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000865756157 632880604 /nfs/dbraw/zinc/88/06/04/632880604.db2.gz YGLZJWBTIQZLIR-SOFGYWHQSA-N 1 0 278.352 3.013 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)c1 ZINC000865855986 632919927 /nfs/dbraw/zinc/91/99/27/632919927.db2.gz BJQVCQKJLFSWOH-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866367681 633104350 /nfs/dbraw/zinc/10/43/50/633104350.db2.gz MXPNYUFRPMHRMT-NHYWBVRUSA-N 1 0 298.358 3.070 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866367680 633105016 /nfs/dbraw/zinc/10/50/16/633105016.db2.gz MXPNYUFRPMHRMT-IAQYHMDHSA-N 1 0 298.358 3.070 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCSC1 ZINC000866405215 633125437 /nfs/dbraw/zinc/12/54/37/633125437.db2.gz YXDFTTMIGBPOBI-FZMZJTMJSA-N 1 0 292.404 3.315 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122581409 633442055 /nfs/dbraw/zinc/44/20/55/633442055.db2.gz JGEXPVXWKBXEMI-GJZGRUSLSA-N 1 0 280.368 3.043 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC1 ZINC000872027942 633947372 /nfs/dbraw/zinc/94/73/72/633947372.db2.gz OHTQOWWZWBKTCK-WDEREUQCSA-N 1 0 296.392 3.004 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CCCO ZINC000872041821 633964386 /nfs/dbraw/zinc/96/43/86/633964386.db2.gz LBKPMFTZRBBUGE-GHMZBOCLSA-N 1 0 298.408 3.128 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872312471 634107155 /nfs/dbraw/zinc/10/71/55/634107155.db2.gz HRBBCZFMDFRRCI-KGLIPLIRSA-N 1 0 296.754 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872314095 634107668 /nfs/dbraw/zinc/10/76/68/634107668.db2.gz WSHIBPDTTDQTAS-KGLIPLIRSA-N 1 0 296.754 3.049 20 5 CGBDRO CCC1(O)CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873099955 634246226 /nfs/dbraw/zinc/24/62/26/634246226.db2.gz HOJZOELDZLOFSG-UHFFFAOYSA-N 1 0 292.379 3.077 20 5 CGBDRO Cc1c(C[NH2+]CC[C@@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873104056 634247087 /nfs/dbraw/zinc/24/70/87/634247087.db2.gz IINASRMXYSEDTR-GXTWGEPZSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@@](C)(C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC000873131805 634253037 /nfs/dbraw/zinc/25/30/37/634253037.db2.gz VZWMAKVXBFPZIM-HNNXBMFYSA-N 1 0 280.368 3.116 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000873139056 634257638 /nfs/dbraw/zinc/25/76/38/634257638.db2.gz RXFUODJVVRFWLO-JYAVWHMHSA-N 1 0 260.337 3.100 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC1(F)F ZINC000840968125 635096251 /nfs/dbraw/zinc/09/62/51/635096251.db2.gz NSRSLXUJNOVZRX-XVKPBYJWSA-N 1 0 290.697 3.382 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1=CCSC1 ZINC000877641521 635128906 /nfs/dbraw/zinc/12/89/06/635128906.db2.gz WZEVGHGUBMGGKF-UHFFFAOYSA-N 1 0 292.404 3.317 20 5 CGBDRO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000879410708 635780819 /nfs/dbraw/zinc/78/08/19/635780819.db2.gz ZSKMFCMGIGZCND-CQSZACIVSA-N 1 0 296.342 3.171 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC12CCCC2 ZINC000844358597 635879823 /nfs/dbraw/zinc/87/98/23/635879823.db2.gz JVGNOVODGCVCQB-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880466761 636006560 /nfs/dbraw/zinc/00/65/60/636006560.db2.gz RCEAAKFMNCJNGO-FZMZJTMJSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(F)Cl ZINC000846039058 636135181 /nfs/dbraw/zinc/13/51/81/636135181.db2.gz SNHOEISTNCUXGO-STQMWFEESA-N 1 0 286.734 3.389 20 5 CGBDRO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC[C@@H]1C ZINC000129727276 636358132 /nfs/dbraw/zinc/35/81/32/636358132.db2.gz LVZUVPVLASAYGZ-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CCOCC1 ZINC000107064474 636426007 /nfs/dbraw/zinc/42/60/07/636426007.db2.gz KNVNUZCZMBODBR-UHFFFAOYSA-N 1 0 298.770 3.107 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530269 636591150 /nfs/dbraw/zinc/59/11/50/636591150.db2.gz XTYJXSKGRXZGTO-MISXGVKJSA-N 1 0 292.404 3.456 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc[nH]1 ZINC000848536859 636594404 /nfs/dbraw/zinc/59/44/04/636594404.db2.gz VYUNXAUWGCBTHY-HZMBPMFUSA-N 1 0 271.320 3.261 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848546702 636599471 /nfs/dbraw/zinc/59/94/71/636599471.db2.gz CLXWAXFCPNUXNY-UHIISALHSA-N 1 0 260.337 3.360 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1C=CCC1 ZINC000883245053 636612761 /nfs/dbraw/zinc/61/27/61/636612761.db2.gz CPPZJBBKCKKBPQ-NEPJUHHUSA-N 1 0 276.336 3.220 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000848753472 636651824 /nfs/dbraw/zinc/65/18/24/636651824.db2.gz HLEPZJSEAYPFMT-JGZJWPJOSA-N 1 0 283.759 3.000 20 5 CGBDRO CCCCCCNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849022068 636718059 /nfs/dbraw/zinc/71/80/59/636718059.db2.gz WTYMBBDJYPCIGU-UHFFFAOYSA-N 1 0 292.383 3.097 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133246558 636887664 /nfs/dbraw/zinc/88/76/64/636887664.db2.gz QPUQRWTZZKZEKM-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1SCCS1 ZINC000850407177 637050537 /nfs/dbraw/zinc/05/05/37/637050537.db2.gz QOIKJGPCTSJYMW-UHFFFAOYSA-N 1 0 298.433 3.189 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)c1ccc[nH]1 ZINC000850449219 637070725 /nfs/dbraw/zinc/07/07/25/637070725.db2.gz RYYPIWPRJPBYJN-QWRGUYRKSA-N 1 0 289.335 3.343 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850551353 637117485 /nfs/dbraw/zinc/11/74/85/637117485.db2.gz HDGPVQQIDPUQNK-UFBFGSQYSA-N 1 0 299.321 3.119 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000885935080 637319488 /nfs/dbraw/zinc/31/94/88/637319488.db2.gz BALAJBDSWUPCRH-MRXNPFEDSA-N 1 0 297.358 3.197 20 5 CGBDRO C[C@@H](C[N@H+](C)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885982162 637341660 /nfs/dbraw/zinc/34/16/60/637341660.db2.gz WOMOICGKLDQVDM-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H](c1cccs1)C1CC1 ZINC000886104519 637414337 /nfs/dbraw/zinc/41/43/37/637414337.db2.gz DTDIMLFJCBODDH-CYBMUJFWSA-N 1 0 289.360 3.292 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000218989680 637489336 /nfs/dbraw/zinc/48/93/36/637489336.db2.gz BYEUSPATOBLUIY-JTQLQIEISA-N 1 0 268.744 3.384 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)cc1 ZINC000886319725 637500068 /nfs/dbraw/zinc/50/00/68/637500068.db2.gz NGGMHPVVYVZWHA-HNNXBMFYSA-N 1 0 290.363 3.034 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+]C1(C2CC2)CCC1 ZINC000887146263 637762821 /nfs/dbraw/zinc/76/28/21/637762821.db2.gz NSCQNAZQTKDGPR-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO Cc1nn(C[N@@H+]2CCCC[C@@H]2CC2CCC2)cc1[N+](=O)[O-] ZINC000853607497 637872836 /nfs/dbraw/zinc/87/28/36/637872836.db2.gz OIJQIGLDOCQTAD-CQSZACIVSA-N 1 0 292.383 3.102 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1CCCO ZINC000925312179 638495362 /nfs/dbraw/zinc/49/53/62/638495362.db2.gz YENRFNUHIVOOBM-DZGCQCFKSA-N 1 0 292.379 3.016 20 5 CGBDRO Cc1ccc(CN[C@H](c2ccccc2)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000925735115 638590183 /nfs/dbraw/zinc/59/01/83/638590183.db2.gz SYDQACCZDRJWGZ-GUYCJALGSA-N 1 0 299.374 3.081 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000927017410 638832396 /nfs/dbraw/zinc/83/23/96/638832396.db2.gz KZOFMJBUTICEKX-ZFWWWQNUSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176479 639288255 /nfs/dbraw/zinc/28/82/55/639288255.db2.gz FYZTVZCVGQXCEA-RLCCDNCMSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCO[C@@H](C)CC1 ZINC000932346193 639316458 /nfs/dbraw/zinc/31/64/58/639316458.db2.gz HEWCUZGDGRVOKK-STQMWFEESA-N 1 0 278.352 3.075 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1C[C@H](C2CC2)C[C@@H]1C1CC1 ZINC000932886850 639393194 /nfs/dbraw/zinc/39/31/94/639393194.db2.gz HNTFTEWNDBSECN-HUUCEWRRSA-N 1 0 287.363 3.000 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246238637 640667075 /nfs/dbraw/zinc/66/70/75/640667075.db2.gz HNQGGGPHLJPJNF-CVEARBPZSA-N 1 0 292.379 3.140 20 5 CGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3ccccc3[N+](=O)[O-])nc2c1 ZINC001250745368 805769207 /nfs/dbraw/zinc/76/92/07/805769207.db2.gz ORVZWAFPUJAIKA-UHFFFAOYSA-N 1 0 296.330 3.200 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2cccc3c2C[NH2+]C3)c1 ZINC001159767997 806169224 /nfs/dbraw/zinc/16/92/24/806169224.db2.gz YPPOWRXGBCCVGD-UHFFFAOYSA-N 1 0 273.267 3.081 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccncc2)CC1 ZINC001254538047 806446793 /nfs/dbraw/zinc/44/67/93/806446793.db2.gz NLVNVQKRNQTGIU-CYBMUJFWSA-N 1 0 297.358 3.200 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001254570936 806453352 /nfs/dbraw/zinc/45/33/52/806453352.db2.gz QRNOSCAHNCDUAW-UMVBOHGHSA-N 1 0 292.379 3.025 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254573949 806454382 /nfs/dbraw/zinc/45/43/82/806454382.db2.gz DWNMUCASGZOTBW-IUODEOHRSA-N 1 0 297.358 3.116 20 5 CGBDRO CCCC1([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC001254587785 806455626 /nfs/dbraw/zinc/45/56/26/806455626.db2.gz ZINSMRIBUSOUQF-CQSZACIVSA-N 1 0 274.364 3.374 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](CO)CC(C)C ZINC001162370314 806568214 /nfs/dbraw/zinc/56/82/14/806568214.db2.gz BOLQCVQEFGIHAV-MRXNPFEDSA-N 1 0 279.448 3.102 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036785317 798851159 /nfs/dbraw/zinc/85/11/59/798851159.db2.gz LUDZIMRBXOTAMR-SECBINFHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036993399 798854199 /nfs/dbraw/zinc/85/41/99/798854199.db2.gz FOGHDKFFVYTODI-VXGBXAGGSA-N 1 0 274.320 3.470 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000037082225 798857390 /nfs/dbraw/zinc/85/73/90/798857390.db2.gz PRHLRUWICUILAH-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO CCN(CCC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1 ZINC001163075909 806700222 /nfs/dbraw/zinc/70/02/22/806700222.db2.gz DZDXCANNSOIWTD-UHFFFAOYSA-N 1 0 279.384 3.153 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC001163248420 806732924 /nfs/dbraw/zinc/73/29/24/806732924.db2.gz LEZGGHWFSXHPOI-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO CC1CC(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000691910021 799790442 /nfs/dbraw/zinc/79/04/42/799790442.db2.gz ACQDGYQNKRBGCN-UHFFFAOYSA-N 1 0 268.744 3.384 20 5 CGBDRO CSC1CC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000706775063 799965525 /nfs/dbraw/zinc/96/55/25/799965525.db2.gz JHUDCVIFHKRGCC-CBZQXFMTSA-N 1 0 266.366 3.139 20 5 CGBDRO COC(C)(C)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000711894943 800079357 /nfs/dbraw/zinc/07/93/57/800079357.db2.gz SFZYUPXRXKHUAG-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000720271502 800256485 /nfs/dbraw/zinc/25/64/85/800256485.db2.gz FBTQTBMHYFXRMA-VIFPVBQESA-N 1 0 286.759 3.151 20 5 CGBDRO CC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC(F)(F)C1 ZINC000720902273 800270985 /nfs/dbraw/zinc/27/09/85/800270985.db2.gz VODYQVQGPAQZOS-UHFFFAOYSA-N 1 0 270.279 3.120 20 5 CGBDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000721194057 800280160 /nfs/dbraw/zinc/28/01/60/800280160.db2.gz NGRWDTNUORDQQH-HIFRSBDPSA-N 1 0 278.352 3.032 20 5 CGBDRO CCC[C@@H](Cc1ccccc1)[N@H+](CCC)CC[N+](=O)[O-] ZINC001167306554 807180132 /nfs/dbraw/zinc/18/01/32/807180132.db2.gz GYMQPVZJIPYRMD-INIZCTEOSA-N 1 0 278.396 3.387 20 5 CGBDRO C[C@H](Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2)C(C)(C)C ZINC001168684893 807477681 /nfs/dbraw/zinc/47/76/81/807477681.db2.gz NAQZOJLWCQKDNR-VIFPVBQESA-N 1 0 263.341 3.045 20 5 CGBDRO CC[C@H](C)C[C@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168692083 807482508 /nfs/dbraw/zinc/48/25/08/807482508.db2.gz XEFHKYSYJADJFE-QWRGUYRKSA-N 1 0 277.368 3.435 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC001168741705 807501676 /nfs/dbraw/zinc/50/16/76/807501676.db2.gz OVXUBZIPWUBTQU-UHFFFAOYSA-N 1 0 260.337 3.278 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168965569 807542869 /nfs/dbraw/zinc/54/28/69/807542869.db2.gz ARSFOMXZDPRZRQ-DFBGVHRSSA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC001168967447 807544112 /nfs/dbraw/zinc/54/41/12/807544112.db2.gz PQTKZQQDXKBBNL-GXSJLCMTSA-N 1 0 286.734 3.014 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168988595 807547808 /nfs/dbraw/zinc/54/78/08/807547808.db2.gz SSORLSJQWCDFDJ-JSGCOSHPSA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCCc2ccccc2)C1 ZINC001168988310 807547991 /nfs/dbraw/zinc/54/79/91/807547991.db2.gz QTMKHAVHOMEQDF-CVEARBPZSA-N 1 0 276.380 3.044 20 5 CGBDRO CCOc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001053 807549499 /nfs/dbraw/zinc/54/94/99/807549499.db2.gz CNZZCZOXIYNMNV-MJBXVCDLSA-N 1 0 292.379 3.181 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169006338 807550356 /nfs/dbraw/zinc/55/03/56/807550356.db2.gz XOTUGKLKNYBWDQ-NZVBXONLSA-N 1 0 298.333 3.451 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001169004059 807550810 /nfs/dbraw/zinc/55/08/10/807550810.db2.gz PKJJLGXVHWHRRL-WDMOLILDSA-N 1 0 298.333 3.451 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169029575 807555477 /nfs/dbraw/zinc/55/54/77/807555477.db2.gz UJMBSZGOSGSCQA-PVAVHDDUSA-N 1 0 288.391 3.311 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCCCCCCC2)C1 ZINC001169047901 807558522 /nfs/dbraw/zinc/55/85/22/807558522.db2.gz SKSBMLOGVMMALY-KBPBESRZSA-N 1 0 254.374 3.088 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC3(C2)CCCCC3)C1 ZINC001169050635 807560564 /nfs/dbraw/zinc/56/05/64/807560564.db2.gz CBXIBNDHAJOVBP-UONOGXRCSA-N 1 0 266.385 3.088 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NCC[C@H]1CCC[NH2+]1 ZINC001169564558 807666873 /nfs/dbraw/zinc/66/68/73/807666873.db2.gz QSUWNXFIHBLPRL-CYBMUJFWSA-N 1 0 277.368 3.074 20 5 CGBDRO COc1cc(NC(C)(C)CC[NH+](C)C)cc([N+](=O)[O-])c1C ZINC001169718676 807697522 /nfs/dbraw/zinc/69/75/22/807697522.db2.gz QXCLGSJUGWBYFC-UHFFFAOYSA-N 1 0 295.383 3.054 20 5 CGBDRO CC(C)(C)c1ccc(-n2ccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001169726294 807698939 /nfs/dbraw/zinc/69/89/39/807698939.db2.gz QRLZRABGDGKHMX-UHFFFAOYSA-N 1 0 273.336 3.142 20 5 CGBDRO C[NH+]1CC(CNc2nc3ccccc3c3ccccc32)C1 ZINC001170258844 807807988 /nfs/dbraw/zinc/80/79/88/807807988.db2.gz PTFJHDNCQLZBBU-UHFFFAOYSA-N 1 0 277.371 3.362 20 5 CGBDRO CC[C@H](C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899043 808475758 /nfs/dbraw/zinc/47/57/58/808475758.db2.gz SELSFPUGPXOTCL-WFASDCNBSA-N 1 0 276.380 3.478 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@H]3C[C@H]31)CC2 ZINC001172919312 808480105 /nfs/dbraw/zinc/48/01/05/808480105.db2.gz FRLSCYIBMNRCOT-ZMSDIMECSA-N 1 0 286.375 3.327 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CCC[C@@H]2C)c1F ZINC001173187135 808534005 /nfs/dbraw/zinc/53/40/05/808534005.db2.gz XTRGFSDMCIKJHG-QWRGUYRKSA-N 1 0 296.342 3.158 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC001173209154 808537149 /nfs/dbraw/zinc/53/71/49/808537149.db2.gz AEZGQGHDTVGBOE-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC001173210400 808537916 /nfs/dbraw/zinc/53/79/16/808537916.db2.gz KILNSTUOIDHDEL-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1ccnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173216833 808538807 /nfs/dbraw/zinc/53/88/07/808538807.db2.gz NEYWSMCAPCIVBH-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cscn1 ZINC001173213826 808538888 /nfs/dbraw/zinc/53/88/88/808538888.db2.gz KZQGENSSTGEDAE-MNOVXSKESA-N 1 0 291.376 3.333 20 5 CGBDRO CC(C)CC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213733 808539098 /nfs/dbraw/zinc/53/90/98/808539098.db2.gz HMEYZPGKKQVZQV-GFCCVEGCSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccoc1 ZINC001173218817 808539934 /nfs/dbraw/zinc/53/99/34/808539934.db2.gz MHXLXQRFBIQVCP-RYUDHWBXSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccncc1 ZINC001173227274 808541072 /nfs/dbraw/zinc/54/10/72/808541072.db2.gz PDVXBIRVNPDBLI-AWEZNQCLSA-N 1 0 299.374 3.095 20 5 CGBDRO CCCO[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173225730 808541889 /nfs/dbraw/zinc/54/18/89/808541889.db2.gz FRGUDFBKVIFGPH-BBRMVZONSA-N 1 0 292.379 3.027 20 5 CGBDRO c1cnc2c(c1)cc(Nc1cc[nH+]cc1)c1cccnc12 ZINC001173884574 808739347 /nfs/dbraw/zinc/73/93/47/808739347.db2.gz KZKFVSBDHOHVHP-UHFFFAOYSA-N 1 0 272.311 3.344 20 5 CGBDRO COc1ccc(Nc2cc(OC)c(C)c[nH+]2)cc1[N+](=O)[O-] ZINC001176363759 809677716 /nfs/dbraw/zinc/67/77/16/809677716.db2.gz QLSVYDIGYXGQTA-UHFFFAOYSA-N 1 0 289.291 3.059 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnccc1C ZINC001178775001 809887715 /nfs/dbraw/zinc/88/77/15/809887715.db2.gz OUSOFAHDWOGLKX-JYRVWZFOSA-N 1 0 297.358 3.491 20 5 CGBDRO [NH3+][C@H]1CN(Cc2c3ccccc3cc3ccccc32)C[C@H]1F ZINC001204830372 812748371 /nfs/dbraw/zinc/74/83/71/812748371.db2.gz RZGVEDNGQOAFBF-MOPGFXCFSA-N 1 0 294.373 3.474 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2CCC[NH2+]C2)cc1 ZINC001217964693 816020829 /nfs/dbraw/zinc/02/08/29/816020829.db2.gz BWGGRUOZMMNAOB-OAHLLOKOSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001217983374 816032806 /nfs/dbraw/zinc/03/28/06/816032806.db2.gz BKCCZAPTEGXBRP-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001218023469 816058937 /nfs/dbraw/zinc/05/89/37/816058937.db2.gz IKXIOSFQKFUZCR-RNCFNFMXSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001218034184 816066766 /nfs/dbraw/zinc/06/67/66/816066766.db2.gz MKYQAJUGOWYRFT-SJKOYZFVSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218048600 816073833 /nfs/dbraw/zinc/07/38/33/816073833.db2.gz DNBPYPFXKNZHES-WCQYABFASA-N 1 0 292.379 3.412 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+][C@@H](C)C1 ZINC001218056823 816079131 /nfs/dbraw/zinc/07/91/31/816079131.db2.gz PKTYTMYEZXRCQE-UWVGGRQHSA-N 1 0 284.743 3.076 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218079664 816088389 /nfs/dbraw/zinc/08/83/89/816088389.db2.gz HSTZTEXTRCNTNK-ZDUSSCGKSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)cc(C)c1[N+](=O)[O-] ZINC001218090930 816091904 /nfs/dbraw/zinc/09/19/04/816091904.db2.gz JDLLBJPCFLEQFG-ZBFHGGJFSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218096124 816096376 /nfs/dbraw/zinc/09/63/76/816096376.db2.gz SSXCPTRCAGTKQG-KBPBESRZSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218097155 816097488 /nfs/dbraw/zinc/09/74/88/816097488.db2.gz TUFKSVKNLXIPEM-JKSUJKDBSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218382444 816183753 /nfs/dbraw/zinc/18/37/53/816183753.db2.gz BRIPGTYBZOKNBR-ABAIWWIYSA-N 1 0 264.328 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[C@H]2C[NH2+]C[C@H]21 ZINC001218475094 816232476 /nfs/dbraw/zinc/23/24/76/816232476.db2.gz XYEFQHVKCYZCLH-JGGQBBKZSA-N 1 0 298.342 3.125 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c([N+](=O)[O-])c1 ZINC001218476177 816232996 /nfs/dbraw/zinc/23/29/96/816232996.db2.gz VCBIFXIPHHTFGP-YWPYICTPSA-N 1 0 290.363 3.164 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428069 816628574 /nfs/dbraw/zinc/62/85/74/816628574.db2.gz BTRAWLXUFXXMHE-SWLSCSKDSA-N 1 0 278.352 3.155 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)O[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223428338 816628842 /nfs/dbraw/zinc/62/88/42/816628842.db2.gz FKNRIRXSXIOQQG-CHWSQXEVSA-N 1 0 280.368 3.403 20 5 CGBDRO CCOc1ccc([C@@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224624785 816836381 /nfs/dbraw/zinc/83/63/81/816836381.db2.gz YZVWGAGCDMOWLZ-CQSZACIVSA-N 1 0 266.405 3.259 20 5 CGBDRO C[N+](C)(C)CCO[C@H](C(=O)c1ccccc1)c1ccccc1 ZINC001224771537 816878523 /nfs/dbraw/zinc/87/85/23/816878523.db2.gz NVANNNYGQKZTOI-IBGZPJMESA-N 1 0 298.406 3.333 20 5 CGBDRO CCc1cc(O[C@H](C)C[N+](C)(C)C)ccc1Cl ZINC001225316444 817008311 /nfs/dbraw/zinc/00/83/11/817008311.db2.gz FMFWRPFTAHWLCU-LLVKDONJSA-N 1 0 256.797 3.376 20 5 CGBDRO Cc1c(O[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689063 817141867 /nfs/dbraw/zinc/14/18/67/817141867.db2.gz AMJDEXJGHHNGKQ-CYBMUJFWSA-N 1 0 278.352 3.155 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225787900 817178553 /nfs/dbraw/zinc/17/85/53/817178553.db2.gz IUAQRSHHIGXKJX-JTQLQIEISA-N 1 0 284.743 3.110 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc(C(F)(F)F)c1 ZINC001225914192 817214224 /nfs/dbraw/zinc/21/42/24/817214224.db2.gz QARHEHHVCVWHRK-VIFPVBQESA-N 1 0 280.285 3.318 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001226445219 817358683 /nfs/dbraw/zinc/35/86/83/817358683.db2.gz BTHRKZOVSVUPLM-GFCCVEGCSA-N 1 0 295.403 3.366 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001226509559 817379504 /nfs/dbraw/zinc/37/95/04/817379504.db2.gz SWOIQTBZYAWUSS-LLVKDONJSA-N 1 0 274.320 3.077 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1ccno1 ZINC001226535468 817390790 /nfs/dbraw/zinc/39/07/90/817390790.db2.gz QPTUAEVGYVRWAQ-LLVKDONJSA-N 1 0 295.790 3.469 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1C[NH+]2CCC1CC2 ZINC001227214822 817594788 /nfs/dbraw/zinc/59/47/88/817594788.db2.gz RITBWGUEFZZBRR-INIZCTEOSA-N 1 0 298.342 3.221 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cc(O)ccc2c1 ZINC001228273289 817858450 /nfs/dbraw/zinc/85/84/50/817858450.db2.gz UTSZRKJCJUPVGN-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc(O)ccc2c1 ZINC001228273288 817858558 /nfs/dbraw/zinc/85/85/58/817858558.db2.gz UTSZRKJCJUPVGN-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO C[NH+]1CCC(Oc2cccc3nc4ccccc4nc32)CC1 ZINC001228523135 817927346 /nfs/dbraw/zinc/92/73/46/817927346.db2.gz RQXLIEKLGNHWLT-UHFFFAOYSA-N 1 0 293.370 3.256 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccsc2c1 ZINC001233602798 818656332 /nfs/dbraw/zinc/65/63/32/818656332.db2.gz BRZQLVFNNBKMDC-LLVKDONJSA-N 1 0 250.387 3.375 20 5 CGBDRO Cc1cc(F)c(OC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001234060481 818770368 /nfs/dbraw/zinc/77/03/68/818770368.db2.gz PZBZIFOMKYPHDT-UHFFFAOYSA-N 1 0 296.342 3.294 20 5 CGBDRO COc1cc2ccccc2cc1O[C@@H](C)C[N+](C)(C)C ZINC001234897540 818948628 /nfs/dbraw/zinc/94/86/28/818948628.db2.gz TXFQGQMIOSHSIQ-ZDUSSCGKSA-N 1 0 274.384 3.322 20 5 CGBDRO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC001350086708 936977326 /nfs/dbraw/zinc/97/73/26/936977326.db2.gz UXIBMCNQBJFQID-UHFFFAOYSA-N 1 0 277.368 3.438 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C)CCC1 ZINC001560363503 937212645 /nfs/dbraw/zinc/21/26/45/937212645.db2.gz YLHOFXBZGBVRNY-UHFFFAOYSA-N 1 0 262.353 3.491 20 5 CGBDRO CC(C)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001459845581 937503288 /nfs/dbraw/zinc/50/32/88/937503288.db2.gz RNDVKKVUWMWZQI-CYBMUJFWSA-N 1 0 270.760 3.294 20 5 CGBDRO CC(C)(C)N1CC(Oc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001229377639 932142515 /nfs/dbraw/zinc/14/25/15/932142515.db2.gz PKSCTBMPVBZLCS-UHFFFAOYSA-N 1 0 284.743 3.110 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)C1 ZINC001229469315 932155922 /nfs/dbraw/zinc/15/59/22/932155922.db2.gz GWXVYKAETNMCMM-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CC(Nc3ccccc3)C2)c1 ZINC001461733087 937594732 /nfs/dbraw/zinc/59/47/32/937594732.db2.gz XVDKTKWMPHLNJH-UHFFFAOYSA-N 1 0 297.358 3.328 20 5 CGBDRO Cc1ccc(C[NH2+]CC(C)(C)C2CC2)cc1[N+](=O)[O-] ZINC001461782419 937597139 /nfs/dbraw/zinc/59/71/39/937597139.db2.gz KMQQFWKDOUQTIA-UHFFFAOYSA-N 1 0 262.353 3.429 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC001307622519 932977533 /nfs/dbraw/zinc/97/75/33/932977533.db2.gz QFSXTPOJUHVFMP-QGZVFWFLSA-N 1 0 284.359 3.227 20 5 CGBDRO C[C@@](Cc1ccccc1)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001307844332 933008818 /nfs/dbraw/zinc/00/88/18/933008818.db2.gz KKKKDVKSGOWFPV-KRWDZBQOSA-N 1 0 284.359 3.011 20 5 CGBDRO Cc1ccnc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC001462547843 937649408 /nfs/dbraw/zinc/64/94/08/937649408.db2.gz PBHONWFXMJDCID-AWEZNQCLSA-N 1 0 299.374 3.409 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C(C)(C)C)CC1 ZINC001318853890 933787165 /nfs/dbraw/zinc/78/71/65/933787165.db2.gz QBMZYZNGSJQIPH-CYBMUJFWSA-N 1 0 291.395 3.072 20 5 CGBDRO CC[N@H+](CCNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC001472681811 937780329 /nfs/dbraw/zinc/78/03/29/937780329.db2.gz QOYKILADWNCKQA-UHFFFAOYSA-N 1 0 285.775 3.390 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC001328103585 935117165 /nfs/dbraw/zinc/11/71/65/935117165.db2.gz OTIBCKQZJLMLSK-CBZQXFMTSA-N 1 0 282.290 3.433 20 5 CGBDRO Cc1ccc(C[NH2+]CCCC(F)F)cc1[N+](=O)[O-] ZINC001335164549 936132491 /nfs/dbraw/zinc/13/24/91/936132491.db2.gz HJJNWNSFBYLKQB-UHFFFAOYSA-N 1 0 258.268 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3scnc3c2)cc1 ZINC001473948096 937831679 /nfs/dbraw/zinc/83/16/79/937831679.db2.gz KCSYSAHGKSYIBO-UHFFFAOYSA-N 1 0 299.355 3.494 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@H]2C=CCC2)cc1 ZINC001474693504 937875185 /nfs/dbraw/zinc/87/51/85/937875185.db2.gz NGUICIRFJFHCON-AWEZNQCLSA-N 1 0 274.364 3.473 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCC1CCCCC1 ZINC001559513932 938228354 /nfs/dbraw/zinc/22/83/54/938228354.db2.gz LRROWNCVZXRNLQ-UHFFFAOYSA-N 1 0 294.399 3.002 20 5 CGBDRO C[C@@H]([NH3+])c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC001576169585 962437075 /nfs/dbraw/zinc/43/70/75/962437075.db2.gz RIRQBRNTFFKYDI-LLVKDONJSA-N 1 0 271.320 3.227 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127775960 187332546 /nfs/dbraw/zinc/33/25/46/187332546.db2.gz XDCQVJZZSJZSCF-CYBMUJFWSA-N 1 0 285.347 3.491 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000290281850 197656537 /nfs/dbraw/zinc/65/65/37/197656537.db2.gz XGXVZIDLZOMRBB-DOMZBBRYSA-N 1 0 292.379 3.105 20 5 CGBDRO CC1(F)CC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000590778804 346875063 /nfs/dbraw/zinc/87/50/63/346875063.db2.gz KFFRPGDYTZJXJC-WPBUFGDCSA-N 1 0 278.327 3.452 20 5 CGBDRO Cc1ccc(CN(C)[C@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000590754404 346871589 /nfs/dbraw/zinc/87/15/89/346871589.db2.gz FOQRBFHXOZRYOJ-CYBMUJFWSA-N 1 0 285.347 3.491 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@H]1C ZINC000414093195 529607882 /nfs/dbraw/zinc/60/78/82/529607882.db2.gz FTPGKAAJWJWAKM-UGFHNGPFSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000295045703 199318316 /nfs/dbraw/zinc/31/83/16/199318316.db2.gz PVYPIZFNOLFKDZ-HUUCEWRRSA-N 1 0 292.379 3.111 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273172638 192065099 /nfs/dbraw/zinc/06/50/99/192065099.db2.gz CELLUOZHRQQHRB-HZSPNIEDSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[N@H+](CCSC)Cc1cccc([N+](=O)[O-])c1C ZINC000592201726 346972221 /nfs/dbraw/zinc/97/22/21/346972221.db2.gz FURILTKMNZHITP-UHFFFAOYSA-N 1 0 268.382 3.088 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)CC(F)F ZINC000592373022 346979503 /nfs/dbraw/zinc/97/95/03/346979503.db2.gz PGMMMDHNYSMCEH-MRVPVSSYSA-N 1 0 276.258 3.115 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000592375641 346980112 /nfs/dbraw/zinc/98/01/12/346980112.db2.gz XYRCYKRAOSRMLS-PHIMTYICSA-N 1 0 284.381 3.092 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000592378741 346980835 /nfs/dbraw/zinc/98/08/35/346980835.db2.gz AHZSINLINHHKTH-OWQIOCHFSA-N 1 0 278.377 3.092 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000592397457 346983917 /nfs/dbraw/zinc/98/39/17/346983917.db2.gz LIUCJZWTJBSASM-IACUBPJLSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593118752 347042177 /nfs/dbraw/zinc/04/21/77/347042177.db2.gz YHURJBYHBRFGJJ-MFKMUULPSA-N 1 0 282.290 3.387 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000037404431 344950161 /nfs/dbraw/zinc/95/01/61/344950161.db2.gz DMFMNMFPCYMYQJ-SNVBAGLBSA-N 1 0 295.770 3.144 20 5 CGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000044411744 345010229 /nfs/dbraw/zinc/01/02/29/345010229.db2.gz VQEJAKWAEPCCPT-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000065208951 345269689 /nfs/dbraw/zinc/26/96/89/345269689.db2.gz BMXXOMWFELICHO-UHFFFAOYSA-N 1 0 292.360 3.167 20 5 CGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000067661083 345327607 /nfs/dbraw/zinc/32/76/07/345327607.db2.gz OJQDZHYYHTTXMX-GFCCVEGCSA-N 1 0 250.342 3.461 20 5 CGBDRO CC(C)[NH2+]C1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000072606004 345414291 /nfs/dbraw/zinc/41/42/91/345414291.db2.gz ADNIDUHHIBVJTL-CYBMUJFWSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ncc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000090418218 345787352 /nfs/dbraw/zinc/78/73/52/345787352.db2.gz PBGRDOJQRHLDFG-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000090590108 345791573 /nfs/dbraw/zinc/79/15/73/345791573.db2.gz HZDVXENUFQTWSJ-DGCLKSJQSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000092658506 345850158 /nfs/dbraw/zinc/85/01/58/345850158.db2.gz GFEKKJZRGJSYGT-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cc1[N+](=O)[O-] ZINC000121386400 346002359 /nfs/dbraw/zinc/00/23/59/346002359.db2.gz ZLAUUVRXPCOALK-NFAWXSAZSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@H](C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000125494090 346017771 /nfs/dbraw/zinc/01/77/71/346017771.db2.gz TXFWGAWLUAFIIW-GFCCVEGCSA-N 1 0 264.369 3.409 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CCSC)cc1[N+](=O)[O-] ZINC000152576772 346142624 /nfs/dbraw/zinc/14/26/24/346142624.db2.gz SPJWZGRMLNTVLQ-JTQLQIEISA-N 1 0 284.381 3.007 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403571854 346597127 /nfs/dbraw/zinc/59/71/27/346597127.db2.gz XRLMFKVSQXYKHM-MBNYWOFBSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c1 ZINC000403575229 346597157 /nfs/dbraw/zinc/59/71/57/346597157.db2.gz YPNYZWCSQJGAPB-HZSPNIEDSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000588977583 346779525 /nfs/dbraw/zinc/77/95/25/346779525.db2.gz CLXJIJICYIZXCX-AWEZNQCLSA-N 1 0 290.363 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](C3CC3)C2)cc1 ZINC000588978116 346779929 /nfs/dbraw/zinc/77/99/29/346779929.db2.gz SBKRGQAXIXKRNB-HNNXBMFYSA-N 1 0 274.364 3.259 20 5 CGBDRO O=[N+]([O-])c1cc(CN2CCC[C@H](OC3CCC3)C2)cs1 ZINC000594026318 347139617 /nfs/dbraw/zinc/13/96/17/347139617.db2.gz IYSXJLCBCHEXST-ZDUSSCGKSA-N 1 0 296.392 3.190 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000594597018 347198369 /nfs/dbraw/zinc/19/83/69/347198369.db2.gz CBMXXBIYZWXLHX-CABCVRRESA-N 1 0 275.352 3.024 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)s1 ZINC000594604079 347201099 /nfs/dbraw/zinc/20/10/99/347201099.db2.gz YAOWESYNNZXEAH-MNOVXSKESA-N 1 0 281.381 3.085 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594514900 347185973 /nfs/dbraw/zinc/18/59/73/347185973.db2.gz BPZLYLZYCLYFHA-BXUZGUMPSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000594516259 347186603 /nfs/dbraw/zinc/18/66/03/347186603.db2.gz VFIZGXASMMNZGQ-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO CC1(C)C[C@@]1(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594995227 347251373 /nfs/dbraw/zinc/25/13/73/347251373.db2.gz HBRHBDAXHFKHLG-DDJMYBDESA-N 1 0 260.337 3.386 20 5 CGBDRO CC[C@H](C)CC[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000594966317 347244826 /nfs/dbraw/zinc/24/48/26/347244826.db2.gz GBRXZDCXFCCLPC-NSHDSACASA-N 1 0 296.367 3.138 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000594975166 347246237 /nfs/dbraw/zinc/24/62/37/347246237.db2.gz RSXOTWKMGRBXEJ-KCQAQPDRSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccc(O)cc32)cc1 ZINC000594980331 347247895 /nfs/dbraw/zinc/24/78/95/347247895.db2.gz POTPWZHHJHVUMK-INIZCTEOSA-N 1 0 284.315 3.078 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289056 347286414 /nfs/dbraw/zinc/28/64/14/347286414.db2.gz CXYKQPIRVPDFNN-JTQLQIEISA-N 1 0 278.327 3.497 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CCCC1 ZINC000595006566 347254507 /nfs/dbraw/zinc/25/45/07/347254507.db2.gz KTEIVQGEVHPCFC-SNVBAGLBSA-N 1 0 264.325 3.197 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1CCC1 ZINC000595009592 347255738 /nfs/dbraw/zinc/25/57/38/347255738.db2.gz UCTYBPWCFMNIIQ-SNVBAGLBSA-N 1 0 264.325 3.054 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595011409 347256458 /nfs/dbraw/zinc/25/64/58/347256458.db2.gz DQSJBPLAEVKGFH-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO CCOC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595014519 347257386 /nfs/dbraw/zinc/25/73/86/347257386.db2.gz WKFWTZAREXWGTF-UHFFFAOYSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1(C)CC1 ZINC000595027590 347261742 /nfs/dbraw/zinc/26/17/42/347261742.db2.gz QJXCUFDFQSBJNW-SNVBAGLBSA-N 1 0 264.325 3.054 20 5 CGBDRO CCSCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595040799 347266190 /nfs/dbraw/zinc/26/61/90/347266190.db2.gz XVZAWYNWBRICAI-LLVKDONJSA-N 1 0 298.408 3.397 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)CSCCF)cccc1[N+](=O)[O-] ZINC000595043442 347267318 /nfs/dbraw/zinc/26/73/18/347267318.db2.gz YGDWBKXIGSCYIH-SNVBAGLBSA-N 1 0 286.372 3.084 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595066480 347275938 /nfs/dbraw/zinc/27/59/38/347275938.db2.gz HRFHTQYWZGRPPX-WFASDCNBSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1(F)F ZINC000595081326 347279620 /nfs/dbraw/zinc/27/96/20/347279620.db2.gz RCOULEDODUSELA-WCQYABFASA-N 1 0 282.290 3.217 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCc1ccco1 ZINC000595093509 347281718 /nfs/dbraw/zinc/28/17/18/347281718.db2.gz KOXRYTJRPICRDF-HNNXBMFYSA-N 1 0 286.331 3.398 20 5 CGBDRO CC1(C)C[C@]1(C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595098653 347283559 /nfs/dbraw/zinc/28/35/59/347283559.db2.gz DKECEYXWPQMVEQ-DOMZBBRYSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])CCS1 ZINC000595454947 347305879 /nfs/dbraw/zinc/30/58/79/347305879.db2.gz PBCPXAGYDLMHBM-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCSC1 ZINC000595887180 347370060 /nfs/dbraw/zinc/37/00/60/347370060.db2.gz BJANPONOWSKRAU-NSHDSACASA-N 1 0 278.377 3.261 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC1=CCSC1 ZINC000597244019 347562284 /nfs/dbraw/zinc/56/22/84/347562284.db2.gz KIOHZTCXABMDAO-GQCTYLIASA-N 1 0 290.388 3.213 20 5 CGBDRO C[C@@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975220 347703035 /nfs/dbraw/zinc/70/30/35/347703035.db2.gz UEKDYXXCMBWZKU-OLZOCXBDSA-N 1 0 291.395 3.118 20 5 CGBDRO COc1ccc(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000599006435 347706245 /nfs/dbraw/zinc/70/62/45/347706245.db2.gz XADUNXIMQRWYCQ-YWVIFJGQSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056622 347712281 /nfs/dbraw/zinc/71/22/81/347712281.db2.gz KUCFKSDCJJHTDI-QWHCGFSZSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CC=CC1 ZINC000599063349 347712751 /nfs/dbraw/zinc/71/27/51/347712751.db2.gz BMJPYSKTPIGYRF-ZDUSSCGKSA-N 1 0 274.364 3.472 20 5 CGBDRO CCC(CC)[NH2+]CCNc1cc(C)sc1[N+](=O)[O-] ZINC000599097661 347716708 /nfs/dbraw/zinc/71/67/08/347716708.db2.gz KPNSLTQMJYFFQR-UHFFFAOYSA-N 1 0 271.386 3.155 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH+](C1CC1)C1CC1 ZINC000599600651 347757357 /nfs/dbraw/zinc/75/73/57/347757357.db2.gz VXBSXGHPGJDSNA-UHFFFAOYSA-N 1 0 266.728 3.375 20 5 CGBDRO CCC[C@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000601139374 347874034 /nfs/dbraw/zinc/87/40/34/347874034.db2.gz CACMVNUMUIDWBT-NRMKIYEFSA-N 1 0 292.379 3.139 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000601149759 347875658 /nfs/dbraw/zinc/87/56/58/347875658.db2.gz RNBJRLAPZFWBLH-NXMDYDHSSA-N 1 0 290.363 3.154 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000601156736 347875987 /nfs/dbraw/zinc/87/59/87/347875987.db2.gz YJTKNJQPQWRGFU-JKSUJKDBSA-N 1 0 290.363 3.032 20 5 CGBDRO CC1(CC[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602642224 347999659 /nfs/dbraw/zinc/99/96/59/347999659.db2.gz AVDYCFYVCLWDDK-UHFFFAOYSA-N 1 0 275.308 3.016 20 5 CGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC(C)(C)C1 ZINC000602687370 348008925 /nfs/dbraw/zinc/00/89/25/348008925.db2.gz KYAQBKFJRQDNAG-UHFFFAOYSA-N 1 0 289.335 3.356 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]1CC(C)(C)C ZINC000602767869 348025121 /nfs/dbraw/zinc/02/51/21/348025121.db2.gz ZACJYOHBPGCHTO-CYBMUJFWSA-N 1 0 294.399 3.000 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](CC(C)C)C1CCCC1 ZINC000602764071 348025263 /nfs/dbraw/zinc/02/52/63/348025263.db2.gz ANJBBVDQQHYDCK-UHFFFAOYSA-N 1 0 294.399 3.000 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000356856617 232845231 /nfs/dbraw/zinc/84/52/31/232845231.db2.gz WHRJOXRUXHULST-IHRRRGAJSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000603859635 348099638 /nfs/dbraw/zinc/09/96/38/348099638.db2.gz LGOAZTHEZRKRDC-ZIAGYGMSSA-N 1 0 291.395 3.375 20 5 CGBDRO CCOC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000604273871 348112760 /nfs/dbraw/zinc/11/27/60/348112760.db2.gz TZCAYOXGVYIYGU-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO CSc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000603426474 348082167 /nfs/dbraw/zinc/08/21/67/348082167.db2.gz DUMXZGXHYMRZLS-UHFFFAOYSA-N 1 0 292.360 3.242 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000610410631 348381438 /nfs/dbraw/zinc/38/14/38/348381438.db2.gz RBFQVFDSDJZVNG-AWEZNQCLSA-N 1 0 292.379 3.471 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000610002293 348359811 /nfs/dbraw/zinc/35/98/11/348359811.db2.gz WLYPQAQOALTUQZ-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610539279 348389686 /nfs/dbraw/zinc/38/96/86/348389686.db2.gz GJUXCNBLBGAHBU-QWHCGFSZSA-N 1 0 285.347 3.444 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581217 348391066 /nfs/dbraw/zinc/39/10/66/348391066.db2.gz RVYATXXSBCSNAF-JTQLQIEISA-N 1 0 277.324 3.356 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000610717433 348398699 /nfs/dbraw/zinc/39/86/99/348398699.db2.gz MXHGXJFHVOWTPF-LBPRGKRZSA-N 1 0 298.408 3.341 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000611272396 348434304 /nfs/dbraw/zinc/43/43/04/348434304.db2.gz GVBHIDQSKZXZKM-CYBMUJFWSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337519 348438813 /nfs/dbraw/zinc/43/88/13/348438813.db2.gz XLZOETFORGAPQV-HOCLYGCPSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccsc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000611412615 348449045 /nfs/dbraw/zinc/44/90/45/348449045.db2.gz DMYPJEWXRMKUDP-GFCCVEGCSA-N 1 0 295.408 3.111 20 5 CGBDRO CC(C)([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000612473386 348522179 /nfs/dbraw/zinc/52/21/79/348522179.db2.gz KYPVQVCHJQMRSI-UHFFFAOYSA-N 1 0 275.308 3.014 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOC[C@@H]1C ZINC000615835242 348768060 /nfs/dbraw/zinc/76/80/60/348768060.db2.gz CWSZXQPLFNWREZ-XXYUJHKVSA-N 1 0 290.363 3.109 20 5 CGBDRO CCn1ccc(CN(C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000616131686 348788882 /nfs/dbraw/zinc/78/88/82/348788882.db2.gz YEUZZFSGDMGVKO-UHFFFAOYSA-N 1 0 273.336 3.048 20 5 CGBDRO CCn1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000616737773 348876507 /nfs/dbraw/zinc/87/65/07/348876507.db2.gz WVORLPJPLUVPJV-UHFFFAOYSA-N 1 0 287.363 3.357 20 5 CGBDRO CC1(C)CCC[N@H+](CCNc2ccsc2[N+](=O)[O-])C1 ZINC000618175365 349056819 /nfs/dbraw/zinc/05/68/19/349056819.db2.gz TYLOTZLNDVUTTE-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO O=[N+]([O-])c1cnc2c(c1)CN([C@H]1CCc3ccccc31)CC2 ZINC000618753810 349152820 /nfs/dbraw/zinc/15/28/20/349152820.db2.gz WQRASCVEIPCMBM-KRWDZBQOSA-N 1 0 295.342 3.035 20 5 CGBDRO CC(C)([NH2+]C[C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000291667806 198056902 /nfs/dbraw/zinc/05/69/02/198056902.db2.gz FXKPLNRQQAWXLL-LLVKDONJSA-N 1 0 280.393 3.173 20 5 CGBDRO COCCC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000271503236 191179043 /nfs/dbraw/zinc/17/90/43/191179043.db2.gz NMKVOQHRZCGWAF-JTQLQIEISA-N 1 0 286.759 3.153 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000271518933 191189465 /nfs/dbraw/zinc/18/94/65/191189465.db2.gz OBNNMOABFJSACK-QWRGUYRKSA-N 1 0 274.324 3.038 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000292278952 198228235 /nfs/dbraw/zinc/22/82/35/198228235.db2.gz BPQRMGLWXZSOCJ-LBPRGKRZSA-N 1 0 280.393 3.170 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152510254 188024647 /nfs/dbraw/zinc/02/46/47/188024647.db2.gz FUQZUHNNFKCQIQ-QWHCGFSZSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000158032290 188353843 /nfs/dbraw/zinc/35/38/43/188353843.db2.gz QIKXXOINKKCFSH-HOSRBBHYSA-N 1 0 260.337 3.338 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000414220792 235366985 /nfs/dbraw/zinc/36/69/85/235366985.db2.gz CLCHUVOULGJRGL-ZMLRMANQSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414222771 235367967 /nfs/dbraw/zinc/36/79/67/235367967.db2.gz FQOVRIRYSGTJNL-DYEKYZERSA-N 1 0 294.420 3.400 20 5 CGBDRO CC(C)(C)OC1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000352684515 219560164 /nfs/dbraw/zinc/56/01/64/219560164.db2.gz OFIKUYMSOIAPHJ-UHFFFAOYSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1c([C@H](C)N[C@H](C[NH3+])C2CCCC2)cccc1[N+](=O)[O-] ZINC000423499752 236086899 /nfs/dbraw/zinc/08/68/99/236086899.db2.gz JORXGUZBENBQCW-SWLSCSKDSA-N 1 0 291.395 3.071 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426455468 236295702 /nfs/dbraw/zinc/29/57/02/236295702.db2.gz SQZNDHCEJOPCIM-SWLSCSKDSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000426828801 236317163 /nfs/dbraw/zinc/31/71/63/236317163.db2.gz WSVYXKBWYTXNAH-KBPBESRZSA-N 1 0 290.363 3.096 20 5 CGBDRO C[C@H]([NH2+]CCCC(C)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000297430497 200187223 /nfs/dbraw/zinc/18/72/23/200187223.db2.gz VGMLSYWFZPZEQV-VIFPVBQESA-N 1 0 287.310 3.263 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C(C)C ZINC000341810290 216115220 /nfs/dbraw/zinc/11/52/20/216115220.db2.gz QUQICFSASUMVHF-LLVKDONJSA-N 1 0 266.341 3.080 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccoc1 ZINC000178477024 189119294 /nfs/dbraw/zinc/11/92/94/189119294.db2.gz NYDXHIDQKFSVFF-GFCCVEGCSA-N 1 0 274.320 3.299 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000342269918 216283965 /nfs/dbraw/zinc/28/39/65/216283965.db2.gz ABAJOUOKDBMQDR-ZTGIWPAFSA-N 1 0 264.300 3.088 20 5 CGBDRO Cc1ccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301597398 201089594 /nfs/dbraw/zinc/08/95/94/201089594.db2.gz SRQUIOLQYZKUSK-QWHCGFSZSA-N 1 0 277.368 3.188 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301826834 201220378 /nfs/dbraw/zinc/22/03/78/201220378.db2.gz PFPWDXLLQDMVQG-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000119750634 370705625 /nfs/dbraw/zinc/70/56/25/370705625.db2.gz WJKMIANSMFIKJR-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000451459964 240305725 /nfs/dbraw/zinc/30/57/25/240305725.db2.gz QSNKLTOKJHUADK-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451632398 240337391 /nfs/dbraw/zinc/33/73/91/240337391.db2.gz OIIZUZPJGRELCY-KCPJHIHWSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451902174 240379252 /nfs/dbraw/zinc/37/92/52/240379252.db2.gz NWPMWGVOBWNEKF-CZUORRHYSA-N 1 0 290.363 3.158 20 5 CGBDRO CC(C)(C)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000330403166 202781770 /nfs/dbraw/zinc/78/17/70/202781770.db2.gz VKFOBDFMKPHHRK-UHFFFAOYSA-N 1 0 294.399 3.255 20 5 CGBDRO CCC[C@H](N[C@H]1CC[NH2+][C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397855 283941220 /nfs/dbraw/zinc/94/12/20/283941220.db2.gz VAIFRMOOTZDNLY-INWMFGNUSA-N 1 0 291.395 3.166 20 5 CGBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)no1 ZINC000459418831 242101664 /nfs/dbraw/zinc/10/16/64/242101664.db2.gz GCHKXRKZZLLVFR-UHFFFAOYSA-N 1 0 289.335 3.004 20 5 CGBDRO CC[NH+](CC)CCSc1cc(C)c([N+](=O)[O-])cc1F ZINC000461933294 242318895 /nfs/dbraw/zinc/31/88/95/242318895.db2.gz DTJXDXLMYOGLOK-UHFFFAOYSA-N 1 0 286.372 3.476 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461966142 242321019 /nfs/dbraw/zinc/32/10/19/242321019.db2.gz ODPLAIVVYIXNAW-VXGBXAGGSA-N 1 0 295.358 3.327 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@@H]1C ZINC000275882583 193155865 /nfs/dbraw/zinc/15/58/65/193155865.db2.gz QOSHPMCOWWTVIH-YWPYICTPSA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492112322 243883069 /nfs/dbraw/zinc/88/30/69/243883069.db2.gz WOMPXIRYPMAVOC-CHWSQXEVSA-N 1 0 292.379 3.235 20 5 CGBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000037771638 369107496 /nfs/dbraw/zinc/10/74/96/369107496.db2.gz NAURTDYNEBGJRM-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492821636 244030444 /nfs/dbraw/zinc/03/04/44/244030444.db2.gz ZJQIYUOVDMRSQN-KGLIPLIRSA-N 1 0 290.363 3.368 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492821638 244030996 /nfs/dbraw/zinc/03/09/96/244030996.db2.gz ZJQIYUOVDMRSQN-ZIAGYGMSSA-N 1 0 290.363 3.368 20 5 CGBDRO CCOC[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000494222216 244271287 /nfs/dbraw/zinc/27/12/87/244271287.db2.gz DLEMKLGKJRXBBX-LBPRGKRZSA-N 1 0 280.368 3.233 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])O1 ZINC000495180543 244364093 /nfs/dbraw/zinc/36/40/93/244364093.db2.gz NSCVZQFPBXXOQK-BRLPQQTGSA-N 1 0 290.363 3.155 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(F)c(F)c2)c1 ZINC000049577376 369410341 /nfs/dbraw/zinc/41/03/41/369410341.db2.gz JBVCDGZWOXKINK-UHFFFAOYSA-N 1 0 278.258 3.163 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000276293612 193275226 /nfs/dbraw/zinc/27/52/26/193275226.db2.gz ILQZJFMQHDXXBG-LLVKDONJSA-N 1 0 284.356 3.061 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000067949223 369737219 /nfs/dbraw/zinc/73/72/19/369737219.db2.gz WDECRNBTXJOABR-CYBMUJFWSA-N 1 0 293.298 3.042 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000129622364 370996581 /nfs/dbraw/zinc/99/65/81/370996581.db2.gz SUAMZGKELHQZHI-VHSXEESVSA-N 1 0 277.349 3.463 20 5 CGBDRO COCCCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130861041 371065582 /nfs/dbraw/zinc/06/55/82/371065582.db2.gz HESFXCFFIKZDER-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH2+]CCCF)cs2)c1 ZINC000136501130 371478044 /nfs/dbraw/zinc/47/80/44/371478044.db2.gz YIVVYWXGSHEBMB-UHFFFAOYSA-N 1 0 295.339 3.168 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCOC(F)(F)F)cccc1[N+](=O)[O-] ZINC000353315633 220023410 /nfs/dbraw/zinc/02/34/10/220023410.db2.gz QKPLKLMVOWIRQF-VIFPVBQESA-N 1 0 292.257 3.090 20 5 CGBDRO Cc1ccc(C[N@H+](CCO)C2CCCCC2)cc1[N+](=O)[O-] ZINC000155139176 371907045 /nfs/dbraw/zinc/90/70/45/371907045.db2.gz DGXYOUURVDFWBW-UHFFFAOYSA-N 1 0 292.379 3.030 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000290142302 371915216 /nfs/dbraw/zinc/91/52/16/371915216.db2.gz KRVZRIQWWBQRDJ-JMSVASOKSA-N 1 0 280.368 3.449 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000290281855 371953705 /nfs/dbraw/zinc/95/37/05/371953705.db2.gz XGXVZIDLZOMRBB-WFASDCNBSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291101912 372115417 /nfs/dbraw/zinc/11/54/17/372115417.db2.gz DTZKGMQXVOYDNG-CVEARBPZSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000344224720 217106847 /nfs/dbraw/zinc/10/68/47/217106847.db2.gz WLJHDNYQBQWGKM-OAHLLOKOSA-N 1 0 289.335 3.358 20 5 CGBDRO COC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000292874194 372234321 /nfs/dbraw/zinc/23/43/21/372234321.db2.gz DMOFXVZLEDSYBD-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429298753 372346479 /nfs/dbraw/zinc/34/64/79/372346479.db2.gz FTBQQIWMVJSWCH-NSHDSACASA-N 1 0 298.383 3.309 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1CCCCS1 ZINC000344331825 217155871 /nfs/dbraw/zinc/15/58/71/217155871.db2.gz BINJZNCKYFILOA-HZRUHFOJSA-N 1 0 292.404 3.483 20 5 CGBDRO O=[N+]([O-])c1ccc(C(F)(F)F)c(CN2CCCC2)c1 ZINC000293320867 372353857 /nfs/dbraw/zinc/35/38/57/372353857.db2.gz CIOUWDOTDZLLOJ-UHFFFAOYSA-N 1 0 274.242 3.209 20 5 CGBDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000429462046 372369377 /nfs/dbraw/zinc/36/93/77/372369377.db2.gz OTFHCBMFSGPPLX-QMMMGPOBSA-N 1 0 256.252 3.043 20 5 CGBDRO CCCC[N@H+](C)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163509277 372476117 /nfs/dbraw/zinc/47/61/17/372476117.db2.gz SOYQEIWLQJJSNI-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO CC[C@H](C)[C@@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163975001 372502699 /nfs/dbraw/zinc/50/26/99/372502699.db2.gz ZRCKNDFORCELPJ-CQDKDKBSSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cscn1 ZINC000171399303 372750110 /nfs/dbraw/zinc/75/01/10/372750110.db2.gz VOUIGYRSQURBGB-JTQLQIEISA-N 1 0 277.349 3.244 20 5 CGBDRO Cc1ccnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000353506256 220124833 /nfs/dbraw/zinc/12/48/33/220124833.db2.gz XMWAFLCAFLIQMI-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000438349510 372935189 /nfs/dbraw/zinc/93/51/89/372935189.db2.gz OBDNGDLPIYZVIW-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353510466 220128292 /nfs/dbraw/zinc/12/82/92/220128292.db2.gz MLLVXJFNKHGVQZ-GDBMZVCRSA-N 1 0 292.379 3.044 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](C2CCC2)CC1 ZINC000296031079 373000095 /nfs/dbraw/zinc/00/00/95/373000095.db2.gz PBKRLGXWLAGCFB-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO COC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CCC1 ZINC000344805750 217317968 /nfs/dbraw/zinc/31/79/68/217317968.db2.gz DZNBEGOJQYNFRM-UKTHLTGXSA-N 1 0 290.363 3.157 20 5 CGBDRO CC(F)(F)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000296177432 373044911 /nfs/dbraw/zinc/04/49/11/373044911.db2.gz XMTIJUZKVREBQW-UHFFFAOYSA-N 1 0 258.268 3.120 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173406910 373137548 /nfs/dbraw/zinc/13/75/48/373137548.db2.gz HCXWNZGRSKIEJL-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCc3c2cccc3O)cccc1[N+](=O)[O-] ZINC000296667717 373216484 /nfs/dbraw/zinc/21/64/84/373216484.db2.gz KLYFUOLBYVKTDA-OAHLLOKOSA-N 1 0 298.342 3.386 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000296599650 373191251 /nfs/dbraw/zinc/19/12/51/373191251.db2.gz VMHJAFCPZKGDRR-SMDDNHRTSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000173814392 373196143 /nfs/dbraw/zinc/19/61/43/373196143.db2.gz YFBODCKEOBNTQX-JSGCOSHPSA-N 1 0 260.337 3.359 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC12CCC2 ZINC000444787757 373275282 /nfs/dbraw/zinc/27/52/82/373275282.db2.gz RZXTUQVHLXJENB-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO Cc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC000446855049 373372022 /nfs/dbraw/zinc/37/20/22/373372022.db2.gz FXWCEUAKGPFNEB-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nccs1 ZINC000175089536 373406425 /nfs/dbraw/zinc/40/64/25/373406425.db2.gz WBTKQXZMDLMWCF-JTQLQIEISA-N 1 0 277.349 3.244 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000301091344 373657172 /nfs/dbraw/zinc/65/71/72/373657172.db2.gz LJCAJBZTYKHZMT-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCCC[C@H]1C ZINC000301161729 373679577 /nfs/dbraw/zinc/67/95/77/373679577.db2.gz HMCNTXQXJLQELZ-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000449500600 373798720 /nfs/dbraw/zinc/79/87/20/373798720.db2.gz NXYGDPUZIMGOJS-CQSZACIVSA-N 1 0 260.337 3.184 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449740641 373871353 /nfs/dbraw/zinc/87/13/53/373871353.db2.gz HBNCCAKLRFNATE-ZFWWWQNUSA-N 1 0 260.337 3.039 20 5 CGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302480994 373877341 /nfs/dbraw/zinc/87/73/41/373877341.db2.gz GMOPNTOLRCFQJI-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cs1 ZINC000310693678 374222168 /nfs/dbraw/zinc/22/21/68/374222168.db2.gz ORTSJLPQMAYADA-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311878730 374260289 /nfs/dbraw/zinc/26/02/89/374260289.db2.gz MSJDYOANROGDHW-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311940459 374262153 /nfs/dbraw/zinc/26/21/53/374262153.db2.gz XKIJICTZXWYJES-NSHDSACASA-N 1 0 266.316 3.402 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314187622 374314118 /nfs/dbraw/zinc/31/41/18/374314118.db2.gz NRXACKKYOPQXQZ-NOLJZWGESA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000183349720 374403772 /nfs/dbraw/zinc/40/37/72/374403772.db2.gz OBJGWVWFARQGIT-OKILXGFUSA-N 1 0 260.337 3.135 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCOCC1 ZINC000330579472 374483633 /nfs/dbraw/zinc/48/36/33/374483633.db2.gz QSUXIWNKTAWGCW-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H]1C[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000493211112 375464808 /nfs/dbraw/zinc/46/48/08/375464808.db2.gz NZGOTOPGMYMSEV-AOOOYVTPSA-N 1 0 268.744 3.336 20 5 CGBDRO CC1(C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)CC(C)(C)O1 ZINC000190567588 375519943 /nfs/dbraw/zinc/51/99/43/375519943.db2.gz UCNGJLMNPVSHNI-UHFFFAOYSA-N 1 0 292.379 3.027 20 5 CGBDRO CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190933852 375551608 /nfs/dbraw/zinc/55/16/08/375551608.db2.gz NFNSXDYJQJMHBI-KBPBESRZSA-N 1 0 292.379 3.375 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509019971 375767889 /nfs/dbraw/zinc/76/78/89/375767889.db2.gz AUZSWADFTYTKGU-RKDXNWHRSA-N 1 0 272.295 3.397 20 5 CGBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000536023639 376077478 /nfs/dbraw/zinc/07/74/78/376077478.db2.gz UMYFJYZEDZVAJE-OAHLLOKOSA-N 1 0 283.331 3.193 20 5 CGBDRO CC[C@@H](NCCC[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000221919600 376223055 /nfs/dbraw/zinc/22/30/55/376223055.db2.gz JXGJUARURXCILD-MRXNPFEDSA-N 1 0 293.411 3.366 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956021 376280349 /nfs/dbraw/zinc/28/03/49/376280349.db2.gz HGRWLWMWSYTXGY-OCCSQVGLSA-N 1 0 262.353 3.400 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000222766614 376241456 /nfs/dbraw/zinc/24/14/56/376241456.db2.gz WGGWELYQIHRZKV-SGMGOOAPSA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)C1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000227832853 376415079 /nfs/dbraw/zinc/41/50/79/376415079.db2.gz BDWIRPBSFWQGTB-UHFFFAOYSA-N 1 0 254.355 3.182 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000540055782 376354782 /nfs/dbraw/zinc/35/47/82/376354782.db2.gz JNNCOGJYBCATNY-STQMWFEESA-N 1 0 278.352 3.237 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000228765460 376447144 /nfs/dbraw/zinc/44/71/44/376447144.db2.gz SHZFLTJNGYPFAC-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](CC(C)C)CC2)c1 ZINC000228762193 376447226 /nfs/dbraw/zinc/44/72/26/376447226.db2.gz NJZDLSZTGFWVKB-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1ccc(O)cc1 ZINC000338709093 376491816 /nfs/dbraw/zinc/49/18/16/376491816.db2.gz PUFGSFXVVYACDA-HYXAFXHYSA-N 1 0 298.342 3.146 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000233356424 376596709 /nfs/dbraw/zinc/59/67/09/376596709.db2.gz CXVQYTUTPOMRHS-MAZHCROVSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000339003379 376622919 /nfs/dbraw/zinc/62/29/19/376622919.db2.gz PGKOANLQPDDROE-NEPJUHHUSA-N 1 0 295.358 3.409 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245528596 376843012 /nfs/dbraw/zinc/84/30/12/376843012.db2.gz QTRDQGINDSZHNE-UONOGXRCSA-N 1 0 292.379 3.323 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558737249 377042275 /nfs/dbraw/zinc/04/22/75/377042275.db2.gz ZEAIGKDKOMVOQK-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCCOC1 ZINC000558414088 377004365 /nfs/dbraw/zinc/00/43/65/377004365.db2.gz WSPFGIONXLVJIF-LRFDDAOPSA-N 1 0 290.363 3.109 20 5 CGBDRO CO[C@H](CC(C)C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000561235141 377214867 /nfs/dbraw/zinc/21/48/67/377214867.db2.gz ZGXVSAFNLINSFT-CQSZACIVSA-N 1 0 292.379 3.014 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000248145280 377273089 /nfs/dbraw/zinc/27/30/89/377273089.db2.gz QBHGKRRKTHAMPV-XEZPLFJOSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1cc(F)ccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000088510508 249026611 /nfs/dbraw/zinc/02/66/11/249026611.db2.gz VALCRELXJNTVNA-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000515249305 249206575 /nfs/dbraw/zinc/20/65/75/249206575.db2.gz HDYDRAXEYFQERE-JTQLQIEISA-N 1 0 273.336 3.007 20 5 CGBDRO CCCCOCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000516979540 249253140 /nfs/dbraw/zinc/25/31/40/249253140.db2.gz OLMQSFFKGWYSQS-HNNXBMFYSA-N 1 0 292.379 3.379 20 5 CGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CC1 ZINC000255680230 377775786 /nfs/dbraw/zinc/77/57/86/377775786.db2.gz DQYVNFZXDRUSMQ-ALCCZGGFSA-N 1 0 260.337 3.340 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CC[NH2+]Cc2ccccc21 ZINC000261925213 377869379 /nfs/dbraw/zinc/86/93/79/377869379.db2.gz IOHBZMIYQUFGIV-CYBMUJFWSA-N 1 0 297.358 3.266 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000263633535 377949196 /nfs/dbraw/zinc/94/91/96/377949196.db2.gz QIKXXOINKKCFSH-SMYYYNMVSA-N 1 0 260.337 3.338 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000268914190 378151610 /nfs/dbraw/zinc/15/16/10/378151610.db2.gz IMGDYESSVBOSDR-CABCVRRESA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1cncc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000343836180 378107908 /nfs/dbraw/zinc/10/79/08/378107908.db2.gz GBODSPPADYOSTG-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1cnc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)c1 ZINC000579469131 378162782 /nfs/dbraw/zinc/16/27/82/378162782.db2.gz UPFLSVLPDKNMGG-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCS1 ZINC000579611496 378177082 /nfs/dbraw/zinc/17/70/82/378177082.db2.gz MKHISMDVFJESHQ-UKRRQHHQSA-N 1 0 292.404 3.457 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCSCC1 ZINC000270516136 378361238 /nfs/dbraw/zinc/36/12/38/378361238.db2.gz DENLWLMXRVMQIF-LLVKDONJSA-N 1 0 266.366 3.095 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3c2cccc3O)cc1 ZINC000270887389 378410082 /nfs/dbraw/zinc/41/00/82/378410082.db2.gz ZXUCNFYWIOOEFZ-MRXNPFEDSA-N 1 0 298.342 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3c2cccc3O)cc1 ZINC000270887385 378410422 /nfs/dbraw/zinc/41/04/22/378410422.db2.gz ZXUCNFYWIOOEFZ-INIZCTEOSA-N 1 0 298.342 3.120 20 5 CGBDRO COC1(C)CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000272399552 378628141 /nfs/dbraw/zinc/62/81/41/378628141.db2.gz WSNHCPVCMISLFN-FNORWQNLSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000272519097 378656688 /nfs/dbraw/zinc/65/66/88/378656688.db2.gz XZCWPTXYDIVTHH-TVQRCGJNSA-N 1 0 252.289 3.012 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278502394 194015817 /nfs/dbraw/zinc/01/58/17/194015817.db2.gz LRWYLOHEVPUTND-MAZHCROVSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@@H]1CCC=CO1 ZINC000278512052 194020728 /nfs/dbraw/zinc/02/07/28/194020728.db2.gz PXMYNYHJPMISRM-ZDUSSCGKSA-N 1 0 296.754 3.073 20 5 CGBDRO CS[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000567542834 322167232 /nfs/dbraw/zinc/16/72/32/322167232.db2.gz YBOYOONOTVECAA-CYBMUJFWSA-N 1 0 282.409 3.462 20 5 CGBDRO [NH3+]CCN(C/C=C\c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000348926985 379114423 /nfs/dbraw/zinc/11/44/23/379114423.db2.gz ZQCUOAPZDJPMMV-TWGQIWQCSA-N 1 0 297.358 3.073 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000279872730 379540484 /nfs/dbraw/zinc/54/04/84/379540484.db2.gz CBXLZXHMAZHBIM-CJNGLKHVSA-N 1 0 292.379 3.201 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000280543665 379728756 /nfs/dbraw/zinc/72/87/56/379728756.db2.gz STXMIWRAULKXGO-UKRRQHHQSA-N 1 0 292.379 3.029 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000352650378 379892673 /nfs/dbraw/zinc/89/26/73/379892673.db2.gz WGZWUPCIZYHFNC-XQRVVYSFSA-N 1 0 272.304 3.333 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CCC2)cc1 ZINC000353081753 380106695 /nfs/dbraw/zinc/10/66/95/380106695.db2.gz DXZCPTNQUCDOFP-UHFFFAOYSA-N 1 0 288.269 3.417 20 5 CGBDRO COCC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000353084970 380109357 /nfs/dbraw/zinc/10/93/57/380109357.db2.gz AKKNNTAJGSBQKD-UHFFFAOYSA-N 1 0 298.408 3.343 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCC23CCCC3)c1 ZINC000353246004 380187622 /nfs/dbraw/zinc/18/76/22/380187622.db2.gz DINVLRUICICDRK-AWEZNQCLSA-N 1 0 260.337 3.407 20 5 CGBDRO COCC[C@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000414477922 380255629 /nfs/dbraw/zinc/25/56/29/380255629.db2.gz DWXDCBZNJIMFOG-GFAPJHNFSA-N 1 0 292.379 3.260 20 5 CGBDRO CCCCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000353994869 380269324 /nfs/dbraw/zinc/26/93/24/380269324.db2.gz DIDXBGMZKKCCND-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccc[nH]1 ZINC000354035103 380292748 /nfs/dbraw/zinc/29/27/48/380292748.db2.gz VXLDMVWDSCNSIE-FNORWQNLSA-N 1 0 271.320 3.068 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000354355549 380411139 /nfs/dbraw/zinc/41/11/39/380411139.db2.gz VNGIROIMEZMROV-YPMHNXCESA-N 1 0 295.358 3.043 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCOC1)CCCC2 ZINC000417325412 380593433 /nfs/dbraw/zinc/59/34/33/380593433.db2.gz BYFIHHRKRUZKHA-CJNGLKHVSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000417332263 380594592 /nfs/dbraw/zinc/59/45/92/380594592.db2.gz CZRIUHSJAZDSTM-GJZGRUSLSA-N 1 0 286.375 3.306 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1(C(F)F)CC1 ZINC000355150004 380598731 /nfs/dbraw/zinc/59/87/31/380598731.db2.gz KESAIIQCZABSTP-UHFFFAOYSA-N 1 0 270.279 3.038 20 5 CGBDRO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344291 380599883 /nfs/dbraw/zinc/59/98/83/380599883.db2.gz PYSBAIAOJWBMCP-MQIPJXDCSA-N 1 0 292.379 3.111 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417365501 380611579 /nfs/dbraw/zinc/61/15/79/380611579.db2.gz NPWXJPBGSHVRGF-WCQYABFASA-N 1 0 260.337 3.354 20 5 CGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000420287920 380844262 /nfs/dbraw/zinc/84/42/62/380844262.db2.gz RVEHNVMOGYRDLV-HMKSTLMESA-N 1 0 295.770 3.176 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC2(C)C)c([N+](=O)[O-])cc1F ZINC000362326774 381942433 /nfs/dbraw/zinc/94/24/33/381942433.db2.gz VZKHZLSJPYKRPY-SNVBAGLBSA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362439877 381990836 /nfs/dbraw/zinc/99/08/36/381990836.db2.gz PWTJKYMNGLDLLJ-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000362435583 381991796 /nfs/dbraw/zinc/99/17/96/381991796.db2.gz DLYQAAQXYAQMFO-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841344 197502289 /nfs/dbraw/zinc/50/22/89/197502289.db2.gz KFVNRLASDIJEKP-DOMZBBRYSA-N 1 0 280.368 3.139 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCCC2CC2)n1 ZINC000516145754 285168129 /nfs/dbraw/zinc/16/81/29/285168129.db2.gz OLSLXNMENHYVTO-UONOGXRCSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@@H](Nc1sccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000302003633 542414063 /nfs/dbraw/zinc/41/40/63/542414063.db2.gz JUZLWCRHNSYXFS-SECBINFHSA-N 1 0 271.386 3.045 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360036 195209682 /nfs/dbraw/zinc/20/96/82/195209682.db2.gz LDLZFZKBUKKZPA-CHWSQXEVSA-N 1 0 278.352 3.157 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000282119617 195510789 /nfs/dbraw/zinc/51/07/89/195510789.db2.gz JKSFMDQQKPRGLZ-AWEZNQCLSA-N 1 0 276.336 3.026 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000191046149 130176464 /nfs/dbraw/zinc/17/64/64/130176464.db2.gz DPKSKPSSNAUWSN-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CC[C@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000191061727 130178781 /nfs/dbraw/zinc/17/87/81/130178781.db2.gz LCXNMPSDDFIGJT-NILFDRSVSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@](O)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000191669633 130274061 /nfs/dbraw/zinc/27/40/61/130274061.db2.gz HOJXEHOKJJQCJT-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000048557179 392003276 /nfs/dbraw/zinc/00/32/76/392003276.db2.gz WEIDFRMNJMDEFS-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000091555435 392231615 /nfs/dbraw/zinc/23/16/15/392231615.db2.gz MPPOKVSUXNIBPJ-JQWIXIFHSA-N 1 0 268.382 3.387 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000282059714 392279137 /nfs/dbraw/zinc/27/91/37/392279137.db2.gz MNQCYQAKMWHIEC-SKDRFNHKSA-N 1 0 282.315 3.021 20 5 CGBDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551239 392594770 /nfs/dbraw/zinc/59/47/70/392594770.db2.gz QRNIWNTWLGDJPP-MFKMUULPSA-N 1 0 297.786 3.025 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505800554 392699459 /nfs/dbraw/zinc/69/94/59/392699459.db2.gz CLFDJXFDNICJFT-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)C ZINC000510625848 392806064 /nfs/dbraw/zinc/80/60/64/392806064.db2.gz ZXVBAKFRZZVJCG-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935586 393074681 /nfs/dbraw/zinc/07/46/81/393074681.db2.gz KOKDDOQQGLHIJG-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@H]1CN(Cc2cccc([N+](=O)[O-])c2)c2ccccc2C[NH2+]1 ZINC000262466038 393147295 /nfs/dbraw/zinc/14/72/95/393147295.db2.gz IWSRLBXBZRMCIQ-ZDUSSCGKSA-N 1 0 297.358 3.093 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000268990385 393215974 /nfs/dbraw/zinc/21/59/74/393215974.db2.gz RAWITUQYLMHHCH-IUODEOHRSA-N 1 0 280.368 3.225 20 5 CGBDRO CC(C)(C)OC1CC([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000272381320 393261473 /nfs/dbraw/zinc/26/14/73/393261473.db2.gz HQNWNDBYSHOMNU-UHFFFAOYSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722570 393413256 /nfs/dbraw/zinc/41/32/56/393413256.db2.gz HPMCQGZJOXPBRC-AGIUHOORSA-N 1 0 262.353 3.461 20 5 CGBDRO CC(C)[NH+](CCN(C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000356345953 393424876 /nfs/dbraw/zinc/42/48/76/393424876.db2.gz MFMLROCGAZHBCO-UHFFFAOYSA-N 1 0 293.411 3.145 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563022 393480507 /nfs/dbraw/zinc/48/05/07/393480507.db2.gz AWJZRBMFSGCNKL-CMPLNLGQSA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@H](C)C1 ZINC000488241333 393473381 /nfs/dbraw/zinc/47/33/81/393473381.db2.gz DDRJSYNMXKQWNT-NEPJUHHUSA-N 1 0 280.393 3.341 20 5 CGBDRO CCOc1cc(C[N@H+]2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430284099 393558868 /nfs/dbraw/zinc/55/88/68/393558868.db2.gz KPJXJNOHHUFYLT-LBPRGKRZSA-N 1 0 290.363 3.392 20 5 CGBDRO CCC[C@H](N[C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262013 393656864 /nfs/dbraw/zinc/65/68/64/393656864.db2.gz LJUHZCXHGKPUSB-ZBFHGGJFSA-N 1 0 293.411 3.399 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC(F)(F)C2)c(F)c1 ZINC000453593828 394252448 /nfs/dbraw/zinc/25/24/48/394252448.db2.gz VNHBJOCRKDDKHH-UHFFFAOYSA-N 1 0 288.269 3.259 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159238431 287034465 /nfs/dbraw/zinc/03/44/65/287034465.db2.gz DRQULGRELYFJRA-UHOFOFEASA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@@](C)(CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000083469735 287080054 /nfs/dbraw/zinc/08/00/54/287080054.db2.gz CTGHKMDFLXKTQH-INIZCTEOSA-N 1 0 294.395 3.359 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCC1CC1)C1CC1 ZINC000090118365 165227565 /nfs/dbraw/zinc/22/75/65/165227565.db2.gz RBEQZSHUANDUAP-OAHLLOKOSA-N 1 0 274.364 3.306 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000090857720 165247607 /nfs/dbraw/zinc/24/76/07/165247607.db2.gz YQSQOERTANITHL-TUKIKUTGSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(C[N@H+]2CCS[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000093500193 165330547 /nfs/dbraw/zinc/33/05/47/165330547.db2.gz VKWQACGFJMQDRA-NWDGAFQWSA-N 1 0 280.393 3.229 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121913662 287204678 /nfs/dbraw/zinc/20/46/78/287204678.db2.gz LEQNRGLXTORTPL-GFCCVEGCSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H](NCCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000020526187 171239021 /nfs/dbraw/zinc/23/90/21/171239021.db2.gz SFCOGSJCJLCCIG-AWEZNQCLSA-N 1 0 291.395 3.121 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C(C)C ZINC000126393520 287263670 /nfs/dbraw/zinc/26/36/70/287263670.db2.gz VIGMDDNCDIKXSF-UHFFFAOYSA-N 1 0 288.294 3.427 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308100 172121542 /nfs/dbraw/zinc/12/15/42/172121542.db2.gz FSNJCQDVZYUFMP-MFKMUULPSA-N 1 0 266.316 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cccc(F)c2)cc1 ZINC000035677703 172348415 /nfs/dbraw/zinc/34/84/15/172348415.db2.gz KYLTUFZDHXOFTJ-UHFFFAOYSA-N 1 0 274.295 3.066 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000038079460 174089213 /nfs/dbraw/zinc/08/92/13/174089213.db2.gz KZBJVFNJWPRHBE-LLVKDONJSA-N 1 0 292.360 3.386 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000040675919 174373539 /nfs/dbraw/zinc/37/35/39/174373539.db2.gz DGAJIQJLSBOKQD-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000044499312 175184672 /nfs/dbraw/zinc/18/46/72/175184672.db2.gz WMFMNBACPWFIQW-NEPJUHHUSA-N 1 0 288.351 3.223 20 5 CGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000071377649 176142950 /nfs/dbraw/zinc/14/29/50/176142950.db2.gz PFWGJEJYDXXIPY-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000078542592 177351700 /nfs/dbraw/zinc/35/17/00/177351700.db2.gz HJAWKKAQUXLYSH-CYBMUJFWSA-N 1 0 283.759 3.000 20 5 CGBDRO CN(CCOCC1CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000130814129 287363788 /nfs/dbraw/zinc/36/37/88/287363788.db2.gz UOIJEDUWBFAXBY-UHFFFAOYSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)cs1 ZINC000347669127 226216226 /nfs/dbraw/zinc/21/62/26/226216226.db2.gz WOWLAFWBVHSJJR-ZDUSSCGKSA-N 1 0 296.392 3.047 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691556 270039098 /nfs/dbraw/zinc/03/90/98/270039098.db2.gz VZVOBGQBHCLZFB-UONOGXRCSA-N 1 0 293.411 3.284 20 5 CGBDRO C[C@@H](SCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000519149926 265337773 /nfs/dbraw/zinc/33/77/73/265337773.db2.gz QCOXDZVAGCWPSO-LLVKDONJSA-N 1 0 280.393 3.389 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1c(C)cccc1[N+](=O)[O-] ZINC000096482950 265369663 /nfs/dbraw/zinc/36/96/63/265369663.db2.gz HWZHRROVWIBVFR-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000230655867 270088980 /nfs/dbraw/zinc/08/89/80/270088980.db2.gz ZGKRDIYZALEAMF-RISCZKNCSA-N 1 0 262.353 3.429 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000525120856 270117413 /nfs/dbraw/zinc/11/74/13/270117413.db2.gz ARIYQEPNDLWBJD-CHWSQXEVSA-N 1 0 262.353 3.258 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531984408 270212548 /nfs/dbraw/zinc/21/25/48/270212548.db2.gz LGYLYQZJRNOTQF-DOMZBBRYSA-N 1 0 280.368 3.225 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(F)cc1 ZINC000449065083 274231418 /nfs/dbraw/zinc/23/14/18/274231418.db2.gz XMRPYOVELYERKH-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO CC(C)c1ccc(CNC[C@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000491588335 275740681 /nfs/dbraw/zinc/74/06/81/275740681.db2.gz HLUHKSKDUCBYBB-ZDUSSCGKSA-N 1 0 293.411 3.006 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000301573510 276336309 /nfs/dbraw/zinc/33/63/09/276336309.db2.gz PJWABVLKAOVFPA-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO CC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000361252359 276353882 /nfs/dbraw/zinc/35/38/82/276353882.db2.gz QPBJKDIEYGLYAX-AWEZNQCLSA-N 1 0 292.379 3.329 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000362977164 276559922 /nfs/dbraw/zinc/55/99/22/276559922.db2.gz PDIPPHKMQNHWBH-XHDPSFHLSA-N 1 0 280.368 3.054 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313058539 287942955 /nfs/dbraw/zinc/94/29/55/287942955.db2.gz LJRUJLJHHFBQPP-HUUCEWRRSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000270631659 277262404 /nfs/dbraw/zinc/26/24/04/277262404.db2.gz HPWFNNMFMJAEKG-UKRRQHHQSA-N 1 0 292.379 3.278 20 5 CGBDRO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350357 277589565 /nfs/dbraw/zinc/58/95/65/277589565.db2.gz VGOJHTWOHDTROO-JSGCOSHPSA-N 1 0 280.368 3.307 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000449620634 278037651 /nfs/dbraw/zinc/03/76/51/278037651.db2.gz WIGOESJPYXXIRB-HNNXBMFYSA-N 1 0 292.379 3.233 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000432348139 278037752 /nfs/dbraw/zinc/03/77/52/278037752.db2.gz QMSSHFDGZIYRSB-DOMZBBRYSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H]([NH2+]CC1(O)CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000087088923 279463236 /nfs/dbraw/zinc/46/32/36/279463236.db2.gz AZVNEEQTSFYPIY-ZDUSSCGKSA-N 1 0 292.379 3.331 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287025373 279484643 /nfs/dbraw/zinc/48/46/43/279484643.db2.gz LKXSBJUYZRWILG-NWDGAFQWSA-N 1 0 280.393 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)cc1 ZINC000246206128 280364062 /nfs/dbraw/zinc/36/40/62/280364062.db2.gz XQFROQMSQXWZHZ-CABCVRRESA-N 1 0 292.404 3.455 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000531718137 288342824 /nfs/dbraw/zinc/34/28/24/288342824.db2.gz MRWIVJDNWHVWSY-GHJWDPDVSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000532204240 288355454 /nfs/dbraw/zinc/35/54/54/288355454.db2.gz VEQHGGHEDOHYDP-GXTWGEPZSA-N 1 0 278.352 3.123 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000553489328 289227091 /nfs/dbraw/zinc/22/70/91/289227091.db2.gz ZMKCZXZLEWCWIV-MNOVXSKESA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccc(O)c1 ZINC000154420901 321742166 /nfs/dbraw/zinc/74/21/66/321742166.db2.gz GCUNXAYSFNFWHA-LBPRGKRZSA-N 1 0 286.331 3.460 20 5 CGBDRO CCOc1cc(C[NH2+][C@@H]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000565666939 322086584 /nfs/dbraw/zinc/08/65/84/322086584.db2.gz UVAMHYQIEPPETN-CQSZACIVSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CO1 ZINC000566219957 322109968 /nfs/dbraw/zinc/10/99/68/322109968.db2.gz IEYVNAHIDMJLED-ZETOZRRWSA-N 1 0 290.363 3.084 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CCSCC1 ZINC000568414064 322208711 /nfs/dbraw/zinc/20/87/11/322208711.db2.gz ZJQOQTJKGUUQFC-AWEZNQCLSA-N 1 0 292.404 3.315 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571453733 322299285 /nfs/dbraw/zinc/29/92/85/322299285.db2.gz APFWCFVRWCRVER-KGLIPLIRSA-N 1 0 293.411 3.366 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@@H](C)C2CC2)ccc1[N+](=O)[O-] ZINC000571950333 322313406 /nfs/dbraw/zinc/31/34/06/322313406.db2.gz UWEDCTGLZXZKFH-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]([NH3+])[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000381529001 327561388 /nfs/dbraw/zinc/56/13/88/327561388.db2.gz ZZOFFSNKGDJLBN-RITPCOANSA-N 1 0 278.139 3.049 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1cccs1 ZINC000576837658 335254590 /nfs/dbraw/zinc/25/45/90/335254590.db2.gz KWFONRYYSQONTQ-CYBMUJFWSA-N 1 0 274.345 3.433 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000183038732 335857925 /nfs/dbraw/zinc/85/79/25/335857925.db2.gz XRYXKPDTPGPCNA-NEPJUHHUSA-N 1 0 296.367 3.006 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000380899284 336038817 /nfs/dbraw/zinc/03/88/17/336038817.db2.gz MXKBHSTZKMFKFD-KWCYVHTRSA-N 1 0 260.337 3.181 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCS2)c(Cl)c1 ZINC000149938914 527350552 /nfs/dbraw/zinc/35/05/52/527350552.db2.gz VJCBPUVLGMZZGD-NSHDSACASA-N 1 0 286.784 3.233 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000449760973 527744564 /nfs/dbraw/zinc/74/45/64/527744564.db2.gz SXDKTURDRMLIJY-HZPDHXFCSA-N 1 0 292.379 3.341 20 5 CGBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000356421783 528153121 /nfs/dbraw/zinc/15/31/21/528153121.db2.gz USLRKQPEINBTQG-GFCCVEGCSA-N 1 0 286.759 3.153 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000358426387 528538125 /nfs/dbraw/zinc/53/81/25/528538125.db2.gz LXPAUVNQYIBNRI-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO CC(C)[NH+](CCCNc1ncc([N+](=O)[O-])cc1F)C(C)C ZINC000413183071 528886352 /nfs/dbraw/zinc/88/63/52/528886352.db2.gz LKWPSWARUZUTGO-UHFFFAOYSA-N 1 0 298.362 3.050 20 5 CGBDRO CC(C)[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048962256 529001004 /nfs/dbraw/zinc/00/10/04/529001004.db2.gz AQOHZAUMOQTVOD-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000178165878 529155528 /nfs/dbraw/zinc/15/55/28/529155528.db2.gz YCQODMGHUYMTPU-CQSZACIVSA-N 1 0 280.368 3.044 20 5 CGBDRO CCSCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449306208 529178196 /nfs/dbraw/zinc/17/81/96/529178196.db2.gz KCBFFHTVGVCQHF-GFCCVEGCSA-N 1 0 282.409 3.259 20 5 CGBDRO CC[C@@H](N[C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263740 529206460 /nfs/dbraw/zinc/20/64/60/529206460.db2.gz OUWQXTUPCOKTSK-DZGCQCFKSA-N 1 0 279.384 3.009 20 5 CGBDRO CC[C@@H]([NH2+][C@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000161636740 529206843 /nfs/dbraw/zinc/20/68/43/529206843.db2.gz MQFSLDFGBGCKBY-HUUCEWRRSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000160087294 529344096 /nfs/dbraw/zinc/34/40/96/529344096.db2.gz RMHMTGNPPLNAQD-KGLIPLIRSA-N 1 0 293.411 3.284 20 5 CGBDRO COC1(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000483180574 536622145 /nfs/dbraw/zinc/62/21/45/536622145.db2.gz QLSVTZGLNILPDH-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000726605706 572589278 /nfs/dbraw/zinc/58/92/78/572589278.db2.gz GXJBRNDYQNDJHB-PZBABLGHSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000745170848 572803220 /nfs/dbraw/zinc/80/32/20/572803220.db2.gz UFWCBTTYAAKHIG-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO CC(C)CC[N@H+](Cn1nccc1[N+](=O)[O-])C1CCCC1 ZINC000746063776 572849814 /nfs/dbraw/zinc/84/98/14/572849814.db2.gz FJPGVHNGTIIZAS-UHFFFAOYSA-N 1 0 280.372 3.040 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCOC23CCCCC3)cs1 ZINC000933879556 618366292 /nfs/dbraw/zinc/36/62/92/618366292.db2.gz SAISUVOSZZAITG-GFCCVEGCSA-N 1 0 296.392 3.238 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-])C1(C)CC1 ZINC000177248261 618810719 /nfs/dbraw/zinc/81/07/19/618810719.db2.gz RYBQHGIJPXTZTA-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO C[N@H+](CC1CC1)Cn1c2cc([N+](=O)[O-])ccc2oc1=S ZINC000048961409 619210947 /nfs/dbraw/zinc/21/09/47/619210947.db2.gz FVWSDNSFTZMYFU-UHFFFAOYSA-N 1 0 293.348 3.171 20 5 CGBDRO Cc1c(CN[C@H]2C[C@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-] ZINC000261981957 619510658 /nfs/dbraw/zinc/51/06/58/619510658.db2.gz ALRLJUJERMLONJ-HOTGVXAUSA-N 1 0 297.358 3.138 20 5 CGBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@@H](C)C(C)C ZINC000067366744 619674014 /nfs/dbraw/zinc/67/40/14/619674014.db2.gz GAGPOSHMXLYMFS-LBPRGKRZSA-N 1 0 290.367 3.268 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000895561782 619850139 /nfs/dbraw/zinc/85/01/39/619850139.db2.gz UJKZWBYUPDCDED-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000897461126 620339913 /nfs/dbraw/zinc/33/99/13/620339913.db2.gz LMYDXIIZUWDCMY-MYZSUADSSA-N 1 0 274.364 3.477 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897464318 620340090 /nfs/dbraw/zinc/34/00/90/620340090.db2.gz LARHGFGQMHFESV-MELADBBJSA-N 1 0 292.379 3.246 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897469147 620341842 /nfs/dbraw/zinc/34/18/42/620341842.db2.gz FAXKQAHECXCMLM-NSHDSACASA-N 1 0 274.320 3.390 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000897800568 620434962 /nfs/dbraw/zinc/43/49/62/620434962.db2.gz RWUMJKCWPQOMLA-GFCCVEGCSA-N 1 0 280.393 3.359 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@@H]3CCC[C@H]23)c(F)c1 ZINC000897954614 620454869 /nfs/dbraw/zinc/45/48/69/620454869.db2.gz IDDKNTKZRSSOHJ-DUFXMDAXSA-N 1 0 264.300 3.012 20 5 CGBDRO C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927122814 620579945 /nfs/dbraw/zinc/57/99/45/620579945.db2.gz TVCDQDGBJGQGCU-NVBFEUDRSA-N 1 0 275.352 3.018 20 5 CGBDRO CCC[C@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901393759 620873001 /nfs/dbraw/zinc/87/30/01/620873001.db2.gz CFATWRNCZFRWAP-JTQLQIEISA-N 1 0 261.281 3.050 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1cc(C[NH+]2CCCCC2)on1 ZINC000901396086 620874282 /nfs/dbraw/zinc/87/42/82/620874282.db2.gz PVFVHGXKNWBAGM-UHFFFAOYSA-N 1 0 287.319 3.236 20 5 CGBDRO CNc1ccccc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000902634145 621390012 /nfs/dbraw/zinc/39/00/12/621390012.db2.gz ADZMVXKIMRMYKE-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903072609 621569548 /nfs/dbraw/zinc/56/95/48/621569548.db2.gz KMQXPGOCXNWYER-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H](C)SC)cc([N+](=O)[O-])c1 ZINC000903127290 621591236 /nfs/dbraw/zinc/59/12/36/621591236.db2.gz HVJIGHOCBNQDPD-NXEZZACHSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C2CC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903161969 621607624 /nfs/dbraw/zinc/60/76/24/621607624.db2.gz ZXSOFQIBXKQFNK-QMMMGPOBSA-N 1 0 286.278 3.052 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)C1(Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000903247150 621649526 /nfs/dbraw/zinc/64/95/26/621649526.db2.gz ZMSGMRXETYVXCY-QWRGUYRKSA-N 1 0 282.771 3.448 20 5 CGBDRO COC1([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000903247103 621649707 /nfs/dbraw/zinc/64/97/07/621649707.db2.gz YSIIKUGRMKMNAV-CHWSQXEVSA-N 1 0 292.379 3.246 20 5 CGBDRO Cc1cc(N2CCCC[C@@H]2C)ccc1NCC[N+](=O)[O-] ZINC000905331927 622062730 /nfs/dbraw/zinc/06/27/30/622062730.db2.gz YFFORFKBPRWSPG-ZDUSSCGKSA-N 1 0 277.368 3.062 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000311149975 622841332 /nfs/dbraw/zinc/84/13/32/622841332.db2.gz INYIXVUDZYOGRV-QPUJVOFHSA-N 1 0 286.784 3.232 20 5 CGBDRO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922538866 626011471 /nfs/dbraw/zinc/01/14/71/626011471.db2.gz YEDYSBVQHAEGGV-DVOMOZLQSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@]12C[C@H]1CCC2 ZINC000922964947 626111829 /nfs/dbraw/zinc/11/18/29/626111829.db2.gz OESYLZBIHVNQHB-DURLZJIISA-N 1 0 272.348 3.388 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000839658069 626770335 /nfs/dbraw/zinc/77/03/35/626770335.db2.gz AOBDYIDCPLYSLF-SNVBAGLBSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000839659209 626771826 /nfs/dbraw/zinc/77/18/26/626771826.db2.gz XRORXYGUXQAGKP-SNVBAGLBSA-N 1 0 293.323 3.123 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000839639048 626773780 /nfs/dbraw/zinc/77/37/80/626773780.db2.gz LITJIMBWSFDTSI-BMIGLBTASA-N 1 0 296.342 3.027 20 5 CGBDRO CCC[N@H+](Cn1nc(C)c2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000764969242 627234637 /nfs/dbraw/zinc/23/46/37/627234637.db2.gz HFIXDUAACRWCLD-UHFFFAOYSA-N 1 0 288.351 3.085 20 5 CGBDRO CC(C)OC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000769938189 627590918 /nfs/dbraw/zinc/59/09/18/627590918.db2.gz VACHFSGVEAUMPQ-UHFFFAOYSA-N 1 0 298.770 3.294 20 5 CGBDRO CC1([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000777707484 628294114 /nfs/dbraw/zinc/29/41/14/628294114.db2.gz IUKUGWMPHXWDJU-UHFFFAOYSA-N 1 0 289.379 3.096 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000783253933 628695533 /nfs/dbraw/zinc/69/55/33/628695533.db2.gz MISQTIWSPNCXBY-DOMZBBRYSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(C)Cc1ccc([C@H]([NH2+]CC[N+](=O)[O-])C(C)C)cc1 ZINC000791052444 629253065 /nfs/dbraw/zinc/25/30/65/629253065.db2.gz NZNLBVDWPVIOQO-MRXNPFEDSA-N 1 0 278.396 3.449 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865905 629388395 /nfs/dbraw/zinc/38/83/95/629388395.db2.gz CYOROTFKAOSBEH-QWRGUYRKSA-N 1 0 293.323 3.266 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1CCSC1 ZINC000865654895 630260287 /nfs/dbraw/zinc/26/02/87/630260287.db2.gz WXJITJLNQPQQBJ-HSBHDXMMSA-N 1 0 292.404 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1F ZINC000808778150 630677584 /nfs/dbraw/zinc/67/75/84/630677584.db2.gz NZDVRTLWTIHAOT-CYBMUJFWSA-N 1 0 278.327 3.356 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555568 631793608 /nfs/dbraw/zinc/79/36/08/631793608.db2.gz CFKLNJIXRBJJBD-MNOVXSKESA-N 1 0 289.335 3.052 20 5 CGBDRO C[C@H]([NH2+]CC1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552824 631794227 /nfs/dbraw/zinc/79/42/27/631794227.db2.gz LAUICUVXHIZADV-NSHDSACASA-N 1 0 277.368 3.408 20 5 CGBDRO CCOCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816639506 632028071 /nfs/dbraw/zinc/02/80/71/632028071.db2.gz UQPXPGWAPSFPTA-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000865747743 632876834 /nfs/dbraw/zinc/87/68/34/632876834.db2.gz WJCRNAWMZJIKKW-CQSZACIVSA-N 1 0 278.352 3.032 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cs1 ZINC000865857201 632921547 /nfs/dbraw/zinc/92/15/47/632921547.db2.gz NYHPAKSOCDNZRR-LBPRGKRZSA-N 1 0 296.392 3.238 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866248255 633044606 /nfs/dbraw/zinc/04/46/06/633044606.db2.gz CEGHXLBQOASZFZ-GFCCVEGCSA-N 1 0 298.358 3.071 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309354 633075792 /nfs/dbraw/zinc/07/57/92/633075792.db2.gz OINOOFCOTYYULO-ZJUUUORDSA-N 1 0 286.372 3.006 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])c1ccc[nH]1 ZINC000866310933 633076849 /nfs/dbraw/zinc/07/68/49/633076849.db2.gz HGRUVWZBAGVABP-WDEREUQCSA-N 1 0 291.326 3.344 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCS[C@@H]1C ZINC000866381852 633112624 /nfs/dbraw/zinc/11/26/24/633112624.db2.gz QYYZZHUPSPSEOW-BREBYQMCSA-N 1 0 298.383 3.149 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CC=CC1 ZINC000866395977 633120986 /nfs/dbraw/zinc/12/09/86/633120986.db2.gz JMWFKHBLCVNMGR-NSHDSACASA-N 1 0 278.327 3.221 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCCS1 ZINC000866481105 633153494 /nfs/dbraw/zinc/15/34/94/633153494.db2.gz OVQAXDXFWXRFFN-FZMZJTMJSA-N 1 0 292.404 3.457 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000866488804 633158762 /nfs/dbraw/zinc/15/87/62/633158762.db2.gz UYWNYBOEIBPAGF-GIPNMCIBSA-N 1 0 278.377 3.066 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CCCS1 ZINC000122058336 633304982 /nfs/dbraw/zinc/30/49/82/633304982.db2.gz FOOSJFOZQHAODN-NSHDSACASA-N 1 0 286.784 3.233 20 5 CGBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000827252008 633475463 /nfs/dbraw/zinc/47/54/63/633475463.db2.gz TWJIDKBLVDCSGD-CMPLNLGQSA-N 1 0 298.770 3.295 20 5 CGBDRO CCn1cc[nH+]c1NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000871864008 633901498 /nfs/dbraw/zinc/90/14/98/633901498.db2.gz NNQOFGUUJLQFNE-UHFFFAOYSA-N 1 0 274.324 3.040 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018817 633940172 /nfs/dbraw/zinc/94/01/72/633940172.db2.gz QDKQVEKJEHWGOU-DTWKUNHWSA-N 1 0 252.289 3.183 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872028241 633946730 /nfs/dbraw/zinc/94/67/30/633946730.db2.gz IINBFSBTUBOZBD-LLVKDONJSA-N 1 0 284.331 3.201 20 5 CGBDRO C[C@@H]([NH2+]CCc1cscn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043517 633967010 /nfs/dbraw/zinc/96/70/10/633967010.db2.gz IOSORPDQCINVSY-SECBINFHSA-N 1 0 295.339 3.084 20 5 CGBDRO CCOC[C@@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872066083 633988819 /nfs/dbraw/zinc/98/88/19/633988819.db2.gz JVTIODRXTLTJGV-DGCLKSJQSA-N 1 0 298.358 3.446 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084181 634008797 /nfs/dbraw/zinc/00/87/97/634008797.db2.gz QDTOMOLEAKBEDB-ZKYQVNSYSA-N 1 0 296.342 3.342 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872090740 634015583 /nfs/dbraw/zinc/01/55/83/634015583.db2.gz DDTHUCBFYNRESX-CABCVRRESA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCCCCCCC2)c1 ZINC000831937190 634015963 /nfs/dbraw/zinc/01/59/63/634015963.db2.gz NPWRPEVLOUTZBC-MRXNPFEDSA-N 1 0 292.379 3.284 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129831 634051202 /nfs/dbraw/zinc/05/12/02/634051202.db2.gz XJYPWFGVANELQT-JHJVBQTASA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CC1(F)F ZINC000873139481 634257407 /nfs/dbraw/zinc/25/74/07/634257407.db2.gz BSBAOQAGLIITTM-NSHDSACASA-N 1 0 284.306 3.347 20 5 CGBDRO CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C[C@@H]1CCOC1 ZINC000876595548 634864088 /nfs/dbraw/zinc/86/40/88/634864088.db2.gz HSRSYVOEVIZOOP-AWEZNQCLSA-N 1 0 292.379 3.070 20 5 CGBDRO C[C@@H](CCC(C)(C)C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877052497 634964765 /nfs/dbraw/zinc/96/47/65/634964765.db2.gz YDWDYEVIWQEGMU-HIFPTAJRSA-N 1 0 294.399 3.299 20 5 CGBDRO CCn1cc[nH+]c1NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840888052 635076681 /nfs/dbraw/zinc/07/66/81/635076681.db2.gz VZQHDUOXZOPLSF-UHFFFAOYSA-N 1 0 280.715 3.077 20 5 CGBDRO C[C@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000877827896 635230479 /nfs/dbraw/zinc/23/04/79/635230479.db2.gz ZGVZIGMPGMGVLO-GARJFASQSA-N 1 0 266.366 3.139 20 5 CGBDRO CCC[NH2+][C@@H](C)c1nc(-c2ccc([N+](=O)[O-])cc2C)no1 ZINC000843188134 635604322 /nfs/dbraw/zinc/60/43/22/635604322.db2.gz ZMMLXGYONBMDPV-JTQLQIEISA-N 1 0 290.323 3.014 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000879698112 635838275 /nfs/dbraw/zinc/83/82/75/635838275.db2.gz KHCCCDDPIBQDDC-UHFFFAOYSA-N 1 0 294.395 3.057 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880466760 636006696 /nfs/dbraw/zinc/00/66/96/636006696.db2.gz RCEAAKFMNCJNGO-BXUZGUMPSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@]23CCCO3)cc1[N+](=O)[O-] ZINC000880496978 636010071 /nfs/dbraw/zinc/01/00/71/636010071.db2.gz FTLRZCALGBYLCU-CVEARBPZSA-N 1 0 290.363 3.095 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCC[C@]23CCCO3)cccc1[N+](=O)[O-] ZINC000880511233 636012748 /nfs/dbraw/zinc/01/27/48/636012748.db2.gz KQSUZLOLLGWKAG-CVEARBPZSA-N 1 0 290.363 3.095 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccns1 ZINC000883247937 636617099 /nfs/dbraw/zinc/61/70/99/636617099.db2.gz BTLSGLGTGWZFAO-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000883351717 636693213 /nfs/dbraw/zinc/69/32/13/636693213.db2.gz LAYFCFBJRLYQRH-INWMFGNUSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@H](O)c2ccccc21 ZINC000850372942 637036040 /nfs/dbraw/zinc/03/60/40/637036040.db2.gz BLUFRXPQZKFYDQ-IRXDYDNUSA-N 1 0 298.342 3.171 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CCSC ZINC000850437271 637062950 /nfs/dbraw/zinc/06/29/50/637062950.db2.gz OHKWQDSAPVLDDR-WDEREUQCSA-N 1 0 298.408 3.396 20 5 CGBDRO C[N@H+](CCC1CC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000135256389 637101582 /nfs/dbraw/zinc/10/15/82/637101582.db2.gz RFYTWOGCOLUQPC-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO CCS[C@@H]1CCCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886006877 637356531 /nfs/dbraw/zinc/35/65/31/637356531.db2.gz YCBSYFHTFWBXMZ-CYBMUJFWSA-N 1 0 295.408 3.097 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568261 637584802 /nfs/dbraw/zinc/58/48/02/637584802.db2.gz DZFGSCBONWWISA-RWMBFGLXSA-N 1 0 292.404 3.259 20 5 CGBDRO CC[N@@H+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000853457662 637847629 /nfs/dbraw/zinc/84/76/29/637847629.db2.gz FFOZHTKJPOGHOK-JTQLQIEISA-N 1 0 299.321 3.063 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858443579 638721114 /nfs/dbraw/zinc/72/11/14/638721114.db2.gz LPUJDYPUIGRKLE-UZGDPCLZSA-N 1 0 289.379 3.264 20 5 CGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000926268841 638757382 /nfs/dbraw/zinc/75/73/82/638757382.db2.gz IUJVPPXKKGJBQC-ZBFHGGJFSA-N 1 0 294.395 3.323 20 5 CGBDRO COC[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000927094532 638841048 /nfs/dbraw/zinc/84/10/48/638841048.db2.gz NVSLVQIYGRMNBT-SWLSCSKDSA-N 1 0 292.379 3.090 20 5 CGBDRO Cc1cc(C)nc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c1 ZINC000930354327 638992728 /nfs/dbraw/zinc/99/27/28/638992728.db2.gz OQZGMGLBVMFOJD-UHFFFAOYSA-N 1 0 299.374 3.281 20 5 CGBDRO CC(C)(C)CC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040676039 639896616 /nfs/dbraw/zinc/89/66/16/639896616.db2.gz VBKLWJOIXVRQTC-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000080122448 640450292 /nfs/dbraw/zinc/45/02/92/640450292.db2.gz KFNTUNDHSUQLIZ-LLVKDONJSA-N 1 0 266.728 3.447 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000253069734 640870531 /nfs/dbraw/zinc/87/05/31/640870531.db2.gz LVZUVPVLASAYGZ-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1ccc(Nc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC001159640719 806139914 /nfs/dbraw/zinc/13/99/14/806139914.db2.gz ZDPABELZHRZMRG-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[NH2+]CCO2 ZINC001159797060 806176141 /nfs/dbraw/zinc/17/61/41/806176141.db2.gz RBAQSUDOLSFMFV-UHFFFAOYSA-N 1 0 299.330 3.129 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccncc2)CC1 ZINC001254538048 806446630 /nfs/dbraw/zinc/44/66/30/806446630.db2.gz NLVNVQKRNQTGIU-ZDUSSCGKSA-N 1 0 297.358 3.200 20 5 CGBDRO CCCCOCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540354 806446709 /nfs/dbraw/zinc/44/67/09/806446709.db2.gz RWQPFMXVZXGBAH-CQSZACIVSA-N 1 0 294.395 3.322 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001254551116 806448120 /nfs/dbraw/zinc/44/81/20/806448120.db2.gz YJTKJKLKYPVAHB-BPLDGKMQSA-N 1 0 274.364 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)CC12CC2 ZINC001254566173 806453242 /nfs/dbraw/zinc/45/32/42/806453242.db2.gz RJLFAXMMPGOYFA-OLZOCXBDSA-N 1 0 274.364 3.400 20 5 CGBDRO CC(C)C[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580751 806455487 /nfs/dbraw/zinc/45/54/87/806455487.db2.gz FMIVFRHKCNKVLW-BXUZGUMPSA-N 1 0 262.353 3.086 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccc(O)cc1 ZINC001254583823 806455686 /nfs/dbraw/zinc/45/56/86/806455686.db2.gz OEVCINIDCVDUHR-NHYWBVRUSA-N 1 0 298.342 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC(F)(F)CC1)C2 ZINC001254600935 806459230 /nfs/dbraw/zinc/45/92/30/806459230.db2.gz WXBXEZQGTVPYIH-CQSZACIVSA-N 1 0 296.317 3.183 20 5 CGBDRO C[N@H+](CC1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604973 806460453 /nfs/dbraw/zinc/46/04/53/806460453.db2.gz ZRDIUOCZKMRNJQ-MRXNPFEDSA-N 1 0 274.364 3.184 20 5 CGBDRO C[C@@H]1C[C@@H](CNc2ncnc3cc4ccccc4cc32)C[NH2+]1 ZINC001162552684 806618053 /nfs/dbraw/zinc/61/80/53/806618053.db2.gz OHAWXFYEKHLLSK-CHWSQXEVSA-N 1 0 292.386 3.193 20 5 CGBDRO C[C@H]1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000037562704 798868972 /nfs/dbraw/zinc/86/89/72/798868972.db2.gz FIUIBDNQNORRFI-ONGXEEELSA-N 1 0 254.355 3.325 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c1 ZINC000403629504 799568839 /nfs/dbraw/zinc/56/88/39/799568839.db2.gz KPOYIOXXPFMVLD-QXMXGUDHSA-N 1 0 278.377 3.111 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)O1 ZINC000686506988 799734474 /nfs/dbraw/zinc/73/44/74/799734474.db2.gz GYRKQHIPGBUMHO-FOGDFJRCSA-N 1 0 298.770 3.151 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000693032985 799806636 /nfs/dbraw/zinc/80/66/36/799806636.db2.gz XSJIEKUZGKNHFL-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1OC[C@H]1CCCC[NH2+]C1 ZINC000697089965 799842997 /nfs/dbraw/zinc/84/29/97/799842997.db2.gz ZVZWWCFDUCVDRR-JTQLQIEISA-N 1 0 284.743 3.017 20 5 CGBDRO Cc1c(C[NH2+][C@@]23C[C@@H]2CCCC3)cccc1[N+](=O)[O-] ZINC000710489514 800034450 /nfs/dbraw/zinc/03/44/50/800034450.db2.gz YTIWHEUFVWEYNN-ZFWWWQNUSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCS2)c(F)c1 ZINC000715794448 800147430 /nfs/dbraw/zinc/14/74/30/800147430.db2.gz XGIMHXHGCWFMTM-GFCCVEGCSA-N 1 0 284.356 3.109 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CC3)CCC2)cs1 ZINC000717836812 800206076 /nfs/dbraw/zinc/20/60/76/800206076.db2.gz KRAIGOFRXKOUSE-UHFFFAOYSA-N 1 0 252.339 3.079 20 5 CGBDRO Cc1nc(C[NH2+]CCc2ccccc2[N+](=O)[O-])sc1C ZINC000719547957 800242136 /nfs/dbraw/zinc/24/21/36/800242136.db2.gz NZJDXWCHWWOOJD-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC(F)(F)C1 ZINC000720936035 800273638 /nfs/dbraw/zinc/27/36/38/800273638.db2.gz DNXDFMZBEYHBJV-UHFFFAOYSA-N 1 0 274.242 3.011 20 5 CGBDRO Cc1cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001116032786 802293908 /nfs/dbraw/zinc/29/39/08/802293908.db2.gz QFXHSKVWODBPHN-ZFWWWQNUSA-N 1 0 277.368 3.188 20 5 CGBDRO C[NH2+]Cc1cccc(Nc2cc(Cl)cc([N+](=O)[O-])n2)c1 ZINC001167033052 807132201 /nfs/dbraw/zinc/13/22/01/807132201.db2.gz FYFWVIVABONROR-UHFFFAOYSA-N 1 0 292.726 3.106 20 5 CGBDRO CCC[C@H](Cc1ccccc1)[N@H+](CCC)CC[N+](=O)[O-] ZINC001167306555 807179748 /nfs/dbraw/zinc/17/97/48/807179748.db2.gz GYMQPVZJIPYRMD-MRXNPFEDSA-N 1 0 278.396 3.387 20 5 CGBDRO C[C@H]1C[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])CC[C@@H]1C ZINC001168202443 807348777 /nfs/dbraw/zinc/34/87/77/807348777.db2.gz USCWYSWAZXYDDZ-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1C[C@H](F)C1 ZINC001168237721 807361485 /nfs/dbraw/zinc/36/14/85/807361485.db2.gz MCJRQYOQXQNMJH-CTYIDZIISA-N 1 0 265.396 3.443 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC1C[NH+](C(C)C)C1 ZINC001168315812 807381209 /nfs/dbraw/zinc/38/12/09/807381209.db2.gz XRIJLBMYNPWHBD-UHFFFAOYSA-N 1 0 277.368 3.025 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001168960177 807541873 /nfs/dbraw/zinc/54/18/73/807541873.db2.gz DLXLTPOAFYJIAQ-DGCLKSJQSA-N 1 0 284.306 3.159 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001168967343 807542455 /nfs/dbraw/zinc/54/24/55/807542455.db2.gz OWLCFCMBTQEKOW-HBIQZDMRSA-N 1 0 294.317 3.143 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001168967346 807542548 /nfs/dbraw/zinc/54/25/48/807542548.db2.gz OWLCFCMBTQEKOW-YYJSSNLHSA-N 1 0 294.317 3.143 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168965568 807543078 /nfs/dbraw/zinc/54/30/78/807543078.db2.gz ARSFOMXZDPRZRQ-CQDKDKBSSA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCC2)C1 ZINC001168968428 807544047 /nfs/dbraw/zinc/54/40/47/807544047.db2.gz YYHBHHBBQADZIX-ZBFHGGJFSA-N 1 0 288.391 3.491 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001168976313 807545159 /nfs/dbraw/zinc/54/51/59/807545159.db2.gz CPTUDKWCADMMDM-GJZGRUSLSA-N 1 0 268.401 3.382 20 5 CGBDRO Cc1ccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168979484 807545899 /nfs/dbraw/zinc/54/58/99/807545899.db2.gz YMZNIAKQRQWSSD-ZFWWWQNUSA-N 1 0 274.364 3.019 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(C)(C)C1 ZINC001168978413 807545946 /nfs/dbraw/zinc/54/59/46/807545946.db2.gz RXKAJUUXGWDEES-MQYQWHSLSA-N 1 0 268.401 3.236 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168987538 807546847 /nfs/dbraw/zinc/54/68/47/807546847.db2.gz JLYJDVBUYQBLRZ-KCPJHIHWSA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)C1 ZINC001168986749 807547133 /nfs/dbraw/zinc/54/71/33/807547133.db2.gz YYQLRPCGVXNPHF-ZETOZRRWSA-N 1 0 294.782 3.362 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc3sccc32)C1 ZINC001168987836 807547761 /nfs/dbraw/zinc/54/77/61/807547761.db2.gz KRUKYKALKKSNBR-YPMHNXCESA-N 1 0 290.388 3.436 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001168988286 807547914 /nfs/dbraw/zinc/54/79/14/807547914.db2.gz QJZVGKXYMIIRHN-AXFHLTTASA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc3sccc32)C1 ZINC001168987835 807548235 /nfs/dbraw/zinc/54/82/35/807548235.db2.gz KRUKYKALKKSNBR-WCQYABFASA-N 1 0 290.388 3.436 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)C1 ZINC001169007643 807551162 /nfs/dbraw/zinc/55/11/62/807551162.db2.gz OWLCFCMBTQEKOW-BJDJZHNGSA-N 1 0 294.317 3.143 20 5 CGBDRO CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021864 807554349 /nfs/dbraw/zinc/55/43/49/807554349.db2.gz APBSEVUOLXUZJL-HOTGVXAUSA-N 1 0 276.380 3.344 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035811 807555348 /nfs/dbraw/zinc/55/53/48/807555348.db2.gz CKOCEYLEQIHKCX-AAEUAGOBSA-N 1 0 294.782 3.144 20 5 CGBDRO CC[N@H+](Cc1cccs1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039798 807557310 /nfs/dbraw/zinc/55/73/10/807557310.db2.gz UBIRATXVKBRBBY-RYUDHWBXSA-N 1 0 268.382 3.015 20 5 CGBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001261639641 807771354 /nfs/dbraw/zinc/77/13/54/807771354.db2.gz JWAFLXDRWXEHEB-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170298104 807820046 /nfs/dbraw/zinc/82/00/46/807820046.db2.gz FMHYSBKHUMNIDK-SLEUVZQESA-N 1 0 292.379 3.313 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170298759 807820317 /nfs/dbraw/zinc/82/03/17/807820317.db2.gz NTGUIVNUJRLLAR-UHTWSYAYSA-N 1 0 296.342 3.015 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001170329812 807826170 /nfs/dbraw/zinc/82/61/70/807826170.db2.gz VBMBCFSJFFPVCF-GFCCVEGCSA-N 1 0 278.352 3.020 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH+]2C3CCC2CC3)c([N+](=O)[O-])c1 ZINC001170346597 807828286 /nfs/dbraw/zinc/82/82/86/807828286.db2.gz ORNIDIQWAJSHOR-LMWSTFAQSA-N 1 0 290.363 3.161 20 5 CGBDRO COc1ccc(C[C@H](C)[N@H+](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC001170341521 807828438 /nfs/dbraw/zinc/82/84/38/807828438.db2.gz JTUKXIYLXVIKDW-NSHDSACASA-N 1 0 280.368 3.265 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)CC2 ZINC001172897135 808474880 /nfs/dbraw/zinc/47/48/80/808474880.db2.gz XMLSZONIQDRMKW-RBSFLKMASA-N 1 0 292.354 3.322 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]1CF)CC2 ZINC001172913800 808477727 /nfs/dbraw/zinc/47/77/27/808477727.db2.gz VDFMTIADPUVOGI-GDBMZVCRSA-N 1 0 292.354 3.276 20 5 CGBDRO CC[N@H+](C(C)C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181253 808532962 /nfs/dbraw/zinc/53/29/62/808532962.db2.gz CIXGOMMMTDJHQU-NSHDSACASA-N 1 0 298.358 3.404 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(F)(F)C1 ZINC001173212038 808537520 /nfs/dbraw/zinc/53/75/20/808537520.db2.gz WJPNLJDTZIBAGP-SNVBAGLBSA-N 1 0 284.306 3.161 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCCCC1 ZINC001173213165 808538569 /nfs/dbraw/zinc/53/85/69/808538569.db2.gz FARGLJPWWDTSAO-GFCCVEGCSA-N 1 0 262.353 3.448 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222771 808540264 /nfs/dbraw/zinc/54/02/64/808540264.db2.gz VMLAFGQCNNBQSI-VXGBXAGGSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(F)CCC1 ZINC001173223671 808541970 /nfs/dbraw/zinc/54/19/70/808541970.db2.gz KSRBVKLPDQVKDO-NSHDSACASA-N 1 0 266.316 3.008 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2CCC1CC2 ZINC001173235715 808544746 /nfs/dbraw/zinc/54/47/46/808544746.db2.gz YUXADZQYNPNIRF-GRTSSRMGSA-N 1 0 274.364 3.400 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC001175735808 809523436 /nfs/dbraw/zinc/52/34/36/809523436.db2.gz QCODYPLOOSCAGB-UHFFFAOYSA-N 1 0 299.265 3.058 20 5 CGBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1cc2ccccc2o1 ZINC001190520620 810632872 /nfs/dbraw/zinc/63/28/72/810632872.db2.gz VCHWDXLHGCPLNN-LBPRGKRZSA-N 1 0 276.336 3.483 20 5 CGBDRO C[NH+](C)Cc1cccc(Nc2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001201221823 811799542 /nfs/dbraw/zinc/79/95/42/811799542.db2.gz IIGJHAIKXKKBJV-UHFFFAOYSA-N 1 0 287.319 3.106 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001202428337 812091057 /nfs/dbraw/zinc/09/10/57/812091057.db2.gz WYVKZDDKCIAWRF-KBPBESRZSA-N 1 0 262.353 3.285 20 5 CGBDRO Cn1cnc2cccc(Nc3cccc([N+](=O)[O-])c3)c21 ZINC001204475306 812651300 /nfs/dbraw/zinc/65/13/00/812651300.db2.gz CIIGXKRIXLBKHN-UHFFFAOYSA-N 1 0 268.276 3.225 20 5 CGBDRO CC(C)(C)c1ccc(OC2CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217964450 816019531 /nfs/dbraw/zinc/01/95/31/816019531.db2.gz YYPVPPFUDICBAX-UHFFFAOYSA-N 1 0 278.352 3.023 20 5 CGBDRO Cc1cc(O[C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])cc1Cl ZINC001217977068 816027328 /nfs/dbraw/zinc/02/73/28/816027328.db2.gz ZUSZCWPKSYEDCC-JTQLQIEISA-N 1 0 284.743 3.078 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001217984805 816032064 /nfs/dbraw/zinc/03/20/64/816032064.db2.gz APAVNGNXEIYUTN-RNCFNFMXSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001217989559 816037370 /nfs/dbraw/zinc/03/73/70/816037370.db2.gz MWLCZFKRBVMLFY-NOZJJQNGSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001218028603 816063941 /nfs/dbraw/zinc/06/39/41/816063941.db2.gz HCKSGZSHGIVIES-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]1 ZINC001218045923 816072133 /nfs/dbraw/zinc/07/21/33/816072133.db2.gz RBKHSFIGDLOTKL-PXAZEXFGSA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC23CC[NH2+]CC3)c(Cl)c1 ZINC001218081235 816088146 /nfs/dbraw/zinc/08/81/46/816088146.db2.gz SDPODVDZCUOMLC-CYBMUJFWSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc([N+](=O)[O-])c1C ZINC001218089046 816091303 /nfs/dbraw/zinc/09/13/03/816091303.db2.gz CWPKHDIKYTUXQN-HZPDHXFCSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@H](Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001218193079 816122545 /nfs/dbraw/zinc/12/25/45/816122545.db2.gz GXYIQJJIPOBJPO-LBPRGKRZSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H](Oc1nccc2c3ccccc3ccc21)C1C[NH2+]C1 ZINC001218198538 816124023 /nfs/dbraw/zinc/12/40/23/816124023.db2.gz MPKBEGABAZLBMX-GFCCVEGCSA-N 1 0 278.355 3.375 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@H]1CCC[NH2+]C1 ZINC001218284724 816152851 /nfs/dbraw/zinc/15/28/51/816152851.db2.gz ANJYTTWRFMNSGC-QMMMGPOBSA-N 1 0 291.134 3.032 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC001218308196 816159378 /nfs/dbraw/zinc/15/93/78/816159378.db2.gz FOKKUWJDWBBKCK-NSHDSACASA-N 1 0 296.754 3.302 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])c1C ZINC001218310408 816160417 /nfs/dbraw/zinc/16/04/17/816160417.db2.gz VDTVYWLCPGXXER-ZDUSSCGKSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308904 816160530 /nfs/dbraw/zinc/16/05/30/816160530.db2.gz KDDSLUZYPQIELW-CQSZACIVSA-N 1 0 290.363 3.265 20 5 CGBDRO C[C@@H](Oc1cccc(C[NH3+])c1)c1cccc([N+](=O)[O-])c1 ZINC001218344233 816172859 /nfs/dbraw/zinc/17/28/59/816172859.db2.gz STQVAOGCOINZBO-LLVKDONJSA-N 1 0 272.304 3.194 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001218381621 816183759 /nfs/dbraw/zinc/18/37/59/816183759.db2.gz FENITFXDTQOWSB-ZBEGNZNMSA-N 1 0 284.315 3.001 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489278 816243764 /nfs/dbraw/zinc/24/37/64/816243764.db2.gz NJKAKEUVBCHKCP-KRWDZBQOSA-N 1 0 298.342 3.435 20 5 CGBDRO [NH3+]CCCCNC(=O)c1c2ccccc2cc2ccccc21 ZINC001221347276 816311078 /nfs/dbraw/zinc/31/10/78/816311078.db2.gz PFGFUHVWFSQUFM-UHFFFAOYSA-N 1 0 292.382 3.462 20 5 CGBDRO Cc1cccc(COC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001223661116 816664330 /nfs/dbraw/zinc/66/43/30/816664330.db2.gz MCKASSMIFDRKKX-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1cccc2c1CCCC2 ZINC001223785467 816683061 /nfs/dbraw/zinc/68/30/61/816683061.db2.gz ITYUCLHVQSFUEP-CQSZACIVSA-N 1 0 262.417 3.177 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](O[C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224025476 816723322 /nfs/dbraw/zinc/72/33/22/816723322.db2.gz MPSRCTMIOSSSHV-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO CCOC(=O)CCCCCCCO[C@@H](C)C[N+](C)(C)C ZINC001224372718 816788674 /nfs/dbraw/zinc/78/86/74/816788674.db2.gz SPXIRXUJEYYLQK-HNNXBMFYSA-N 1 0 288.452 3.001 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC001224624381 816836131 /nfs/dbraw/zinc/83/61/31/816836131.db2.gz VWCSHMRMZDLHHC-ARFHVFGLSA-N 1 0 254.438 3.458 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(C(C)(C)C)c1 ZINC001225242109 816976502 /nfs/dbraw/zinc/97/65/02/816976502.db2.gz INKKBYCICIVPLA-ZDUSSCGKSA-N 1 0 250.406 3.458 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(OC2CCC([NH+](C)C)CC2)c1 ZINC001225682690 817140841 /nfs/dbraw/zinc/14/08/41/817140841.db2.gz LZQQFJVXVSLLDF-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Br)cc1F ZINC001225691208 817143367 /nfs/dbraw/zinc/14/33/67/817143367.db2.gz OQCOGEHGPDVVIH-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO Cc1ccc(Br)cc1O[C@H](C)C[N+](C)(C)C ZINC001225743240 817163924 /nfs/dbraw/zinc/16/39/24/817163924.db2.gz LDGNIPVVIPSYBH-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001226809653 817472673 /nfs/dbraw/zinc/47/26/73/817472673.db2.gz GAZJCDSYQWLHCU-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1ccc2cc(O[C@@H](C)C[N+](C)(C)C)ccc2n1 ZINC001227277936 817616555 /nfs/dbraw/zinc/61/65/55/817616555.db2.gz ZASGFYZEHFAGLZ-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO CCCCOc1ccc(O[C@H](C)C[N+](C)(C)C)cc1 ZINC001227579671 817675336 /nfs/dbraw/zinc/67/53/36/817675336.db2.gz RDNKHXNSXPQDEQ-CQSZACIVSA-N 1 0 266.405 3.339 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)cc2ccccc21 ZINC001228264154 817855459 /nfs/dbraw/zinc/85/54/59/817855459.db2.gz VFTLJCGJNFNPOJ-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO CC1C[NH+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232219483 818282901 /nfs/dbraw/zinc/28/29/01/818282901.db2.gz USZPBRDOIMNLPG-UHFFFAOYSA-N 1 0 263.344 3.235 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C/C=C/C1CC1 ZINC001346506322 936851344 /nfs/dbraw/zinc/85/13/44/936851344.db2.gz QVUZGKWRUXLXDK-BAABZTOOSA-N 1 0 258.321 3.138 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CC2(CC2(F)F)C1 ZINC001350159715 936981500 /nfs/dbraw/zinc/98/15/00/936981500.db2.gz MATDOOGLHMDRIK-PEUVISTOSA-N 1 0 294.301 3.360 20 5 CGBDRO CC(C)(C)CC[C@H]([NH3+])CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001352788032 937049355 /nfs/dbraw/zinc/04/93/55/937049355.db2.gz LSWAYSXCZKMPGB-AWEZNQCLSA-N 1 0 291.395 3.064 20 5 CGBDRO CC[C@H](C)[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])OC ZINC001308588082 928533787 /nfs/dbraw/zinc/53/37/87/928533787.db2.gz ZSCHPNHUSJCDTI-SWLSCSKDSA-N 1 0 280.368 3.088 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001458492913 937465650 /nfs/dbraw/zinc/46/56/50/937465650.db2.gz ZLHBBTMYTXJEMV-LSDHHAIUSA-N 1 0 289.379 3.188 20 5 CGBDRO Cc1cccc([C@@H]2CCCCC[N@@H+]2CC[N+](=O)[O-])c1 ZINC001459534918 937491184 /nfs/dbraw/zinc/49/11/84/937491184.db2.gz BYRFPRHDROIIED-HNNXBMFYSA-N 1 0 262.353 3.189 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)cc2scnc21 ZINC001228944956 932057242 /nfs/dbraw/zinc/05/72/42/932057242.db2.gz QUOSEVFLVVRKST-NSHDSACASA-N 1 0 265.402 3.078 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001230723317 932614558 /nfs/dbraw/zinc/61/45/58/932614558.db2.gz HZHRMUSNELLVQJ-ZDUSSCGKSA-N 1 0 278.352 3.073 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC001462286250 937629652 /nfs/dbraw/zinc/62/96/52/937629652.db2.gz WLGFYURGMNSPMR-WFASDCNBSA-N 1 0 294.395 3.481 20 5 CGBDRO Cc1ccc(N2CC[NH2+][C@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307214748 932930962 /nfs/dbraw/zinc/93/09/62/932930962.db2.gz RVDGOLXPRCWMDT-HNNXBMFYSA-N 1 0 297.358 3.054 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415063 932949183 /nfs/dbraw/zinc/94/91/83/932949183.db2.gz LSLOVLYVCGOKHM-KGLIPLIRSA-N 1 0 291.395 3.151 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307693401 932988000 /nfs/dbraw/zinc/98/80/00/932988000.db2.gz QLBJQAWZKSVEHE-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CC1(C)[C@@H](c2ccccc2Cl)CC[N@@H+]1CC[N+](=O)[O-] ZINC001308037018 933038656 /nfs/dbraw/zinc/03/86/56/933038656.db2.gz XOPAEDKJRUXHNZ-GFCCVEGCSA-N 1 0 282.771 3.185 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1CCC1 ZINC001462638686 937655861 /nfs/dbraw/zinc/65/58/61/937655861.db2.gz ZASFKYPQESLKOX-UHFFFAOYSA-N 1 0 262.353 3.444 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC(C)(C)[C@H](C)O)cc1[N+](=O)[O-] ZINC001308541087 933128372 /nfs/dbraw/zinc/12/83/72/933128372.db2.gz FZLDUZZENVXFOQ-LBPRGKRZSA-N 1 0 294.395 3.215 20 5 CGBDRO Cc1ccc(NCC(C)(C)C[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001472773836 937783400 /nfs/dbraw/zinc/78/34/00/937783400.db2.gz KTTSBPYLMRFANU-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001473382102 937803777 /nfs/dbraw/zinc/80/37/77/937803777.db2.gz UFUIMYZELPFMQZ-DGCLKSJQSA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001473402600 937805090 /nfs/dbraw/zinc/80/50/90/937805090.db2.gz LMBLDNKRLOCEAR-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1ccccc1NC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC001326905016 935014498 /nfs/dbraw/zinc/01/44/98/935014498.db2.gz GUNLMQRTOZTCCZ-UHFFFAOYSA-N 1 0 298.346 3.348 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001327998452 935107777 /nfs/dbraw/zinc/10/77/77/935107777.db2.gz JLVPTNDIAZAKPF-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1C ZINC001335519533 936150888 /nfs/dbraw/zinc/15/08/88/936150888.db2.gz FQZWPKAQTYLJMS-GIPNMCIBSA-N 1 0 266.316 3.053 20 5 CGBDRO Cc1c(C[NH2+]C2([C@H]3CCCO3)CCC2)cccc1[N+](=O)[O-] ZINC001560227276 938248105 /nfs/dbraw/zinc/24/81/05/938248105.db2.gz KSLYZCFMUFYRBW-OAHLLOKOSA-N 1 0 290.363 3.095 20 5 CGBDRO CC[C@@H](C)[C@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696875 938270625 /nfs/dbraw/zinc/27/06/25/938270625.db2.gz GAGXZIOVBSSWJL-WBMJQRKESA-N 1 0 292.379 3.014 20 5 CGBDRO Cc1cc(C[NH3+])cc(NCc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC001579596597 962640642 /nfs/dbraw/zinc/64/06/42/962640642.db2.gz ZKKGBKYMNUIADL-UHFFFAOYSA-N 1 0 285.347 3.282 20 5 CGBDRO [NH3+]C1(CNC(=O)c2c3ccccc3cc3ccccc32)CC1 ZINC001580150290 962694272 /nfs/dbraw/zinc/69/42/72/962694272.db2.gz JCOUBEYIDXYHIL-UHFFFAOYSA-N 1 0 290.366 3.214 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000350740990 219056429 /nfs/dbraw/zinc/05/64/29/219056429.db2.gz BTMDNYWEFABAFC-JTQLQIEISA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000591255922 346912468 /nfs/dbraw/zinc/91/24/68/346912468.db2.gz HHUUZIKXONMRGK-ATZCPNFKSA-N 1 0 270.279 3.289 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CCOCC1)CCCC2 ZINC000591347894 346916975 /nfs/dbraw/zinc/91/69/75/346916975.db2.gz PPNHGYGKDJKUAL-INIZCTEOSA-N 1 0 290.363 3.131 20 5 CGBDRO CC[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423535818 529654081 /nfs/dbraw/zinc/65/40/81/529654081.db2.gz YMXGPJFVMISOTH-HOTGVXAUSA-N 1 0 291.395 3.153 20 5 CGBDRO CCC[C@H](NC[C@H]1CCCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000591578102 346930244 /nfs/dbraw/zinc/93/02/44/346930244.db2.gz YYRKGQBVSISUNS-ZBFHGGJFSA-N 1 0 291.395 3.168 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCSC ZINC000592201390 346972349 /nfs/dbraw/zinc/97/23/49/346972349.db2.gz SGBWUJJNNQKGFJ-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000592374961 346980460 /nfs/dbraw/zinc/98/04/60/346980460.db2.gz NKHOUXMWNXIUCU-XBXGTLAGSA-N 1 0 278.352 3.031 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000592397498 346983843 /nfs/dbraw/zinc/98/38/43/346983843.db2.gz MJZYMPJOMKGJDE-FPMFFAJLSA-N 1 0 294.395 3.351 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164639 282962114 /nfs/dbraw/zinc/96/21/14/282962114.db2.gz ZYMNQOYAWRGCMR-UKRRQHHQSA-N 1 0 294.395 3.321 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000128231520 187358906 /nfs/dbraw/zinc/35/89/06/187358906.db2.gz RNSBNWFJAGIUHS-HUUCEWRRSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000593183521 347048794 /nfs/dbraw/zinc/04/87/94/347048794.db2.gz ZZOQOAXEARACMC-NWDGAFQWSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593321528 347063245 /nfs/dbraw/zinc/06/32/45/347063245.db2.gz YOPIRMXDIIZIOA-DOMZBBRYSA-N 1 0 297.358 3.282 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672590 344965170 /nfs/dbraw/zinc/96/51/70/344965170.db2.gz PGPOFPIAVZVFAK-GDBMZVCRSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000036971405 344946451 /nfs/dbraw/zinc/94/64/51/344946451.db2.gz XUCSBEHXMSYXOF-JTQLQIEISA-N 1 0 297.786 3.390 20 5 CGBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000049155645 345072103 /nfs/dbraw/zinc/07/21/03/345072103.db2.gz HUVYYDLCJUTUKA-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO CC(C)C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174195 345130269 /nfs/dbraw/zinc/13/02/69/345130269.db2.gz JCTKEIXXEGXGLN-UHFFFAOYSA-N 1 0 254.355 3.277 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000063618931 345250629 /nfs/dbraw/zinc/25/06/29/345250629.db2.gz CZDRRCPGYBMPHJ-ZDUSSCGKSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H](C)C(C)C ZINC000065299331 345271308 /nfs/dbraw/zinc/27/13/08/345271308.db2.gz LALFKGZVHBGLIO-CYBMUJFWSA-N 1 0 280.368 3.340 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065534217 345274053 /nfs/dbraw/zinc/27/40/53/345274053.db2.gz BZQHAMQNAHLCAU-LBPRGKRZSA-N 1 0 266.341 3.094 20 5 CGBDRO CC(C)C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533489 345274269 /nfs/dbraw/zinc/27/42/69/345274269.db2.gz YAQNDSSGLWNDBQ-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO CN1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)Cc2ccccc21 ZINC000069087836 345372980 /nfs/dbraw/zinc/37/29/80/345372980.db2.gz BRAMKBQFCUIULS-UHFFFAOYSA-N 1 0 297.358 3.047 20 5 CGBDRO CC1CCC([N@H+](C)CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000071950420 345405775 /nfs/dbraw/zinc/40/57/75/345405775.db2.gz ZHTKECLWNRJVLX-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000087045134 345752598 /nfs/dbraw/zinc/75/25/98/345752598.db2.gz ZLLGJCXDPXTCNF-MFOWVQHXSA-N 1 0 292.379 3.187 20 5 CGBDRO CCOC[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000081520659 345711442 /nfs/dbraw/zinc/71/14/42/345711442.db2.gz VCEKVKCCEQCJAM-QWHCGFSZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@@H](Nc1ccc2ncccc2c1[N+](=O)[O-])c1ncc[nH]1 ZINC000139880901 346102176 /nfs/dbraw/zinc/10/21/76/346102176.db2.gz IPNMERUNQIZOIH-SECBINFHSA-N 1 0 283.291 3.039 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2ccoc2)cccc1[N+](=O)[O-] ZINC000230647999 346321594 /nfs/dbraw/zinc/32/15/94/346321594.db2.gz BOOJCYZCDGQXQO-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000593595981 347093373 /nfs/dbraw/zinc/09/33/73/347093373.db2.gz MNYPCXBQNCUUMB-CQSZACIVSA-N 1 0 294.395 3.178 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2cnccc2c1 ZINC000318514663 346486768 /nfs/dbraw/zinc/48/67/68/346486768.db2.gz HKDAAYLRUUOARZ-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO Cc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000593687562 347104019 /nfs/dbraw/zinc/10/40/19/347104019.db2.gz IPQVYUAQZILEQZ-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2Cc3ccccc3C2)cc1 ZINC000589504952 346799151 /nfs/dbraw/zinc/79/91/51/346799151.db2.gz JAWCLDLOOUWTTN-UHFFFAOYSA-N 1 0 296.370 3.142 20 5 CGBDRO COc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594490666 347177028 /nfs/dbraw/zinc/17/70/28/347177028.db2.gz PDGQZPITXMBPJB-MRXNPFEDSA-N 1 0 298.342 3.381 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991131 347250091 /nfs/dbraw/zinc/25/00/91/347250091.db2.gz DSJHJKMSVZXFIX-GFCCVEGCSA-N 1 0 284.306 3.284 20 5 CGBDRO CC([NH2+]Cc1csc([N+](=O)[O-])c1)(C1CC1)C1CC1 ZINC000594992952 347251140 /nfs/dbraw/zinc/25/11/40/347251140.db2.gz MDPQZZUPLKSUSS-UHFFFAOYSA-N 1 0 266.366 3.325 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725816 347214293 /nfs/dbraw/zinc/21/42/93/347214293.db2.gz XTMBMBALHMSCFJ-WFASDCNBSA-N 1 0 291.395 3.118 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000594995579 347252245 /nfs/dbraw/zinc/25/22/45/347252245.db2.gz SGOVRKXBVMLZGN-INIZCTEOSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccccn1 ZINC000594953879 347239049 /nfs/dbraw/zinc/23/90/49/347239049.db2.gz KBNGLVDNAXPWIF-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000594968692 347245722 /nfs/dbraw/zinc/24/57/22/347245722.db2.gz HQBMKTICQDRSLR-HDJSIYSDSA-N 1 0 292.379 3.375 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000594974699 347246217 /nfs/dbraw/zinc/24/62/17/347246217.db2.gz FZCPTRULDKFDKM-DYEKYZERSA-N 1 0 260.337 3.121 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109090 347284993 /nfs/dbraw/zinc/28/49/93/347284993.db2.gz SUENRGSTYQBQFM-ZFWWWQNUSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109118 347285058 /nfs/dbraw/zinc/28/50/58/347285058.db2.gz UIXMMCSKSDGOQA-DGCLKSJQSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293691 347287729 /nfs/dbraw/zinc/28/77/29/347287729.db2.gz DKANVVDELGXCLI-CYBMUJFWSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1[N+](=O)[O-] ZINC000595425377 347301513 /nfs/dbraw/zinc/30/15/13/347301513.db2.gz QVVIWRAOGHAEAA-WCFLWFBJSA-N 1 0 295.383 3.442 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595373530 347296911 /nfs/dbraw/zinc/29/69/11/347296911.db2.gz LJDVMDOGARCHST-SNVBAGLBSA-N 1 0 286.372 3.307 20 5 CGBDRO CCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595007708 347255115 /nfs/dbraw/zinc/25/51/15/347255115.db2.gz RTPQCQXETQTRTL-LLVKDONJSA-N 1 0 266.341 3.444 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595015974 347258296 /nfs/dbraw/zinc/25/82/96/347258296.db2.gz WSLRTYFJYMUAOD-SECBINFHSA-N 1 0 272.295 3.364 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCCSCC2)cccc1[N+](=O)[O-] ZINC000595040928 347266401 /nfs/dbraw/zinc/26/64/01/347266401.db2.gz NLZUYQGDMMUPBR-ZDUSSCGKSA-N 1 0 280.393 3.279 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595054155 347270764 /nfs/dbraw/zinc/27/07/64/347270764.db2.gz YCMLLGRYZWZNKE-HKCMKHECSA-N 1 0 290.363 3.443 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595069956 347276637 /nfs/dbraw/zinc/27/66/37/347276637.db2.gz UBEINPLCOOTONY-UBHSHLNASA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595073559 347277364 /nfs/dbraw/zinc/27/73/64/347277364.db2.gz NGKDLPUHMVDLLQ-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)(C)OCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595076828 347278229 /nfs/dbraw/zinc/27/82/29/347278229.db2.gz MRXVCUYLQXBRGC-AWEZNQCLSA-N 1 0 292.379 3.377 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595755127 347350113 /nfs/dbraw/zinc/35/01/13/347350113.db2.gz GXAQPGBBJKUILR-CYBMUJFWSA-N 1 0 296.342 3.045 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595763091 347352836 /nfs/dbraw/zinc/35/28/36/347352836.db2.gz NSKOTNWSRDBIOP-NSHDSACASA-N 1 0 284.306 3.306 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782406 347354817 /nfs/dbraw/zinc/35/48/17/347354817.db2.gz ZKMQDUNNFABOPG-FRRDWIJNSA-N 1 0 278.352 3.155 20 5 CGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CCCC3CCC3)CC2)n1 ZINC000595483530 347310241 /nfs/dbraw/zinc/31/02/41/347310241.db2.gz WCDPXPGLECOHBY-UHFFFAOYSA-N 1 0 292.383 3.009 20 5 CGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H]1C ZINC000595548963 347318019 /nfs/dbraw/zinc/31/80/19/347318019.db2.gz BILXDXXMWCAEBK-MXWKQRLJSA-N 1 0 266.316 3.210 20 5 CGBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c([N+](=O)[O-])s1 ZINC000596231526 347401668 /nfs/dbraw/zinc/40/16/68/347401668.db2.gz KMEWGRQPIQUQIT-CMPLNLGQSA-N 1 0 295.408 3.028 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598680520 347678666 /nfs/dbraw/zinc/67/86/66/347678666.db2.gz ZLVBFUAKJGCHSA-GXSJLCMTSA-N 1 0 270.279 3.291 20 5 CGBDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000599014450 347706341 /nfs/dbraw/zinc/70/63/41/347706341.db2.gz ARGLKZYCSXJHLC-OKILXGFUSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000599059603 347711961 /nfs/dbraw/zinc/71/19/61/347711961.db2.gz ZNZDMSCHKBDWBL-UONOGXRCSA-N 1 0 292.379 3.371 20 5 CGBDRO COCCC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599060475 347712969 /nfs/dbraw/zinc/71/29/69/347712969.db2.gz XBGHBUQJVILTOL-ZDUSSCGKSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)on1 ZINC000601109782 347870403 /nfs/dbraw/zinc/87/04/03/347870403.db2.gz ZEMZNRGXWBBMFF-UHFFFAOYSA-N 1 0 289.335 3.004 20 5 CGBDRO CC1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602502798 347971170 /nfs/dbraw/zinc/97/11/70/347971170.db2.gz NAUVANORKHCWCK-UHFFFAOYSA-N 1 0 275.308 3.158 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@H]1CC12CC2 ZINC000602692765 348010735 /nfs/dbraw/zinc/01/07/35/348010735.db2.gz AYOXDLOPVGHBKA-NSHDSACASA-N 1 0 286.253 3.256 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCO2)cc1[N+](=O)[O-] ZINC000602564281 347983048 /nfs/dbraw/zinc/98/30/48/347983048.db2.gz SDCXQVRQIQXNGQ-JSGCOSHPSA-N 1 0 278.352 3.123 20 5 CGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602809397 348032072 /nfs/dbraw/zinc/03/20/72/348032072.db2.gz HAMVEYXHHWEWFZ-KBPBESRZSA-N 1 0 294.399 3.048 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000602857730 348037588 /nfs/dbraw/zinc/03/75/88/348037588.db2.gz YPYULUGKWRYMAS-HNNXBMFYSA-N 1 0 297.358 3.369 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000602999768 348054084 /nfs/dbraw/zinc/05/40/84/348054084.db2.gz NQTIJQWUVYZXAJ-CYBMUJFWSA-N 1 0 293.367 3.293 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1cccnc1[N+](=O)[O-] ZINC000603859714 348099746 /nfs/dbraw/zinc/09/97/46/348099746.db2.gz MLOAAKOFZDRELR-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO CC(C)[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603875023 348101052 /nfs/dbraw/zinc/10/10/52/348101052.db2.gz JDWNNTNDDWPPFE-GFCCVEGCSA-N 1 0 250.342 3.114 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433521 348120324 /nfs/dbraw/zinc/12/03/24/348120324.db2.gz UDGJLAPKNZRQPF-RYUDHWBXSA-N 1 0 297.424 3.436 20 5 CGBDRO COc1cc(C[N@@H+]2CCCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000351922714 219250620 /nfs/dbraw/zinc/25/06/20/219250620.db2.gz JOTSNKAHDAYDQQ-GFCCVEGCSA-N 1 0 278.352 3.368 20 5 CGBDRO CC(C)[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CC1 ZINC000609144580 348337628 /nfs/dbraw/zinc/33/76/28/348337628.db2.gz XOKLLGHYTDKEFF-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609354023 348342639 /nfs/dbraw/zinc/34/26/39/348342639.db2.gz GZKXODKDRMXGAL-GHMZBOCLSA-N 1 0 283.397 3.331 20 5 CGBDRO CCCC[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000610274141 348370399 /nfs/dbraw/zinc/37/03/99/348370399.db2.gz LIKUNIBWKQRAMS-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000610677581 348395183 /nfs/dbraw/zinc/39/51/83/348395183.db2.gz OMHFYTRVATUPQP-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)CC2CCC2)cc1[N+](=O)[O-] ZINC000611335494 348439122 /nfs/dbraw/zinc/43/91/22/348439122.db2.gz CNMUZQKGHHQBGP-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOC2)CC1 ZINC000611178626 348426274 /nfs/dbraw/zinc/42/62/74/348426274.db2.gz ZGVOFWWTDMXHIT-ZDUSSCGKSA-N 1 0 290.363 3.158 20 5 CGBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204950 348428379 /nfs/dbraw/zinc/42/83/79/348428379.db2.gz CGQPJHHAELXBNT-QWHCGFSZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000611407522 348447508 /nfs/dbraw/zinc/44/75/08/348447508.db2.gz LTBSUMPJHGUPTO-LBPRGKRZSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515329 348458206 /nfs/dbraw/zinc/45/82/06/348458206.db2.gz JGQQXQJDRAHFTG-ZIAGYGMSSA-N 1 0 292.379 3.323 20 5 CGBDRO CO[C@@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000339530722 215233738 /nfs/dbraw/zinc/23/37/38/215233738.db2.gz QQIQRJOZKMWBFP-LJEUOOAZSA-N 1 0 290.363 3.013 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC2(CCC2)[C@H]1C1CC1 ZINC000291582099 198042662 /nfs/dbraw/zinc/04/26/62/198042662.db2.gz OZVMBXJDEHCLJM-OAHLLOKOSA-N 1 0 272.348 3.359 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C2CCC(CO)CC2)cccc1[N+](=O)[O-] ZINC000361981649 233773507 /nfs/dbraw/zinc/77/35/07/233773507.db2.gz OODWEHAKIGDUEF-IYXRBSQSSA-N 1 0 292.379 3.105 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122622800 187041787 /nfs/dbraw/zinc/04/17/87/187041787.db2.gz PURWSEANJRZZDF-GFCCVEGCSA-N 1 0 298.770 3.107 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000292382741 198266787 /nfs/dbraw/zinc/26/67/87/198266787.db2.gz JTAPQBRKRABFAZ-JTQLQIEISA-N 1 0 286.422 3.231 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292556413 198331028 /nfs/dbraw/zinc/33/10/28/198331028.db2.gz ZAUMUXCFOZOIKJ-CQSZACIVSA-N 1 0 294.420 3.212 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC12CCCC2 ZINC000428532876 236420521 /nfs/dbraw/zinc/42/05/21/236420521.db2.gz HPNKNYCYKIXZPW-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340944533 215773932 /nfs/dbraw/zinc/77/39/32/215773932.db2.gz WOQUCGNXPVHQML-OSAQELSMSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296558623 199931672 /nfs/dbraw/zinc/93/16/72/199931672.db2.gz SBUWXWSHJIXJKA-SWLSCSKDSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341566343 216015616 /nfs/dbraw/zinc/01/56/16/216015616.db2.gz QOBVCEPCGSCBBH-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000178799082 189146639 /nfs/dbraw/zinc/14/66/39/189146639.db2.gz WYNGJPFKRRAATI-ZDUSSCGKSA-N 1 0 285.347 3.273 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301184701 200932315 /nfs/dbraw/zinc/93/23/15/200932315.db2.gz JJJROVLNWCADJH-LBPRGKRZSA-N 1 0 275.352 3.024 20 5 CGBDRO Cc1cc(N[C@H](C)CC[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301432857 201007223 /nfs/dbraw/zinc/00/72/23/201007223.db2.gz HTCFCNPDCZCKFJ-SNVBAGLBSA-N 1 0 285.775 3.309 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000301562757 201069675 /nfs/dbraw/zinc/06/96/75/201069675.db2.gz LAPQBTWWIURGCR-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000182561950 189327589 /nfs/dbraw/zinc/32/75/89/189327589.db2.gz SNNIDTGZSDEIFR-GXFFZTMASA-N 1 0 292.360 3.041 20 5 CGBDRO Cc1ccc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)c([N+](=O)[O-])c1 ZINC000301584696 201081892 /nfs/dbraw/zinc/08/18/92/201081892.db2.gz ASJDNWWNHAUYDW-AWEZNQCLSA-N 1 0 291.395 3.293 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301607566 201093645 /nfs/dbraw/zinc/09/36/45/201093645.db2.gz NUBCLVFELAOYPS-GFCCVEGCSA-N 1 0 295.358 3.124 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000302025608 201303950 /nfs/dbraw/zinc/30/39/50/201303950.db2.gz PXLWSYXUZPJNEX-LLVKDONJSA-N 1 0 283.397 3.046 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccsc1 ZINC000449072930 239158864 /nfs/dbraw/zinc/15/88/64/239158864.db2.gz QUEXXGDBHQWATP-GFCCVEGCSA-N 1 0 290.388 3.420 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCCC1 ZINC000449105246 239181548 /nfs/dbraw/zinc/18/15/48/239181548.db2.gz YBLAPXWBBCYBHR-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000451455957 240306859 /nfs/dbraw/zinc/30/68/59/240306859.db2.gz KOINXEMVAIWXJQ-OAHLLOKOSA-N 1 0 290.363 3.286 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCCF)C2)cc1 ZINC000451554138 240324645 /nfs/dbraw/zinc/32/46/45/240324645.db2.gz ZJBAIXWPDNKPFX-CYBMUJFWSA-N 1 0 266.316 3.134 20 5 CGBDRO CCOC[C@H]1CCCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000459672416 242173060 /nfs/dbraw/zinc/17/30/60/242173060.db2.gz IGNFCCBWCUHVLK-OAHLLOKOSA-N 1 0 292.379 3.294 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC(C)(C)C1 ZINC000459754264 242211995 /nfs/dbraw/zinc/21/19/95/242211995.db2.gz MLHGUKHFEAXNFQ-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)(C)C ZINC000463377914 242395163 /nfs/dbraw/zinc/39/51/63/242395163.db2.gz OXUDPLSCUFXRSY-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000025609583 368850975 /nfs/dbraw/zinc/85/09/75/368850975.db2.gz WANMSVOOBCHCLZ-MRXNPFEDSA-N 1 0 285.347 3.310 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000033394704 368963271 /nfs/dbraw/zinc/96/32/71/368963271.db2.gz WDUFHALGCCZXFY-OYVUYXNMSA-N 1 0 260.337 3.482 20 5 CGBDRO C[C@H](NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177077 369074598 /nfs/dbraw/zinc/07/45/98/369074598.db2.gz PJJFMYASOOJUHT-AWEZNQCLSA-N 1 0 291.395 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccs2)cs1 ZINC000037472329 369084461 /nfs/dbraw/zinc/08/44/61/369084461.db2.gz QBURZQZGZQUSTR-UHFFFAOYSA-N 1 0 254.336 3.008 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000037738477 369102119 /nfs/dbraw/zinc/10/21/19/369102119.db2.gz NMNNHYURAIPRBE-IUODEOHRSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1cccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000037871775 369121420 /nfs/dbraw/zinc/12/14/20/369121420.db2.gz XOBJHGUYIJOOER-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000330657634 203085046 /nfs/dbraw/zinc/08/50/46/203085046.db2.gz PWCXIOPVALNVIV-OSAQELSMSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)(C)[NH+]1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037786490 369113068 /nfs/dbraw/zinc/11/30/68/369113068.db2.gz ALULCNZQAYFZHG-UHFFFAOYSA-N 1 0 297.424 3.009 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000038079317 369143881 /nfs/dbraw/zinc/14/38/81/369143881.db2.gz CLZCWLRJHGABIZ-CYBMUJFWSA-N 1 0 286.331 3.324 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000048947803 369375643 /nfs/dbraw/zinc/37/56/43/369375643.db2.gz HLAKRZMKZQJDPU-LBPRGKRZSA-N 1 0 298.770 3.249 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[NH+]1CCCCC1 ZINC000049502236 369405337 /nfs/dbraw/zinc/40/53/37/369405337.db2.gz RTTNAPBCOQYBJW-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H](CC[NH+](C)C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049558708 369408985 /nfs/dbraw/zinc/40/89/85/369408985.db2.gz LXQMSTUTJXWMJL-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO CC(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963303 369425070 /nfs/dbraw/zinc/42/50/70/369425070.db2.gz PALIEJWOPUQETA-SECBINFHSA-N 1 0 256.733 3.382 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cc(F)cc(F)c2)cs1 ZINC000051634462 369450115 /nfs/dbraw/zinc/45/01/15/369450115.db2.gz QBOQIYNUDHEGRK-UHFFFAOYSA-N 1 0 298.314 3.267 20 5 CGBDRO CC[NH+](CC)[C@@H](CNc1ccc([N+](=O)[O-])cn1)CC(C)C ZINC000058604569 369571263 /nfs/dbraw/zinc/57/12/63/369571263.db2.gz KFASSMGRPJFEEH-CQSZACIVSA-N 1 0 294.399 3.158 20 5 CGBDRO CC[C@H]([NH2+]CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000063133562 369641111 /nfs/dbraw/zinc/64/11/11/369641111.db2.gz RQZTWIGAFUBRCA-ZDUSSCGKSA-N 1 0 291.376 3.335 20 5 CGBDRO CC(C)c1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)cc1[N+](=O)[O-] ZINC000093144622 370112279 /nfs/dbraw/zinc/11/22/79/370112279.db2.gz QXELMLWGRLKQER-CYBMUJFWSA-N 1 0 294.395 3.309 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094307851 370166734 /nfs/dbraw/zinc/16/67/34/370166734.db2.gz BHIXTDUFTSEXSG-AWEZNQCLSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[NH+](CC)CCCNc1cc(C)ccc1[N+](=O)[O-] ZINC000094659355 370167900 /nfs/dbraw/zinc/16/79/00/370167900.db2.gz RZOPVRSBCNFTLV-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO CC[NH+]1CCC(CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000094659581 370168753 /nfs/dbraw/zinc/16/87/53/370168753.db2.gz DOWRRNOMNDUQNO-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000131905859 371138711 /nfs/dbraw/zinc/13/87/11/371138711.db2.gz NILGICINBAZWRQ-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCc3ccsc3C2)cc1 ZINC000132944519 371214124 /nfs/dbraw/zinc/21/41/24/371214124.db2.gz PGNQNNNUZPBUHP-UHFFFAOYSA-N 1 0 288.372 3.257 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C ZINC000220352361 376207476 /nfs/dbraw/zinc/20/74/76/376207476.db2.gz DSMNNXHGFOTCCN-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1c([C@@H](C)NCc2ccco2)cccc1[N+](=O)[O-] ZINC000152037750 371668775 /nfs/dbraw/zinc/66/87/75/371668775.db2.gz JCZOHDOSTXDPGN-LLVKDONJSA-N 1 0 260.293 3.347 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000152941433 371737888 /nfs/dbraw/zinc/73/78/88/371737888.db2.gz ZRCMNNJFOIJKSS-MRXNPFEDSA-N 1 0 292.379 3.377 20 5 CGBDRO Cc1ccncc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000289973826 371867096 /nfs/dbraw/zinc/86/70/96/371867096.db2.gz BWGHXAAKXFBHSN-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO C[C@@H](NCC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423208029 372030583 /nfs/dbraw/zinc/03/05/83/372030583.db2.gz YILLSTDRLJMKRD-CYBMUJFWSA-N 1 0 291.395 3.297 20 5 CGBDRO CO[C@](C)(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000291101832 372115508 /nfs/dbraw/zinc/11/55/08/372115508.db2.gz DSPNWDLPUYZGBV-MLGOLLRUSA-N 1 0 292.379 3.369 20 5 CGBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CCOC1 ZINC000291331427 372162597 /nfs/dbraw/zinc/16/25/97/372162597.db2.gz USKXNOZFIQEEFM-ZKKXHLJNSA-N 1 0 290.363 3.107 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344332730 217155633 /nfs/dbraw/zinc/15/56/33/217155633.db2.gz ZJEVMZCHPJTVAQ-VXGBXAGGSA-N 1 0 286.784 3.232 20 5 CGBDRO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325279 372355476 /nfs/dbraw/zinc/35/54/76/372355476.db2.gz XTAVVFWLPDFBKM-CJNGLKHVSA-N 1 0 292.379 3.403 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000162220798 372382289 /nfs/dbraw/zinc/38/22/89/372382289.db2.gz SZTYRNLPCCAFIR-WBMJQRKESA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCCOCC2CC2)cccc1[N+](=O)[O-] ZINC000162871898 372430839 /nfs/dbraw/zinc/43/08/39/372430839.db2.gz CLVNOCKRAWGLNP-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163828412 372495195 /nfs/dbraw/zinc/49/51/95/372495195.db2.gz OTSJDUOVJCIMIS-XEZPLFJOSA-N 1 0 294.395 3.351 20 5 CGBDRO CCSCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000163922804 372500520 /nfs/dbraw/zinc/50/05/20/372500520.db2.gz UTPQJWWTAMNKEO-LLVKDONJSA-N 1 0 268.382 3.389 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000167057640 372589168 /nfs/dbraw/zinc/58/91/68/372589168.db2.gz MWFKQQPKSQKMIH-IUODEOHRSA-N 1 0 278.352 3.123 20 5 CGBDRO COC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000296011491 372992617 /nfs/dbraw/zinc/99/26/17/372992617.db2.gz LPSCCPYJHYYJEJ-ZOODHJKOSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000441441948 373013902 /nfs/dbraw/zinc/01/39/02/373013902.db2.gz CMHAKHSZYQYNCX-KBPBESRZSA-N 1 0 290.363 3.238 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000296156873 373040570 /nfs/dbraw/zinc/04/05/70/373040570.db2.gz UHMDNAVHSKSOSM-OAHLLOKOSA-N 1 0 292.379 3.150 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000296272409 373074360 /nfs/dbraw/zinc/07/43/60/373074360.db2.gz DRWVQJWHCXSSNS-KBPBESRZSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)=CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601068 373463486 /nfs/dbraw/zinc/46/34/86/373463486.db2.gz NXAKVAVXWNDFPS-ZIAGYGMSSA-N 1 0 292.383 3.221 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCO1 ZINC000345044413 217394690 /nfs/dbraw/zinc/39/46/90/217394690.db2.gz PEESFZYWZDTYMK-OVHOFWQVSA-N 1 0 290.363 3.157 20 5 CGBDRO CCOC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000176307106 373580380 /nfs/dbraw/zinc/58/03/80/373580380.db2.gz SZKSRWJSRXEWPO-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO CCOC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176341418 373584812 /nfs/dbraw/zinc/58/48/12/373584812.db2.gz GMRVAWDVTXGWCP-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449483497 373772856 /nfs/dbraw/zinc/77/28/56/373772856.db2.gz IYZYFXCIOBTLKU-BZPMIXESSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+](C(C)C)C(C)C)n1 ZINC000178243594 373757280 /nfs/dbraw/zinc/75/72/80/373757280.db2.gz OGUUFCRNGZDEHG-UHFFFAOYSA-N 1 0 294.399 3.219 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449480553 373769242 /nfs/dbraw/zinc/76/92/42/373769242.db2.gz YSYCKRKVLRNKMO-BBRMVZONSA-N 1 0 294.395 3.321 20 5 CGBDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000449492471 373784531 /nfs/dbraw/zinc/78/45/31/373784531.db2.gz JKJZZEZIOFUORV-YPMHNXCESA-N 1 0 298.408 3.197 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182028395 374206768 /nfs/dbraw/zinc/20/67/68/374206768.db2.gz NDMNKVCWWJBQHO-VIFPVBQESA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313809568 374306004 /nfs/dbraw/zinc/30/60/04/374306004.db2.gz ICMICEDZZVTEMH-LLVKDONJSA-N 1 0 292.310 3.438 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314499427 374317229 /nfs/dbraw/zinc/31/72/29/374317229.db2.gz RMCLDKFNJPIQMN-MELADBBJSA-N 1 0 292.379 3.044 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C2CCC(CO)CC2)cc1[N+](=O)[O-] ZINC000314513380 374319221 /nfs/dbraw/zinc/31/92/21/374319221.db2.gz ZLAUUVRXPCOALK-OPFPJEHXSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1c(C[NH2+][C@H](C(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000324417340 374357063 /nfs/dbraw/zinc/35/70/63/374357063.db2.gz RKCAYZSOPHRXBO-OAHLLOKOSA-N 1 0 262.353 3.427 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000453375230 374460890 /nfs/dbraw/zinc/46/08/90/374460890.db2.gz IAHCYLPWWZLGIP-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663250 374488931 /nfs/dbraw/zinc/48/89/31/374488931.db2.gz SWPQALYHOTUVJW-YPMHNXCESA-N 1 0 278.352 3.366 20 5 CGBDRO CSCCCCC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185160621 374599924 /nfs/dbraw/zinc/59/99/24/374599924.db2.gz YNPTZIKHUOAJBJ-UHFFFAOYSA-N 1 0 268.382 3.218 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC3(CC3)C2)cc1 ZINC000186998749 374953535 /nfs/dbraw/zinc/95/35/35/374953535.db2.gz IFNYIPZRKDEANI-UHFFFAOYSA-N 1 0 260.337 3.013 20 5 CGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000193226578 375844264 /nfs/dbraw/zinc/84/42/64/375844264.db2.gz MOPBVIKHNMIOAS-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000193660505 375905356 /nfs/dbraw/zinc/90/53/56/375905356.db2.gz NFEKECBIGKBYLI-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537092738 376147791 /nfs/dbraw/zinc/14/77/91/376147791.db2.gz GXMSCVXEFYWNCO-XJKCOSOUSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000538936688 376279595 /nfs/dbraw/zinc/27/95/95/376279595.db2.gz IUMVJVSPKBNXIG-DZGCQCFKSA-N 1 0 291.395 3.212 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000222798286 376242313 /nfs/dbraw/zinc/24/23/13/376242313.db2.gz SYOZWGMITIFIMD-WHOFXGATSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)CC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000540590492 376384706 /nfs/dbraw/zinc/38/47/06/376384706.db2.gz IJBMMLFFWRTSCK-CYBMUJFWSA-N 1 0 296.415 3.232 20 5 CGBDRO Cc1cc(N[C@@H]2CCSC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228556969 376440245 /nfs/dbraw/zinc/44/02/45/376440245.db2.gz ZGMKOSYPMMXOAH-SNVBAGLBSA-N 1 0 289.360 3.369 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC(C)(C)C2)ccc1[N+](=O)[O-] ZINC000542252108 376523281 /nfs/dbraw/zinc/52/32/81/376523281.db2.gz VFGQGQJLLUFKAX-LBPRGKRZSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000544785681 376763193 /nfs/dbraw/zinc/76/31/93/376763193.db2.gz DZBSBVJQWODRNQ-LBPRGKRZSA-N 1 0 262.353 3.463 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000339675594 376803509 /nfs/dbraw/zinc/80/35/09/376803509.db2.gz DWDKZPCYXGOZOL-AWEZNQCLSA-N 1 0 290.363 3.225 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000339793885 376850346 /nfs/dbraw/zinc/85/03/46/376850346.db2.gz BYIDHHIKQMYNNC-NSHDSACASA-N 1 0 288.351 3.292 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000245960834 376945358 /nfs/dbraw/zinc/94/53/58/376945358.db2.gz UUYWMEVFGKVORU-NXEZZACHSA-N 1 0 254.355 3.134 20 5 CGBDRO CCOC[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246097897 376966872 /nfs/dbraw/zinc/96/68/72/376966872.db2.gz AOIDFZKLCYGJNE-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000558251449 376987808 /nfs/dbraw/zinc/98/78/08/376987808.db2.gz VUQMPVRIGFMSRS-GJZGRUSLSA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000246888813 377112153 /nfs/dbraw/zinc/11/21/53/377112153.db2.gz DRQULGRELYFJRA-APHBMKBZSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CSC1(C)C ZINC000558972522 377058055 /nfs/dbraw/zinc/05/80/55/377058055.db2.gz BEDDISLUHUDKTG-GWCFXTLKSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cc1[N+](=O)[O-] ZINC000563157448 377410695 /nfs/dbraw/zinc/41/06/95/377410695.db2.gz FSBNOOSIAPEOLB-MRXNPFEDSA-N 1 0 297.358 3.288 20 5 CGBDRO CC[C@]1(CO)CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000249533091 377514009 /nfs/dbraw/zinc/51/40/09/377514009.db2.gz BMTLJUJEWGNXCA-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000313286410 249090802 /nfs/dbraw/zinc/09/08/02/249090802.db2.gz DWYZCDRRUBZHNA-VXGBXAGGSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000515300511 249207276 /nfs/dbraw/zinc/20/72/76/249207276.db2.gz SRTMBVJZNIGCKD-CHWSQXEVSA-N 1 0 266.316 3.274 20 5 CGBDRO CC[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516994495 249253254 /nfs/dbraw/zinc/25/32/54/249253254.db2.gz QSSOUFLANBKDNE-ABAIWWIYSA-N 1 0 287.363 3.397 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@H]1CCCO1 ZINC000342591043 377677336 /nfs/dbraw/zinc/67/73/36/377677336.db2.gz DFTISGQFBWNHSN-QWHCGFSZSA-N 1 0 278.352 3.157 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268910882 378149864 /nfs/dbraw/zinc/14/98/64/378149864.db2.gz SVEIITKBWPJOJN-IUODEOHRSA-N 1 0 280.368 3.105 20 5 CGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000270598565 378372811 /nfs/dbraw/zinc/37/28/11/378372811.db2.gz AEXDPFDDOIFZGF-DZGCQCFKSA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000272553313 378663656 /nfs/dbraw/zinc/66/36/56/378663656.db2.gz DEFQZHOAQIHIGO-CHWSQXEVSA-N 1 0 280.368 3.105 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]C[C@H]1CCC=CO1 ZINC000278511019 194019305 /nfs/dbraw/zinc/01/93/05/194019305.db2.gz PXMYNYHJPMISRM-CYBMUJFWSA-N 1 0 296.754 3.073 20 5 CGBDRO CC[C@@H]([NH2+]C1CC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000277024510 379047865 /nfs/dbraw/zinc/04/78/65/379047865.db2.gz DPWZWVOZZDCKPI-GFCCVEGCSA-N 1 0 270.279 3.433 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2CCC3(CC3)CC2)cs1 ZINC000277492657 379174151 /nfs/dbraw/zinc/17/41/51/379174151.db2.gz NXFACAMGEWAEDL-UHFFFAOYSA-N 1 0 266.366 3.469 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278819578 194168597 /nfs/dbraw/zinc/16/85/97/194168597.db2.gz ZGZSZGFHOIDNLP-CYBMUJFWSA-N 1 0 288.351 3.139 20 5 CGBDRO C[C@H]([NH2+]CCOC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000266501416 190261509 /nfs/dbraw/zinc/26/15/09/190261509.db2.gz VSRKKHNNZNJQSY-NSHDSACASA-N 1 0 266.341 3.061 20 5 CGBDRO CO[C@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000266612678 190271303 /nfs/dbraw/zinc/27/13/03/190271303.db2.gz IJJQLNNGBSRTNX-CYBMUJFWSA-N 1 0 286.759 3.009 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000280176251 379630204 /nfs/dbraw/zinc/63/02/04/379630204.db2.gz UBVZQVRMJMDHHD-NEPJUHHUSA-N 1 0 280.393 3.307 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000280407332 379700256 /nfs/dbraw/zinc/70/02/56/379700256.db2.gz AXNRHTDUURANMV-LLVKDONJSA-N 1 0 284.306 3.428 20 5 CGBDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)cc1[N+](=O)[O-] ZINC000280621023 379748810 /nfs/dbraw/zinc/74/88/10/379748810.db2.gz ZUAIVHHKXOYURI-UKRRQHHQSA-N 1 0 292.379 3.029 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541266 379849206 /nfs/dbraw/zinc/84/92/06/379849206.db2.gz VTLIPFQDELSBQF-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541617 379850720 /nfs/dbraw/zinc/85/07/20/379850720.db2.gz ZYOGEEZBDBGLRM-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1cc(N[C@H]2CC[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000380341336 379863798 /nfs/dbraw/zinc/86/37/98/379863798.db2.gz YMDKRSYVMVVIME-ZANVPECISA-N 1 0 271.320 3.084 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283407698 380059418 /nfs/dbraw/zinc/05/94/18/380059418.db2.gz FUGBKYSBMPQGKW-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000353231501 380178728 /nfs/dbraw/zinc/17/87/28/380178728.db2.gz KGLWRPBRHPPVQE-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cn1 ZINC000353191561 380160719 /nfs/dbraw/zinc/16/07/19/380160719.db2.gz REMAOSCOOXFPPZ-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353963583 380255909 /nfs/dbraw/zinc/25/59/09/380255909.db2.gz XTOHCYNZSUJXDT-ZBFHGGJFSA-N 1 0 292.379 3.230 20 5 CGBDRO Cc1occc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000414445140 380239591 /nfs/dbraw/zinc/23/95/91/380239591.db2.gz WAWWAUUKFZTHPQ-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC23CCSCC3)c1 ZINC000421346296 380887966 /nfs/dbraw/zinc/88/79/66/380887966.db2.gz CKWMBMJJYFZMTB-ZDUSSCGKSA-N 1 0 292.404 3.218 20 5 CGBDRO CC[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984932 380971303 /nfs/dbraw/zinc/97/13/03/380971303.db2.gz ILLPAXLGSLUMBG-ZFWWWQNUSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[N@H+](CCNc1c(C)cccc1[N+](=O)[O-])C(C)C ZINC000357236100 381078922 /nfs/dbraw/zinc/07/89/22/381078922.db2.gz SSUJWKBEFWYEHI-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000360601392 381590754 /nfs/dbraw/zinc/59/07/54/381590754.db2.gz XHQCBUCTPBSYCI-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC1CCC1 ZINC000361483976 381769321 /nfs/dbraw/zinc/76/93/21/381769321.db2.gz HCYKEAGFSBXTOV-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361629514 381847716 /nfs/dbraw/zinc/84/77/16/381847716.db2.gz KTPGENLZZZFUPP-UKRRQHHQSA-N 1 0 292.379 3.232 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362313277 381939013 /nfs/dbraw/zinc/93/90/13/381939013.db2.gz CELWJQINFZHOLA-GHMZBOCLSA-N 1 0 296.342 3.363 20 5 CGBDRO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H](C)OC ZINC000291050380 285095147 /nfs/dbraw/zinc/09/51/47/285095147.db2.gz IFNKSALENOYCHE-JTQLQIEISA-N 1 0 286.759 3.105 20 5 CGBDRO CC(C)CC[C@@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350289032 219005310 /nfs/dbraw/zinc/00/53/10/219005310.db2.gz QCQKPJDGDRWQPQ-OAHLLOKOSA-N 1 0 298.358 3.011 20 5 CGBDRO CC(C)CC[C@](C)(O)C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350289028 219005800 /nfs/dbraw/zinc/00/58/00/219005800.db2.gz QCQKPJDGDRWQPQ-HNNXBMFYSA-N 1 0 298.358 3.011 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCCC2CC2)n1 ZINC000516145753 285169777 /nfs/dbraw/zinc/16/97/77/285169777.db2.gz OLSLXNMENHYVTO-KGLIPLIRSA-N 1 0 292.383 3.055 20 5 CGBDRO CSCCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000281374102 195214569 /nfs/dbraw/zinc/21/45/69/195214569.db2.gz LWLUWSDEKDPKNL-LLVKDONJSA-N 1 0 268.382 3.341 20 5 CGBDRO C[C@@H](CC(C)(C)C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000449285781 533467976 /nfs/dbraw/zinc/46/79/76/533467976.db2.gz SMBUDTXODYZAAP-JTQLQIEISA-N 1 0 290.367 3.385 20 5 CGBDRO COc1ccc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000177514318 533571202 /nfs/dbraw/zinc/57/12/02/533571202.db2.gz JJQNOXHNAJKYKQ-OKILXGFUSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000449169376 533644667 /nfs/dbraw/zinc/64/46/67/533644667.db2.gz GSNUCKKAPMMIFB-DVOMOZLQSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1ccc(C[NH2+]C2CCCCC2)cc1[N+](=O)[O-] ZINC000021013174 533657503 /nfs/dbraw/zinc/65/75/03/533657503.db2.gz HOKIFNPHHLAFAN-UHFFFAOYSA-N 1 0 264.325 3.026 20 5 CGBDRO CCOC1CC(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000191026018 130172921 /nfs/dbraw/zinc/17/29/21/130172921.db2.gz LAJYYUCLSDYIHM-FUJMWEONSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000191046108 130176008 /nfs/dbraw/zinc/17/60/08/130176008.db2.gz DPKSKPSSNAUWSN-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](C)CC1 ZINC000192176353 130388006 /nfs/dbraw/zinc/38/80/06/130388006.db2.gz OCHYSKZKPNZHHQ-NEPJUHHUSA-N 1 0 280.393 3.483 20 5 CGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000361900604 392357725 /nfs/dbraw/zinc/35/77/25/392357725.db2.gz NXHIMSXJOIIXRY-VXGBXAGGSA-N 1 0 298.408 3.338 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000361964527 392375702 /nfs/dbraw/zinc/37/57/02/392375702.db2.gz AHQARTUUKUQOGQ-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO CC[C@@H](CN[C@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000151707492 392486684 /nfs/dbraw/zinc/48/66/84/392486684.db2.gz NHNRPLDJPAMHEM-HIFRSBDPSA-N 1 0 291.395 3.120 20 5 CGBDRO CO[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371737008 392551212 /nfs/dbraw/zinc/55/12/12/392551212.db2.gz ZRFUWKSTQQKSOB-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000296009532 392553265 /nfs/dbraw/zinc/55/32/65/392553265.db2.gz LOCJMSVEWSVXCX-KZVDOYCCSA-N 1 0 278.352 3.201 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000374650432 392684585 /nfs/dbraw/zinc/68/45/85/392684585.db2.gz XSVHDLGAUJFFOJ-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180246905 392707812 /nfs/dbraw/zinc/70/78/12/392707812.db2.gz KIXXWOKDQBOKNQ-VHSXEESVSA-N 1 0 274.324 3.038 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000468617666 393154718 /nfs/dbraw/zinc/15/47/18/393154718.db2.gz IKJRANDGJXHIQU-MKGJVGOLSA-N 1 0 290.363 3.155 20 5 CGBDRO CCC(CC)[C@@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+](C)C ZINC000470867875 393260341 /nfs/dbraw/zinc/26/03/41/393260341.db2.gz VUQMNBGZDJCDOQ-CQSZACIVSA-N 1 0 294.399 3.077 20 5 CGBDRO CSC1(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000356312474 393417823 /nfs/dbraw/zinc/41/78/23/393417823.db2.gz XBWXURYSPZVKBZ-UHFFFAOYSA-N 1 0 294.420 3.355 20 5 CGBDRO CCC(=O)c1ccc(N[C@@H](C)CCCC[NH3+])c([N+](=O)[O-])c1 ZINC000420253694 393443456 /nfs/dbraw/zinc/44/34/56/393443456.db2.gz BMEWJHIWKXPTSF-NSHDSACASA-N 1 0 293.367 3.117 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000429555453 393478167 /nfs/dbraw/zinc/47/81/67/393478167.db2.gz FJZYIWYESCOEBT-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582174 393487568 /nfs/dbraw/zinc/48/75/68/393487568.db2.gz ZVDPPTDTYQXJGJ-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1cc(NC2CCC([NH+](C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000420622037 393508741 /nfs/dbraw/zinc/50/87/41/393508741.db2.gz FBCMNWZWGFCDNC-UHFFFAOYSA-N 1 0 295.358 3.327 20 5 CGBDRO CC[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](CC)O1 ZINC000420948812 393554560 /nfs/dbraw/zinc/55/45/60/393554560.db2.gz FAARRJVDLZBHJV-HOTGVXAUSA-N 1 0 292.379 3.027 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC(C)=C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000430867560 393600911 /nfs/dbraw/zinc/60/09/11/393600911.db2.gz KWCZZGSWAXTVND-NSHDSACASA-N 1 0 260.337 3.301 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421023930 393581085 /nfs/dbraw/zinc/58/10/85/393581085.db2.gz WUMZUVXAYKNAAQ-ZIAGYGMSSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000433060927 393680451 /nfs/dbraw/zinc/68/04/51/393680451.db2.gz ICQAAQQLEMPIRB-QIMFLAQGSA-N 1 0 278.327 3.402 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491159499 393669247 /nfs/dbraw/zinc/66/92/47/393669247.db2.gz DPBSIDODIBFCHC-DGCLKSJQSA-N 1 0 260.337 3.388 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449556038 393900663 /nfs/dbraw/zinc/90/06/63/393900663.db2.gz SGKQUODKMXZRKI-AAEUAGOBSA-N 1 0 266.316 3.116 20 5 CGBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000453139678 394184272 /nfs/dbraw/zinc/18/42/72/394184272.db2.gz BLENOQZFTGPHCX-CQSZACIVSA-N 1 0 299.374 3.491 20 5 CGBDRO CCOC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189794435 286140244 /nfs/dbraw/zinc/14/02/44/286140244.db2.gz HRQCECXDRSKDDC-SWLSCSKDSA-N 1 0 280.368 3.307 20 5 CGBDRO CC[NH+](CC)CCCCNc1ccccc1[N+](=O)[O-] ZINC000065944919 286968948 /nfs/dbraw/zinc/96/89/48/286968948.db2.gz DEGMUBHCFFNYMZ-UHFFFAOYSA-N 1 0 265.357 3.129 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000070306974 286988149 /nfs/dbraw/zinc/98/81/49/286988149.db2.gz ZREFTCCPONKLME-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157874435 287070476 /nfs/dbraw/zinc/07/04/76/287070476.db2.gz AZAQYTMHWZZDFY-WPGHFRTFSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCSCC1 ZINC000089984325 165221037 /nfs/dbraw/zinc/22/10/37/165221037.db2.gz JMLVVRDXZKFRMA-NSHDSACASA-N 1 0 266.366 3.095 20 5 CGBDRO CO[C@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000091772584 165270086 /nfs/dbraw/zinc/27/00/86/165270086.db2.gz DYQIWYJNOHZUQI-AWEZNQCLSA-N 1 0 292.379 3.329 20 5 CGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CCC1 ZINC000093475972 165329358 /nfs/dbraw/zinc/32/93/58/165329358.db2.gz SCSQDTJRTSAWJE-UHFFFAOYSA-N 1 0 286.278 3.181 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094797547 165391599 /nfs/dbraw/zinc/39/15/99/165391599.db2.gz AFHIDBJDAVAWCF-WFASDCNBSA-N 1 0 278.352 3.123 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165430643 165485243 /nfs/dbraw/zinc/48/52/43/165485243.db2.gz PAWZLVDKCRIGBG-JKSUJKDBSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]1CCC[N@@H+]1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119257130 287167200 /nfs/dbraw/zinc/16/72/00/287167200.db2.gz JQMKVYOPGWTXHW-VIFPVBQESA-N 1 0 254.717 3.233 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000124046665 287228856 /nfs/dbraw/zinc/22/88/56/287228856.db2.gz ALXGXCZGMAIUQQ-MRXNPFEDSA-N 1 0 294.395 3.180 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@](C)(O)CCC(C)C)cc1[N+](=O)[O-] ZINC000124046864 287229047 /nfs/dbraw/zinc/22/90/47/287229047.db2.gz ALXGXCZGMAIUQQ-INIZCTEOSA-N 1 0 294.395 3.180 20 5 CGBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000020137483 171024296 /nfs/dbraw/zinc/02/42/96/171024296.db2.gz RGDQYTFUUFHZSS-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000035648912 172325389 /nfs/dbraw/zinc/32/53/89/172325389.db2.gz LKGGOPNRQBYDGJ-LLVKDONJSA-N 1 0 250.342 3.427 20 5 CGBDRO CC[NH+](CC)CCCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131429521 287379458 /nfs/dbraw/zinc/37/94/58/287379458.db2.gz FBYWENGYFJVKGF-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)NCC(C)(C)C[NH+](C)C ZINC000132136041 287397771 /nfs/dbraw/zinc/39/77/71/287397771.db2.gz CFCAATKJCGGPIE-CYBMUJFWSA-N 1 0 293.411 3.142 20 5 CGBDRO C[C@H]1CSCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190842214 270074007 /nfs/dbraw/zinc/07/40/07/270074007.db2.gz JWDKPDDNPJFDLQ-DIECRNLCSA-N 1 0 292.404 3.293 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000224521199 270086703 /nfs/dbraw/zinc/08/67/03/270086703.db2.gz MTMJCPTYCPNKIZ-TUKIKUTGSA-N 1 0 292.379 3.367 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000527100241 270125563 /nfs/dbraw/zinc/12/55/63/270125563.db2.gz BUBCGFMRBWQJPB-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959474 270211778 /nfs/dbraw/zinc/21/17/78/270211778.db2.gz DKSBFBSMVSNMHJ-KGLIPLIRSA-N 1 0 293.411 3.284 20 5 CGBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CC1 ZINC000532668290 270218304 /nfs/dbraw/zinc/21/83/04/270218304.db2.gz OJQZCNSCNSBPTA-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000447533609 274077566 /nfs/dbraw/zinc/07/75/66/274077566.db2.gz RWFCJJVWIALNTH-HZPDHXFCSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332131706 274287995 /nfs/dbraw/zinc/28/79/95/274287995.db2.gz DYWVIJPUTAGCIW-ZYHUDNBSSA-N 1 0 288.351 3.139 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000302676926 274723043 /nfs/dbraw/zinc/72/30/43/274723043.db2.gz NDTNBSDJNLDKPS-LLVKDONJSA-N 1 0 297.786 3.087 20 5 CGBDRO CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267861455 275997264 /nfs/dbraw/zinc/99/72/64/275997264.db2.gz IIXBGFAWPPEZMA-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236448 276036947 /nfs/dbraw/zinc/03/69/47/276036947.db2.gz MRJVRTVCBLJBLY-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nc(C)ccc1[N+](=O)[O-] ZINC000128903991 276325814 /nfs/dbraw/zinc/32/58/14/276325814.db2.gz GSDIPABBDVOYGK-GFCCVEGCSA-N 1 0 294.399 3.221 20 5 CGBDRO CC[N@@H+]1CCCN(c2c(C)cc([N+](=O)[O-])cc2Cl)CC1 ZINC000302833405 276368395 /nfs/dbraw/zinc/36/83/95/276368395.db2.gz SILJCKIWWLKQHX-UHFFFAOYSA-N 1 0 297.786 3.089 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000361805549 287913271 /nfs/dbraw/zinc/91/32/71/287913271.db2.gz VNJSYYLIXPDVOV-OUCADQQQSA-N 1 0 280.368 3.043 20 5 CGBDRO COC[C@@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567343 277256218 /nfs/dbraw/zinc/25/62/18/277256218.db2.gz CXNCCMIWCCBSDQ-WFASDCNBSA-N 1 0 278.352 3.014 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169881 277459460 /nfs/dbraw/zinc/45/94/60/277459460.db2.gz PVLIVZLTVIOZHI-STQMWFEESA-N 1 0 294.395 3.319 20 5 CGBDRO COC1([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421822779 277471985 /nfs/dbraw/zinc/47/19/85/277471985.db2.gz BJLBJCGDWFDUNJ-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453332612 277650075 /nfs/dbraw/zinc/65/00/75/277650075.db2.gz VGHBHHCOQSDNSN-BZUAXINKSA-N 1 0 290.363 3.129 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248884496 277660530 /nfs/dbraw/zinc/66/05/30/277660530.db2.gz LTCLOWFTGCFWIA-XPKDYRNWSA-N 1 0 290.363 3.129 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000248884495 277661914 /nfs/dbraw/zinc/66/19/14/277661914.db2.gz LTCLOWFTGCFWIA-BJJXKVORSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000159966382 278385357 /nfs/dbraw/zinc/38/53/57/278385357.db2.gz UQMCRBHATINLQT-YPMHNXCESA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(C[NH2+][C@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000398473894 288044977 /nfs/dbraw/zinc/04/49/77/288044977.db2.gz PFHYHPXVPFDJGE-OAHLLOKOSA-N 1 0 260.337 3.492 20 5 CGBDRO CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447584767 278463438 /nfs/dbraw/zinc/46/34/38/278463438.db2.gz HGJRJHOIDPKZNP-QWHCGFSZSA-N 1 0 292.383 3.055 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCCC2)c(F)c1 ZINC000379791237 335089329 /nfs/dbraw/zinc/08/93/29/335089329.db2.gz KBOHUOYTFIDCMQ-UHFFFAOYSA-N 1 0 264.300 3.324 20 5 CGBDRO C[C@@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000192945792 279162498 /nfs/dbraw/zinc/16/24/98/279162498.db2.gz KUYGIEHLNPFMCE-CVEARBPZSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@H](CF)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290245957 279276259 /nfs/dbraw/zinc/27/62/59/279276259.db2.gz VFKQMPYMOCQENW-MBNYWOFBSA-N 1 0 280.343 3.254 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301542180 279398331 /nfs/dbraw/zinc/39/83/31/279398331.db2.gz CPEZNIUOHIJIAQ-UONOGXRCSA-N 1 0 291.395 3.070 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000020525927 279492147 /nfs/dbraw/zinc/49/21/47/279492147.db2.gz LDABGFIQEDQHQV-LBPRGKRZSA-N 1 0 256.305 3.446 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000357876069 280020936 /nfs/dbraw/zinc/02/09/36/280020936.db2.gz WJTAUSJKGITFPF-NOLJZWGESA-N 1 0 292.379 3.449 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000531527877 288337153 /nfs/dbraw/zinc/33/71/53/288337153.db2.gz XDPSKKMCUNTLAP-NSHDSACASA-N 1 0 254.355 3.134 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724413 288343542 /nfs/dbraw/zinc/34/35/42/288343542.db2.gz PSZILDVUVDTUNM-BLLLJJGKSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000541795144 288721865 /nfs/dbraw/zinc/72/18/65/288721865.db2.gz XTPZDUARQGYJJP-NILFDRSVSA-N 1 0 292.379 3.052 20 5 CGBDRO C[C@@H]([N@H+](C)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000549929423 289061433 /nfs/dbraw/zinc/06/14/33/289061433.db2.gz BBIZKSBLYDCFJC-GFCCVEGCSA-N 1 0 280.368 3.340 20 5 CGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000549934003 289062091 /nfs/dbraw/zinc/06/20/91/289062091.db2.gz QWPQLUYTFPLCCT-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000552086804 289161775 /nfs/dbraw/zinc/16/17/75/289161775.db2.gz QSBJCJIFCXALLQ-KCPJHIHWSA-N 1 0 274.364 3.304 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C3CCCC3)c2c1 ZINC000554723865 289303879 /nfs/dbraw/zinc/30/38/79/289303879.db2.gz UVLVLINDXRNSKF-UHFFFAOYSA-N 1 0 273.336 3.151 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558129073 289474245 /nfs/dbraw/zinc/47/42/45/289474245.db2.gz NQSDYFWSQRIZSC-NHYWBVRUSA-N 1 0 287.363 3.397 20 5 CGBDRO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])[C@H](c2ccccc2)C1 ZINC000301069387 290058032 /nfs/dbraw/zinc/05/80/32/290058032.db2.gz KZRHWCHRBNGUSO-KRWDZBQOSA-N 1 0 297.358 3.088 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)C1CC1 ZINC000424343254 304807429 /nfs/dbraw/zinc/80/74/29/304807429.db2.gz GTYGZLVINQUQJX-FZKCQIBNSA-N 1 0 286.375 3.304 20 5 CGBDRO Cc1cnccc1CC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000565418711 322077096 /nfs/dbraw/zinc/07/70/96/322077096.db2.gz DHYASZKCWBGFKS-UHFFFAOYSA-N 1 0 299.374 3.015 20 5 CGBDRO CC(C)[C@@H]1CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000568121689 322194346 /nfs/dbraw/zinc/19/43/46/322194346.db2.gz IUUNXKKNPGUTJK-VSKVDJIOSA-N 1 0 260.337 3.338 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000568436735 322209096 /nfs/dbraw/zinc/20/90/96/322209096.db2.gz AUNHVXVDSRHQFD-VAZNYKRKSA-N 1 0 278.327 3.478 20 5 CGBDRO CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000569908175 322260402 /nfs/dbraw/zinc/26/04/02/322260402.db2.gz IQYVBBXSWNDGEW-SOUVJXGZSA-N 1 0 290.363 3.084 20 5 CGBDRO CC(C)[C@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570076790 322264367 /nfs/dbraw/zinc/26/43/67/322264367.db2.gz IPZKQEHLVGXNMR-NSHDSACASA-N 1 0 275.352 3.253 20 5 CGBDRO CCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCO ZINC000571091467 322289535 /nfs/dbraw/zinc/28/95/35/322289535.db2.gz XPXCYTDHQWJJGS-TWGQIWQCSA-N 1 0 292.379 3.093 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000571375384 322296963 /nfs/dbraw/zinc/29/69/63/322296963.db2.gz MCNFJXPFJLDXHF-TZMCWYRMSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H](c3cccnc3)C2)cccc1[N+](=O)[O-] ZINC000571877767 322310292 /nfs/dbraw/zinc/31/02/92/322310292.db2.gz HLZBKJLUSNMLIX-INIZCTEOSA-N 1 0 297.358 3.288 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@H]1CCCCO1 ZINC000573741429 322404844 /nfs/dbraw/zinc/40/48/44/322404844.db2.gz IPAKSCOSUYNBEF-DOMZBBRYSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[C@H](C)O1 ZINC000575816215 322491119 /nfs/dbraw/zinc/49/11/19/322491119.db2.gz NKFHQTRHJNXNHE-OXIQGZBJSA-N 1 0 290.363 3.128 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000576132262 335158894 /nfs/dbraw/zinc/15/88/94/335158894.db2.gz NIQOULHFBIJTBR-BAESOJJISA-N 1 0 292.379 3.305 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CC12CC2 ZINC000579814737 335891080 /nfs/dbraw/zinc/89/10/80/335891080.db2.gz DELKLFMCIVACKW-RYUDHWBXSA-N 1 0 260.337 3.354 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000581201030 336024012 /nfs/dbraw/zinc/02/40/12/336024012.db2.gz WRSYYQUCCLQSOD-JMSVASOKSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)cccc1[N+](=O)[O-] ZINC000423243014 533943109 /nfs/dbraw/zinc/94/31/09/533943109.db2.gz MNJOONDSKAGNPO-CZUORRHYSA-N 1 0 299.374 3.254 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000436403370 534189651 /nfs/dbraw/zinc/18/96/51/534189651.db2.gz AJEHFAYVXAKGOQ-UDGJJRABSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000362439878 534218224 /nfs/dbraw/zinc/21/82/24/534218224.db2.gz PWTJKYMNGLDLLJ-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000449259756 534254340 /nfs/dbraw/zinc/25/43/40/534254340.db2.gz SMYLWFZBMMFLKW-JSGCOSHPSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(C)CC1 ZINC000449296273 534254550 /nfs/dbraw/zinc/25/45/50/534254550.db2.gz YJHFAKMCMAUXAS-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@H](NCC[N@H+](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000156625507 522589476 /nfs/dbraw/zinc/58/94/76/522589476.db2.gz WPSYVENKKODECF-INIZCTEOSA-N 1 0 293.411 3.366 20 5 CGBDRO COc1ccc(C[NH2+]CC23CCC(CC2)C3)cc1[N+](=O)[O-] ZINC000339796861 524069822 /nfs/dbraw/zinc/06/98/22/524069822.db2.gz YPFRJRSZIBKARF-UHFFFAOYSA-N 1 0 290.363 3.273 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccco1 ZINC000062726297 525368754 /nfs/dbraw/zinc/36/87/54/525368754.db2.gz PRMAJEGSGIUYHG-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177763 527831202 /nfs/dbraw/zinc/83/12/02/527831202.db2.gz TVHXTNPRHYFJSB-BZPMIXESSA-N 1 0 262.353 3.304 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000414150912 528086453 /nfs/dbraw/zinc/08/64/53/528086453.db2.gz VQKGJOXZXCXMSR-KYOSRNDESA-N 1 0 278.352 3.201 20 5 CGBDRO CC[C@@H](C)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000451819803 535566285 /nfs/dbraw/zinc/56/62/85/535566285.db2.gz BMXHISSYWAVGDQ-KGLIPLIRSA-N 1 0 291.395 3.072 20 5 CGBDRO CCO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000451523491 535634349 /nfs/dbraw/zinc/63/43/49/535634349.db2.gz JOEIFRJZTQVRLJ-WBMJQRKESA-N 1 0 292.379 3.150 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191825085 535809230 /nfs/dbraw/zinc/80/92/30/535809230.db2.gz QHOPXOUCYGIIMD-GLQYFDAESA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](COc1ccccc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000728782503 571820696 /nfs/dbraw/zinc/82/06/96/571820696.db2.gz RWOUEBKEZISRFX-CYBMUJFWSA-N 1 0 286.331 3.152 20 5 CGBDRO C[C@H](COc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000748820779 572986217 /nfs/dbraw/zinc/98/62/17/572986217.db2.gz UCXPCBCIEBVWIN-CYBMUJFWSA-N 1 0 286.331 3.152 20 5 CGBDRO CSCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468069 618502136 /nfs/dbraw/zinc/50/21/36/618502136.db2.gz KLWISXVGUBNICJ-GHMZBOCLSA-N 1 0 268.382 3.387 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000934398491 618617168 /nfs/dbraw/zinc/61/71/68/618617168.db2.gz VPLSUHBQCVUITD-DOMZBBRYSA-N 1 0 290.363 3.347 20 5 CGBDRO CC(C)Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000893327652 619098986 /nfs/dbraw/zinc/09/89/86/619098986.db2.gz DJAKYPZXAZJATP-UHFFFAOYSA-N 1 0 299.374 3.478 20 5 CGBDRO CC(C)(C)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000313485286 619175771 /nfs/dbraw/zinc/17/57/71/619175771.db2.gz UUZFERFMLFQKFB-CQSZACIVSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690891 619278139 /nfs/dbraw/zinc/27/81/39/619278139.db2.gz XMVYIQOPOWJBRT-QWHCGFSZSA-N 1 0 294.399 3.204 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000072727631 625344468 /nfs/dbraw/zinc/34/44/68/625344468.db2.gz OVFWXDALWNRJLT-SNVBAGLBSA-N 1 0 291.738 3.494 20 5 CGBDRO Cc1c(C[NH2+]CCc2ccsc2)cccc1[N+](=O)[O-] ZINC000048348522 619485427 /nfs/dbraw/zinc/48/54/27/619485427.db2.gz IPRQECYXSICZAI-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CCCF ZINC000895895851 619904517 /nfs/dbraw/zinc/90/45/17/619904517.db2.gz GFRUHAXQOSSCGY-UHFFFAOYSA-N 1 0 254.305 3.003 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897458933 620339587 /nfs/dbraw/zinc/33/95/87/620339587.db2.gz GHPWXTJOBLGHDS-FZMZJTMJSA-N 1 0 262.353 3.477 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897464319 620339856 /nfs/dbraw/zinc/33/98/56/620339856.db2.gz LARHGFGQMHFESV-MGPQQGTHSA-N 1 0 292.379 3.246 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000897465043 620340474 /nfs/dbraw/zinc/34/04/74/620340474.db2.gz RHJWBVJPKUGWLO-MELADBBJSA-N 1 0 292.379 3.246 20 5 CGBDRO CCc1nocc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464666 620340645 /nfs/dbraw/zinc/34/06/45/620340645.db2.gz NVIHWQKIRNECNX-LLVKDONJSA-N 1 0 289.335 3.039 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897465021 620340688 /nfs/dbraw/zinc/34/06/88/620340688.db2.gz QKVNRYMRYSJUQU-UTUOFQBUSA-N 1 0 280.393 3.182 20 5 CGBDRO C[C@@H](C[NH2+]C1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000897466374 620340944 /nfs/dbraw/zinc/34/09/44/620340944.db2.gz SOIQLILRHDKSPC-ZDUSSCGKSA-N 1 0 296.370 3.455 20 5 CGBDRO Cc1csc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897469120 620341545 /nfs/dbraw/zinc/34/15/45/620341545.db2.gz DLDXCDZXHVPGFY-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925313409 620398067 /nfs/dbraw/zinc/39/80/67/620398067.db2.gz MUHZEWFKWFZUMG-HIFRSBDPSA-N 1 0 280.368 3.014 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]4CCC[C@@H]43)nc2c1 ZINC000897958066 620455961 /nfs/dbraw/zinc/45/59/61/620455961.db2.gz GZHQZQSFBFTUPA-ADEWGFFLSA-N 1 0 287.319 3.014 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000927014598 620561101 /nfs/dbraw/zinc/56/11/01/620561101.db2.gz PAQZHZYWFLNPQD-IAQYHMDHSA-N 1 0 296.342 3.344 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000901669044 620975218 /nfs/dbraw/zinc/97/52/18/620975218.db2.gz GFJAJJAQMPGJJD-QMGNLALYSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000042555313 621177562 /nfs/dbraw/zinc/17/75/62/621177562.db2.gz MDDWBFVJPPNZKK-ZJUUUORDSA-N 1 0 254.305 3.258 20 5 CGBDRO CNc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000902654040 621393983 /nfs/dbraw/zinc/39/39/83/621393983.db2.gz XPNZUUKGJMNCEA-GFCCVEGCSA-N 1 0 285.347 3.487 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC2CCC2)cc([N+](=O)[O-])c1 ZINC000903078391 621559229 /nfs/dbraw/zinc/55/92/29/621559229.db2.gz GZKLALVORJPROL-JTQLQIEISA-N 1 0 264.325 3.054 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CCCSC2)cc([N+](=O)[O-])c1 ZINC000903103818 621576136 /nfs/dbraw/zinc/57/61/36/621576136.db2.gz AJUPXWBRUQAISK-CMPLNLGQSA-N 1 0 296.392 3.150 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000903120827 621588304 /nfs/dbraw/zinc/58/83/04/621588304.db2.gz OXKCBFKXFGQTMH-JKSUJKDBSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903164269 621609525 /nfs/dbraw/zinc/60/95/25/621609525.db2.gz KOBHMHPKBIGMTN-MNOVXSKESA-N 1 0 296.392 3.007 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCS[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903193547 621621066 /nfs/dbraw/zinc/62/10/66/621621066.db2.gz FRUITXKNSSDAMU-BHDSKKPTSA-N 1 0 296.392 3.148 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245144 621637025 /nfs/dbraw/zinc/63/70/25/621637025.db2.gz IULCKNUHDKAGRP-WDEREUQCSA-N 1 0 288.351 3.081 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287435 621670807 /nfs/dbraw/zinc/67/08/07/621670807.db2.gz PCIXSYFLRKAETI-IVMMDQJWSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[C@H]([NH2+]C1CC(CCO)C1)c1cccc([N+](=O)[O-])c1 ZINC000903327933 621702404 /nfs/dbraw/zinc/70/24/04/621702404.db2.gz BMPFCEIMLMKBGR-PXCJXSSVSA-N 1 0 292.379 3.187 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903329645 621703324 /nfs/dbraw/zinc/70/33/24/621703324.db2.gz CAPDXQJAZHZXSV-ABAIWWIYSA-N 1 0 292.379 3.375 20 5 CGBDRO CCC[C@@H](C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905423968 622073186 /nfs/dbraw/zinc/07/31/86/622073186.db2.gz ZUPAHXMDEJQGJI-DOMZBBRYSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1c(C[NH2+]CCCCOC(C)C)cccc1[N+](=O)[O-] ZINC000225183070 622898390 /nfs/dbraw/zinc/89/83/90/622898390.db2.gz YTPLXEMJCAZLEE-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO CC(C)C[NH+](CC(C)C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000062351173 623225211 /nfs/dbraw/zinc/22/52/11/623225211.db2.gz DWLDGJDBQJEGDL-INIZCTEOSA-N 1 0 294.395 3.242 20 5 CGBDRO Cc1cccc(OCC[C@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000915664551 624019690 /nfs/dbraw/zinc/01/96/90/624019690.db2.gz MIRLCTOLQDXXCT-CYBMUJFWSA-N 1 0 278.352 3.156 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154361134 624260784 /nfs/dbraw/zinc/26/07/84/624260784.db2.gz CVIOWJJXELZVET-WWGRRREGSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000091661541 625879094 /nfs/dbraw/zinc/87/90/94/625879094.db2.gz SKJHOBNFLFNZEF-HNNXBMFYSA-N 1 0 283.331 3.157 20 5 CGBDRO CS[C@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000921939704 625939007 /nfs/dbraw/zinc/93/90/07/625939007.db2.gz FASILEKSFVFJGY-ZFWWWQNUSA-N 1 0 294.420 3.401 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)c(F)c1 ZINC000922730139 626040084 /nfs/dbraw/zinc/04/00/84/626040084.db2.gz BEMZMHKJBUSBGB-WCBMZHEXSA-N 1 0 292.232 3.022 20 5 CGBDRO C[C@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCO1 ZINC000922816213 626050528 /nfs/dbraw/zinc/05/05/28/626050528.db2.gz HMZAUCWRBRPWPG-IQIBNGDESA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCS[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000922834989 626053120 /nfs/dbraw/zinc/05/31/20/626053120.db2.gz XFQLZSURLUUDSA-GWCFXTLKSA-N 1 0 280.393 3.277 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000922836052 626053674 /nfs/dbraw/zinc/05/36/74/626053674.db2.gz HXGNCODFIOJKCL-GXSJLCMTSA-N 1 0 284.356 3.108 20 5 CGBDRO COC/C(C)=C\C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000929337071 626087838 /nfs/dbraw/zinc/08/78/38/626087838.db2.gz AADJFSPVKCCFDM-ZROIWOOFSA-N 1 0 292.379 3.398 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2nc(Cl)cs2)cc1 ZINC000759188460 626879101 /nfs/dbraw/zinc/87/91/01/626879101.db2.gz ASPBKMBHIURMSY-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO CCc1cc(C[NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000766000551 627285515 /nfs/dbraw/zinc/28/55/15/627285515.db2.gz FHXAKHDIVIFKIK-HNNXBMFYSA-N 1 0 288.351 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000766478314 627335805 /nfs/dbraw/zinc/33/58/05/627335805.db2.gz ISLIHUSMOWAUAM-VEAWUBTESA-N 1 0 292.379 3.247 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278253 628188458 /nfs/dbraw/zinc/18/84/58/628188458.db2.gz SQUIRAHMFBMRKX-UHOFOFEASA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@H+](C2CC2)C2CCCC2)cc1 ZINC000776581545 628221402 /nfs/dbraw/zinc/22/14/02/628221402.db2.gz FBVNDHRICJPHAX-MRXNPFEDSA-N 1 0 290.363 3.035 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cnn(C[NH+]3C4CCC3CC4)c2)c1 ZINC000777951227 628314213 /nfs/dbraw/zinc/31/42/13/628314213.db2.gz IPXNDTGHNBRXFE-UHFFFAOYSA-N 1 0 298.346 3.043 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000783637066 628733874 /nfs/dbraw/zinc/73/38/74/628733874.db2.gz CMLQRIRDMKUHAG-QWHCGFSZSA-N 1 0 298.770 3.151 20 5 CGBDRO CCCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788496930 629059319 /nfs/dbraw/zinc/05/93/19/629059319.db2.gz CIJQDKLRCMGDTK-NSHDSACASA-N 1 0 265.357 3.408 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788602451 629068274 /nfs/dbraw/zinc/06/82/74/629068274.db2.gz NQRNNYJHEWFFEW-AAEUAGOBSA-N 1 0 295.383 3.033 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C1CC1 ZINC000865513527 630162760 /nfs/dbraw/zinc/16/27/60/630162760.db2.gz ZJADBDNVHGHUMC-ZDUSSCGKSA-N 1 0 299.321 3.285 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H]1CCCS1 ZINC000865724694 630476620 /nfs/dbraw/zinc/47/66/20/630476620.db2.gz DAMRQVSWKXWKFF-ZRFDWSJLSA-N 1 0 292.404 3.483 20 5 CGBDRO C[NH+](C)CC1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804357047 630523289 /nfs/dbraw/zinc/52/32/89/630523289.db2.gz VXOZBOQXZGHZRI-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC=CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815567437 631797015 /nfs/dbraw/zinc/79/70/15/631797015.db2.gz YCHWHPJRAOQJEG-NWDGAFQWSA-N 1 0 275.352 3.184 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588806 631802224 /nfs/dbraw/zinc/80/22/24/631802224.db2.gz ZMFIOGZQBWJHCX-MISXGVKJSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600589 631804189 /nfs/dbraw/zinc/80/41/89/631804189.db2.gz YBQSHOSZDCKYDS-ZYHUDNBSSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@H]([NH2+]C1CCC(F)(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599482 631804877 /nfs/dbraw/zinc/80/48/77/631804877.db2.gz UJGAOOIXGPMRFR-VIFPVBQESA-N 1 0 299.321 3.406 20 5 CGBDRO C[C@H]([NH2+]CCC1(F)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627211 631808731 /nfs/dbraw/zinc/80/87/31/631808731.db2.gz WPDRELBVOZYPEK-JTQLQIEISA-N 1 0 281.331 3.110 20 5 CGBDRO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819087852 632376555 /nfs/dbraw/zinc/37/65/55/632376555.db2.gz PILSHISWKXUUFM-WFASDCNBSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819115757 632381971 /nfs/dbraw/zinc/38/19/71/632381971.db2.gz OZQQPLDKVBOOSN-ZOWXZIJZSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc(F)nc2C)cc1[N+](=O)[O-] ZINC000865787670 632891704 /nfs/dbraw/zinc/89/17/04/632891704.db2.gz QRYDBGFBXBMYEH-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCSCC1 ZINC000866293052 633068312 /nfs/dbraw/zinc/06/83/12/633068312.db2.gz BJHMRGIIIQLTOI-SNVBAGLBSA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CSC[C@@H]1C ZINC000866360080 633100337 /nfs/dbraw/zinc/10/03/37/633100337.db2.gz XCSSFCZOLFJCKU-OPQQBVKSSA-N 1 0 298.383 3.006 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000866373750 633109720 /nfs/dbraw/zinc/10/97/20/633109720.db2.gz RLXMHQABXREMDV-JLUCKKNBSA-N 1 0 292.354 3.443 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000866504999 633165029 /nfs/dbraw/zinc/16/50/29/633165029.db2.gz RHOXLFDTWBDMAX-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000866635995 633224735 /nfs/dbraw/zinc/22/47/35/633224735.db2.gz VXQWEYULSOOXPM-VNHYZAJKSA-N 1 0 294.395 3.055 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000871931755 633919315 /nfs/dbraw/zinc/91/93/15/633919315.db2.gz KDIUDZFQANVKAF-DLKVLKDVSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016350 633936820 /nfs/dbraw/zinc/93/68/20/633936820.db2.gz JBNQVPUPJXRDPD-VIFPVBQESA-N 1 0 254.355 3.377 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033609 633951501 /nfs/dbraw/zinc/95/15/01/633951501.db2.gz CPTOWEOYWVGVEN-HZMBPMFUSA-N 1 0 298.358 3.182 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCOC1 ZINC000872034904 633954662 /nfs/dbraw/zinc/95/46/62/633954662.db2.gz RKTKQDXMVWZIMN-MNOVXSKESA-N 1 0 296.392 3.146 20 5 CGBDRO C[C@H]([NH2+]CCc1ccncc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872043143 633965765 /nfs/dbraw/zinc/96/57/65/633965765.db2.gz GFIPMTCAMCBJPW-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@H]([NH2+]C1CC(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047918 633970631 /nfs/dbraw/zinc/97/06/31/633970631.db2.gz GXGOWXSTWFTTBA-KYHHOPLUSA-N 1 0 252.289 3.183 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051335 633974985 /nfs/dbraw/zinc/97/49/85/633974985.db2.gz JFRIHMZARIDVNC-MNOVXSKESA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052346 633976172 /nfs/dbraw/zinc/97/61/72/633976172.db2.gz CKZMMGLXLOMCQT-MXWKQRLJSA-N 1 0 296.342 3.341 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1c(F)cccc1[N+](=O)[O-] ZINC000872077429 634000339 /nfs/dbraw/zinc/00/03/39/634000339.db2.gz IEJSIZNQURLQCZ-SNVBAGLBSA-N 1 0 298.358 3.182 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872090741 634015893 /nfs/dbraw/zinc/01/58/93/634015893.db2.gz DDTHUCBFYNRESX-GJZGRUSLSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124189455 634182713 /nfs/dbraw/zinc/18/27/13/634182713.db2.gz HZGNUFYFZXRASH-MWLCHTKSSA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1c(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873104060 634247042 /nfs/dbraw/zinc/24/70/42/634247042.db2.gz IINASRMXYSEDTR-OCCSQVGLSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCOC1(C)C ZINC000873138530 634257517 /nfs/dbraw/zinc/25/75/17/634257517.db2.gz IEESXQWPDVHJSK-CYBMUJFWSA-N 1 0 292.379 3.116 20 5 CGBDRO CC(C)OC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000873166498 634268432 /nfs/dbraw/zinc/26/84/32/634268432.db2.gz DOUZSOHMGIXKNS-UHFFFAOYSA-N 1 0 278.352 3.032 20 5 CGBDRO CCCCC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876906016 634926446 /nfs/dbraw/zinc/92/64/46/634926446.db2.gz OJWUXWBPBVAIMY-HIFPTAJRSA-N 1 0 280.372 3.053 20 5 CGBDRO CCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877563198 635092147 /nfs/dbraw/zinc/09/21/47/635092147.db2.gz IMYCXPHPLRTOLB-YIZWMMSDSA-N 1 0 294.399 3.299 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843435880 635676099 /nfs/dbraw/zinc/67/60/99/635676099.db2.gz ZHBREEBIWWJDBI-KWQFWETISA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843435877 635676222 /nfs/dbraw/zinc/67/62/22/635676222.db2.gz ZHBREEBIWWJDBI-GZMMTYOYSA-N 1 0 286.784 3.232 20 5 CGBDRO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000879410317 635781156 /nfs/dbraw/zinc/78/11/56/635781156.db2.gz QSUCBJNJTSGXGR-AWEZNQCLSA-N 1 0 296.342 3.171 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000879699396 635838230 /nfs/dbraw/zinc/83/82/30/635838230.db2.gz PGIYSVCAMSGQAS-UHFFFAOYSA-N 1 0 298.358 3.153 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CF)C1 ZINC000880232110 635944602 /nfs/dbraw/zinc/94/46/02/635944602.db2.gz GXLTUGSHVZIFNL-RYUDHWBXSA-N 1 0 266.316 3.337 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000847077539 636329991 /nfs/dbraw/zinc/32/99/91/636329991.db2.gz GXOHUHYTXUCSQK-HIFRSBDPSA-N 1 0 296.342 3.171 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000883245622 636613991 /nfs/dbraw/zinc/61/39/91/636613991.db2.gz OMTHPLISOVTPQQ-WDEREUQCSA-N 1 0 264.300 3.351 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000850530312 637107803 /nfs/dbraw/zinc/10/78/03/637107803.db2.gz XBIBQCROLVMGEA-JECHBYEQSA-N 1 0 298.342 3.424 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850540117 637113323 /nfs/dbraw/zinc/11/33/23/637113323.db2.gz KSIONDAYPFYUNF-ZANVPECISA-N 1 0 263.341 3.016 20 5 CGBDRO CCC1([NH+]2CCC2)CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000884719129 637135982 /nfs/dbraw/zinc/13/59/82/637135982.db2.gz ZWYFQLPKWVXFAC-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885969375 637337763 /nfs/dbraw/zinc/33/77/63/637337763.db2.gz QBMGEHFBLXNHEX-ZBFHGGJFSA-N 1 0 292.379 3.075 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000886001584 637352370 /nfs/dbraw/zinc/35/23/70/637352370.db2.gz DDEVKGBYGQUWCM-LSDHHAIUSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])s1 ZINC000886127546 637427577 /nfs/dbraw/zinc/42/75/77/637427577.db2.gz MOKNAQFMJBGNEQ-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886179417 637450258 /nfs/dbraw/zinc/45/02/58/637450258.db2.gz VMOBLZVHHIZGOX-HUUCEWRRSA-N 1 0 292.379 3.341 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](C2CCC2)C1 ZINC000886285597 637483523 /nfs/dbraw/zinc/48/35/23/637483523.db2.gz NHHHGOMRCOKNEC-CYBMUJFWSA-N 1 0 275.352 3.002 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852592012 637684583 /nfs/dbraw/zinc/68/45/83/637684583.db2.gz FRZNWSIQUNDRMV-XJKCOSOUSA-N 1 0 292.379 3.139 20 5 CGBDRO COc1cc(C[NH2+]C2(C3CC3)CCC2)c([N+](=O)[O-])cc1F ZINC000887147630 637762556 /nfs/dbraw/zinc/76/25/56/637762556.db2.gz VBEAJOMPSWSVOV-UHFFFAOYSA-N 1 0 294.326 3.165 20 5 CGBDRO CC1(C)CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000112695343 638109077 /nfs/dbraw/zinc/10/90/77/638109077.db2.gz DPVVPAZSJBWONG-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO CC[C@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH3+])(CC)CC1 ZINC000925757637 638599341 /nfs/dbraw/zinc/59/93/41/638599341.db2.gz VBSNICALWPMFCW-OAHLLOKOSA-N 1 0 291.395 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000934686520 639657505 /nfs/dbraw/zinc/65/75/05/639657505.db2.gz LJOWLLXZRUBAHF-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO CC1(C)C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCC[C@@H]21 ZINC000934759394 639672545 /nfs/dbraw/zinc/67/25/45/639672545.db2.gz VUUYOJHYHPZASY-QWHCGFSZSA-N 1 0 275.352 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1CN1CCc2ccccc2C1 ZINC000047540413 640019052 /nfs/dbraw/zinc/01/90/52/640019052.db2.gz MVRPHFZNMSGWRG-UHFFFAOYSA-N 1 0 286.306 3.292 20 5 CGBDRO C[C@@H]1[C@@H]([NH3+])CCCN1c1ccc2ccc3cccnc3c2n1 ZINC001157731708 805857804 /nfs/dbraw/zinc/85/78/04/805857804.db2.gz FFAVYBOFFFYFPO-DOMZBBRYSA-N 1 0 292.386 3.099 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001254553499 806449824 /nfs/dbraw/zinc/44/98/24/806449824.db2.gz WDWGFTPXPDJBPQ-UHTWSYAYSA-N 1 0 296.317 3.113 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254572805 806454211 /nfs/dbraw/zinc/45/42/11/806454211.db2.gz SISADODYTDWBCF-GXFFZTMASA-N 1 0 262.353 3.086 20 5 CGBDRO CC(C)(C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)CC1CC1 ZINC001254586202 806455576 /nfs/dbraw/zinc/45/55/76/806455576.db2.gz IHXHDMGIDIKFMA-OAHLLOKOSA-N 1 0 288.391 3.478 20 5 CGBDRO C[N@H+](CC(C)(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600691 806458180 /nfs/dbraw/zinc/45/81/80/806458180.db2.gz QSGDFMSYVFVVBA-AWEZNQCLSA-N 1 0 262.353 3.040 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162395998 806574450 /nfs/dbraw/zinc/57/44/50/806574450.db2.gz HORIQSROQDTIGW-CHWSQXEVSA-N 1 0 277.368 3.202 20 5 CGBDRO CC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037110110 798859036 /nfs/dbraw/zinc/85/90/36/798859036.db2.gz LXHJSXQNKASXTK-SECBINFHSA-N 1 0 256.733 3.479 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc(Cl)n1 ZINC000401880999 799557775 /nfs/dbraw/zinc/55/77/75/799557775.db2.gz ICELJAPQPBJDFB-UHFFFAOYSA-N 1 0 291.738 3.241 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)o1 ZINC000689805454 799769448 /nfs/dbraw/zinc/76/94/48/799769448.db2.gz FHFSXGZONGEDOI-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO CC[C@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000692807467 799800141 /nfs/dbraw/zinc/80/01/41/799800141.db2.gz SVUAPKFEPWNHLR-LBPRGKRZSA-N 1 0 298.433 3.442 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000692868435 799801696 /nfs/dbraw/zinc/80/16/96/799801696.db2.gz PJGHRPHQFOHATR-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701023463 799882992 /nfs/dbraw/zinc/88/29/92/799882992.db2.gz CTGMERLLDJEAHU-QOBXEIRBSA-N 1 0 298.770 3.150 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000702003374 799902713 /nfs/dbraw/zinc/90/27/13/799902713.db2.gz LCKXEUSFKVAIFF-OASPWFOLSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H](F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000702646242 799912446 /nfs/dbraw/zinc/91/24/46/799912446.db2.gz WSZCJQOAZYYKEK-QMMMGPOBSA-N 1 0 260.696 3.086 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001163711360 806806556 /nfs/dbraw/zinc/80/65/56/806806556.db2.gz LSZVTFUOICLKCK-NSHDSACASA-N 1 0 295.358 3.327 20 5 CGBDRO C[C@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000719597921 800244324 /nfs/dbraw/zinc/24/43/24/800244324.db2.gz GBLVTHHFBLTRDO-GZMMTYOYSA-N 1 0 285.294 3.037 20 5 CGBDRO Cc1ccc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116190459 802309193 /nfs/dbraw/zinc/30/91/93/802309193.db2.gz NQAMZXGLPIFUNC-OCCSQVGLSA-N 1 0 277.368 3.188 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H]1CCCCO1 ZINC001165230117 806978966 /nfs/dbraw/zinc/97/89/66/806978966.db2.gz RCEJIBWMFZIJSC-INIZCTEOSA-N 1 0 277.432 3.264 20 5 CGBDRO CC(C)([NH2+]Cc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC001116593323 802382960 /nfs/dbraw/zinc/38/29/60/802382960.db2.gz YHLJNYPISLUWHS-UHFFFAOYSA-N 1 0 260.293 3.213 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC3CCC2CC3)cc1 ZINC001119305107 802645781 /nfs/dbraw/zinc/64/57/81/802645781.db2.gz BOXLNUSCERRZKR-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NCC[C@@H]2CCC[N@@H+](C)C2)c1F ZINC001165290195 806989557 /nfs/dbraw/zinc/98/95/57/806989557.db2.gz QAWSFELLPHACKQ-LBPRGKRZSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165300346 806990397 /nfs/dbraw/zinc/99/03/97/806990397.db2.gz MIQAVSLWVMORHM-GFCCVEGCSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168956205 807541851 /nfs/dbraw/zinc/54/18/51/807541851.db2.gz AHMLDAOKADBEEE-GUTXKFCHSA-N 1 0 262.353 3.091 20 5 CGBDRO CC(C)Oc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168966569 807542724 /nfs/dbraw/zinc/54/27/24/807542724.db2.gz JNLGOEWAMWXCAE-GJZGRUSLSA-N 1 0 292.379 3.009 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCC2)C1 ZINC001168968426 807543931 /nfs/dbraw/zinc/54/39/31/807543931.db2.gz YYHBHHBBQADZIX-GOEBONIOSA-N 1 0 288.391 3.491 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC001168975815 807544815 /nfs/dbraw/zinc/54/48/15/807544815.db2.gz XHYZHTDGIOBNKS-NWDGAFQWSA-N 1 0 294.782 3.364 20 5 CGBDRO CCCCCC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978034 807545371 /nfs/dbraw/zinc/54/53/71/807545371.db2.gz NWGZVFPZBVCYGY-OLZOCXBDSA-N 1 0 256.390 3.380 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001168978053 807545761 /nfs/dbraw/zinc/54/57/61/807545761.db2.gz NWXJVEJBZQZPRZ-BMFZPTHFSA-N 1 0 276.380 3.481 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC(C)(C)C1 ZINC001168978415 807545959 /nfs/dbraw/zinc/54/59/59/807545959.db2.gz RXKAJUUXGWDEES-RQJABVFESA-N 1 0 268.401 3.236 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001168986747 807546879 /nfs/dbraw/zinc/54/68/79/807546879.db2.gz YYQLRPCGVXNPHF-JRPNMDOOSA-N 1 0 294.782 3.362 20 5 CGBDRO Cc1cccc(C(C)(C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168995189 807549149 /nfs/dbraw/zinc/54/91/49/807549149.db2.gz RXCVJIOCKQGVKC-UKRRQHHQSA-N 1 0 276.380 3.265 20 5 CGBDRO CC(C)(Cc1cccc(F)c1)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168999027 807549177 /nfs/dbraw/zinc/54/91/77/807549177.db2.gz RAJCALHAMCMRTH-UKRRQHHQSA-N 1 0 294.370 3.182 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168998466 807549492 /nfs/dbraw/zinc/54/94/92/807549492.db2.gz NIVLHTPDBZYMMY-VNHYZAJKSA-N 1 0 292.379 3.181 20 5 CGBDRO CCCCCC[C@@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005415 807550535 /nfs/dbraw/zinc/55/05/35/807550535.db2.gz UDLMGARAMHJRTP-HZSPNIEDSA-N 1 0 256.390 3.380 20 5 CGBDRO CCC(CC)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170293503 807819255 /nfs/dbraw/zinc/81/92/55/807819255.db2.gz MCVOQHVUECMKMZ-NSHDSACASA-N 1 0 280.368 3.313 20 5 CGBDRO CC[C@H](C)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170293099 807819404 /nfs/dbraw/zinc/81/94/04/807819404.db2.gz KOHXMWMQUDYVFU-RYUDHWBXSA-N 1 0 280.368 3.170 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328291 807825965 /nfs/dbraw/zinc/82/59/65/807825965.db2.gz IXQRBLOZILYMTN-OLZOCXBDSA-N 1 0 292.379 3.266 20 5 CGBDRO COc1ccc(C[C@H](C)[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC001170329813 807826620 /nfs/dbraw/zinc/82/66/20/807826620.db2.gz VBMBCFSJFFPVCF-LBPRGKRZSA-N 1 0 278.352 3.020 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329402 807826962 /nfs/dbraw/zinc/82/69/62/807826962.db2.gz QDKVEXZUDOSMSC-NEPJUHHUSA-N 1 0 278.352 3.019 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170327688 807827000 /nfs/dbraw/zinc/82/70/00/807827000.db2.gz HBVXZNITZFSWOT-LBPRGKRZSA-N 1 0 292.379 3.409 20 5 CGBDRO COc1ccc(C[C@H](C)[N@H+](C)C2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327604 807827115 /nfs/dbraw/zinc/82/71/15/807827115.db2.gz GTJIEOJKODFXNX-LXVYMNJGSA-N 1 0 292.379 3.265 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895788 808475013 /nfs/dbraw/zinc/47/50/13/808475013.db2.gz IYFZULRIJGGMDA-UGFHNGPFSA-N 1 0 274.364 3.088 20 5 CGBDRO C[C@@H]1C[C@@H](F)C[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904778 808476018 /nfs/dbraw/zinc/47/60/18/808476018.db2.gz AMEJTSCBLCMJOX-KCPJHIHWSA-N 1 0 292.354 3.275 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CC=CC1)CC2 ZINC001172898148 808476065 /nfs/dbraw/zinc/47/60/65/808476065.db2.gz GXJMGOIUCMRBAJ-OAHLLOKOSA-N 1 0 272.348 3.150 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC(C(F)F)C1)CC2 ZINC001172913265 808477101 /nfs/dbraw/zinc/47/71/01/808477101.db2.gz QITTVXFIKPSVTM-CYBMUJFWSA-N 1 0 296.317 3.039 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H]3C[C@@H]31)CC2 ZINC001172919310 808479890 /nfs/dbraw/zinc/47/98/90/808479890.db2.gz FRLSCYIBMNRCOT-INMHGKMJSA-N 1 0 286.375 3.327 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC(C)C)c1F ZINC001173176126 808533632 /nfs/dbraw/zinc/53/36/32/808533632.db2.gz YFOHGFZXXBOCJR-NSHDSACASA-N 1 0 298.358 3.309 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC(F)(F)C1 ZINC001173210470 808537228 /nfs/dbraw/zinc/53/72/28/808537228.db2.gz LEJTULKJJYAUOL-ZYHUDNBSSA-N 1 0 284.306 3.303 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC001173226501 808541036 /nfs/dbraw/zinc/54/10/36/808541036.db2.gz MFCJULCRWFIWBS-QWHCGFSZSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@@H]1CCCCO1 ZINC001173226109 808541427 /nfs/dbraw/zinc/54/14/27/808541427.db2.gz HQUHOGLQMFGUKT-CJNGLKHVSA-N 1 0 292.379 3.027 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231620 808543671 /nfs/dbraw/zinc/54/36/71/808543671.db2.gz BJNXAZYKQSTEQX-NEPJUHHUSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001181554419 810059234 /nfs/dbraw/zinc/05/92/34/810059234.db2.gz CQLVRERNTWJELL-LBPRGKRZSA-N 1 0 279.384 3.042 20 5 CGBDRO C[NH+](C)C1(CNc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC001184536444 810208059 /nfs/dbraw/zinc/20/80/59/810208059.db2.gz QIVXFBCYRYVEGJ-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO CC1(C)CCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC001186681300 810356733 /nfs/dbraw/zinc/35/67/33/810356733.db2.gz QAEIJIUVTWNTNU-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218037979 816068843 /nfs/dbraw/zinc/06/88/43/816068843.db2.gz VASAGFMOYDIXQY-HTRCEHHLSA-N 1 0 291.134 3.031 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090981 816092489 /nfs/dbraw/zinc/09/24/89/816092489.db2.gz JOYGXUPVDOYKFD-CVEARBPZSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)c2ccccc21 ZINC001218113477 816101598 /nfs/dbraw/zinc/10/15/98/816101598.db2.gz AEHDZIOJBCVVNF-IRXDYDNUSA-N 1 0 298.342 3.269 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218144210 816112739 /nfs/dbraw/zinc/11/27/39/816112739.db2.gz LEHURTBQTDRNNL-SUZMYJTESA-N 1 0 296.754 3.015 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218254815 816142810 /nfs/dbraw/zinc/14/28/10/816142810.db2.gz AYGPJQKOVXUCKG-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])cc1Cl ZINC001218402745 816195578 /nfs/dbraw/zinc/19/55/78/816195578.db2.gz VDOXMAKDYDUFNK-UWVGGRQHSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@@H](C)[NH2+]C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218408784 816200686 /nfs/dbraw/zinc/20/06/86/816200686.db2.gz SWNBROYWGOGYFL-ZWNOBZJWSA-N 1 0 278.352 3.039 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1CO[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001223538206 816647976 /nfs/dbraw/zinc/64/79/76/816647976.db2.gz ILIGNFRSVUQGIW-AWEZNQCLSA-N 1 0 292.379 3.293 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)OCc1cccc(C)c1[N+](=O)[O-] ZINC001223661485 816664092 /nfs/dbraw/zinc/66/40/92/816664092.db2.gz RCVFDWPHYLQRNM-CYBMUJFWSA-N 1 0 280.368 3.150 20 5 CGBDRO C[C@H](OC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224021618 816721537 /nfs/dbraw/zinc/72/15/37/816721537.db2.gz AUBCJXIBVUOFPZ-LBPRGKRZSA-N 1 0 290.363 3.299 20 5 CGBDRO Cc1cc(COCC[N+](C)(C)C)ccc1OC(C)C ZINC001224774590 816877675 /nfs/dbraw/zinc/87/76/75/816877675.db2.gz VATCCGRULLSDMK-UHFFFAOYSA-N 1 0 266.405 3.005 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001226447441 817359362 /nfs/dbraw/zinc/35/93/62/817359362.db2.gz VJEJSYWDJLOSJS-LLVKDONJSA-N 1 0 280.368 3.221 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc([N+](=O)[O-])ccc1Cl)C2 ZINC001226811352 817472373 /nfs/dbraw/zinc/47/23/73/817472373.db2.gz WWGFELNZTXKKDB-PEGIJTEDSA-N 1 0 296.754 3.252 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001226992164 817528748 /nfs/dbraw/zinc/52/87/48/817528748.db2.gz IWCNSLBRJFWZEQ-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Cl)c2ccccc12 ZINC001227172770 817579758 /nfs/dbraw/zinc/57/97/58/817579758.db2.gz HQLBRHOUCYHZMI-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001227214293 817594245 /nfs/dbraw/zinc/59/42/45/817594245.db2.gz JCZJKZHOJYBSKP-LLVKDONJSA-N 1 0 274.320 3.077 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)cc1C(C)(C)C ZINC001227440785 817649130 /nfs/dbraw/zinc/64/91/30/817649130.db2.gz OMHYHKWYZYLPNN-GFCCVEGCSA-O 1 0 266.405 3.163 20 5 CGBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C(C)(C)C)c1 ZINC001228031461 817789716 /nfs/dbraw/zinc/78/97/16/817789716.db2.gz OSOAAOAOFBCERM-ZDUSSCGKSA-N 1 0 280.432 3.466 20 5 CGBDRO CCCc1c(O)ccc(C(C)=O)c1O[C@@H](C)C[N+](C)(C)C ZINC001228134025 817819805 /nfs/dbraw/zinc/81/98/05/817819805.db2.gz LQGCVJOKYQSDIU-LBPRGKRZSA-O 1 0 294.415 3.021 20 5 CGBDRO CSc1nc2ccc(O[C@H](C)C[N+](C)(C)C)cc2s1 ZINC001231376293 818087827 /nfs/dbraw/zinc/08/78/27/818087827.db2.gz LVIPZAYVKQUUSW-SNVBAGLBSA-N 1 0 297.469 3.492 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)nc1Cl ZINC001234308111 818834462 /nfs/dbraw/zinc/83/44/62/818834462.db2.gz QFBPDGNNXBLBRY-QMMMGPOBSA-N 1 0 297.728 3.227 20 5 CGBDRO [NH3+][C@@H]1CN(Cc2c3ccccc3cc3ccccc32)C[C@@H]1F ZINC001235893759 819203040 /nfs/dbraw/zinc/20/30/40/819203040.db2.gz RZGVEDNGQOAFBF-RBUKOAKNSA-N 1 0 294.373 3.474 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1CCOCC1 ZINC001340540365 936407790 /nfs/dbraw/zinc/40/77/90/936407790.db2.gz LKDBLQDYFJTZRA-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001346724540 936858156 /nfs/dbraw/zinc/85/81/56/936858156.db2.gz AMKYYPYQPICLRH-FJJSSXBZSA-N 1 0 282.290 3.433 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC2CCC1CC2 ZINC001347103734 936869773 /nfs/dbraw/zinc/86/97/73/936869773.db2.gz DXRFLEYLPSPQLN-UHFFFAOYSA-N 1 0 264.300 3.108 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC001458267812 937457266 /nfs/dbraw/zinc/45/72/66/937457266.db2.gz ICXMKQUUJZKAPI-GFCCVEGCSA-N 1 0 297.424 3.436 20 5 CGBDRO CCOc1cc(C[N@H+](C)C[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC001460517260 937533874 /nfs/dbraw/zinc/53/38/74/937533874.db2.gz NAEOBLITHYCDGH-CYBMUJFWSA-N 1 0 292.379 3.471 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001460900313 937551930 /nfs/dbraw/zinc/55/19/30/937551930.db2.gz JFWCOIRNTOMUTA-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO Cc1c(C)n(-c2cccc([N+](=O)[O-])n2)c2ccc(C[NH3+])cc12 ZINC001155903126 931977121 /nfs/dbraw/zinc/97/71/21/931977121.db2.gz GYYHAZPPPXTEFA-UHFFFAOYSA-N 1 0 296.330 3.009 20 5 CGBDRO COc1ccc(C[NH2+]CC2CCC=CCC2)cc1[N+](=O)[O-] ZINC001461778240 937596736 /nfs/dbraw/zinc/59/67/36/937596736.db2.gz QAGRBHSQUQRTTA-UHFFFAOYSA-N 1 0 290.363 3.439 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)C[C@H]1C ZINC001461861777 937602601 /nfs/dbraw/zinc/60/26/01/937602601.db2.gz RJKGQLFCBFYEOM-CMPLNLGQSA-N 1 0 262.353 3.442 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229964556 932511567 /nfs/dbraw/zinc/51/15/67/932511567.db2.gz SROPRZZNJFAJRL-LLVKDONJSA-N 1 0 284.743 3.110 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001308448408 933112617 /nfs/dbraw/zinc/11/26/17/933112617.db2.gz FPHAMLPUYHTUJS-CQSZACIVSA-N 1 0 294.395 3.444 20 5 CGBDRO CC[NH+](CC)C1CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC001319915759 933957243 /nfs/dbraw/zinc/95/72/43/933957243.db2.gz FTZXDPZLZMYJLX-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC001472801926 937784828 /nfs/dbraw/zinc/78/48/28/937784828.db2.gz IUEIDYFJYXHVKV-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO COC[C@@H]([NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC001474011050 937835585 /nfs/dbraw/zinc/83/55/85/937835585.db2.gz HOGGCKSKTKVMKV-OAHLLOKOSA-N 1 0 294.395 3.479 20 5 CGBDRO CC[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755827 938234462 /nfs/dbraw/zinc/23/44/62/938234462.db2.gz KJKAYYYSDODMAB-GXTWGEPZSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC001559913689 938238717 /nfs/dbraw/zinc/23/87/17/938238717.db2.gz RQZLVIAKRUENEV-CYBMUJFWSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001560227874 938248220 /nfs/dbraw/zinc/24/82/20/938248220.db2.gz VLYORWWVUZIPKE-ZDUSSCGKSA-N 1 0 293.367 3.293 20 5 CGBDRO O=[N+]([O-])c1ccccc1CN1CCOCC12CCCCC2 ZINC000590761860 346872530 /nfs/dbraw/zinc/87/25/30/346872530.db2.gz PQUQPWNGMUGQDD-UHFFFAOYSA-N 1 0 290.363 3.130 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)c(F)c1 ZINC000591061794 346897039 /nfs/dbraw/zinc/89/70/39/346897039.db2.gz IPSVSMOPVBFBFA-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO C[C@@H]1CC2(C[N@@H+]1Cc1csc([N+](=O)[O-])c1)CCOCC2 ZINC000592181477 346969400 /nfs/dbraw/zinc/96/94/00/346969400.db2.gz FEZYLZBGCNQPHU-LLVKDONJSA-N 1 0 296.392 3.047 20 5 CGBDRO CC(C)([NH2+]CCC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000592123080 346964791 /nfs/dbraw/zinc/96/47/91/346964791.db2.gz UUKGHMOGJFEEHL-CYBMUJFWSA-N 1 0 292.379 3.236 20 5 CGBDRO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])CC(F)F ZINC000592372579 346979751 /nfs/dbraw/zinc/97/97/51/346979751.db2.gz NIDIEXOGCXTYNC-QZPNVGJNSA-N 1 0 284.306 3.489 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000592379205 346981006 /nfs/dbraw/zinc/98/10/06/346981006.db2.gz KBMWTGFITCHDJD-FPMFFAJLSA-N 1 0 260.337 3.181 20 5 CGBDRO Cc1c(CN2C[C@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593093583 347038171 /nfs/dbraw/zinc/03/81/71/347038171.db2.gz UUVKQLPXEJNYKF-LBPRGKRZSA-N 1 0 290.363 3.047 20 5 CGBDRO CC(C)O[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055366 347033383 /nfs/dbraw/zinc/03/33/83/347033383.db2.gz KIVHCRCHZZUVND-INIZCTEOSA-N 1 0 292.379 3.027 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CNc2ccccc2C1 ZINC000593317268 347062204 /nfs/dbraw/zinc/06/22/04/347062204.db2.gz UNHFTZXJSGDQLU-OAHLLOKOSA-N 1 0 297.358 3.030 20 5 CGBDRO O=[N+]([O-])c1ccc(NC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000014327119 344882034 /nfs/dbraw/zinc/88/20/34/344882034.db2.gz KUSTUHXFAKEOOV-UHFFFAOYSA-N 1 0 295.770 3.287 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2Cc3ccccc32)c1 ZINC000037565685 344951136 /nfs/dbraw/zinc/95/11/36/344951136.db2.gz ZIDZJAGUQVAVFL-AWEZNQCLSA-N 1 0 268.316 3.024 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CO)CCCCC2)c(Cl)c1 ZINC000053096816 345114780 /nfs/dbraw/zinc/11/47/80/345114780.db2.gz BZJNCDJDGMYCJM-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO C[N@H+](CCNc1ccsc1[N+](=O)[O-])Cc1ccccc1 ZINC000063264902 345245007 /nfs/dbraw/zinc/24/50/07/345245007.db2.gz SRSCKBZUXJOELX-UHFFFAOYSA-N 1 0 291.376 3.200 20 5 CGBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000058789650 345201757 /nfs/dbraw/zinc/20/17/57/345201757.db2.gz CDRVPYTVVPFIEM-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO CC(C)C[C@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000067224129 345317332 /nfs/dbraw/zinc/31/73/32/345317332.db2.gz XUIJKVHXUNGAPI-CQSZACIVSA-N 1 0 294.395 3.215 20 5 CGBDRO C[N@H+](CCNc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000064916293 345266626 /nfs/dbraw/zinc/26/66/26/345266626.db2.gz XILNJARKIQABKL-UHFFFAOYSA-N 1 0 285.347 3.139 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])nc1 ZINC000076795353 345550581 /nfs/dbraw/zinc/55/05/81/345550581.db2.gz IZTCFZXMXMJSHQ-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO CC(C)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000091372542 345812037 /nfs/dbraw/zinc/81/20/37/345812037.db2.gz HXQAMRRFCJTLSN-INIZCTEOSA-N 1 0 285.347 3.477 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCc3ccccc3CC2)cc1 ZINC000116300231 345976636 /nfs/dbraw/zinc/97/66/36/345976636.db2.gz PITCQOAXHOIZNM-UHFFFAOYSA-N 1 0 282.343 3.196 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000121399637 346002373 /nfs/dbraw/zinc/00/23/73/346002373.db2.gz OODWEHAKIGDUEF-MELADBBJSA-N 1 0 292.379 3.105 20 5 CGBDRO CCC[C@@H]([NH2+]CCCF)c1cccc([N+](=O)[O-])c1 ZINC000127002661 346027814 /nfs/dbraw/zinc/02/78/14/346027814.db2.gz CLBOUXDNQUKKEJ-CYBMUJFWSA-N 1 0 254.305 3.385 20 5 CGBDRO CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000143080810 346112583 /nfs/dbraw/zinc/11/25/83/346112583.db2.gz FFKSXQVVOYAEHG-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO CS[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235138161 346334067 /nfs/dbraw/zinc/33/40/67/346334067.db2.gz QBHUCLJHWXBXHT-HIFRSBDPSA-N 1 0 294.420 3.401 20 5 CGBDRO C[NH+]1CCC(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000313965253 346481390 /nfs/dbraw/zinc/48/13/90/346481390.db2.gz MSNXTZGLZZZKOD-UHFFFAOYSA-N 1 0 299.321 3.286 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cs1 ZINC000594523920 347189708 /nfs/dbraw/zinc/18/97/08/347189708.db2.gz VNYCAIPTUXQGAP-GFCCVEGCSA-N 1 0 296.392 3.238 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000594710836 347212134 /nfs/dbraw/zinc/21/21/34/347212134.db2.gz MNDIADLAHDYAKP-STQMWFEESA-N 1 0 285.347 3.444 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594591135 347197131 /nfs/dbraw/zinc/19/71/31/347197131.db2.gz FVDNLPPMTRSAMX-PHIMTYICSA-N 1 0 297.786 3.309 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000594506098 347181464 /nfs/dbraw/zinc/18/14/64/347181464.db2.gz MFMPYSRIALEYLS-PJODQICGSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1noc(C[NH+]2CCC3(CCCCC3)CC2)c1[N+](=O)[O-] ZINC000595308228 347290369 /nfs/dbraw/zinc/29/03/69/347290369.db2.gz GMJHFAWUOAEJMA-UHFFFAOYSA-N 1 0 293.367 3.438 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000595006106 347254421 /nfs/dbraw/zinc/25/44/21/347254421.db2.gz HIIVYNGVEAODIR-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595013415 347257190 /nfs/dbraw/zinc/25/71/90/347257190.db2.gz QVAYBJKLYVYIKM-ZFWWWQNUSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H]([NH2+]C1CC(CF)(CF)C1)c1ccccc1[N+](=O)[O-] ZINC000595025612 347260750 /nfs/dbraw/zinc/26/07/50/347260750.db2.gz HPNKKSNZHKCBPI-JTQLQIEISA-N 1 0 284.306 3.333 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595048127 347268838 /nfs/dbraw/zinc/26/88/38/347268838.db2.gz YCMLLGRYZWZNKE-IDTSFGKNSA-N 1 0 290.363 3.443 20 5 CGBDRO CC[C@H]([NH2+]CCC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595047717 347268934 /nfs/dbraw/zinc/26/89/34/347268934.db2.gz FWDPHSSUKLSRRD-MOQPWLNLSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H](NCc1cc(C2CC2)no1)c1cccc([N+](=O)[O-])c1 ZINC000595414743 347300317 /nfs/dbraw/zinc/30/03/17/347300317.db2.gz LMQVNCNVWZQUOP-SNVBAGLBSA-N 1 0 287.319 3.311 20 5 CGBDRO CC1(C)C[C@@]1(C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595098655 347283697 /nfs/dbraw/zinc/28/36/97/347283697.db2.gz DKECEYXWPQMVEQ-SWLSCSKDSA-N 1 0 260.337 3.360 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595598799 347323604 /nfs/dbraw/zinc/32/36/04/347323604.db2.gz GQDGIFLONINWQF-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO C[C@H]1CCCC[C@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425935 347301764 /nfs/dbraw/zinc/30/17/64/347301764.db2.gz VKRQNFQUROYHBB-STQMWFEESA-N 1 0 289.379 3.174 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454127 347305743 /nfs/dbraw/zinc/30/57/43/347305743.db2.gz JEKKQQADRASICV-CABZTGNLSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1noc(C[N@@H+](C)[C@H](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000595477157 347309645 /nfs/dbraw/zinc/30/96/45/347309645.db2.gz RDQGVLVDVOZZEB-LLVKDONJSA-N 1 0 281.356 3.292 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596306516 347413800 /nfs/dbraw/zinc/41/38/00/347413800.db2.gz FFVGSSLFHWAQAQ-NSHDSACASA-N 1 0 297.424 3.497 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(OCc2cccc3c2CC[NH2+]C3)c1 ZINC000596070872 347379527 /nfs/dbraw/zinc/37/95/27/347379527.db2.gz UEHCFCIKQHJMOH-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000596309287 347414950 /nfs/dbraw/zinc/41/49/50/347414950.db2.gz XOBCWZOLCKNDOH-ZDUSSCGKSA-N 1 0 277.368 3.188 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000596570413 347480868 /nfs/dbraw/zinc/48/08/68/347480868.db2.gz KLGHVFSDYAPRFW-LBPRGKRZSA-N 1 0 295.408 3.190 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@@H]1CC1(F)F ZINC000598648620 347674778 /nfs/dbraw/zinc/67/47/78/347674778.db2.gz QKDKUQQAVDXUAQ-LLVKDONJSA-N 1 0 270.279 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3ccsc3)C2)cc1 ZINC000598678864 347677985 /nfs/dbraw/zinc/67/79/85/347677985.db2.gz WHAIGQPGUMVWHI-UHFFFAOYSA-N 1 0 288.372 3.331 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCC23CC3)cc1 ZINC000599014492 347706130 /nfs/dbraw/zinc/70/61/30/347706130.db2.gz BAWKBKJLHCEEQJ-CYBMUJFWSA-N 1 0 260.337 3.265 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056621 347712343 /nfs/dbraw/zinc/71/23/43/347712343.db2.gz KUCFKSDCJJHTDI-OLZOCXBDSA-N 1 0 278.352 3.062 20 5 CGBDRO COCCC1CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000599060474 347713005 /nfs/dbraw/zinc/71/30/05/347713005.db2.gz XBGHBUQJVILTOL-CYBMUJFWSA-N 1 0 292.379 3.404 20 5 CGBDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599070259 347713871 /nfs/dbraw/zinc/71/38/71/347713871.db2.gz YBYPQTDVPBPPNY-OCCSQVGLSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000599085020 347715686 /nfs/dbraw/zinc/71/56/86/347715686.db2.gz JHQQPODMGOWJAO-NORZTCDRSA-N 1 0 290.363 3.121 20 5 CGBDRO CCC(CC)[NH2+]CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000599097064 347716967 /nfs/dbraw/zinc/71/69/67/347716967.db2.gz DXXRAWLCJYPWHT-UHFFFAOYSA-N 1 0 265.357 3.093 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])s1 ZINC000599165760 347722614 /nfs/dbraw/zinc/72/26/14/347722614.db2.gz RZXCJOICOXKVJN-GFCCVEGCSA-N 1 0 295.408 3.394 20 5 CGBDRO CCO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599351198 347737973 /nfs/dbraw/zinc/73/79/73/347737973.db2.gz YYKHUXQXXBDACV-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO CCC[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC000600712148 347829988 /nfs/dbraw/zinc/82/99/88/347829988.db2.gz XBDVXEPUHNODFL-INWMFGNUSA-N 1 0 291.395 3.166 20 5 CGBDRO CC[C@@H](C)[N@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600167699 347788242 /nfs/dbraw/zinc/78/82/42/347788242.db2.gz AWRUFVIQCSZCKD-CYBMUJFWSA-N 1 0 294.395 3.311 20 5 CGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc([C@@H]3CCC[NH2+]3)cc2)c1 ZINC000600781419 347835248 /nfs/dbraw/zinc/83/52/48/347835248.db2.gz BMRKQFCSPPOZOG-KRWDZBQOSA-N 1 0 298.342 3.179 20 5 CGBDRO C[C@@H]1Cc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2C[NH2+]1 ZINC000600790124 347836909 /nfs/dbraw/zinc/83/69/09/347836909.db2.gz ZKTUXLGJYVVKLF-LLVKDONJSA-N 1 0 268.316 3.296 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccccc1[N+](=O)[O-] ZINC000601942101 347926947 /nfs/dbraw/zinc/92/69/47/347926947.db2.gz QYQXWZDYRCZNBD-NEPJUHHUSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647494 348000410 /nfs/dbraw/zinc/00/04/10/348000410.db2.gz LDAAGZVBXXZMNB-MNOVXSKESA-N 1 0 289.335 3.262 20 5 CGBDRO CC1(C)CC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602718432 348016282 /nfs/dbraw/zinc/01/62/82/348016282.db2.gz YOHYOJQENXKUKV-UHFFFAOYSA-N 1 0 275.308 3.014 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]1CC(C)(C)C ZINC000602767871 348025409 /nfs/dbraw/zinc/02/54/09/348025409.db2.gz ZACJYOHBPGCHTO-ZDUSSCGKSA-N 1 0 294.399 3.000 20 5 CGBDRO C[C@@H](F)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000351893955 219240676 /nfs/dbraw/zinc/24/06/76/219240676.db2.gz WAADOMUKAHLVJX-LLVKDONJSA-N 1 0 266.316 3.307 20 5 CGBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1cn(C)nc1[N+](=O)[O-] ZINC000602815942 348033418 /nfs/dbraw/zinc/03/34/18/348033418.db2.gz MSGHLPOFEZLXRL-JSGCOSHPSA-N 1 0 294.399 3.023 20 5 CGBDRO Cc1noc(C[N@@H+](C)C[C@H](C)C(C)(C)C)c1[N+](=O)[O-] ZINC000603053402 348056334 /nfs/dbraw/zinc/05/63/34/348056334.db2.gz BJYSRASDLIYXJT-VIFPVBQESA-N 1 0 269.345 3.005 20 5 CGBDRO CC[NH+](CC)CC1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000603864098 348100076 /nfs/dbraw/zinc/10/00/76/348100076.db2.gz JWPYEHYADJQVNC-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609417672 348343901 /nfs/dbraw/zinc/34/39/01/348343901.db2.gz BXGFAGPMVPYGGN-STQMWFEESA-N 1 0 278.352 3.237 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CCO[C@H](C)C1 ZINC000273348834 192122733 /nfs/dbraw/zinc/12/27/33/192122733.db2.gz AMIYOTZHJIVSKX-KGLIPLIRSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610539278 348389630 /nfs/dbraw/zinc/38/96/30/348389630.db2.gz GJUXCNBLBGAHBU-OLZOCXBDSA-N 1 0 285.347 3.444 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351977748 219272587 /nfs/dbraw/zinc/27/25/87/219272587.db2.gz KKQAECZYECBPMW-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978354 219273620 /nfs/dbraw/zinc/27/36/20/219273620.db2.gz RMQCVHBTGGZYNW-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)c1ccncc1 ZINC000612580549 348529413 /nfs/dbraw/zinc/52/94/13/348529413.db2.gz AVBYXGRZKGXNKK-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC2(CCO)CCC2)cccc1[N+](=O)[O-] ZINC000358306291 233104161 /nfs/dbraw/zinc/10/41/61/233104161.db2.gz UKSWORFQSOHDES-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC=CC1)CCC2 ZINC000618571413 349109126 /nfs/dbraw/zinc/10/91/26/349109126.db2.gz LZWISLMOCJXGTB-HNNXBMFYSA-N 1 0 258.321 3.280 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000619724131 349279381 /nfs/dbraw/zinc/27/93/81/349279381.db2.gz GEQIQJZLXKOYCX-IUODEOHRSA-N 1 0 290.363 3.205 20 5 CGBDRO CC[C@@H]([NH2+]CCCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000122747779 187049301 /nfs/dbraw/zinc/04/93/01/187049301.db2.gz PPAPDBRPAAZWEE-OAHLLOKOSA-N 1 0 280.368 3.452 20 5 CGBDRO CC[C@H]([NH2+][C@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123678495 187104541 /nfs/dbraw/zinc/10/45/41/187104541.db2.gz SPZKMEGBZWBDOI-LSDHHAIUSA-N 1 0 280.368 3.043 20 5 CGBDRO COCC[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000364162453 234025083 /nfs/dbraw/zinc/02/50/83/234025083.db2.gz XIZJHMUNAWZVKF-CQSZACIVSA-N 1 0 292.379 3.233 20 5 CGBDRO CCSCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292135337 198177509 /nfs/dbraw/zinc/17/75/09/198177509.db2.gz LUAFBGOGHHKWBP-UHFFFAOYSA-N 1 0 268.382 3.173 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152510324 188024056 /nfs/dbraw/zinc/02/40/56/188024056.db2.gz FUQZUHNNFKCQIQ-OLZOCXBDSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157704655 188333878 /nfs/dbraw/zinc/33/38/78/188333878.db2.gz YHWHXVNCUBIXMO-LALPHHSUSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000158032145 188353286 /nfs/dbraw/zinc/35/32/86/188353286.db2.gz QIKXXOINKKCFSH-PZBABLGHSA-N 1 0 260.337 3.338 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488443706 535264982 /nfs/dbraw/zinc/26/49/82/535264982.db2.gz BTEQGSABYKIKTC-DZGCQCFKSA-N 1 0 294.420 3.257 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000250078951 138555771 /nfs/dbraw/zinc/55/57/71/138555771.db2.gz OVAZPFKPSMXVJW-DCDXPUDHSA-N 1 0 290.363 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC3CCC2CC3)cs1 ZINC000311155409 138583218 /nfs/dbraw/zinc/58/32/18/138583218.db2.gz KKAOEKRENNXCMG-QEWOUOOISA-N 1 0 266.366 3.325 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2CCC(F)(F)CC2)c1 ZINC000341714697 216077094 /nfs/dbraw/zinc/07/70/94/216077094.db2.gz JLFFFCUUIRDNEH-UHFFFAOYSA-N 1 0 270.279 3.262 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341935847 216159615 /nfs/dbraw/zinc/15/96/15/216159615.db2.gz SGSYCKSIWNZTKJ-LBPRGKRZSA-N 1 0 295.358 3.266 20 5 CGBDRO CC(C)([NH3+])CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000342222466 216266098 /nfs/dbraw/zinc/26/60/98/216266098.db2.gz LWAOMVWPSQOAOT-UHFFFAOYSA-N 1 0 278.139 3.051 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](CCO)C1CCCCC1 ZINC000181507563 189298362 /nfs/dbraw/zinc/29/83/62/189298362.db2.gz LAJKPMQNFJYRKM-OAHLLOKOSA-N 1 0 292.379 3.016 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301505808 201036132 /nfs/dbraw/zinc/03/61/32/201036132.db2.gz CRMSLPNDDTVBOA-OLZOCXBDSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCC[C@@H](C)C1 ZINC000301518793 201042995 /nfs/dbraw/zinc/04/29/95/201042995.db2.gz KNOBERLQJCBSRD-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000301629539 201106800 /nfs/dbraw/zinc/10/68/00/201106800.db2.gz IEFXIXNAZHPOGP-GFCCVEGCSA-N 1 0 279.384 3.291 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000301657447 201119119 /nfs/dbraw/zinc/11/91/19/201119119.db2.gz VVBYKEGGIOOSSE-LBPRGKRZSA-N 1 0 279.384 3.291 20 5 CGBDRO Cc1ncsc1CN(C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183328192 189355006 /nfs/dbraw/zinc/35/50/06/189355006.db2.gz GYKPRJOUGCLJMN-UHFFFAOYSA-N 1 0 291.376 3.300 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000301787799 201197035 /nfs/dbraw/zinc/19/70/35/201197035.db2.gz PONFNDPJBCUQIK-AWEZNQCLSA-N 1 0 291.395 3.375 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449175513 239223565 /nfs/dbraw/zinc/22/35/65/239223565.db2.gz OHXXOYPAHHJZOW-WFASDCNBSA-N 1 0 294.395 3.177 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CCC1 ZINC000449177505 239226559 /nfs/dbraw/zinc/22/65/59/239226559.db2.gz PUDZSXOFCDULIR-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1cccc(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000218826247 376189905 /nfs/dbraw/zinc/18/99/05/376189905.db2.gz OPMPCBFWTLJTSB-UHFFFAOYSA-N 1 0 279.384 3.434 20 5 CGBDRO CCO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451533329 240320117 /nfs/dbraw/zinc/32/01/17/240320117.db2.gz WIYBPUNLUQQWSK-HEHGZKQESA-N 1 0 292.379 3.403 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453429263 240936501 /nfs/dbraw/zinc/93/65/01/240936501.db2.gz QHJMOHFLDUKZME-QWHCGFSZSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538192966 288562140 /nfs/dbraw/zinc/56/21/40/288562140.db2.gz NBSUWBIDXMOOAM-WOSRLPQWSA-N 1 0 292.379 3.369 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC(C)C ZINC000468644916 242649065 /nfs/dbraw/zinc/64/90/65/242649065.db2.gz IJFXNZYMBNGMRC-GXDHUFHOSA-N 1 0 292.379 3.403 20 5 CGBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000478489492 243077724 /nfs/dbraw/zinc/07/77/24/243077724.db2.gz NBRNIKICWDXCGC-HNNXBMFYSA-N 1 0 292.379 3.198 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478496334 243078071 /nfs/dbraw/zinc/07/80/71/243078071.db2.gz WXTWKDGXPHIAPV-KCPJHIHWSA-N 1 0 292.379 3.052 20 5 CGBDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478496337 243078614 /nfs/dbraw/zinc/07/86/14/243078614.db2.gz WXTWKDGXPHIAPV-NILFDRSVSA-N 1 0 292.379 3.052 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390583 243190398 /nfs/dbraw/zinc/19/03/98/243190398.db2.gz ZCSFMZKYYSYYFS-MFKMUULPSA-N 1 0 296.342 3.363 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000028386986 368885050 /nfs/dbraw/zinc/88/50/50/368885050.db2.gz LTCOWAVCGMSOPV-UHFFFAOYSA-N 1 0 270.332 3.269 20 5 CGBDRO CC[C@H]([NH2+]CCCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010558 369051671 /nfs/dbraw/zinc/05/16/71/369051671.db2.gz VDWCOJGIQBBXFL-HNNXBMFYSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000494237341 244272340 /nfs/dbraw/zinc/27/23/40/244272340.db2.gz KHBOXLDHIJDQAS-SLEUVZQESA-N 1 0 278.352 3.121 20 5 CGBDRO CCC[C@@H](N[C@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553719 369409639 /nfs/dbraw/zinc/40/96/39/369409639.db2.gz IILYKMLIQFPNSO-CZUORRHYSA-N 1 0 293.411 3.366 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccc(F)c(F)c2)cccc1[N+](=O)[O-] ZINC000049577713 369410356 /nfs/dbraw/zinc/41/03/56/369410356.db2.gz KKCQGOLLGQNZKM-UHFFFAOYSA-N 1 0 292.285 3.471 20 5 CGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C(C1CC1)C1CC1 ZINC000050988698 369446328 /nfs/dbraw/zinc/44/63/28/369446328.db2.gz POABMLZLBFRGTB-UHFFFAOYSA-N 1 0 266.366 3.277 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2nccs2)cc1[N+](=O)[O-] ZINC000063133626 369641263 /nfs/dbraw/zinc/64/12/63/369641263.db2.gz JKGSLKSJTPEAMN-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000091098063 370071795 /nfs/dbraw/zinc/07/17/95/370071795.db2.gz UUAKSVWZSBEDFW-ZDUSSCGKSA-N 1 0 282.409 3.211 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000094423821 370168610 /nfs/dbraw/zinc/16/86/10/370168610.db2.gz ZLZRTXQYMSUSLN-ZDUSSCGKSA-N 1 0 278.352 3.031 20 5 CGBDRO COc1ccc(C[N@@H+]2CCCC(C)(C)C2)cc1[N+](=O)[O-] ZINC000112702414 370443776 /nfs/dbraw/zinc/44/37/76/370443776.db2.gz HYBOYRKMGYKHSH-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+](CC1CC1)CC1CC1 ZINC000115563232 370534648 /nfs/dbraw/zinc/53/46/48/370534648.db2.gz AKJDADHPARFLJH-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000129622184 370996661 /nfs/dbraw/zinc/99/66/61/370996661.db2.gz SUAMZGKELHQZHI-ZJUUUORDSA-N 1 0 277.349 3.463 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000130505516 371039629 /nfs/dbraw/zinc/03/96/29/371039629.db2.gz OSCXCSPUSTYQQV-DIECRNLCSA-N 1 0 278.377 3.045 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000131080924 371081349 /nfs/dbraw/zinc/08/13/49/371081349.db2.gz KTOGHMBLYAVCAK-HUUCEWRRSA-N 1 0 280.368 3.187 20 5 CGBDRO CCC[C@H](O)C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000131080337 371081457 /nfs/dbraw/zinc/08/14/57/371081457.db2.gz KTOGHMBLYAVCAK-GJZGRUSLSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331750367 204122717 /nfs/dbraw/zinc/12/27/17/204122717.db2.gz GBPPBSBXWJBKAB-CMPLNLGQSA-N 1 0 288.351 3.139 20 5 CGBDRO CSCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232316 371404769 /nfs/dbraw/zinc/40/47/69/371404769.db2.gz GCRGEXDAQJYYGT-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151001275 371557423 /nfs/dbraw/zinc/55/74/23/371557423.db2.gz RPTUKWSWWRGASL-KOLCDFICSA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COC(C)C)cc1[N+](=O)[O-] ZINC000337348907 214023221 /nfs/dbraw/zinc/02/32/21/214023221.db2.gz ZPJXDRJWVALLCX-STQMWFEESA-N 1 0 280.368 3.367 20 5 CGBDRO Cc1c(C[N@@H+]2CCC(F)(F)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000289949529 371859773 /nfs/dbraw/zinc/85/97/73/371859773.db2.gz VYUYVHRZQLYPHR-SNVBAGLBSA-N 1 0 284.306 3.380 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@]2(C)CCCO)cc1[N+](=O)[O-] ZINC000290300078 371958741 /nfs/dbraw/zinc/95/87/41/371958741.db2.gz BDTAARRDWKRIDK-MRXNPFEDSA-N 1 0 292.379 3.030 20 5 CGBDRO CC[C@@H](C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000290247937 371945772 /nfs/dbraw/zinc/94/57/72/371945772.db2.gz TWYPAVWSXHRUML-KBPBESRZSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424380280 372085575 /nfs/dbraw/zinc/08/55/75/372085575.db2.gz WQXNLUGAYXCMNX-BZUAXINKSA-N 1 0 291.395 3.296 20 5 CGBDRO COCC(C)(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000426077243 372149794 /nfs/dbraw/zinc/14/97/94/372149794.db2.gz KTVAOKAGACQRAI-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO Cc1cc(N2CCC([NH2+]C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292581283 372196988 /nfs/dbraw/zinc/19/69/88/372196988.db2.gz KXUJYQQNXSKHKZ-UHFFFAOYSA-N 1 0 295.358 3.009 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1CN1CCC[C@H]1CF ZINC000292936130 372254264 /nfs/dbraw/zinc/25/42/64/372254264.db2.gz CXXSHQVWDKWYRE-NSHDSACASA-N 1 0 272.707 3.182 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccsc1C ZINC000293501669 372395812 /nfs/dbraw/zinc/39/58/12/372395812.db2.gz HJTQUYDQQUOYRA-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)COC)c1cccc([N+](=O)[O-])c1 ZINC000293361112 372363661 /nfs/dbraw/zinc/36/36/61/372363661.db2.gz HKEQRJDULBAJFW-AWEZNQCLSA-N 1 0 280.368 3.308 20 5 CGBDRO CCC[C@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167379835 372593576 /nfs/dbraw/zinc/59/35/76/372593576.db2.gz LVVWJIVUUNFBQJ-LBPRGKRZSA-N 1 0 289.335 3.024 20 5 CGBDRO CCC[C@@H](O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167379933 372594168 /nfs/dbraw/zinc/59/41/68/372594168.db2.gz LVVWJIVUUNFBQJ-GFCCVEGCSA-N 1 0 289.335 3.024 20 5 CGBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000295916613 372957873 /nfs/dbraw/zinc/95/78/73/372957873.db2.gz FBOLDOHJVQOWJK-RYUDHWBXSA-N 1 0 288.351 3.223 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC1CC1 ZINC000344824666 217322144 /nfs/dbraw/zinc/32/21/44/217322144.db2.gz MHEJDXOPBHGXJV-UKTHLTGXSA-N 1 0 290.363 3.014 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCOC1 ZINC000344848729 217333330 /nfs/dbraw/zinc/33/33/30/217333330.db2.gz AJFCCNLVWXLKQE-JEMSNHSXSA-N 1 0 290.363 3.014 20 5 CGBDRO CCC1([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000296435455 373133295 /nfs/dbraw/zinc/13/32/95/373133295.db2.gz MBWOQBGLBDFOJL-GFCCVEGCSA-N 1 0 262.353 3.448 20 5 CGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173401223 373135512 /nfs/dbraw/zinc/13/55/12/373135512.db2.gz PCPKRVAEYPZHQB-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000298439717 373329558 /nfs/dbraw/zinc/32/95/58/373329558.db2.gz BTQFHVIXHHBKHX-ZDUSSCGKSA-N 1 0 293.298 3.042 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000174860889 373373733 /nfs/dbraw/zinc/37/37/33/373373733.db2.gz WSJJLKOZUBGCMF-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000353612791 220190190 /nfs/dbraw/zinc/19/01/90/220190190.db2.gz KVXCYWKQMAWOEH-UHFFFAOYSA-N 1 0 299.374 3.163 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccncc1 ZINC000344990052 217379293 /nfs/dbraw/zinc/37/92/93/217379293.db2.gz WWTZVDWMTRMPST-KAMYIIQDSA-N 1 0 297.358 3.225 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000300411378 373629704 /nfs/dbraw/zinc/62/97/04/373629704.db2.gz MTMJCPTYCPNKIZ-KCPJHIHWSA-N 1 0 292.379 3.367 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000301069964 373648240 /nfs/dbraw/zinc/64/82/40/373648240.db2.gz FLCNWHLIDGERPD-CHWSQXEVSA-N 1 0 277.368 3.127 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ncccc1[N+](=O)[O-] ZINC000301113751 373664927 /nfs/dbraw/zinc/66/49/27/373664927.db2.gz KIUGFHFIUJOWLD-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301277338 373724956 /nfs/dbraw/zinc/72/49/56/373724956.db2.gz PAAAHQYVXAQSEQ-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO CS[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449447004 373726564 /nfs/dbraw/zinc/72/65/64/373726564.db2.gz VQCVIWCFMWSNMN-AGLBCWCQSA-N 1 0 278.377 3.045 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCc2cscn2)cccc1[N+](=O)[O-] ZINC000178472703 373782918 /nfs/dbraw/zinc/78/29/18/373782918.db2.gz JNBKNRQLYKXTID-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449495911 373792122 /nfs/dbraw/zinc/79/21/22/373792122.db2.gz FLNDBIFLMABRQX-OAHLLOKOSA-N 1 0 292.379 3.150 20 5 CGBDRO C[C@@H](C[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000302430791 373867149 /nfs/dbraw/zinc/86/71/49/373867149.db2.gz PRFYMRQGBIHUMS-ZDUSSCGKSA-N 1 0 277.368 3.271 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308363332 374163953 /nfs/dbraw/zinc/16/39/53/374163953.db2.gz IPBWFHCJTIUUKR-KCPJHIHWSA-N 1 0 290.363 3.203 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1F ZINC000313278484 374300926 /nfs/dbraw/zinc/30/09/26/374300926.db2.gz CISZQUUIQRRWIP-UHFFFAOYSA-N 1 0 294.351 3.470 20 5 CGBDRO CO[C@H](C)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000315237637 374326852 /nfs/dbraw/zinc/32/68/52/374326852.db2.gz QACHNHNSGUGGNC-LLVKDONJSA-N 1 0 289.335 3.288 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000453276943 374386817 /nfs/dbraw/zinc/38/68/17/374386817.db2.gz BEPRHCSLPGSTQV-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185195854 374609188 /nfs/dbraw/zinc/60/91/88/374609188.db2.gz COHRHJPCVWIVKF-CABCVRRESA-N 1 0 294.395 3.433 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)C[C@H]1CCCO1 ZINC000470174506 374995768 /nfs/dbraw/zinc/99/57/68/374995768.db2.gz LKZDDLRNJAZMIJ-LRFDDAOPSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H]([NH2+]C/C=C\c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000487553647 375253541 /nfs/dbraw/zinc/25/35/41/375253541.db2.gz RJEMFHDOVPPNJQ-DSYXLKISSA-N 1 0 283.331 3.354 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509019966 375768740 /nfs/dbraw/zinc/76/87/40/375768740.db2.gz AUZSWADFTYTKGU-BDAKNGLRSA-N 1 0 272.295 3.397 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCc2ccccc21 ZINC000193255107 375847909 /nfs/dbraw/zinc/84/79/09/375847909.db2.gz KVMXCMDRTDSFJH-INIZCTEOSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000195666912 376117150 /nfs/dbraw/zinc/11/71/50/376117150.db2.gz WFPBEVPQSHDGCR-CHWSQXEVSA-N 1 0 277.368 3.127 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCF ZINC000536852159 376137441 /nfs/dbraw/zinc/13/74/41/376137441.db2.gz NJSXNVDIPIVLPQ-LLVKDONJSA-N 1 0 286.372 3.415 20 5 CGBDRO CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000541074971 376421271 /nfs/dbraw/zinc/42/12/71/376421271.db2.gz YGFZWVJVOUGVPV-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000226384127 376356228 /nfs/dbraw/zinc/35/62/28/376356228.db2.gz SNWVAPJOIMPTDU-BXUZGUMPSA-N 1 0 280.393 3.389 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000540395226 376372951 /nfs/dbraw/zinc/37/29/51/376372951.db2.gz RPSMBWQVCBBYDI-SWLSCSKDSA-N 1 0 292.379 3.451 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CC=CCC1 ZINC000541323684 376437402 /nfs/dbraw/zinc/43/74/02/376437402.db2.gz FMZWAYOJAZVWQY-CQSZACIVSA-N 1 0 290.363 3.262 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000231750830 376570958 /nfs/dbraw/zinc/57/09/58/376570958.db2.gz RUWDCQYIZQAIHB-VIFPVBQESA-N 1 0 276.258 3.334 20 5 CGBDRO CC/C=C\CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545223475 376800387 /nfs/dbraw/zinc/80/03/87/376800387.db2.gz FTQGAQUQFSTTAX-ARJAWSKDSA-N 1 0 260.337 3.309 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1F ZINC000340247581 376964190 /nfs/dbraw/zinc/96/41/90/376964190.db2.gz PTPHHQJREBRGIB-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CCOC[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000246097899 376966572 /nfs/dbraw/zinc/96/65/72/376966572.db2.gz AOIDFZKLCYGJNE-OLZOCXBDSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000246420644 377028961 /nfs/dbraw/zinc/02/89/61/377028961.db2.gz NEUMYYGBYSCINE-UGFHNGPFSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000247702720 377236298 /nfs/dbraw/zinc/23/62/98/377236298.db2.gz YFBODCKEOBNTQX-GXTWGEPZSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000341133893 377413055 /nfs/dbraw/zinc/41/30/55/377413055.db2.gz XBOZAMYGKVYISR-VXGBXAGGSA-N 1 0 295.358 3.409 20 5 CGBDRO CC[NH+](CC)CCSCCOc1ccc([N+](=O)[O-])cc1 ZINC000083099983 249006268 /nfs/dbraw/zinc/00/62/68/249006268.db2.gz KTRXUNNIIRSWTB-UHFFFAOYSA-N 1 0 298.408 3.049 20 5 CGBDRO CC[C@@H](O)[C@H](CC)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000313084478 249085512 /nfs/dbraw/zinc/08/55/12/249085512.db2.gz JHGXJTRNHLZSKF-SOUVJXGZSA-N 1 0 280.368 3.185 20 5 CGBDRO CC(C)C[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000302437958 249079488 /nfs/dbraw/zinc/07/94/88/249079488.db2.gz WCRWTZRNGTWPDZ-LBPRGKRZSA-N 1 0 250.342 3.367 20 5 CGBDRO CC[C@H]([NH2+]CCC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000573844962 377583827 /nfs/dbraw/zinc/58/38/27/377583827.db2.gz PEUDFJZDIWTFQE-HNNXBMFYSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]Cc2ccccc21 ZINC000261951008 377871310 /nfs/dbraw/zinc/87/13/10/377871310.db2.gz NBWQIOYJNQJYAW-ZDUSSCGKSA-N 1 0 297.358 3.266 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000578944815 378116012 /nfs/dbraw/zinc/11/60/12/378116012.db2.gz XRJXKISMJQCQSM-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO CC[C@]1(CO)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150411 378945022 /nfs/dbraw/zinc/94/50/22/378945022.db2.gz PIUSKYGPPIMGKL-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO CCc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])cn1 ZINC000348674565 379014657 /nfs/dbraw/zinc/01/46/57/379014657.db2.gz OTXDPYJWDAHEKC-UHFFFAOYSA-N 1 0 299.374 3.227 20 5 CGBDRO CCOC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266538111 190265257 /nfs/dbraw/zinc/26/52/57/190265257.db2.gz OVVIAUKXPJPKSI-KGLIPLIRSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000374495227 379448461 /nfs/dbraw/zinc/44/84/61/379448461.db2.gz HVJNZRWXOQKXOB-PEYYIBSZSA-N 1 0 290.363 3.121 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000349964980 379461650 /nfs/dbraw/zinc/46/16/50/379461650.db2.gz FFFWYNAFHNHLKB-CQSZACIVSA-N 1 0 260.337 3.135 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCCOC(C)(C)C1 ZINC000377700928 379724545 /nfs/dbraw/zinc/72/45/45/379724545.db2.gz JZILPJAVWVKZFV-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N(C)CCC[NH+]1CCCC1 ZINC000281217651 379824038 /nfs/dbraw/zinc/82/40/38/379824038.db2.gz DQAANMSCDXQALV-CQSZACIVSA-N 1 0 291.395 3.074 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000393583835 379915407 /nfs/dbraw/zinc/91/54/07/379915407.db2.gz NEIVWZHPDWWBHC-NSHDSACASA-N 1 0 280.368 3.043 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1CC ZINC000352649611 379890429 /nfs/dbraw/zinc/89/04/29/379890429.db2.gz MAMBHJWSQAEZHJ-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC23CCOCC3)cs1 ZINC000282750584 379981846 /nfs/dbraw/zinc/98/18/46/379981846.db2.gz SISCYGXQPPNHJL-LBPRGKRZSA-N 1 0 296.392 3.095 20 5 CGBDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000352847485 380002668 /nfs/dbraw/zinc/00/26/68/380002668.db2.gz CXKKXNSGTNWTTM-GOEBONIOSA-N 1 0 292.379 3.136 20 5 CGBDRO C[C@H]1CC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353118367 380123842 /nfs/dbraw/zinc/12/38/42/380123842.db2.gz LMWYJOBRWUIQMW-GZMMTYOYSA-N 1 0 286.278 3.084 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC000353123484 380127714 /nfs/dbraw/zinc/12/77/14/380127714.db2.gz CKFJQLWDUGSOLQ-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286081684 380160619 /nfs/dbraw/zinc/16/06/19/380160619.db2.gz SJNUDAIMBDHCNH-PELKAZGASA-N 1 0 286.784 3.089 20 5 CGBDRO Cc1cc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)on1 ZINC000353979537 380261769 /nfs/dbraw/zinc/26/17/69/380261769.db2.gz RNDOTRCGAKXBJE-LBPRGKRZSA-N 1 0 289.335 3.093 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@@H](O)C(C)C ZINC000414299140 380209981 /nfs/dbraw/zinc/20/99/81/380209981.db2.gz RAZOGPWTEJGMMO-NOLJZWGESA-N 1 0 294.395 3.349 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000354019675 380282607 /nfs/dbraw/zinc/28/26/07/380282607.db2.gz ZTVRPHMCPWWHMK-CDMKHQONSA-N 1 0 280.393 3.305 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000414515285 380290929 /nfs/dbraw/zinc/29/09/29/380290929.db2.gz NBUUYALUEVOSAN-HIXHAHCQSA-N 1 0 290.363 3.011 20 5 CGBDRO CO[C@@H](C)C[N@H+](Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000354439298 380439153 /nfs/dbraw/zinc/43/91/53/380439153.db2.gz BOEBYJQUCBPFPG-LBPRGKRZSA-N 1 0 280.368 3.149 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000355132229 380591321 /nfs/dbraw/zinc/59/13/21/380591321.db2.gz JDVFKLLUDRKSOM-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355196128 380618764 /nfs/dbraw/zinc/61/87/64/380618764.db2.gz HPTDHONSAYEASS-SBSDFTTDSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@]1(F)CCN(C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000355352357 380653566 /nfs/dbraw/zinc/65/35/66/380653566.db2.gz HJJNYIOIQKANOL-YVARQFDVSA-N 1 0 264.300 3.042 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000421394234 380943685 /nfs/dbraw/zinc/94/36/85/380943685.db2.gz XMBPGMPQYANUQF-RUCLMCIISA-N 1 0 290.363 3.155 20 5 CGBDRO CC(C)[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000361421820 381742061 /nfs/dbraw/zinc/74/20/61/381742061.db2.gz WRDJEQBOOMOBIO-CYBMUJFWSA-N 1 0 298.770 3.248 20 5 CGBDRO COc1cc(C[N@H+](CC2CC2)C2CCC2)ccc1[N+](=O)[O-] ZINC000361581893 381817959 /nfs/dbraw/zinc/81/79/59/381817959.db2.gz HSCDXXBPZAYKKI-UHFFFAOYSA-N 1 0 290.363 3.368 20 5 CGBDRO CCC[C@@H]([NH2+]CCC[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228037127 542296823 /nfs/dbraw/zinc/29/68/23/542296823.db2.gz RYRRLBMHUMMZKF-IUODEOHRSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280969449 195050603 /nfs/dbraw/zinc/05/06/03/195050603.db2.gz LFHZTJWZRDYXHN-IUODEOHRSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000336816581 285115215 /nfs/dbraw/zinc/11/52/15/285115215.db2.gz MOIXNKSBDHICDE-ABIUDSBCSA-N 1 0 260.337 3.263 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)cc1 ZINC000289302730 197290275 /nfs/dbraw/zinc/29/02/75/197290275.db2.gz IKVBOYMGPVRKIJ-MRXNPFEDSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(C(F)(F)F)CCC2)c1 ZINC000353095108 285153663 /nfs/dbraw/zinc/15/36/63/285153663.db2.gz WXDQDTWSLLJQJO-UHFFFAOYSA-N 1 0 288.269 3.417 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2COc3ccccc32)cc1[N+](=O)[O-] ZINC000288630771 197131731 /nfs/dbraw/zinc/13/17/31/197131731.db2.gz SQIMKQFOJSVXOC-CQSZACIVSA-N 1 0 298.342 3.169 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000426769386 533220767 /nfs/dbraw/zinc/22/07/67/533220767.db2.gz ILMBHBMXCPJVFQ-CHWSQXEVSA-N 1 0 290.363 3.225 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000441195570 533227431 /nfs/dbraw/zinc/22/74/31/533227431.db2.gz LARHFXTYXFFTIP-YFZPWRCSSA-N 1 0 290.363 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC[C@@H]2CCCO2)C2CC2)cc1 ZINC000189791762 130023717 /nfs/dbraw/zinc/02/37/17/130023717.db2.gz HJMHAKPISRIRHA-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO CCC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222524428 130790562 /nfs/dbraw/zinc/79/05/62/130790562.db2.gz FBRGQBHDRCSBMO-CZUORRHYSA-N 1 0 294.395 3.434 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000247100246 131100575 /nfs/dbraw/zinc/10/05/75/131100575.db2.gz OODWEHAKIGDUEF-MGPQQGTHSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287025378 392392434 /nfs/dbraw/zinc/39/24/34/392392434.db2.gz LKXSBJUYZRWILG-RYUDHWBXSA-N 1 0 280.393 3.389 20 5 CGBDRO COC[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000372103764 392583219 /nfs/dbraw/zinc/58/32/19/392583219.db2.gz UMGRQCVCXKTDNU-AWEZNQCLSA-N 1 0 292.379 3.152 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521903 392975234 /nfs/dbraw/zinc/97/52/34/392975234.db2.gz GRBFTGFRWCSUJF-TVYUQYBPSA-N 1 0 252.289 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000346962529 393098353 /nfs/dbraw/zinc/09/83/53/393098353.db2.gz GPRQKZGSXYXTMP-QGZVFWFLSA-N 1 0 297.358 3.369 20 5 CGBDRO CC(C)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000466708269 393049649 /nfs/dbraw/zinc/04/96/49/393049649.db2.gz QHWIUUBXUQHURR-CQSZACIVSA-N 1 0 292.379 3.342 20 5 CGBDRO CC(C)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000466708268 393049896 /nfs/dbraw/zinc/04/98/96/393049896.db2.gz QHWIUUBXUQHURR-AWEZNQCLSA-N 1 0 292.379 3.342 20 5 CGBDRO CCC[C@](C)(O)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468627525 393155786 /nfs/dbraw/zinc/15/57/86/393155786.db2.gz AVGCWDAEOFNITF-WQMJKPAKSA-N 1 0 292.379 3.139 20 5 CGBDRO CO[C@@H]1CCC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000470175659 393229661 /nfs/dbraw/zinc/22/96/61/393229661.db2.gz RFNCQDXOLLYCGX-LRFDDAOPSA-N 1 0 290.363 3.109 20 5 CGBDRO COCC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470179087 393231453 /nfs/dbraw/zinc/23/14/53/393231453.db2.gz SAGMGGZPYOFRPL-JLHYYAGUSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353810350 393233513 /nfs/dbraw/zinc/23/35/13/393233513.db2.gz CYPZEGDCPXETMJ-WKPIXPDZSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000268340628 393196414 /nfs/dbraw/zinc/19/64/14/393196414.db2.gz PDOHRMZHNCBXJU-JHJVBQTASA-N 1 0 260.337 3.388 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000268973836 393212656 /nfs/dbraw/zinc/21/26/56/393212656.db2.gz BEBUWUAONDVSGK-GZBFAFLISA-N 1 0 292.379 3.105 20 5 CGBDRO C[NH+](C)C1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000420630646 393511094 /nfs/dbraw/zinc/51/10/94/393511094.db2.gz SUVSVNUTTCGTSG-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000488442331 393514462 /nfs/dbraw/zinc/51/44/62/393514462.db2.gz ULSLTPIGLOZSHD-DZGCQCFKSA-N 1 0 294.420 3.257 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000490198298 393635371 /nfs/dbraw/zinc/63/53/71/393635371.db2.gz COJGWPNHIOCEHH-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000492580596 393757559 /nfs/dbraw/zinc/75/75/59/393757559.db2.gz FOQJVJPIKWUOBV-AWEZNQCLSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000502277824 393872258 /nfs/dbraw/zinc/87/22/58/393872258.db2.gz CGLTXMFJFRYOJU-BMFZPTHFSA-N 1 0 274.364 3.306 20 5 CGBDRO CC[C@@H]([NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000449635779 393930229 /nfs/dbraw/zinc/93/02/29/393930229.db2.gz CFGPZQIASBKXNP-GXIIQHASSA-N 1 0 292.379 3.137 20 5 CGBDRO COc1cc(C[NH2+][C@H](C)CC(C)(C)C)c([N+](=O)[O-])cc1O ZINC000453600596 394254843 /nfs/dbraw/zinc/25/48/43/394254843.db2.gz MGJAYKYVRDDBMJ-SNVBAGLBSA-N 1 0 296.367 3.223 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227790041 285822393 /nfs/dbraw/zinc/82/23/93/285822393.db2.gz KSPOLDBQXVEHBO-ZLKJLUDKSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186913617 292294936 /nfs/dbraw/zinc/29/49/36/292294936.db2.gz ZBOWNTXDUHQTQO-CYBMUJFWSA-N 1 0 292.379 3.059 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]2F)cc1[N+](=O)[O-] ZINC000556258038 289382574 /nfs/dbraw/zinc/38/25/74/289382574.db2.gz WCKQUVPDNIZLMR-RTXFEEFZSA-N 1 0 266.316 3.444 20 5 CGBDRO CSCCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000076764437 287035551 /nfs/dbraw/zinc/03/55/51/287035551.db2.gz QVENVQSERCQCFF-UHFFFAOYSA-N 1 0 268.382 3.136 20 5 CGBDRO C[C@H](c1ccco1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069066380 165049411 /nfs/dbraw/zinc/04/94/11/165049411.db2.gz AALVLAIUESAIRQ-GFCCVEGCSA-N 1 0 290.319 3.260 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081709761 165163996 /nfs/dbraw/zinc/16/39/96/165163996.db2.gz FNJYWPHFIZIRNC-SWLSCSKDSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000090359837 165230878 /nfs/dbraw/zinc/23/08/78/165230878.db2.gz UISVDHAFDHSNPE-SNVBAGLBSA-N 1 0 293.323 3.171 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000090859484 165247073 /nfs/dbraw/zinc/24/70/73/165247073.db2.gz NEUMYYGBYSCINE-NILFDRSVSA-N 1 0 278.352 3.203 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392847 165295537 /nfs/dbraw/zinc/29/55/37/165295537.db2.gz SEAYCAFTRBMHDB-GJZGRUSLSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@@H](C)C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000093080024 287114591 /nfs/dbraw/zinc/11/45/91/287114591.db2.gz WIRZZOSNHRPFNC-LLVKDONJSA-N 1 0 250.342 3.466 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000094948883 165394871 /nfs/dbraw/zinc/39/48/71/165394871.db2.gz DUNYPIWWMSTWBI-CZUORRHYSA-N 1 0 294.395 3.434 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)cc1 ZINC000111398780 287134577 /nfs/dbraw/zinc/13/45/77/287134577.db2.gz IGMLEYILJLEMDO-DOTOQJQBSA-N 1 0 282.343 3.488 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000121982337 287205119 /nfs/dbraw/zinc/20/51/19/287205119.db2.gz KKCBAKPODFSQPQ-MFKMUULPSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020145120 171030176 /nfs/dbraw/zinc/03/01/76/171030176.db2.gz MKDLVHHKNFYENQ-LBPRGKRZSA-N 1 0 274.320 3.299 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000284859728 196146181 /nfs/dbraw/zinc/14/61/81/196146181.db2.gz DCNMLJZFQGSBEG-CVEARBPZSA-N 1 0 290.363 3.047 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000037255489 173066144 /nfs/dbraw/zinc/06/61/44/173066144.db2.gz ZEKXQNHYGAGAPA-GFCCVEGCSA-N 1 0 250.342 3.427 20 5 CGBDRO CCOC1CC(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000285780491 196396413 /nfs/dbraw/zinc/39/64/13/196396413.db2.gz XGLOXTACETZXKF-VDSRIPIWSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000038028720 174017703 /nfs/dbraw/zinc/01/77/03/174017703.db2.gz PTSWCXWVMDIQSX-KBPBESRZSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000040675915 174373184 /nfs/dbraw/zinc/37/31/84/174373184.db2.gz VIWGPODBWJNMCK-AWEZNQCLSA-N 1 0 260.337 3.083 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CCCCC1 ZINC000134072526 287434838 /nfs/dbraw/zinc/43/48/38/287434838.db2.gz ODMPKAVOJSNWHQ-CYBMUJFWSA-N 1 0 292.379 3.249 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000179796921 260070038 /nfs/dbraw/zinc/07/00/38/260070038.db2.gz LKIPNHBSYHKLCC-SOFGYWHQSA-N 1 0 260.337 3.482 20 5 CGBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000180096991 260092658 /nfs/dbraw/zinc/09/26/58/260092658.db2.gz VFUNZRGRCKKOFE-FNORWQNLSA-N 1 0 260.337 3.482 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000192659739 262207769 /nfs/dbraw/zinc/20/77/69/262207769.db2.gz FVHNGMMCLWRAGT-IUIKQTSFSA-N 1 0 290.363 3.129 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CCC1CC1 ZINC000186319744 262314426 /nfs/dbraw/zinc/31/44/26/262314426.db2.gz YTUGLKQUCHBXBZ-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CCCCC1 ZINC000037249445 270029346 /nfs/dbraw/zinc/02/93/46/270029346.db2.gz YYGGIFARKDKEJA-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000185821726 270064330 /nfs/dbraw/zinc/06/43/30/270064330.db2.gz OOSLAOBGQXEJAR-ISZGNANSSA-N 1 0 292.379 3.135 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525275363 270118758 /nfs/dbraw/zinc/11/87/58/270118758.db2.gz XVWJTYBUETVAIV-HNNXBMFYSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000268024387 273638381 /nfs/dbraw/zinc/63/83/81/273638381.db2.gz ITNCSPMCXUDXNO-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO COC1(C[C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000429420286 274014852 /nfs/dbraw/zinc/01/48/52/274014852.db2.gz VFTJTISTTGMYCY-GFCCVEGCSA-N 1 0 292.379 3.341 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000421830137 274015858 /nfs/dbraw/zinc/01/58/58/274015858.db2.gz AXFTZJSQJVHSCM-ZDUSSCGKSA-N 1 0 292.379 3.422 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCS1)CCC2 ZINC000192951306 275038192 /nfs/dbraw/zinc/03/81/92/275038192.db2.gz ZPZQZJWZZXBMDH-UKRRQHHQSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250789385 275039411 /nfs/dbraw/zinc/03/94/11/275039411.db2.gz PLBWQIMOZGRPQR-QWRGUYRKSA-N 1 0 295.770 3.287 20 5 CGBDRO CC(C)OCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433234075 275659912 /nfs/dbraw/zinc/65/99/12/275659912.db2.gz IXMREKRGMMVECS-HNNXBMFYSA-N 1 0 292.379 3.332 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000348271339 275827984 /nfs/dbraw/zinc/82/79/84/275827984.db2.gz IKNHKISLNDBHJM-AGIUHOORSA-N 1 0 292.383 3.053 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000483874478 277360489 /nfs/dbraw/zinc/36/04/89/277360489.db2.gz VNHDFZGKIDHADP-DIOULYMOSA-N 1 0 292.379 3.449 20 5 CGBDRO COCC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000426350828 277480857 /nfs/dbraw/zinc/48/08/57/277480857.db2.gz IJMQLBIIMPGRCH-HNNXBMFYSA-N 1 0 292.379 3.234 20 5 CGBDRO COCCCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000152125864 277490218 /nfs/dbraw/zinc/49/02/18/277490218.db2.gz IUXMQHUMTMKBJW-UHFFFAOYSA-N 1 0 286.759 3.155 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000411956404 277699356 /nfs/dbraw/zinc/69/93/56/277699356.db2.gz VKCCZJNQEREXSR-BONVTDFDSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@@H](CCCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310493 278228459 /nfs/dbraw/zinc/22/84/59/278228459.db2.gz KGXPLBXBOMJQAZ-LRDDRELGSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000419372320 279099226 /nfs/dbraw/zinc/09/92/26/279099226.db2.gz MDEXZBBEFSAEQE-MXWKQRLJSA-N 1 0 266.316 3.210 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000042123170 279242275 /nfs/dbraw/zinc/24/22/75/279242275.db2.gz SYIKWVIAIXLJCH-LLVKDONJSA-N 1 0 260.337 3.358 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000512203351 281023571 /nfs/dbraw/zinc/02/35/71/281023571.db2.gz OCSXCOHQOPTFJA-MJVIPROJSA-N 1 0 280.393 3.305 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690442 281227177 /nfs/dbraw/zinc/22/71/77/281227177.db2.gz QTNXUSCBGOZMBT-PWSUYJOCSA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@H]([NH2+]C[C@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000537078065 288513298 /nfs/dbraw/zinc/51/32/98/288513298.db2.gz QTRPHFSTSUXHER-IUCAKERBSA-N 1 0 276.258 3.444 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC000548395142 289003363 /nfs/dbraw/zinc/00/33/63/289003363.db2.gz SHBXZHICPYRWBF-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000552086805 289161833 /nfs/dbraw/zinc/16/18/33/289161833.db2.gz QSBJCJIFCXALLQ-UGFHNGPFSA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC[C@H]1C ZINC000552101360 289163349 /nfs/dbraw/zinc/16/33/49/289163349.db2.gz NNEBXUUASJRCLE-BZPMIXESSA-N 1 0 294.420 3.257 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)C1CC1 ZINC000558255086 289482870 /nfs/dbraw/zinc/48/28/70/289482870.db2.gz CYDCESNRGWZXDZ-AVGNSLFASA-N 1 0 296.317 3.159 20 5 CGBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000559148442 289536837 /nfs/dbraw/zinc/53/68/37/289536837.db2.gz WFHCGXCSDVVQHC-XQHKEYJVSA-N 1 0 278.352 3.201 20 5 CGBDRO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1[N+](=O)[O-] ZINC000423017003 290031559 /nfs/dbraw/zinc/03/15/59/290031559.db2.gz NTPAFOGNHKOGKX-KNXALSJPSA-N 1 0 297.358 3.390 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414286318 301786644 /nfs/dbraw/zinc/78/66/44/301786644.db2.gz SHJOZBVOPSDUDB-XPCVCDNBSA-N 1 0 292.379 3.367 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217234 322067132 /nfs/dbraw/zinc/06/71/32/322067132.db2.gz LCURQHXJSYMTQX-YCPHGPKFSA-N 1 0 290.363 3.129 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565218486 322067530 /nfs/dbraw/zinc/06/75/30/322067530.db2.gz RIKGKPSYXPDXBS-GXFFZTMASA-N 1 0 280.393 3.313 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000566476306 322125306 /nfs/dbraw/zinc/12/53/06/322125306.db2.gz XIDWRCRTCPOALJ-TUKIKUTGSA-N 1 0 272.348 3.218 20 5 CGBDRO C[NH2+]CCSCc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000569453307 322247805 /nfs/dbraw/zinc/24/78/05/322247805.db2.gz USVOAZFRQYGLCB-UHFFFAOYSA-N 1 0 294.298 3.066 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569471019 322248419 /nfs/dbraw/zinc/24/84/19/322248419.db2.gz FDMCEVRPZJGBOV-CQSZACIVSA-N 1 0 292.379 3.234 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000573160529 322373298 /nfs/dbraw/zinc/37/32/98/322373298.db2.gz KSQRONVSMPFWQJ-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCC2(C)C)c([N+](=O)[O-])cc1F ZINC000574287736 322433162 /nfs/dbraw/zinc/43/31/62/322433162.db2.gz IZOPKRVBOGNUAB-ZDUSSCGKSA-N 1 0 282.315 3.021 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCSc2ncccc2[N+](=O)[O-])C1 ZINC000584243065 327126252 /nfs/dbraw/zinc/12/62/52/327126252.db2.gz NUROPZTZXWQQLE-VXGBXAGGSA-N 1 0 295.408 3.060 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000580387649 328800223 /nfs/dbraw/zinc/80/02/23/328800223.db2.gz HHIKHERYXMUCCY-NSHDSACASA-N 1 0 289.335 3.002 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000386183221 336167486 /nfs/dbraw/zinc/16/74/86/336167486.db2.gz HWFGEKOWYOZYIL-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)c(F)cc1[N+](=O)[O-] ZINC000387413733 336193712 /nfs/dbraw/zinc/19/37/12/336193712.db2.gz NDBOJLZUZRAWTP-UHFFFAOYSA-N 1 0 295.358 3.327 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000425511387 533819739 /nfs/dbraw/zinc/81/97/39/533819739.db2.gz CSIDRCFDYYWVRT-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090725244 533923658 /nfs/dbraw/zinc/92/36/58/533923658.db2.gz QCUWPXBODIRQMI-SMDDNHRTSA-N 1 0 294.420 3.257 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccoc2)cc1[N+](=O)[O-] ZINC000135776346 534226568 /nfs/dbraw/zinc/22/65/68/534226568.db2.gz CBFJVRFAWBOKLV-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC=CCC1 ZINC000449109026 534254114 /nfs/dbraw/zinc/25/41/14/534254114.db2.gz WWZQZIRCISMMIY-UONOGXRCSA-N 1 0 274.364 3.472 20 5 CGBDRO CC1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774812 520336666 /nfs/dbraw/zinc/33/66/66/520336666.db2.gz WWSHOIAJRLEZKQ-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094942064 521168881 /nfs/dbraw/zinc/16/88/81/521168881.db2.gz QRBAQLLKUVLIRR-WFASDCNBSA-N 1 0 280.368 3.187 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC12CC2 ZINC000424185910 527530706 /nfs/dbraw/zinc/53/07/06/527530706.db2.gz REBHNXSSDIVFBY-OIOXUXFSSA-N 1 0 258.321 3.140 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)C1CC1 ZINC000449440880 527530748 /nfs/dbraw/zinc/53/07/48/527530748.db2.gz NMUQKENRSSKHIE-JATZPVMKSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087409011 527699997 /nfs/dbraw/zinc/69/99/97/527699997.db2.gz PWYRFMGVBATKNZ-QWRGUYRKSA-N 1 0 288.351 3.049 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000417967649 527741882 /nfs/dbraw/zinc/74/18/82/527741882.db2.gz VNPRFJZMJFFPOI-AWEZNQCLSA-N 1 0 292.379 3.075 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000128059075 528092440 /nfs/dbraw/zinc/09/24/40/528092440.db2.gz CDRNQQDRCQEKLV-AWEZNQCLSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC[NH2+]CCN[C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000423313068 528514866 /nfs/dbraw/zinc/51/48/66/528514866.db2.gz TYZDBNXZQUSDBO-HNNXBMFYSA-N 1 0 279.384 3.025 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000359909424 529051294 /nfs/dbraw/zinc/05/12/94/529051294.db2.gz IHYMEVMYXZMYEV-LBPRGKRZSA-N 1 0 295.358 3.186 20 5 CGBDRO CC[C@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000173315574 529370466 /nfs/dbraw/zinc/37/04/66/529370466.db2.gz XURDPHQZOLBEFL-UKRRQHHQSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[NH+](CC)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000104663190 535598889 /nfs/dbraw/zinc/59/88/89/535598889.db2.gz GCQKEXHDZBBAEO-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738055009 572364582 /nfs/dbraw/zinc/36/45/82/572364582.db2.gz LUFVIRUHRHEIQD-SMDDNHRTSA-N 1 0 294.399 3.266 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000730807100 572377067 /nfs/dbraw/zinc/37/70/67/572377067.db2.gz YQFJZYVRVCZJGZ-TXEJJXNPSA-N 1 0 295.358 3.409 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000743864016 572409480 /nfs/dbraw/zinc/40/94/80/572409480.db2.gz RZNCKISBCMLVCO-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948100 572841046 /nfs/dbraw/zinc/84/10/46/572841046.db2.gz BKLUEQNJXIKMDG-GWCFXTLKSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)CC2CCOCC2)cc1[N+](=O)[O-] ZINC000747100451 572909254 /nfs/dbraw/zinc/90/92/54/572909254.db2.gz IBHPGYISHGPITP-CYBMUJFWSA-N 1 0 292.379 3.198 20 5 CGBDRO CCC1(CC)CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000750094049 573083503 /nfs/dbraw/zinc/08/35/03/573083503.db2.gz MYJLSLXQAPQLJW-HNNXBMFYSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1cccc([N+](=O)[O-])c1 ZINC000779346375 618130698 /nfs/dbraw/zinc/13/06/98/618130698.db2.gz WGVJSLPJFSLCIQ-WPRPVWTQSA-N 1 0 289.162 3.439 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCSC[C@H]2C2CC2)c1 ZINC000933916521 618378048 /nfs/dbraw/zinc/37/80/48/618378048.db2.gz SBKLLCTXHMMVKN-HNNXBMFYSA-N 1 0 292.404 3.312 20 5 CGBDRO CS[C@H]1CC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000235276076 618755506 /nfs/dbraw/zinc/75/55/06/618755506.db2.gz IHPLDZGJFBAUOE-OLZOCXBDSA-N 1 0 280.393 3.277 20 5 CGBDRO CC(C)C[NH+](CC(C)C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062350943 618809105 /nfs/dbraw/zinc/80/91/05/618809105.db2.gz QEWTYYRNYYLCKO-MRXNPFEDSA-N 1 0 294.395 3.242 20 5 CGBDRO Cc1cc(F)ncc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892623372 618877391 /nfs/dbraw/zinc/87/73/91/618877391.db2.gz WCUYBXCBVMPUFA-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO C[N@H+](CCCF)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000895895600 619905088 /nfs/dbraw/zinc/90/50/88/619905088.db2.gz AOIJAHNGBHFLMY-UHFFFAOYSA-N 1 0 294.248 3.405 20 5 CGBDRO CO[C@@H]1CC[C@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895944691 619914242 /nfs/dbraw/zinc/91/42/42/619914242.db2.gz GNOAYYJWJKUBGP-HIINFBLBSA-N 1 0 290.363 3.107 20 5 CGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925156146 620207030 /nfs/dbraw/zinc/20/70/30/620207030.db2.gz ZABLISTXKWKPDU-HOCLYGCPSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463448 620340469 /nfs/dbraw/zinc/34/04/69/620340469.db2.gz GGADNYYTYOZCIX-FQUUOJAGSA-N 1 0 292.379 3.244 20 5 CGBDRO C[C@H](CC1CC1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465775 620340583 /nfs/dbraw/zinc/34/05/83/620340583.db2.gz HXHFDIDJIBQSDP-VXGBXAGGSA-N 1 0 262.353 3.477 20 5 CGBDRO Cc1cnccc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465080 620340702 /nfs/dbraw/zinc/34/07/02/620340702.db2.gz SKIFNYJAXJVWFM-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2C[C@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000897960631 620457196 /nfs/dbraw/zinc/45/71/96/620457196.db2.gz XKFZAJRAVJYDAR-KWCYVHTRSA-N 1 0 260.337 3.181 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903186024 621612281 /nfs/dbraw/zinc/61/22/81/621612281.db2.gz NCDADHPWNRQQFN-NHCYSSNCSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)C1(Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000903247148 621649947 /nfs/dbraw/zinc/64/99/47/621649947.db2.gz ZMSGMRXETYVXCY-MNOVXSKESA-N 1 0 282.771 3.448 20 5 CGBDRO C[C@H](CC1CCOCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903286824 621669486 /nfs/dbraw/zinc/66/94/86/621669486.db2.gz HNYKPLZNPGUTME-CHWSQXEVSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286825 621669905 /nfs/dbraw/zinc/66/99/05/621669905.db2.gz HNYKPLZNPGUTME-QWHCGFSZSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406237 621730188 /nfs/dbraw/zinc/73/01/88/621730188.db2.gz TWWCFJKTUGEUOB-JKSUJKDBSA-N 1 0 292.379 3.187 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000227830291 623032250 /nfs/dbraw/zinc/03/22/50/623032250.db2.gz ATQQCHAKFYDGHE-STQMWFEESA-N 1 0 298.770 3.151 20 5 CGBDRO CCN(CCC[NH+](C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000230709805 623264733 /nfs/dbraw/zinc/26/47/33/623264733.db2.gz VYNABCIJWINQAG-UHFFFAOYSA-N 1 0 299.802 3.022 20 5 CGBDRO CCCCCC[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000070073250 624947337 /nfs/dbraw/zinc/94/73/37/624947337.db2.gz FXHOENPCWNKXDZ-UHFFFAOYSA-N 1 0 266.341 3.273 20 5 CGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839144556 626317015 /nfs/dbraw/zinc/31/70/15/626317015.db2.gz UXXPONWIAPGWRK-WQVCFCJDSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761050400 627011476 /nfs/dbraw/zinc/01/14/76/627011476.db2.gz JQLMCYHABKVCGX-LLVKDONJSA-N 1 0 288.269 3.287 20 5 CGBDRO CC(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761506033 627046777 /nfs/dbraw/zinc/04/67/77/627046777.db2.gz MTLLYDICZUCSDP-UHFFFAOYSA-N 1 0 256.733 3.336 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)cn1 ZINC000761522535 627047412 /nfs/dbraw/zinc/04/74/12/627047412.db2.gz SDDWJCKNGYOBEA-UHFFFAOYSA-N 1 0 291.738 3.241 20 5 CGBDRO C[C@H]([NH2+]CCNc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000766515684 627340036 /nfs/dbraw/zinc/34/00/36/627340036.db2.gz PKVVJNNCMRATRR-ZDUSSCGKSA-N 1 0 285.347 3.358 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[Si](C)(C)C)cc1[N+](=O)[O-] ZINC000775549754 628105756 /nfs/dbraw/zinc/10/57/56/628105756.db2.gz RTXKZLUWRFWXGR-LLVKDONJSA-N 1 0 266.417 3.431 20 5 CGBDRO CCC(CC)C[N@H+](CC)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776279569 628188352 /nfs/dbraw/zinc/18/83/52/628188352.db2.gz YIMLDPWJCLOMPA-MRXNPFEDSA-N 1 0 294.395 3.386 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000783310576 628702414 /nfs/dbraw/zinc/70/24/14/628702414.db2.gz POQSIFYWJIIZQT-JSGCOSHPSA-N 1 0 276.336 3.247 20 5 CGBDRO CC[N@H+](CC1CCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000794681385 629565783 /nfs/dbraw/zinc/56/57/83/629565783.db2.gz CEQALWZCUCXZGL-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CCCS1 ZINC000865724692 630476390 /nfs/dbraw/zinc/47/63/90/630476390.db2.gz DAMRQVSWKXWKFF-JHAQOBCDSA-N 1 0 292.404 3.483 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702347 630787402 /nfs/dbraw/zinc/78/74/02/630787402.db2.gz FHERDOBCGONZBY-KCJUWKMLSA-N 1 0 286.784 3.089 20 5 CGBDRO CCc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1 ZINC000809734405 630795596 /nfs/dbraw/zinc/79/55/96/630795596.db2.gz CUOZOMBOAMCAFW-UHFFFAOYSA-N 1 0 299.374 3.123 20 5 CGBDRO Cc1cc(C)cc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)c1 ZINC000809734997 630795638 /nfs/dbraw/zinc/79/56/38/630795638.db2.gz PMPIQBXCVNXYDY-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO CO[C@H](C)C[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811493736 631074023 /nfs/dbraw/zinc/07/40/23/631074023.db2.gz LYPJKWPUQGQIPA-SSDOTTSWSA-N 1 0 293.150 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCCC1(O)CCC1 ZINC000817414352 632144150 /nfs/dbraw/zinc/14/41/50/632144150.db2.gz IBZPSHSAMWGQMJ-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819115755 632381449 /nfs/dbraw/zinc/38/14/49/632381449.db2.gz OZQQPLDKVBOOSN-SLEUVZQESA-N 1 0 280.368 3.043 20 5 CGBDRO C[NH+](C)C1(C)CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000866148430 633013162 /nfs/dbraw/zinc/01/31/62/633013162.db2.gz AOTUDZMEOGXTBD-UHFFFAOYSA-N 1 0 283.397 3.331 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000866213888 633030867 /nfs/dbraw/zinc/03/08/67/633030867.db2.gz BSJFMXPBLPXMFO-JTQLQIEISA-N 1 0 278.283 3.048 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866288954 633066822 /nfs/dbraw/zinc/06/68/22/633066822.db2.gz BRJPXVWUBBZQCR-CVEARBPZSA-N 1 0 290.363 3.032 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)C1(C)CC1 ZINC000866314259 633078834 /nfs/dbraw/zinc/07/88/34/633078834.db2.gz FHJMTBPFOOIWGX-GHMZBOCLSA-N 1 0 280.343 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(C)(C)OC ZINC000866505590 633165657 /nfs/dbraw/zinc/16/56/57/633165657.db2.gz PQXXKEOPIHPWGR-NSHDSACASA-N 1 0 296.367 3.069 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000866634407 633223027 /nfs/dbraw/zinc/22/30/27/633223027.db2.gz DSFZVQCBLCYGDH-JHJVBQTASA-N 1 0 280.368 3.103 20 5 CGBDRO COC1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000826797332 633433803 /nfs/dbraw/zinc/43/38/03/633433803.db2.gz RGYVLLIMRQBPIV-UHFFFAOYSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]([NH2+]CC1(O)CCCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872031325 633950417 /nfs/dbraw/zinc/95/04/17/633950417.db2.gz OKGMPSAYMOSBID-LLVKDONJSA-N 1 0 296.342 3.080 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039229 633958823 /nfs/dbraw/zinc/95/88/23/633958823.db2.gz DUFJNFBULHRMHM-SDDRHHMPSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872051337 633974165 /nfs/dbraw/zinc/97/41/65/633974165.db2.gz JFRIHMZARIDVNC-WDEREUQCSA-N 1 0 296.342 3.342 20 5 CGBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064517 633986549 /nfs/dbraw/zinc/98/65/49/633986549.db2.gz HSQXCVAIGFGBDE-AXFHLTTASA-N 1 0 298.408 3.391 20 5 CGBDRO COC1([C@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872080227 634004224 /nfs/dbraw/zinc/00/42/24/634004224.db2.gz OUHIVFDWKUQVJI-QWRGUYRKSA-N 1 0 296.342 3.342 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872129576 634051446 /nfs/dbraw/zinc/05/14/46/634051446.db2.gz MAVVGVZJLZZJBI-WWGRRREGSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(C)(F)F ZINC000873128700 634251799 /nfs/dbraw/zinc/25/17/99/634251799.db2.gz AHRZFUPMLKUOQW-UHFFFAOYSA-N 1 0 272.295 3.347 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000873132659 634253641 /nfs/dbraw/zinc/25/36/41/634253641.db2.gz AZMQFFQNAFYVKK-GFCCVEGCSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834910503 634284032 /nfs/dbraw/zinc/28/40/32/634284032.db2.gz HYSCLLSLHLRWTD-HWPZZCPQSA-N 1 0 289.379 3.406 20 5 CGBDRO CC[C@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCCO1 ZINC000877502123 635063583 /nfs/dbraw/zinc/06/35/83/635063583.db2.gz YWDYPMUKHMNQET-AWEZNQCLSA-N 1 0 292.379 3.213 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1 ZINC000840957785 635093017 /nfs/dbraw/zinc/09/30/17/635093017.db2.gz FCTJWGAYGFNYRQ-PSASIEDQSA-N 1 0 286.784 3.232 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000877604004 635107734 /nfs/dbraw/zinc/10/77/34/635107734.db2.gz VOUWAILKXFIELN-CQSZACIVSA-N 1 0 292.379 3.211 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842930492 635514181 /nfs/dbraw/zinc/51/41/81/635514181.db2.gz VNIQOHWKYKEMQX-WKSBVSIWSA-N 1 0 275.352 3.016 20 5 CGBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843056499 635553227 /nfs/dbraw/zinc/55/32/27/635553227.db2.gz NUNIZKYWVTYLPI-ZDUSSCGKSA-N 1 0 299.802 3.053 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627192 635820791 /nfs/dbraw/zinc/82/07/91/635820791.db2.gz WGTPLMSWGZCEMG-GFCCVEGCSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000879698124 635838020 /nfs/dbraw/zinc/83/80/20/635838020.db2.gz KNCFGETYNSQRKS-UHFFFAOYSA-N 1 0 298.358 3.153 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879731693 635845894 /nfs/dbraw/zinc/84/58/94/635845894.db2.gz QNGDSYQISXIZGK-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000880515096 636013473 /nfs/dbraw/zinc/01/34/73/636013473.db2.gz PIZYLYNJLWXOBE-WQVCFCJDSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H]([NH2+]CC1(Br)CC1)c1cccc([N+](=O)[O-])c1 ZINC000846846978 636259221 /nfs/dbraw/zinc/25/92/21/636259221.db2.gz ZJRBSCJHXXAJLD-SECBINFHSA-N 1 0 299.168 3.173 20 5 CGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130729047 636504680 /nfs/dbraw/zinc/50/46/80/636504680.db2.gz QXHQDOIMBOBYPC-SMDDNHRTSA-N 1 0 294.399 3.266 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(C)CC1 ZINC000848541863 636597927 /nfs/dbraw/zinc/59/79/27/636597927.db2.gz YMCKXMYOMUWIOX-GXFFZTMASA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(CC3CC3)CC2)cs1 ZINC000883249594 636619822 /nfs/dbraw/zinc/61/98/22/636619822.db2.gz LSXLPIRDTPALIL-UHFFFAOYSA-N 1 0 266.366 3.326 20 5 CGBDRO C=C/C=C/CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883269179 636639717 /nfs/dbraw/zinc/63/97/17/636639717.db2.gz AXFVOEGRSIEBLQ-ZYOFXKKJSA-N 1 0 278.327 3.387 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000883269414 636640916 /nfs/dbraw/zinc/64/09/16/636640916.db2.gz JIWHYXPGAWUWGI-DAXOMENPSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C=CCC1)CCC2 ZINC000850510298 637096227 /nfs/dbraw/zinc/09/62/27/637096227.db2.gz SGICVPADFGGVBJ-DOMZBBRYSA-N 1 0 258.321 3.280 20 5 CGBDRO CCS[C@H]1CCCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886006878 637356383 /nfs/dbraw/zinc/35/63/83/637356383.db2.gz YCBSYFHTFWBXMZ-ZDUSSCGKSA-N 1 0 295.408 3.097 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@]2(CC=CCC2)C1 ZINC000886011358 637360365 /nfs/dbraw/zinc/36/03/65/637360365.db2.gz ZKSCUOMEAZXEQZ-INIZCTEOSA-N 1 0 287.363 3.312 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886106734 637416205 /nfs/dbraw/zinc/41/62/05/637416205.db2.gz CAROQEIAINEMKN-AWEZNQCLSA-N 1 0 271.320 3.231 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000886123264 637424652 /nfs/dbraw/zinc/42/46/52/637424652.db2.gz VOQILBSZPQSXSE-KWCYVHTRSA-N 1 0 275.352 3.000 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H](C2CCCC2)C1 ZINC000886249353 637470864 /nfs/dbraw/zinc/47/08/64/637470864.db2.gz IQVNADXIRAMUOB-ZDUSSCGKSA-N 1 0 275.352 3.002 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC(F)(F)CC1 ZINC000886271062 637476170 /nfs/dbraw/zinc/47/61/70/637476170.db2.gz WMJSNHVMCLBRCD-SNVBAGLBSA-N 1 0 299.321 3.293 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852702520 637698267 /nfs/dbraw/zinc/69/82/67/637698267.db2.gz ZETWSHUBYUSXOI-FTNCPSPGSA-N 1 0 278.327 3.497 20 5 CGBDRO COCC1([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])CCCCC1 ZINC000852771028 637709168 /nfs/dbraw/zinc/70/91/68/637709168.db2.gz JDJKNKXAYOGOED-UHFFFAOYSA-N 1 0 296.342 3.173 20 5 CGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924954264 638430603 /nfs/dbraw/zinc/43/06/03/638430603.db2.gz GKTOERZPIXQNAW-GOEBONIOSA-N 1 0 294.395 3.057 20 5 CGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924954267 638430966 /nfs/dbraw/zinc/43/09/66/638430966.db2.gz GKTOERZPIXQNAW-ZBFHGGJFSA-N 1 0 294.395 3.057 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ccnnc2)cc1[N+](=O)[O-] ZINC000925491456 638510620 /nfs/dbraw/zinc/51/06/20/638510620.db2.gz FGXGYWXSJDVIFG-NEPJUHHUSA-N 1 0 286.335 3.105 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1(Cl)CC1 ZINC000925689496 638570064 /nfs/dbraw/zinc/57/00/64/638570064.db2.gz ASMAYXJHQHBLKJ-VHSXEESVSA-N 1 0 268.744 3.405 20 5 CGBDRO C[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC[N+](=O)[O-] ZINC000929382688 638922848 /nfs/dbraw/zinc/92/28/48/638922848.db2.gz GZKVWYDWLYAVBT-MRVPVSSYSA-N 1 0 277.151 3.263 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000930234740 638985019 /nfs/dbraw/zinc/98/50/19/638985019.db2.gz GJEVFLFLVGUVKH-RFQIPJPRSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@@H](c1ccccc1)[N@H+](CC[N+](=O)[O-])C(C)C ZINC000931064062 639106110 /nfs/dbraw/zinc/10/61/10/639106110.db2.gz LFOSJOUSTYQZAR-AWEZNQCLSA-N 1 0 250.342 3.125 20 5 CGBDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000859319363 639127985 /nfs/dbraw/zinc/12/79/85/639127985.db2.gz OJXMQGUQAXQGDH-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)(C)OC[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932168607 639284239 /nfs/dbraw/zinc/28/42/39/639284239.db2.gz PTBDXWQFCSSPSB-AWEZNQCLSA-N 1 0 292.379 3.374 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000932177753 639287415 /nfs/dbraw/zinc/28/74/15/639287415.db2.gz QXAPCJVZXNSOKG-GFCCVEGCSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H]([NH2+]CCCCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000932181047 639288926 /nfs/dbraw/zinc/28/89/26/639288926.db2.gz YYHRNSAADPJLLZ-CYBMUJFWSA-N 1 0 280.368 3.188 20 5 CGBDRO C[C@H]([NH2+][C@H](CCO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000934007119 639523223 /nfs/dbraw/zinc/52/32/23/639523223.db2.gz VUFIJYDDQYRPSN-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000189717491 640205467 /nfs/dbraw/zinc/20/54/67/640205467.db2.gz HUUSJZQCQOAIRJ-LBPRGKRZSA-N 1 0 298.770 3.295 20 5 CGBDRO C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000195252990 640575600 /nfs/dbraw/zinc/57/56/00/640575600.db2.gz LRUFHGOTZBSXIE-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccn2)CC1 ZINC001254537978 806446608 /nfs/dbraw/zinc/44/66/08/806446608.db2.gz LFHPIANUDMHXOS-ZDUSSCGKSA-N 1 0 297.358 3.200 20 5 CGBDRO CC(C)O[C@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565355 806451737 /nfs/dbraw/zinc/45/17/37/806451737.db2.gz OPRNKJMWVKGKRU-HIFRSBDPSA-N 1 0 292.379 3.025 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254570848 806452681 /nfs/dbraw/zinc/45/26/81/806452681.db2.gz PXYWTEHGSVICMI-WPGHFRTFSA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC1(F)CCCCC1)C2 ZINC001254572532 806454073 /nfs/dbraw/zinc/45/40/73/806454073.db2.gz PQRGJKAXTPDYAN-AWEZNQCLSA-N 1 0 292.354 3.324 20 5 CGBDRO Cc1ccc(C)c(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572648 806454672 /nfs/dbraw/zinc/45/46/72/806454672.db2.gz RIPYMSCVQXHRHK-QGZVFWFLSA-N 1 0 296.370 3.469 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1CCCC(F)(F)C1)C2 ZINC001254576348 806454842 /nfs/dbraw/zinc/45/48/42/806454842.db2.gz VQRAORKJEDOAPO-QWHCGFSZSA-N 1 0 296.317 3.230 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588223 806456027 /nfs/dbraw/zinc/45/60/27/806456027.db2.gz WQNYPKDHNHJGHJ-WFASDCNBSA-N 1 0 288.391 3.478 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC3(CCCC3)C1)C2 ZINC001254601236 806458379 /nfs/dbraw/zinc/45/83/79/806458379.db2.gz WLWRYSSLQWHIPQ-INIZCTEOSA-N 1 0 286.375 3.328 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CC3(C1)CCCCC3)C2 ZINC001254608250 806460156 /nfs/dbraw/zinc/46/01/56/806460156.db2.gz PZHQXEQXYZUBNC-INIZCTEOSA-N 1 0 286.375 3.328 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NC[C@H]2CCC[NH2+]C[C@H]2C)c1F ZINC001162467689 806592185 /nfs/dbraw/zinc/59/21/85/806592185.db2.gz RTEJBCCPGYSGCX-VXGBXAGGSA-N 1 0 295.358 3.090 20 5 CGBDRO COc1cc(C)c([N+](=O)[O-])cc1NC(=[NH2+])C(C)(C)C ZINC001162664989 806643278 /nfs/dbraw/zinc/64/32/78/806643278.db2.gz ZXPKZHFZDTZCDL-UHFFFAOYSA-N 1 0 265.313 3.347 20 5 CGBDRO CC1(C)C(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000092816495 798958377 /nfs/dbraw/zinc/95/83/77/798958377.db2.gz NFWJWNZIBNMALR-UHFFFAOYSA-N 1 0 276.380 3.409 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(C(F)F)c1 ZINC000111290753 798983868 /nfs/dbraw/zinc/98/38/68/798983868.db2.gz PIJQEXMPJPWPCP-SECBINFHSA-N 1 0 297.305 3.181 20 5 CGBDRO O=[N+]([O-])c1ccc(OC[C@@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000697087210 799842935 /nfs/dbraw/zinc/84/29/35/799842935.db2.gz OJRNDPFPFGFXGT-SNVBAGLBSA-N 1 0 284.743 3.017 20 5 CGBDRO CC1(O)CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000703585747 799927277 /nfs/dbraw/zinc/92/72/77/799927277.db2.gz HIHDXRYWUAQHDZ-UHFFFAOYSA-N 1 0 298.770 3.031 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCCC3)cc1F ZINC000707130265 799973323 /nfs/dbraw/zinc/97/33/23/799973323.db2.gz FPPMQMCOXOWZEJ-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707144910 799973980 /nfs/dbraw/zinc/97/39/80/799973980.db2.gz OERXELXABGKZPD-UWVGGRQHSA-N 1 0 252.289 3.107 20 5 CGBDRO C[N@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1(C)CC1 ZINC000710453170 800034639 /nfs/dbraw/zinc/03/46/39/800034639.db2.gz AKAMUAZTLBICBL-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@]23C[C@@H]2CCCC3)cs1 ZINC000710513409 800035339 /nfs/dbraw/zinc/03/53/39/800035339.db2.gz RRUXIFDGFVVVSZ-WCQYABFASA-N 1 0 266.366 3.326 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cs1 ZINC001118565616 802585124 /nfs/dbraw/zinc/58/51/24/802585124.db2.gz PDUVNPZJQOVEOU-BBBLOLIVSA-N 1 0 288.319 3.180 20 5 CGBDRO CC(C)[NH+]1CC(Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001168317315 807382408 /nfs/dbraw/zinc/38/24/08/807382408.db2.gz KINDDBBUMMKSSE-UHFFFAOYSA-N 1 0 285.347 3.253 20 5 CGBDRO CC(C)[NH+]1CC(Nc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001168316998 807382614 /nfs/dbraw/zinc/38/26/14/807382614.db2.gz CUWKGOSYKOACEL-UHFFFAOYSA-N 1 0 285.347 3.253 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H]1CC(C)(C)O1 ZINC001168457588 807422697 /nfs/dbraw/zinc/42/26/97/807422697.db2.gz ZDMKWCZAZJPCTJ-HNNXBMFYSA-N 1 0 277.432 3.262 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001168956846 807541562 /nfs/dbraw/zinc/54/15/62/807541562.db2.gz GBTXPTFAQXLZOM-CJNGLKHVSA-N 1 0 284.359 3.375 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001168956847 807541855 /nfs/dbraw/zinc/54/18/55/807541855.db2.gz GBTXPTFAQXLZOM-CZUORRHYSA-N 1 0 284.359 3.375 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977333 807545338 /nfs/dbraw/zinc/54/53/38/807545338.db2.gz AHMLDAOKADBEEE-VNHYZAJKSA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC001168976481 807545363 /nfs/dbraw/zinc/54/53/63/807545363.db2.gz DBWBMKOAUUHUCG-FZMZJTMJSA-N 1 0 294.782 3.364 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2csc3ccccc23)C1 ZINC001168984946 807546679 /nfs/dbraw/zinc/54/66/79/807546679.db2.gz BMLOCNYLXHQZLS-WCQYABFASA-N 1 0 290.388 3.436 20 5 CGBDRO CC(C)C1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168990258 807548132 /nfs/dbraw/zinc/54/81/32/807548132.db2.gz ZCVGBLYVFDDFKL-XSCHDIRWSA-N 1 0 268.401 3.236 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC001169006234 807550325 /nfs/dbraw/zinc/55/03/25/807550325.db2.gz WVAZNCGXEZWHGD-FRFSOERESA-N 1 0 288.391 3.489 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169002029 807550688 /nfs/dbraw/zinc/55/06/88/807550688.db2.gz JHXTZJXOLBAHAX-FRFSOERESA-N 1 0 288.391 3.407 20 5 CGBDRO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169024373 807554545 /nfs/dbraw/zinc/55/45/45/807554545.db2.gz GUMXMFVERYLCAD-TZMCWYRMSA-N 1 0 282.771 3.217 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C12CC3CC(CC(C3)C1)C2 ZINC001169021963 807554694 /nfs/dbraw/zinc/55/46/94/807554694.db2.gz BMDUWLKKOVESIA-BWAJOPIQSA-N 1 0 292.423 3.332 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCc3c(Cl)cccc3C2)C1 ZINC001169035813 807555452 /nfs/dbraw/zinc/55/54/52/807555452.db2.gz CKOCEYLEQIHKCX-WCQYABFASA-N 1 0 294.782 3.144 20 5 CGBDRO CC(C)c1nc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cs1 ZINC001169040235 807557896 /nfs/dbraw/zinc/55/78/96/807557896.db2.gz YYYJRKDTPIPSOC-WCQYABFASA-N 1 0 297.424 3.144 20 5 CGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC001169285467 807623556 /nfs/dbraw/zinc/62/35/56/807623556.db2.gz WIUVABYCHIBBIH-GXTWGEPZSA-N 1 0 294.399 3.000 20 5 CGBDRO COc1ccc(C[C@H](C)[N@H+](C)CC(C)C)c([N+](=O)[O-])c1 ZINC001170329607 807826117 /nfs/dbraw/zinc/82/61/17/807826117.db2.gz SHKKLNFPDSEAJG-LBPRGKRZSA-N 1 0 280.368 3.122 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@@H]1CCCC[NH2+]1 ZINC001171334274 808029734 /nfs/dbraw/zinc/02/97/34/808029734.db2.gz LAFLNTVLXPQNQW-ZDUSSCGKSA-N 1 0 277.368 3.074 20 5 CGBDRO C[Si](C)(C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912967 808477834 /nfs/dbraw/zinc/47/78/34/808477834.db2.gz SBVGPCZFNBWQEF-CQSZACIVSA-N 1 0 292.455 3.309 20 5 CGBDRO CCCC[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175916 808533047 /nfs/dbraw/zinc/53/30/47/808533047.db2.gz UYCOXTPLKGSBLV-SNVBAGLBSA-N 1 0 284.331 3.063 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CCCC2 ZINC001173221885 808539602 /nfs/dbraw/zinc/53/96/02/808539602.db2.gz QQCVQJCHGRKKEZ-SWLSCSKDSA-N 1 0 274.364 3.448 20 5 CGBDRO CCC[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218133 808539851 /nfs/dbraw/zinc/53/98/51/808539851.db2.gz BJNXAZYKQSTEQX-NWDGAFQWSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C=CCCC1 ZINC001173222906 808539916 /nfs/dbraw/zinc/53/99/16/808539916.db2.gz FZFFSRGMKZLJGW-OCCSQVGLSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001173232294 808542772 /nfs/dbraw/zinc/54/27/72/808542772.db2.gz DRCWQJHKGGBPAH-CORIIIEPSA-N 1 0 260.337 3.010 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232461 808542791 /nfs/dbraw/zinc/54/27/91/808542791.db2.gz GVBHFNVABYTPIB-CJNGLKHVSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001173232366 808542821 /nfs/dbraw/zinc/54/28/21/808542821.db2.gz FRWGPWMDHNLXMC-TUKIKUTGSA-N 1 0 274.364 3.114 20 5 CGBDRO Cc1ccc2[nH+]c(N)n(-c3ccc(/C=C/[N+](=O)[O-])cc3)c2c1 ZINC001175900073 809566906 /nfs/dbraw/zinc/56/69/06/809566906.db2.gz HEQZCHSBYXINHB-CMDGGOBGSA-N 1 0 294.314 3.164 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001178205755 809852414 /nfs/dbraw/zinc/85/24/14/809852414.db2.gz SYOZWGMITIFIMD-OSAQELSMSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c(C[NH2+]CC[C@H]2CC(C)(C)CO2)cccc1[N+](=O)[O-] ZINC001179580023 809931463 /nfs/dbraw/zinc/93/14/63/809931463.db2.gz ZWZZZCWXNNKXBW-AWEZNQCLSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001183345203 810145766 /nfs/dbraw/zinc/14/57/66/810145766.db2.gz GFFWNTNPZZMCKX-ZIAGYGMSSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@@H]1CN(c2ccsc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001187625011 810410050 /nfs/dbraw/zinc/41/00/50/810410050.db2.gz MPAGRKKLGNHWME-LLVKDONJSA-N 1 0 295.408 3.109 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C(C)(C)C1 ZINC001193210169 810864435 /nfs/dbraw/zinc/86/44/35/810864435.db2.gz KQUNTPDYSVWLCC-GFCCVEGCSA-N 1 0 292.379 3.471 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)ccn1 ZINC001203517009 812379035 /nfs/dbraw/zinc/37/90/35/812379035.db2.gz HXGJZYJYYQYLSH-RIYZIHGNSA-N 1 0 297.358 3.491 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC[C@@H]2C=CCC2)c1 ZINC001203553433 812389985 /nfs/dbraw/zinc/38/99/85/812389985.db2.gz GQEVZCHWQRCYGN-CYBMUJFWSA-N 1 0 260.337 3.431 20 5 CGBDRO C[NH+](C)Cc1cccc(Nc2ccccc2[N+](=O)[O-])c1 ZINC001206164233 813220526 /nfs/dbraw/zinc/22/05/26/813220526.db2.gz GASMJIULTKIQDZ-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO C[NH2+][C@H]1C[C@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001217765897 815957805 /nfs/dbraw/zinc/95/78/05/815957805.db2.gz OKLASAXPVGGOQG-JOCQHMNTSA-N 1 0 286.331 3.015 20 5 CGBDRO c1ccc2nc3cc(O[C@@H]4CCCC[NH2+]C4)ccc3nc2c1 ZINC001217971916 816024476 /nfs/dbraw/zinc/02/44/76/816024476.db2.gz ZNNBOGPDAOTVST-CQSZACIVSA-N 1 0 293.370 3.304 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCCC[NH2+]C2)c2ccccc21 ZINC001217973835 816026795 /nfs/dbraw/zinc/02/67/95/816026795.db2.gz ZMUKPHUUEOYZPE-GFCCVEGCSA-N 1 0 286.331 3.269 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[NH2+]C[C@H]1C ZINC001217983420 816032184 /nfs/dbraw/zinc/03/21/84/816032184.db2.gz CBIHDDUDPKWURV-PWSUYJOCSA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001217996863 816043048 /nfs/dbraw/zinc/04/30/48/816043048.db2.gz WHFSUKYMHYQPEZ-SMDDNHRTSA-N 1 0 292.379 3.287 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001218028604 816063363 /nfs/dbraw/zinc/06/33/63/816063363.db2.gz HCKSGZSHGIVIES-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)CC[NH2+]1 ZINC001218048773 816074432 /nfs/dbraw/zinc/07/44/32/816074432.db2.gz GTNCGQZVUAYKLL-NEPJUHHUSA-N 1 0 286.331 3.267 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218067070 816084901 /nfs/dbraw/zinc/08/49/01/816084901.db2.gz QNFZYGAISXYODC-GDBMZVCRSA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1Cl ZINC001218089829 816091588 /nfs/dbraw/zinc/09/15/88/816091588.db2.gz BASGBILFMXUGRN-OCCSQVGLSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CCC[NH2+]C3)c2)c1 ZINC001218285304 816152635 /nfs/dbraw/zinc/15/26/35/816152635.db2.gz JFYQAHYQJSGCBI-KRWDZBQOSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001218393197 816188613 /nfs/dbraw/zinc/18/86/13/816188613.db2.gz SWLZHMXIIGMXIL-ZBEGNZNMSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218394881 816189795 /nfs/dbraw/zinc/18/97/95/816189795.db2.gz ZMPGQWSSIISGKT-ZBEGNZNMSA-N 1 0 264.328 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218400872 816194643 /nfs/dbraw/zinc/19/46/43/816194643.db2.gz ZMCNRHOUTJGXDN-HNNXBMFYSA-N 1 0 298.342 3.269 20 5 CGBDRO CC1(C)C[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC001218473418 816230726 /nfs/dbraw/zinc/23/07/26/816230726.db2.gz YVRUZWGOZQTHIM-JTQLQIEISA-N 1 0 284.743 3.158 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223428339 816628518 /nfs/dbraw/zinc/62/85/18/816628518.db2.gz FKNRIRXSXIOQQG-OLZOCXBDSA-N 1 0 280.368 3.403 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(C(C)(C)C)cc1 ZINC001225257443 816983813 /nfs/dbraw/zinc/98/38/13/816983813.db2.gz KYPRSOHNERLTDZ-ZDUSSCGKSA-N 1 0 250.406 3.458 20 5 CGBDRO Cc1ccc2cccnc2c1O[C@H](C)C[N+](C)(C)C ZINC001225479111 817066970 /nfs/dbraw/zinc/06/69/70/817066970.db2.gz KRMAGNZKCQSPAO-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO Cc1ccnc2c(O[C@H](C)C[N+](C)(C)C)cccc12 ZINC001225495597 817075148 /nfs/dbraw/zinc/07/51/48/817075148.db2.gz FOAVZFZFOAKZJH-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001225710167 817152554 /nfs/dbraw/zinc/15/25/54/817152554.db2.gz HPUJGQVZXWCZFR-GDNZZTSVSA-N 1 0 296.754 3.252 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713585 817153483 /nfs/dbraw/zinc/15/34/83/817153483.db2.gz VGHOSTCBTUOTAL-GFCCVEGCSA-N 1 0 298.770 3.500 20 5 CGBDRO CC(=O)c1cc(Cl)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225745660 817165414 /nfs/dbraw/zinc/16/54/14/817165414.db2.gz LSPPWWWGEYCWRY-JTQLQIEISA-N 1 0 270.780 3.016 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1Cl ZINC001226810254 817472527 /nfs/dbraw/zinc/47/25/27/817472527.db2.gz LNOGBKJSSRWKIK-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(C)(C)C ZINC001227469525 817655986 /nfs/dbraw/zinc/65/59/86/817655986.db2.gz BANQGARWFNYGFP-CYBMUJFWSA-N 1 0 250.406 3.458 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)c2cccc(F)c2n1 ZINC001228489909 817919896 /nfs/dbraw/zinc/91/98/96/817919896.db2.gz CQHORGFQDAJDRC-LBPRGKRZSA-N 1 0 277.363 3.156 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228522905 817927376 /nfs/dbraw/zinc/92/73/76/817927376.db2.gz QPJOOTIOLJDENS-ZDUSSCGKSA-N 1 0 293.370 3.256 20 5 CGBDRO Cc1cc2ccccc2c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001228738238 817994473 /nfs/dbraw/zinc/99/44/73/817994473.db2.gz DCLANZLWHWSRTJ-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO CCc1ccc(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001233761864 818700699 /nfs/dbraw/zinc/70/06/99/818700699.db2.gz QFZRYSZPISCKEP-NSHDSACASA-N 1 0 256.797 3.376 20 5 CGBDRO Cc1cc(Cl)cc(C)c1O[C@H](C)C[N+](C)(C)C ZINC001234351022 818843619 /nfs/dbraw/zinc/84/36/19/818843619.db2.gz FSYONJCCXUHQNO-GFCCVEGCSA-N 1 0 256.797 3.430 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c(F)c1F ZINC001234942681 818959461 /nfs/dbraw/zinc/95/94/61/818959461.db2.gz KUAPIPIWWZDZGF-QMMMGPOBSA-N 1 0 264.723 3.092 20 5 CGBDRO C[NH+](C)CCNC(=O)c1c2ccccc2cc2ccccc21 ZINC000001612891 937226109 /nfs/dbraw/zinc/22/61/09/937226109.db2.gz SOVAEESUBCICMI-UHFFFAOYSA-N 1 0 292.382 3.284 20 5 CGBDRO Cc1cc(NC[C@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])s1 ZINC001458367328 937460377 /nfs/dbraw/zinc/46/03/77/937460377.db2.gz JAXYYWMRGSBFAQ-GFCCVEGCSA-N 1 0 297.424 3.497 20 5 CGBDRO Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001458488325 937465260 /nfs/dbraw/zinc/46/52/60/937465260.db2.gz DVIWEOFRRGXMMX-LSDHHAIUSA-N 1 0 289.379 3.188 20 5 CGBDRO CC[C@H](OCCC[N+](C)(C)C)c1ccccc1F ZINC001224621521 932037887 /nfs/dbraw/zinc/03/78/87/932037887.db2.gz WTYMZPLMTGVJDI-HNNXBMFYSA-N 1 0 254.369 3.390 20 5 CGBDRO C[C@@H](OCCC[N+](C)(C)C)c1cccc(F)c1F ZINC001224621969 932038021 /nfs/dbraw/zinc/03/80/21/932038021.db2.gz DKKOFBBUSZXJNV-LLVKDONJSA-N 1 0 258.332 3.139 20 5 CGBDRO COc1cccc2c(O[C@@H](C)C[N+](C)(C)C)cccc12 ZINC001229810505 932486857 /nfs/dbraw/zinc/48/68/57/932486857.db2.gz HJMVYOINHXADDR-ZDUSSCGKSA-N 1 0 274.384 3.322 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229880381 932497840 /nfs/dbraw/zinc/49/78/40/932497840.db2.gz BXIPMHGYQBQONG-WDNDVIMCSA-N 1 0 290.363 3.216 20 5 CGBDRO Cc1cccc2sc(O[C@@H](C)C[N+](C)(C)C)nc21 ZINC001229933091 932503483 /nfs/dbraw/zinc/50/34/83/932503483.db2.gz MNRHKHLTWIPKHS-NSHDSACASA-N 1 0 265.402 3.078 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229965136 932511448 /nfs/dbraw/zinc/51/14/48/932511448.db2.gz YOPCWVJLVTZOQI-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2ccc(Cl)cc2c1 ZINC001230591147 932595665 /nfs/dbraw/zinc/59/56/65/932595665.db2.gz OATLZJKEPORDHF-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230914789 932641513 /nfs/dbraw/zinc/64/15/13/932641513.db2.gz KEQBGZCIDASIJA-XYPYZODXSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC001307710417 932990043 /nfs/dbraw/zinc/99/00/43/932990043.db2.gz UZIKIATUJNVOEP-IOASZLSFSA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc2nccn21)c1ccccc1[N+](=O)[O-] ZINC001308509878 933122651 /nfs/dbraw/zinc/12/26/51/933122651.db2.gz UYBIEYFIGXIZIY-LBPRGKRZSA-N 1 0 296.330 3.093 20 5 CGBDRO CC1([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001320094680 933999977 /nfs/dbraw/zinc/99/99/77/933999977.db2.gz MHKHSGXVXCFXJO-JSGCOSHPSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H]([NH2+]CC[N+](=O)[O-])C(c1ccccc1)c1ccccc1 ZINC001332868773 935492890 /nfs/dbraw/zinc/49/28/90/935492890.db2.gz YPKRBDWWCQUGPK-AWEZNQCLSA-N 1 0 284.359 3.073 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001333465013 935538023 /nfs/dbraw/zinc/53/80/23/935538023.db2.gz DFMBECIVTMWPNE-AWEZNQCLSA-N 1 0 289.310 3.370 20 5 CGBDRO CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001474029933 937836836 /nfs/dbraw/zinc/83/68/36/937836836.db2.gz ZPSPOHBWZCCDDG-ZBFHGGJFSA-N 1 0 292.379 3.136 20 5 CGBDRO Cc1ccc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069012 938219712 /nfs/dbraw/zinc/21/97/12/938219712.db2.gz XGVGGQGKWYQFGV-KBPBESRZSA-N 1 0 291.395 3.436 20 5 CGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC001559155393 938221300 /nfs/dbraw/zinc/22/13/00/938221300.db2.gz HKLKYQFMGBLJER-QWRGUYRKSA-N 1 0 297.786 3.167 20 5 CGBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC001559795804 938235741 /nfs/dbraw/zinc/23/57/41/938235741.db2.gz PIHZCWHIABXNAA-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1C[C@@H]2CC[C@@H](C2)C1 ZINC001560458247 938259402 /nfs/dbraw/zinc/25/94/02/938259402.db2.gz HYNHBCOHRWYGNW-AGGWBTHJSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001560809695 938277302 /nfs/dbraw/zinc/27/73/02/938277302.db2.gz VIOPBAVMOAKADL-ZIAGYGMSSA-N 1 0 291.395 3.186 20 5 CGBDRO CNc1ccccc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC001560825827 938278120 /nfs/dbraw/zinc/27/81/20/938278120.db2.gz YUUJZSJCLFETBO-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO O=[N+]([O-])c1ccc(SCCC2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC001580875574 962741585 /nfs/dbraw/zinc/74/15/85/962741585.db2.gz NPHKGNCRCOVEEC-YOGCLGLASA-N 1 0 293.392 3.003 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000337489713 214116666 /nfs/dbraw/zinc/11/66/66/214116666.db2.gz VHIJQHJGAUTJQU-SNPRPXQTSA-N 1 0 260.337 3.263 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(C3CC3)CC2)cc1 ZINC000590008730 346821865 /nfs/dbraw/zinc/82/18/65/346821865.db2.gz ZKHVXZPGUJERQB-UHFFFAOYSA-N 1 0 290.363 3.096 20 5 CGBDRO C[C@@H](CF)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590370079 346844451 /nfs/dbraw/zinc/84/44/51/346844451.db2.gz VFKQMPYMOCQENW-OBJOEFQTSA-N 1 0 280.343 3.254 20 5 CGBDRO CSCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347901 346917129 /nfs/dbraw/zinc/91/71/29/346917129.db2.gz SYVZRXJUXBYUPH-CQSZACIVSA-N 1 0 280.393 3.315 20 5 CGBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295068743 199328796 /nfs/dbraw/zinc/32/87/96/199328796.db2.gz HDNSZESUBFVGNI-CQSZACIVSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CCC3)CC2)cs1 ZINC000593080945 347036628 /nfs/dbraw/zinc/03/66/28/347036628.db2.gz NBBIYVAFHRXFLX-UHFFFAOYSA-N 1 0 252.339 3.079 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CNc3ccccc3C2)cc1[N+](=O)[O-] ZINC000593317148 347062405 /nfs/dbraw/zinc/06/24/05/347062405.db2.gz RDZKSGXCKQTGQL-OAHLLOKOSA-N 1 0 297.358 3.030 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC000339004462 214892719 /nfs/dbraw/zinc/89/27/19/214892719.db2.gz WVVBUFXMFPLKCC-OLZOCXBDSA-N 1 0 277.368 3.270 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000050965686 345086343 /nfs/dbraw/zinc/08/63/43/345086343.db2.gz BPQCZPHHERKGPD-UHFFFAOYSA-N 1 0 290.363 3.094 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051125486 345087029 /nfs/dbraw/zinc/08/70/29/345087029.db2.gz QARFFOVGHKBLGW-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO CC(C)[N@H+](Cc1cccc([N+](=O)[O-])c1)Cc1ccccn1 ZINC000052218298 345100091 /nfs/dbraw/zinc/10/00/91/345100091.db2.gz CIBQWRPPRHUPNF-UHFFFAOYSA-N 1 0 285.347 3.400 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccncc1 ZINC000067446446 345321442 /nfs/dbraw/zinc/32/14/42/345321442.db2.gz JAMVHPXLVBJUSB-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)c1 ZINC000075768745 232175283 /nfs/dbraw/zinc/17/52/83/232175283.db2.gz NCVXCNRLYUKRMF-HIFRSBDPSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075895107 345526461 /nfs/dbraw/zinc/52/64/61/345526461.db2.gz JYMQABNGUIKVOA-TUAOUCFPSA-N 1 0 280.393 3.482 20 5 CGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000091482702 345816501 /nfs/dbraw/zinc/81/65/01/345816501.db2.gz YZEZTRFDDMCZSR-NSHDSACASA-N 1 0 297.786 3.310 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3cccnc32)cc1 ZINC000091661074 345819679 /nfs/dbraw/zinc/81/96/79/345819679.db2.gz NZRWYTYTYDJNMV-HNNXBMFYSA-N 1 0 283.331 3.157 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088702899 345763285 /nfs/dbraw/zinc/76/32/85/345763285.db2.gz JGBNWDLOIIWECF-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726410 345764500 /nfs/dbraw/zinc/76/45/00/345764500.db2.gz NEYFOFGUFVEWMC-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO Cc1noc(C)c1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000092332179 345835984 /nfs/dbraw/zinc/83/59/84/345835984.db2.gz HUPYARUNYFUGNP-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173362476 232281331 /nfs/dbraw/zinc/28/13/31/232281331.db2.gz PCLKEPMSOSYQGC-WFASDCNBSA-N 1 0 298.342 3.249 20 5 CGBDRO CCC1(CC)CCC([NH2+]CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000593606274 347093939 /nfs/dbraw/zinc/09/39/39/347093939.db2.gz PCIURTAIOQXEJW-UHFFFAOYSA-N 1 0 294.399 3.130 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCS[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000310775634 346471996 /nfs/dbraw/zinc/47/19/96/346471996.db2.gz DQGNBWGAFUTBBE-OUJBWJOFSA-N 1 0 266.366 3.139 20 5 CGBDRO C[NH+](C)C1(CNc2ccc(C(F)F)cc2[N+](=O)[O-])CCC1 ZINC000314221612 346481125 /nfs/dbraw/zinc/48/11/25/346481125.db2.gz XBXBRFXMFMTBLY-UHFFFAOYSA-N 1 0 299.321 3.429 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCCc3cccnc32)cccc1[N+](=O)[O-] ZINC000318192224 346487192 /nfs/dbraw/zinc/48/71/92/346487192.db2.gz SNLHUYYQDAIKHQ-HNNXBMFYSA-N 1 0 297.358 3.465 20 5 CGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000324052717 346490843 /nfs/dbraw/zinc/49/08/43/346490843.db2.gz YOSOSFUDQAPQND-AWEZNQCLSA-N 1 0 266.316 3.258 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000268973838 232538269 /nfs/dbraw/zinc/53/82/69/232538269.db2.gz BEBUWUAONDVSGK-KCQAQPDRSA-N 1 0 292.379 3.105 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000588865071 346771588 /nfs/dbraw/zinc/77/15/88/346771588.db2.gz GVCMGUFOGSBOIR-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000588978216 346779818 /nfs/dbraw/zinc/77/98/18/346779818.db2.gz QEEGOVVEOANSMI-AWEZNQCLSA-N 1 0 290.363 3.096 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593722522 347108785 /nfs/dbraw/zinc/10/87/85/347108785.db2.gz SXJMQUKMLGVPAW-LRDDRELGSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000594023486 347138775 /nfs/dbraw/zinc/13/87/75/347138775.db2.gz QEQHATOFLFFLFE-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594603399 347200989 /nfs/dbraw/zinc/20/09/89/347200989.db2.gz UXGZJYZMVASBDK-WDEREUQCSA-N 1 0 281.381 3.085 20 5 CGBDRO COc1cccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594490665 347177109 /nfs/dbraw/zinc/17/71/09/347177109.db2.gz PDGQZPITXMBPJB-INIZCTEOSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594497615 347179070 /nfs/dbraw/zinc/17/90/70/347179070.db2.gz IQLBDILYNJFIDI-SGIREYDYSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000594502080 347180708 /nfs/dbraw/zinc/18/07/08/347180708.db2.gz CTUZWAIPQMOJKX-IINYFYTJSA-N 1 0 260.337 3.218 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccccn2)cc1[N+](=O)[O-] ZINC000594956921 347240236 /nfs/dbraw/zinc/24/02/36/347240236.db2.gz XXZQGFVREHJXQF-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594978166 347247079 /nfs/dbraw/zinc/24/70/79/347247079.db2.gz QNQGRWFDWUJMJA-LBPRGKRZSA-N 1 0 270.279 3.120 20 5 CGBDRO CC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594980536 347248035 /nfs/dbraw/zinc/24/80/35/347248035.db2.gz RKAUMJBKPRBHHZ-BRLPQQTGSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594984595 347249162 /nfs/dbraw/zinc/24/91/62/347249162.db2.gz JSQQKJIPNSFWLT-GFCCVEGCSA-N 1 0 270.279 3.038 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595106740 347285154 /nfs/dbraw/zinc/28/51/54/347285154.db2.gz KDLCYZHCLQBUHS-YPMHNXCESA-N 1 0 278.352 3.061 20 5 CGBDRO CCC(CC)C[N@H+](CC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595294727 347288209 /nfs/dbraw/zinc/28/82/09/347288209.db2.gz DALZIKOJEOLRIO-UHFFFAOYSA-N 1 0 269.345 3.149 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595316133 347290902 /nfs/dbraw/zinc/29/09/02/347290902.db2.gz CFOYNONLTXUANG-JTQLQIEISA-N 1 0 254.305 3.212 20 5 CGBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595327993 347291757 /nfs/dbraw/zinc/29/17/57/347291757.db2.gz TXSFNASOSCXONP-ADEWGFFLSA-N 1 0 279.340 3.044 20 5 CGBDRO Cc1noc(C[N@H+]2CCC[C@@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595343816 347294636 /nfs/dbraw/zinc/29/46/36/347294636.db2.gz JZFIVMMQIPZYNT-LBPRGKRZSA-N 1 0 281.356 3.149 20 5 CGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386759 347297591 /nfs/dbraw/zinc/29/75/91/347297591.db2.gz RJMROGYQPCEVNU-ZYHUDNBSSA-N 1 0 281.356 3.292 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C1CC1 ZINC000595005123 347254403 /nfs/dbraw/zinc/25/44/03/347254403.db2.gz DAKJGXKJXLPMKB-MNOVXSKESA-N 1 0 278.352 3.300 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC=CCC1 ZINC000595018748 347258960 /nfs/dbraw/zinc/25/89/60/347258960.db2.gz FYTJQIFGOKBABR-NWDGAFQWSA-N 1 0 276.336 3.363 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595080341 347278844 /nfs/dbraw/zinc/27/88/44/347278844.db2.gz KLKNJXAAUYIINM-QMTHXVAHSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595080339 347278871 /nfs/dbraw/zinc/27/88/71/347278871.db2.gz KLKNJXAAUYIINM-HZMBPMFUSA-N 1 0 278.352 3.443 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccoc1 ZINC000595092505 347280999 /nfs/dbraw/zinc/28/09/99/347280999.db2.gz YIPNUIUOVFLBLP-ZDUSSCGKSA-N 1 0 288.347 3.341 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H](CCF)C2)cc1[N+](=O)[O-] ZINC000595754734 347350239 /nfs/dbraw/zinc/35/02/39/347350239.db2.gz BPCJKKNJJGDEQN-GFCCVEGCSA-N 1 0 296.342 3.175 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](CCF)C2)cc1 ZINC000595755322 347350358 /nfs/dbraw/zinc/35/03/58/347350358.db2.gz KVVYRRURCFCXEN-CYBMUJFWSA-N 1 0 296.342 3.045 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](CCF)C2)ccc1[N+](=O)[O-] ZINC000595756628 347351923 /nfs/dbraw/zinc/35/19/23/347351923.db2.gz UTUJRUUIXACRQC-LBPRGKRZSA-N 1 0 296.342 3.175 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456452 347305993 /nfs/dbraw/zinc/30/59/93/347305993.db2.gz XVNVXTYVWWCWRZ-GWCFXTLKSA-N 1 0 266.316 3.402 20 5 CGBDRO CC(C)=CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000595476814 347309635 /nfs/dbraw/zinc/30/96/35/347309635.db2.gz QDQGVXXDQNIUPP-UHFFFAOYSA-N 1 0 262.353 3.425 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000595538237 347316760 /nfs/dbraw/zinc/31/67/60/347316760.db2.gz HYAQCTFBUVBEIG-ICCXJUOJSA-N 1 0 264.300 3.012 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596307349 347414158 /nfs/dbraw/zinc/41/41/58/347414158.db2.gz KZRQXFOXAKIXCW-CYBMUJFWSA-N 1 0 291.395 3.436 20 5 CGBDRO Cc1ccc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC000596309316 347414564 /nfs/dbraw/zinc/41/45/64/347414564.db2.gz YKKUTCFJPPDOIO-CYBMUJFWSA-N 1 0 291.395 3.436 20 5 CGBDRO COCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000596057861 347378335 /nfs/dbraw/zinc/37/83/35/347378335.db2.gz XDJWVMADCVYFBO-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093536 347382722 /nfs/dbraw/zinc/38/27/22/347382722.db2.gz VIAXOKONUVACSC-LLVKDONJSA-N 1 0 283.397 3.107 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056623 347712007 /nfs/dbraw/zinc/71/20/07/347712007.db2.gz KUCFKSDCJJHTDI-STQMWFEESA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000599056645 347712089 /nfs/dbraw/zinc/71/20/89/347712089.db2.gz LILNXCPOEOAIFV-KGLIPLIRSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccnc1C ZINC000599072807 347714284 /nfs/dbraw/zinc/71/42/84/347714284.db2.gz IXVLDSSMNITHBP-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC[C@@H]([NH2+][C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599093680 347716403 /nfs/dbraw/zinc/71/64/03/347716403.db2.gz VNKQWIQVINKNAT-BPLDGKMQSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000599675858 347764080 /nfs/dbraw/zinc/76/40/80/347764080.db2.gz UPXJZLZRLZRIST-ZFWWWQNUSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@H]1C[NH+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599513277 347749536 /nfs/dbraw/zinc/74/95/36/347749536.db2.gz RQRPSZXOCIOAIZ-QWRGUYRKSA-N 1 0 284.306 3.318 20 5 CGBDRO CC[C@H](C)[N@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000600167700 347788149 /nfs/dbraw/zinc/78/81/49/347788149.db2.gz AWRUFVIQCSZCKD-ZDUSSCGKSA-N 1 0 294.395 3.311 20 5 CGBDRO CCC[C@@H](CCO)[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000601139375 347874019 /nfs/dbraw/zinc/87/40/19/347874019.db2.gz CACMVNUMUIDWBT-VOMSXAGXSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601159218 347876289 /nfs/dbraw/zinc/87/62/89/347876289.db2.gz DQGVYMXEKLZQNK-UQRCUPDISA-N 1 0 286.253 3.148 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(c3ccccc3)C2)cc1 ZINC000602729562 348020470 /nfs/dbraw/zinc/02/04/70/348020470.db2.gz WCVAJXDCEATYLN-UHFFFAOYSA-N 1 0 268.316 3.194 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCO[C@@H]1C ZINC000602762248 348024373 /nfs/dbraw/zinc/02/43/73/348024373.db2.gz DECIOXOPRDASRL-HIFRSBDPSA-N 1 0 292.379 3.230 20 5 CGBDRO CCC[C@H](CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602544092 347978990 /nfs/dbraw/zinc/97/89/90/347978990.db2.gz JCGZXLMVNCYLHM-JTQLQIEISA-N 1 0 277.324 3.404 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848802 348098935 /nfs/dbraw/zinc/09/89/35/348098935.db2.gz OONRHMACOLQAJH-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO CSCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000609440055 348343977 /nfs/dbraw/zinc/34/39/77/348343977.db2.gz CVNONOAGSVHNRM-UHFFFAOYSA-N 1 0 292.360 3.307 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610390986 348380559 /nfs/dbraw/zinc/38/05/59/348380559.db2.gz GKEGYQOITGGSSL-KGLIPLIRSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000610133418 348363830 /nfs/dbraw/zinc/36/38/30/348363830.db2.gz OAFKJHUMZQHIOH-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C(C3CC3)C3CC3)nc2c1 ZINC000610580863 348391403 /nfs/dbraw/zinc/39/14/03/348391403.db2.gz YLMRHWMMXQDFGM-UHFFFAOYSA-N 1 0 287.319 3.014 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000610686877 348396984 /nfs/dbraw/zinc/39/69/84/348396984.db2.gz CBZBERMODBMSJY-NSHDSACASA-N 1 0 283.397 3.046 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000611268549 348433599 /nfs/dbraw/zinc/43/35/99/348433599.db2.gz MWLCVQFCPRRZDR-AWEZNQCLSA-N 1 0 260.337 3.278 20 5 CGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCOC(C)(C)C ZINC000611274710 348434508 /nfs/dbraw/zinc/43/45/08/348434508.db2.gz KOSQDZNBLOQYAL-VQHVLOKHSA-N 1 0 292.379 3.355 20 5 CGBDRO CCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCOCC1 ZINC000273397859 192138525 /nfs/dbraw/zinc/13/85/25/192138525.db2.gz LMOFIGJVXUASIM-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO CC1(C)C[C@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000611468936 348454178 /nfs/dbraw/zinc/45/41/78/348454178.db2.gz XNPPIKNXCIPZQA-UKRRQHHQSA-N 1 0 274.364 3.304 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219066 348659427 /nfs/dbraw/zinc/65/94/27/348659427.db2.gz KHIPXLCZHMQESL-MFKMUULPSA-N 1 0 289.335 3.356 20 5 CGBDRO C[C@@H]([NH2+]C1CC(C(F)F)C1)c1cccc([N+](=O)[O-])c1 ZINC000613615649 348623019 /nfs/dbraw/zinc/62/30/19/348623019.db2.gz UNDDVNSWEVHGAL-MFAVDMRSSA-N 1 0 270.279 3.289 20 5 CGBDRO COC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000618569216 349107871 /nfs/dbraw/zinc/10/78/71/349107871.db2.gz PYWRVAOTEJBLSJ-HZPDHXFCSA-N 1 0 292.379 3.233 20 5 CGBDRO CC1(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000618728640 349150466 /nfs/dbraw/zinc/15/04/66/349150466.db2.gz KPVHQEVPBOUENV-UHFFFAOYSA-N 1 0 268.744 3.180 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cc2ccccc2[nH]1 ZINC000618967788 349188201 /nfs/dbraw/zinc/18/82/01/349188201.db2.gz OLJZQPGCYFAUIL-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC[NH+](CC)CCSc1ncc(Cl)cc1[N+](=O)[O-] ZINC000153856854 188108193 /nfs/dbraw/zinc/10/81/93/188108193.db2.gz KGURHWFENOGWPU-UHFFFAOYSA-N 1 0 289.788 3.077 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000154421272 188141529 /nfs/dbraw/zinc/14/15/29/188141529.db2.gz UBDJBJWEVDJFQA-GFCCVEGCSA-N 1 0 286.331 3.460 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000158448727 188377173 /nfs/dbraw/zinc/37/71/73/188377173.db2.gz JZMDNQHSDJRHDO-GFCCVEGCSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000295190874 199397329 /nfs/dbraw/zinc/39/73/29/199397329.db2.gz XFUXKDAUJXERNC-VIIAAUOXSA-N 1 0 278.352 3.013 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCCSC1 ZINC000271851390 191368860 /nfs/dbraw/zinc/36/88/60/191368860.db2.gz TVIVFVPOQOLXKJ-YIALFULDSA-N 1 0 278.377 3.093 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414195861 235360931 /nfs/dbraw/zinc/36/09/31/235360931.db2.gz JLHGBHKPCWXZNJ-YPMHNXCESA-N 1 0 280.368 3.226 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000414311134 235385447 /nfs/dbraw/zinc/38/54/47/235385447.db2.gz IECLBSUNAWWURI-VXGBXAGGSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000221603912 138494983 /nfs/dbraw/zinc/49/49/83/138494983.db2.gz OKBUBTYRXGQCRG-GFCCVEGCSA-N 1 0 280.368 3.044 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000433067879 236768949 /nfs/dbraw/zinc/76/89/49/236768949.db2.gz PFEBHOXUHCRBMU-SEEARECTSA-N 1 0 290.363 3.142 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297414703 200182111 /nfs/dbraw/zinc/18/21/11/200182111.db2.gz UGDVQSGHWUHFBL-CJNGLKHVSA-N 1 0 294.395 3.434 20 5 CGBDRO C[C@H](CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-])[NH+](C)C ZINC000341745513 216087910 /nfs/dbraw/zinc/08/79/10/216087910.db2.gz QCLUWLDMYIXATK-SSDOTTSWSA-N 1 0 292.166 3.264 20 5 CGBDRO C[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000342081277 216212859 /nfs/dbraw/zinc/21/28/59/216212859.db2.gz WDXXWZMHJUVSKW-VUDGCMKMSA-N 1 0 283.331 3.354 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000301612786 201094745 /nfs/dbraw/zinc/09/47/45/201094745.db2.gz SQYFUMNJXXMQJF-CQSZACIVSA-N 1 0 291.395 3.293 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCSCC1 ZINC000449145768 239203577 /nfs/dbraw/zinc/20/35/77/239203577.db2.gz LXOMYJWXHSEDMH-GFCCVEGCSA-N 1 0 294.420 3.259 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449175511 239223826 /nfs/dbraw/zinc/22/38/26/239223826.db2.gz OHXXOYPAHHJZOW-SWLSCSKDSA-N 1 0 294.395 3.177 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCSC1 ZINC000449328159 239319423 /nfs/dbraw/zinc/31/94/23/239319423.db2.gz DYTNPHMCMQIRGZ-OLZOCXBDSA-N 1 0 294.420 3.259 20 5 CGBDRO CN(Cc1cc(Cl)cn1C)Cc1cccc([N+](=O)[O-])c1 ZINC000120048570 370734759 /nfs/dbraw/zinc/73/47/59/370734759.db2.gz ZTDXWVKLVBETAC-UHFFFAOYSA-N 1 0 293.754 3.219 20 5 CGBDRO Cc1ccc(C[NH2+]CCC2=CCCC2)cc1[N+](=O)[O-] ZINC000120170869 370744195 /nfs/dbraw/zinc/74/41/95/370744195.db2.gz MVZOVALOINAMKM-UHFFFAOYSA-N 1 0 260.337 3.493 20 5 CGBDRO COc1cc(C[N@@H+]2[C@H](C)CCC2(C)C)ccc1[N+](=O)[O-] ZINC000452006572 240393874 /nfs/dbraw/zinc/39/38/74/240393874.db2.gz LYPBIPMUHPMTDM-LLVKDONJSA-N 1 0 278.352 3.366 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000479116838 243094787 /nfs/dbraw/zinc/09/47/87/243094787.db2.gz SUQAPLIOQNAISI-SFHVURJKSA-N 1 0 296.370 3.454 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC2(C1)CCCC2 ZINC000485304457 243330464 /nfs/dbraw/zinc/33/04/64/243330464.db2.gz PEVLAEYONJHRBH-ALCCZGGFSA-N 1 0 272.348 3.484 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615487 203041004 /nfs/dbraw/zinc/04/10/04/203041004.db2.gz UETZZPKMWQNBCW-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1ccccc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020097012 368802408 /nfs/dbraw/zinc/80/24/08/368802408.db2.gz XVFMLEOCMMFQNT-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037153352 369069335 /nfs/dbraw/zinc/06/93/35/369069335.db2.gz BKZWTGDIFJTBPF-KBPBESRZSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[NH+]1CCCCC1 ZINC000049575306 369411327 /nfs/dbraw/zinc/41/13/27/369411327.db2.gz NEYUMXPZJFWCBD-UHFFFAOYSA-N 1 0 283.759 3.146 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)Cc1ccccc1 ZINC000068836556 369749391 /nfs/dbraw/zinc/74/93/91/369749391.db2.gz HDSVSLUHATWPLO-KRWDZBQOSA-N 1 0 299.374 3.180 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CCOCC1 ZINC000072743726 369836274 /nfs/dbraw/zinc/83/62/74/369836274.db2.gz FRCZFULZHJJKJG-OAHLLOKOSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@H](COC)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000079737448 369976681 /nfs/dbraw/zinc/97/66/81/369976681.db2.gz VAVHLZPHBJQOIZ-TZMCWYRMSA-N 1 0 266.341 3.061 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)(C)C ZINC000509939083 244932915 /nfs/dbraw/zinc/93/29/15/244932915.db2.gz AUAUNGIRFLELLG-OAHLLOKOSA-N 1 0 294.395 3.444 20 5 CGBDRO CCC[C@@]1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCOC1 ZINC000512885748 245055942 /nfs/dbraw/zinc/05/59/42/245055942.db2.gz TXGYZOUUAGMDSB-GMNBZTITSA-N 1 0 290.363 3.157 20 5 CGBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000117394685 370590203 /nfs/dbraw/zinc/59/02/03/370590203.db2.gz OPTHVWIRZIUYBK-OLZOCXBDSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000178062802 296163822 /nfs/dbraw/zinc/16/38/22/296163822.db2.gz OMQODYLKIWLXBY-BQDHKBFISA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000131080526 371081837 /nfs/dbraw/zinc/08/18/37/371081837.db2.gz KTOGHMBLYAVCAK-CABCVRRESA-N 1 0 280.368 3.187 20 5 CGBDRO COc1cc(C[N@H+](C)C[C@H]2CC=CCC2)ccc1[N+](=O)[O-] ZINC000344072119 217038144 /nfs/dbraw/zinc/03/81/44/217038144.db2.gz SEJIHWDZALCKJF-ZDUSSCGKSA-N 1 0 290.363 3.392 20 5 CGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289872870 371842111 /nfs/dbraw/zinc/84/21/11/371842111.db2.gz QWMYNFDKJXYLAP-HNNXBMFYSA-N 1 0 292.379 3.374 20 5 CGBDRO CCC[N@H+](CC)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156797651 371995240 /nfs/dbraw/zinc/99/52/40/371995240.db2.gz NXFDQYWVKMXKAA-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000290538027 372013148 /nfs/dbraw/zinc/01/31/48/372013148.db2.gz RCNJVXTYZSHYGE-HYVNUMGLSA-N 1 0 280.327 3.023 20 5 CGBDRO COCCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290987160 372088629 /nfs/dbraw/zinc/08/86/29/372088629.db2.gz ZGPXVFYNFQKQDG-UHFFFAOYSA-N 1 0 293.150 3.028 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000160501061 372252432 /nfs/dbraw/zinc/25/24/32/372252432.db2.gz NWCPMXHWTOHEGG-LBPRGKRZSA-N 1 0 298.770 3.295 20 5 CGBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344332729 217155460 /nfs/dbraw/zinc/15/54/60/217155460.db2.gz ZJEVMZCHPJTVAQ-RYUDHWBXSA-N 1 0 286.784 3.232 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](C)SC)c1cccc([N+](=O)[O-])c1 ZINC000163581309 372481174 /nfs/dbraw/zinc/48/11/74/372481174.db2.gz PNGAOMMTHVRIQD-ZWNOBZJWSA-N 1 0 268.382 3.387 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000164084436 372505759 /nfs/dbraw/zinc/50/57/59/372505759.db2.gz UVVLCVSNHDRJAT-PWSUYJOCSA-N 1 0 268.382 3.387 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432347534 372564145 /nfs/dbraw/zinc/56/41/45/372564145.db2.gz ONLWJZXAMGJPBW-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433788119 372630639 /nfs/dbraw/zinc/63/06/39/372630639.db2.gz BSCOBMWECVCWOH-OAHLLOKOSA-N 1 0 289.379 3.332 20 5 CGBDRO CC(F)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000294338303 372652199 /nfs/dbraw/zinc/65/21/99/372652199.db2.gz YIGDEPKVGLTSPA-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO CC1(C)CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CCS1 ZINC000434681062 372701755 /nfs/dbraw/zinc/70/17/55/372701755.db2.gz YXJYEQDIENBWDR-UHFFFAOYSA-N 1 0 298.383 3.451 20 5 CGBDRO CCC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000353416821 220071636 /nfs/dbraw/zinc/07/16/36/220071636.db2.gz QVUOLOWPZKWIFW-CLFYSBASSA-N 1 0 292.379 3.091 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cscn1 ZINC000171399308 372750738 /nfs/dbraw/zinc/75/07/38/372750738.db2.gz VOUIGYRSQURBGB-SNVBAGLBSA-N 1 0 277.349 3.244 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000171950685 372867371 /nfs/dbraw/zinc/86/73/71/372867371.db2.gz USOZBLWOBHMTTN-LLVKDONJSA-N 1 0 266.341 3.081 20 5 CGBDRO CC(C)[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000438349094 372935422 /nfs/dbraw/zinc/93/54/22/372935422.db2.gz VHZUDYRVRRPKBQ-AWEZNQCLSA-N 1 0 262.353 3.463 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000441441949 373013161 /nfs/dbraw/zinc/01/31/61/373013161.db2.gz CMHAKHSZYQYNCX-KGLIPLIRSA-N 1 0 290.363 3.238 20 5 CGBDRO CS[C@@H](C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344807402 217317861 /nfs/dbraw/zinc/31/78/61/217317861.db2.gz HFBXQMXJLKGTDO-RDQDRAATSA-N 1 0 280.393 3.339 20 5 CGBDRO COC(C)(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344816175 217320221 /nfs/dbraw/zinc/32/02/21/217320221.db2.gz CDRUAHPVYCZYET-XYOKQWHBSA-N 1 0 278.352 3.013 20 5 CGBDRO CC1(C)OCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296491781 373152575 /nfs/dbraw/zinc/15/25/75/373152575.db2.gz ORWNZVIIQMAQKJ-LSDHHAIUSA-N 1 0 290.363 3.129 20 5 CGBDRO CO[C@@H](C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344860384 217335857 /nfs/dbraw/zinc/33/58/57/217335857.db2.gz ISCMNAKYLMSXRT-SUIFULHWSA-N 1 0 278.352 3.013 20 5 CGBDRO COC[C@]1(C)CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567340 373180791 /nfs/dbraw/zinc/18/07/91/373180791.db2.gz CXNCCMIWCCBSDQ-SWLSCSKDSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)(C)C ZINC000444686041 373234386 /nfs/dbraw/zinc/23/43/86/373234386.db2.gz UOAMECNCKWRSKD-CYBMUJFWSA-N 1 0 290.367 3.385 20 5 CGBDRO Cc1cc(NCC[N@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000301067935 373645491 /nfs/dbraw/zinc/64/54/91/373645491.db2.gz CVAHROUQHGWHIT-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NCCC[NH2+]C1CCCCC1 ZINC000301087281 373654326 /nfs/dbraw/zinc/65/43/26/373654326.db2.gz LIWOLPKLVJGCSW-UHFFFAOYSA-N 1 0 295.358 3.458 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@H]1C1CC1 ZINC000449425925 373698670 /nfs/dbraw/zinc/69/86/70/373698670.db2.gz NOLFGNCPTLZWHT-KQIUPUNMSA-N 1 0 258.321 3.092 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000302470433 373875221 /nfs/dbraw/zinc/87/52/21/373875221.db2.gz CRIMGDZYTVCWJO-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000312812881 374292575 /nfs/dbraw/zinc/29/25/75/374292575.db2.gz IIHCUDKWJLGJLT-WHOFXGATSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC3CCC2CC3)cc1[N+](=O)[O-] ZINC000315240745 374327118 /nfs/dbraw/zinc/32/71/18/374327118.db2.gz QKQSEDBOYXTLPO-UXUKBGGZSA-N 1 0 290.363 3.272 20 5 CGBDRO CSCC[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182849708 374334515 /nfs/dbraw/zinc/33/45/15/374334515.db2.gz BYCOUERKRWVCKU-NSHDSACASA-N 1 0 268.382 3.259 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186315989 374831839 /nfs/dbraw/zinc/83/18/39/374831839.db2.gz CBSNXTAXIYAGNY-ZBFHGGJFSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H]1C[C@H](C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000492112324 375422410 /nfs/dbraw/zinc/42/24/10/375422410.db2.gz WOMPXIRYPMAVOC-QWHCGFSZSA-N 1 0 292.379 3.235 20 5 CGBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C)CC1 ZINC000194063214 375956159 /nfs/dbraw/zinc/95/61/59/375956159.db2.gz SVPYUJZSKZTLOV-JTQLQIEISA-N 1 0 293.323 3.123 20 5 CGBDRO C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2F)CC[C@@H]1C ZINC000336810631 375963199 /nfs/dbraw/zinc/96/31/99/375963199.db2.gz ISZMNBXRWORMCY-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000336830872 375990302 /nfs/dbraw/zinc/99/03/02/375990302.db2.gz HOPXVWPVGHRDPS-GJZGRUSLSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000222515977 376237495 /nfs/dbraw/zinc/23/74/95/376237495.db2.gz CYBZGEAWLQQQCH-IINYFYTJSA-N 1 0 274.324 3.120 20 5 CGBDRO COC(C)(C)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538709285 376257890 /nfs/dbraw/zinc/25/78/90/376257890.db2.gz BQFUFXVDEAFYCK-LBPRGKRZSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000539083165 376292038 /nfs/dbraw/zinc/29/20/38/376292038.db2.gz XBVROTLPAPSISN-STQMWFEESA-N 1 0 294.395 3.351 20 5 CGBDRO CSC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000227948546 376419656 /nfs/dbraw/zinc/41/96/56/376419656.db2.gz GZKOQWWAFRKUAM-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO C[C@H](c1cccnc1)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338370804 376355111 /nfs/dbraw/zinc/35/51/11/376355111.db2.gz BUXYQLZAZXUIME-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000226384140 376356234 /nfs/dbraw/zinc/35/62/34/376356234.db2.gz UTUDVFFNLWFBRA-VXGBXAGGSA-N 1 0 280.393 3.307 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000233848938 376603764 /nfs/dbraw/zinc/60/37/64/376603764.db2.gz IKOYNKNQSXVVPB-KGLIPLIRSA-N 1 0 280.393 3.359 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000233848288 376603831 /nfs/dbraw/zinc/60/38/31/376603831.db2.gz VSPVYSYIPJZHLB-OCCSQVGLSA-N 1 0 298.383 3.498 20 5 CGBDRO CC(C)C[C@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338942301 376589334 /nfs/dbraw/zinc/58/93/34/376589334.db2.gz KQKIQLCEQMDKFS-CYBMUJFWSA-N 1 0 278.352 3.311 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000544610956 376752397 /nfs/dbraw/zinc/75/23/97/376752397.db2.gz GPXBKTMWVNJUGM-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@H]1CF ZINC000556950068 376910470 /nfs/dbraw/zinc/91/04/70/376910470.db2.gz LRKKNGDXIBMVNN-JQVXPOPVSA-N 1 0 278.327 3.432 20 5 CGBDRO CCC[N@H+](CC)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000557495973 376939494 /nfs/dbraw/zinc/93/94/94/376939494.db2.gz FBLPXAWXIWOFFL-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cs1 ZINC000247336596 377195965 /nfs/dbraw/zinc/19/59/65/377195965.db2.gz FWDPOVFYRFGMJB-VXGBXAGGSA-N 1 0 266.366 3.421 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000563418090 377459687 /nfs/dbraw/zinc/45/96/87/377459687.db2.gz TUHXZMDGLWKRSF-GYSYKLTISA-N 1 0 278.327 3.452 20 5 CGBDRO CC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255061853 377728728 /nfs/dbraw/zinc/72/87/28/377728728.db2.gz HNNTWYCVSLFPLH-VSKVDJIOSA-N 1 0 292.404 3.435 20 5 CGBDRO CC1(C)CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255657118 377773982 /nfs/dbraw/zinc/77/39/82/377773982.db2.gz BUKWFFUDMQSNPB-YVMONPNESA-N 1 0 260.337 3.482 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCCCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000342828289 377824558 /nfs/dbraw/zinc/82/45/58/377824558.db2.gz XLVGZHPDJQUBFA-HNNXBMFYSA-N 1 0 292.379 3.030 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]2C2CCC2)c1 ZINC000343012754 377882569 /nfs/dbraw/zinc/88/25/69/377882569.db2.gz YBXPVVWSUSHDFJ-OAHLLOKOSA-N 1 0 260.337 3.359 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000343378463 377963584 /nfs/dbraw/zinc/96/35/84/377963584.db2.gz AFCXHYQCQKNODN-CQSZACIVSA-N 1 0 296.342 3.029 20 5 CGBDRO CC(C)CC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C(C)(C)C ZINC000343596908 378033364 /nfs/dbraw/zinc/03/33/64/378033364.db2.gz BDIZXZDPQSEGPI-ZDUSSCGKSA-N 1 0 296.415 3.269 20 5 CGBDRO CC1(C)C[N@H+](Cc2ccccc2[N+](=O)[O-])[C@@H]1C1CC1 ZINC000579655801 378180443 /nfs/dbraw/zinc/18/04/43/378180443.db2.gz IFNWRFJUYTYBNW-CQSZACIVSA-N 1 0 260.337 3.215 20 5 CGBDRO CCC(CC)(CC)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269640929 378247299 /nfs/dbraw/zinc/24/72/99/378247299.db2.gz JAPIKKFSPRAGLE-AWEZNQCLSA-N 1 0 280.368 3.187 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000271154788 378465154 /nfs/dbraw/zinc/46/51/54/378465154.db2.gz RABHLPYLFNTWAF-VXGBXAGGSA-N 1 0 296.367 3.069 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000348170203 378820852 /nfs/dbraw/zinc/82/08/52/378820852.db2.gz RPNKSXHXHXFZQN-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000347345436 218198192 /nfs/dbraw/zinc/19/81/92/218198192.db2.gz LOQWCMARMWPURC-MRXNPFEDSA-N 1 0 285.347 3.273 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCSCC1 ZINC000349058919 379147524 /nfs/dbraw/zinc/14/75/24/379147524.db2.gz AFMBMQMVQJNYPD-UTCJRWHESA-N 1 0 278.377 3.047 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC2(C1)CCOCC2 ZINC000266534593 190264915 /nfs/dbraw/zinc/26/49/15/190264915.db2.gz GZPMPZJJFOIFET-CYBMUJFWSA-N 1 0 290.363 3.158 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000280543674 379728968 /nfs/dbraw/zinc/72/89/68/379728968.db2.gz STXMIWRAULKXGO-ZFWWWQNUSA-N 1 0 292.379 3.029 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC=C(c3ccco3)C2)cc1 ZINC000352549637 379854399 /nfs/dbraw/zinc/85/43/99/379854399.db2.gz FACORCJQKHXCEM-UHFFFAOYSA-N 1 0 284.315 3.477 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000282473516 379926974 /nfs/dbraw/zinc/92/69/74/379926974.db2.gz WNGIQXBOSLVRJB-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCC12CCC2 ZINC000282283237 379888693 /nfs/dbraw/zinc/88/86/93/379888693.db2.gz RTYOGAUKUFSFEG-CQSZACIVSA-N 1 0 260.337 3.060 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000414498970 380273836 /nfs/dbraw/zinc/27/38/36/380273836.db2.gz NUULINKWSQRUHL-LIKCUEIDSA-N 1 0 292.404 3.482 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c(F)c1 ZINC000355114289 380580654 /nfs/dbraw/zinc/58/06/54/380580654.db2.gz UKKXXAXDYUZHLU-YGRLFVJLSA-N 1 0 264.300 3.108 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000418099883 380700880 /nfs/dbraw/zinc/70/08/80/380700880.db2.gz NVYIIGKIVCTVFD-CQSZACIVSA-N 1 0 280.368 3.054 20 5 CGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000355769014 380772429 /nfs/dbraw/zinc/77/24/29/380772429.db2.gz QIQKUPQQAASBKH-ZDSVCRJJSA-N 1 0 290.363 3.013 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CC23CCSCC3)c1 ZINC000421346295 380888085 /nfs/dbraw/zinc/88/80/85/380888085.db2.gz CKWMBMJJYFZMTB-CYBMUJFWSA-N 1 0 292.404 3.218 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421354194 380892269 /nfs/dbraw/zinc/89/22/69/380892269.db2.gz QZYQHVYQERLZSI-ZDUSSCGKSA-N 1 0 292.404 3.218 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000356856619 380903876 /nfs/dbraw/zinc/90/38/76/380903876.db2.gz WHRJOXRUXHULST-RDBSUJKOSA-N 1 0 292.379 3.369 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000360620301 381596756 /nfs/dbraw/zinc/59/67/56/381596756.db2.gz OFVLSROWGUXTBU-LLVKDONJSA-N 1 0 296.342 3.365 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263780 381669001 /nfs/dbraw/zinc/66/90/01/381669001.db2.gz XZBTXNWPTZEEFO-GHMZBOCLSA-N 1 0 288.351 3.234 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC[C@H](C)C1 ZINC000361643048 381854502 /nfs/dbraw/zinc/85/45/02/381854502.db2.gz LKIZXUPZADZUAE-AAEUAGOBSA-N 1 0 298.408 3.293 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000362439879 381991118 /nfs/dbraw/zinc/99/11/18/381991118.db2.gz PWTJKYMNGLDLLJ-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000361577632 285016686 /nfs/dbraw/zinc/01/66/86/285016686.db2.gz NFTQRVHSFZKKGV-CHWSQXEVSA-N 1 0 280.368 3.321 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000411942840 533018624 /nfs/dbraw/zinc/01/86/24/533018624.db2.gz IIYKWJZSQPYFDP-BONVTDFDSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000441435694 285110583 /nfs/dbraw/zinc/11/05/83/285110583.db2.gz FILQDNJPZQTCEC-HOCLYGCPSA-N 1 0 274.364 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc3OC2)cc1 ZINC000509444971 285115708 /nfs/dbraw/zinc/11/57/08/285115708.db2.gz XZEQYCPKIDLXRP-HNNXBMFYSA-N 1 0 298.342 3.078 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccco1 ZINC000350285692 219005089 /nfs/dbraw/zinc/00/50/89/219005089.db2.gz HEPWWSBQIPTGNO-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350312279 219007394 /nfs/dbraw/zinc/00/73/94/219007394.db2.gz ODJHBSCXKMFVJO-SNVBAGLBSA-N 1 0 284.331 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[C@H]1F)CCC2 ZINC000340523014 285145802 /nfs/dbraw/zinc/14/58/02/285145802.db2.gz MARVAWODRBQGTO-KFWWJZLASA-N 1 0 278.327 3.452 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCSC1)CCC2 ZINC000278730854 285145660 /nfs/dbraw/zinc/14/56/60/285145660.db2.gz MTGOCKLZSYWITK-SMDDNHRTSA-N 1 0 278.377 3.067 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360044 195210585 /nfs/dbraw/zinc/21/05/85/195210585.db2.gz LDLZFZKBUKKZPA-QWHCGFSZSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@@H]([NH2+]CCCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000358036230 533390571 /nfs/dbraw/zinc/39/05/71/533390571.db2.gz KTUKMKOFZHOVNO-LLVKDONJSA-N 1 0 291.376 3.335 20 5 CGBDRO Cc1c(C[N@@H+]2CCS[C@@H](C)CC2)cccc1[N+](=O)[O-] ZINC000192173234 130386408 /nfs/dbraw/zinc/38/64/08/130386408.db2.gz FJAJRDYKCGOCRL-NSHDSACASA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000051574742 392070048 /nfs/dbraw/zinc/07/00/48/392070048.db2.gz YQLFRROTNDJENV-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000054470156 392093446 /nfs/dbraw/zinc/09/34/46/392093446.db2.gz CHLULELHAJZPDC-VIFPVBQESA-N 1 0 256.733 3.384 20 5 CGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000105447668 392288864 /nfs/dbraw/zinc/28/88/64/392288864.db2.gz YOUDOEQTHYFXOF-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000361944763 392372173 /nfs/dbraw/zinc/37/21/73/392372173.db2.gz IXTOCMMRTCZFEM-OASPWFOLSA-N 1 0 266.366 3.139 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000504899432 392640548 /nfs/dbraw/zinc/64/05/48/392640548.db2.gz GORRLXADJKGZRS-GMXVVIOVSA-N 1 0 278.352 3.300 20 5 CGBDRO CCOC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182685123 392748050 /nfs/dbraw/zinc/74/80/50/392748050.db2.gz BMEVWDVFMKLUQI-CYBMUJFWSA-N 1 0 292.379 3.465 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505867146 392702378 /nfs/dbraw/zinc/70/23/78/392702378.db2.gz DSFAUVHNQRSIMM-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@H](Nc1c(F)cc([N+](=O)[O-])cc1F)c1ncc[nH]1 ZINC000221225251 393008231 /nfs/dbraw/zinc/00/82/31/393008231.db2.gz NRSJPSIVJFVZEC-JTQLQIEISA-N 1 0 282.250 3.159 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910185 393067487 /nfs/dbraw/zinc/06/74/87/393067487.db2.gz DMEQMUUCCULYCT-GXTWGEPZSA-N 1 0 262.353 3.258 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCCO[C@H](C)C1 ZINC000470174739 393229518 /nfs/dbraw/zinc/22/95/18/393229518.db2.gz NAQYANWMNPWERK-RNQWEJQRSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154594 393378497 /nfs/dbraw/zinc/37/84/97/393378497.db2.gz DDVWHZUCPNUNCR-AGIUHOORSA-N 1 0 262.353 3.461 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000356345568 393423929 /nfs/dbraw/zinc/42/39/29/393423929.db2.gz XOXGZDXJAMUOAR-LSDHHAIUSA-N 1 0 280.368 3.451 20 5 CGBDRO CC(C)[C@H]1CN(c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000487054008 393448376 /nfs/dbraw/zinc/44/83/76/393448376.db2.gz CTXRRTDTRBIMRZ-CQSZACIVSA-N 1 0 297.786 3.025 20 5 CGBDRO C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC000357718557 393514954 /nfs/dbraw/zinc/51/49/54/393514954.db2.gz WOKAQQDXSPJMAZ-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421197211 393595005 /nfs/dbraw/zinc/59/50/05/393595005.db2.gz GRWYMXKCQRNALY-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000490100412 393632013 /nfs/dbraw/zinc/63/20/13/393632013.db2.gz HZQMJECGDJRVSO-ZDUSSCGKSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491185802 393670976 /nfs/dbraw/zinc/67/09/76/393670976.db2.gz IOQQLGRJYBAFNC-FZMZJTMJSA-N 1 0 260.337 3.388 20 5 CGBDRO CC(C)CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540215 393864986 /nfs/dbraw/zinc/86/49/86/393864986.db2.gz ISMDAXHNEAQBFR-KGLIPLIRSA-N 1 0 294.399 3.301 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447552609 393864992 /nfs/dbraw/zinc/86/49/92/393864992.db2.gz UHDHEHSPFDANDZ-HCKVZZMMSA-N 1 0 260.337 3.218 20 5 CGBDRO CC[C@H](C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501125352 393847787 /nfs/dbraw/zinc/84/77/87/393847787.db2.gz IPTBIUVNXRCFSB-NSHDSACASA-N 1 0 297.786 3.169 20 5 CGBDRO CCC1C[NH+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000453610744 394257373 /nfs/dbraw/zinc/25/73/73/394257373.db2.gz YMTVCEOHIMUYAJ-KPKJPENVSA-N 1 0 260.337 3.340 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)O ZINC000453335097 394224278 /nfs/dbraw/zinc/22/42/78/394224278.db2.gz XQVCGLKTTPXFLA-NZVBXONLSA-N 1 0 292.379 3.066 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000453622928 394260608 /nfs/dbraw/zinc/26/06/08/394260608.db2.gz AZLYSXWUQITFQO-OCCSQVGLSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000037999311 286889069 /nfs/dbraw/zinc/88/90/69/286889069.db2.gz RHLOKBOIYZIZNR-ZDUSSCGKSA-N 1 0 291.395 3.437 20 5 CGBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])cc1F ZINC000065944872 286968888 /nfs/dbraw/zinc/96/88/88/286968888.db2.gz WQDBSQFXTRAAST-UHFFFAOYSA-N 1 0 283.347 3.268 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCCC1 ZINC000070306644 286988111 /nfs/dbraw/zinc/98/81/11/286988111.db2.gz OPCQLPXNQWXEHF-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000075769411 165107178 /nfs/dbraw/zinc/10/71/78/165107178.db2.gz WSJGAGQLKZHGKW-KGLIPLIRSA-N 1 0 290.363 3.368 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090800872 287104807 /nfs/dbraw/zinc/10/48/07/287104807.db2.gz AQUJBYXWEUDPKA-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000090535755 165239066 /nfs/dbraw/zinc/23/90/66/165239066.db2.gz MZYRVKYZXZHABW-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000092067074 287110607 /nfs/dbraw/zinc/11/06/07/287110607.db2.gz UXYBPNONSXBESX-GQCTYLIASA-N 1 0 260.337 3.340 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000094869137 287123269 /nfs/dbraw/zinc/12/32/69/287123269.db2.gz POADLNAVNPVWNE-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+](CC2CC2)CC2CC2)cc1 ZINC000115564424 287154560 /nfs/dbraw/zinc/15/45/60/287154560.db2.gz SJVUVRJQAVRGRP-UHFFFAOYSA-N 1 0 274.364 3.259 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000119131790 287165453 /nfs/dbraw/zinc/16/54/53/287165453.db2.gz RFAMYVWKRWNJFJ-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H](CCc1ccco1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020145122 171030217 /nfs/dbraw/zinc/03/02/17/171030217.db2.gz MKDLVHHKNFYENQ-GFCCVEGCSA-N 1 0 274.320 3.299 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000020565973 171254274 /nfs/dbraw/zinc/25/42/74/171254274.db2.gz SZZXZSSAYBNKDP-AAEUAGOBSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285070781 196190146 /nfs/dbraw/zinc/19/01/46/196190146.db2.gz JGKLYLGOOVMUQF-UWVGGRQHSA-N 1 0 299.321 3.263 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000037177045 173010460 /nfs/dbraw/zinc/01/04/60/173010460.db2.gz FJEHKZXOCBWMSK-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044572641 175210270 /nfs/dbraw/zinc/21/02/70/175210270.db2.gz XWHXLIRTEZWWLV-JTQLQIEISA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1cc(NCCCCCO)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228725735 416522730 /nfs/dbraw/zinc/52/27/30/416522730.db2.gz QGLFSYMENCOIQE-UHFFFAOYSA-N 1 0 289.335 3.026 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cs1 ZINC000177514367 224635277 /nfs/dbraw/zinc/63/52/77/224635277.db2.gz BHHNBDKLMLWOFG-TXEJJXNPSA-N 1 0 266.366 3.278 20 5 CGBDRO CC(C)OCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130910676 287366186 /nfs/dbraw/zinc/36/61/86/287366186.db2.gz TYOAXCSVSSDZNJ-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000158064645 260875195 /nfs/dbraw/zinc/87/51/95/260875195.db2.gz QCBMWSXVFWWSCU-RISCZKNCSA-N 1 0 280.368 3.043 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000085385673 270043493 /nfs/dbraw/zinc/04/34/93/270043493.db2.gz YBMLZOVWEAXPFF-TUKIKUTGSA-N 1 0 292.379 3.449 20 5 CGBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000187440512 270068787 /nfs/dbraw/zinc/06/87/87/270068787.db2.gz LZSSPACQIPJMRZ-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000531984411 270212397 /nfs/dbraw/zinc/21/23/97/270212397.db2.gz LGYLYQZJRNOTQF-WFASDCNBSA-N 1 0 280.368 3.225 20 5 CGBDRO CSC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000193815913 274174789 /nfs/dbraw/zinc/17/47/89/274174789.db2.gz KNLBFVGZDFECBJ-CQSZACIVSA-N 1 0 292.404 3.457 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000341126231 274295973 /nfs/dbraw/zinc/29/59/73/274295973.db2.gz NOPQITGCDWBBPV-BETUJISGSA-N 1 0 277.368 3.270 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000353810348 274313172 /nfs/dbraw/zinc/31/31/72/274313172.db2.gz CYPZEGDCPXETMJ-ONERCXAPSA-N 1 0 260.337 3.360 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000249019466 287796889 /nfs/dbraw/zinc/79/68/89/287796889.db2.gz JXPJQDGTZYITIS-NWANDNLSSA-N 1 0 292.379 3.073 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000034996424 275039169 /nfs/dbraw/zinc/03/91/69/275039169.db2.gz DXQGNUZQIUETPG-HNNXBMFYSA-N 1 0 284.315 3.208 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000251247212 287832792 /nfs/dbraw/zinc/83/27/92/287832792.db2.gz MLHKTBHXTHEWNZ-RRFJBIMHSA-N 1 0 278.352 3.203 20 5 CGBDRO CC1(C)OCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296491750 275881292 /nfs/dbraw/zinc/88/12/92/275881292.db2.gz ORWNZVIIQMAQKJ-CABCVRRESA-N 1 0 290.363 3.129 20 5 CGBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156570715 276187829 /nfs/dbraw/zinc/18/78/29/276187829.db2.gz RIZXHGOZSJXLHS-KBPBESRZSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000362977163 276562095 /nfs/dbraw/zinc/56/20/95/276562095.db2.gz PDIPPHKMQNHWBH-NHYWBVRUSA-N 1 0 280.368 3.054 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453169497 277690948 /nfs/dbraw/zinc/69/09/48/277690948.db2.gz UGAXMBZKKAFGQN-TUKIKUTGSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000397777022 288030105 /nfs/dbraw/zinc/03/01/05/288030105.db2.gz TXRRCGYQRHUTBZ-QVHKTLOISA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447600703 278611929 /nfs/dbraw/zinc/61/19/29/278611929.db2.gz NBPZDWBMMLTCKW-XJFOESAGSA-N 1 0 292.383 3.053 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000249319772 288091052 /nfs/dbraw/zinc/09/10/52/288091052.db2.gz QHOPXOUCYGIIMD-UGFHNGPFSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]([NH2+]CC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135796301 279464508 /nfs/dbraw/zinc/46/45/08/279464508.db2.gz AMTDIHCEADSZHN-NSHDSACASA-N 1 0 280.393 3.389 20 5 CGBDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245523 280095033 /nfs/dbraw/zinc/09/50/33/280095033.db2.gz KKQHREKSZVCEFB-CABZTGNLSA-N 1 0 288.269 3.368 20 5 CGBDRO C[C@H](C[N@H+](C)CCc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000554845509 289313451 /nfs/dbraw/zinc/31/34/51/289313451.db2.gz ANPRBSREGUZAII-SNVBAGLBSA-N 1 0 290.285 3.268 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)CC(C)C ZINC000558404662 289492115 /nfs/dbraw/zinc/49/21/15/289492115.db2.gz HPTZWNINLSATRR-GFCCVEGCSA-N 1 0 280.368 3.375 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000301177119 304807663 /nfs/dbraw/zinc/80/76/63/304807663.db2.gz GIWQMYFQUBKHMO-AWEZNQCLSA-N 1 0 289.379 3.050 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCC(C)(C)CO ZINC000163222284 321892182 /nfs/dbraw/zinc/89/21/82/321892182.db2.gz ZNKBXOKDPGCHGN-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO COC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000165915635 321906172 /nfs/dbraw/zinc/90/61/72/321906172.db2.gz BMSABKBAWZCGAT-JSGCOSHPSA-N 1 0 280.368 3.225 20 5 CGBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@H]1C1CC1 ZINC000565807432 322092102 /nfs/dbraw/zinc/09/21/02/322092102.db2.gz SPYDIXAEDVZZAN-AWEZNQCLSA-N 1 0 260.337 3.215 20 5 CGBDRO CCC[C@@H](CC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566108524 322104527 /nfs/dbraw/zinc/10/45/27/322104527.db2.gz FVQHJKLVRCRGTM-GFCCVEGCSA-N 1 0 293.367 3.092 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CO1 ZINC000566219955 322110231 /nfs/dbraw/zinc/11/02/31/322110231.db2.gz IEYVNAHIDMJLED-UEKVPHQBSA-N 1 0 290.363 3.084 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@H](F)C2)cs1 ZINC000567384406 322161445 /nfs/dbraw/zinc/16/14/45/322161445.db2.gz FWVVOGPAVWDNMP-VHSXEESVSA-N 1 0 258.318 3.027 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000571375382 322297107 /nfs/dbraw/zinc/29/71/07/322297107.db2.gz MCNFJXPFJLDXHF-JSGCOSHPSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCCCO1 ZINC000573741433 322404742 /nfs/dbraw/zinc/40/47/42/322404742.db2.gz IPAKSCOSUYNBEF-SWLSCSKDSA-N 1 0 290.363 3.131 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC(C)(F)C1 ZINC000575992517 322500145 /nfs/dbraw/zinc/50/01/45/322500145.db2.gz WHYOKIASLXYIHA-CDWSIMAYSA-N 1 0 266.316 3.444 20 5 CGBDRO CS[C@H](C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090725245 534060829 /nfs/dbraw/zinc/06/08/29/534060829.db2.gz QCUWPXBODIRQMI-BXUZGUMPSA-N 1 0 294.420 3.257 20 5 CGBDRO C[C@H]1CSC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449168263 534066974 /nfs/dbraw/zinc/06/69/74/534066974.db2.gz CYICFJDEEKNNQN-WFASDCNBSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC1(C)C ZINC000449148009 534254210 /nfs/dbraw/zinc/25/42/10/534254210.db2.gz SDVMVPLTVGOFAK-WCQYABFASA-N 1 0 262.353 3.162 20 5 CGBDRO CC[NH+](CC)CCSc1ccc(C(C)=O)cc1[N+](=O)[O-] ZINC000088734226 520708959 /nfs/dbraw/zinc/70/89/59/520708959.db2.gz FXPYKPOWFJOIIY-UHFFFAOYSA-N 1 0 296.392 3.231 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CCOCC1 ZINC000156051970 523229319 /nfs/dbraw/zinc/22/93/19/523229319.db2.gz MUWWSFUMGGKHRT-UHFFFAOYSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000424174998 534886859 /nfs/dbraw/zinc/88/68/59/534886859.db2.gz PSTCSTIJHDCFMU-KBPBESRZSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCC(F)(F)F)cs1 ZINC000097988754 527328909 /nfs/dbraw/zinc/32/89/09/527328909.db2.gz KCTSWMMFAMJFDW-UHFFFAOYSA-N 1 0 268.260 3.088 20 5 CGBDRO CCC[C@H](N[C@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423262012 528240667 /nfs/dbraw/zinc/24/06/67/528240667.db2.gz LJUHZCXHGKPUSB-HOCLYGCPSA-N 1 0 293.411 3.399 20 5 CGBDRO CCCC[C@H](C[NH3+])N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303759 528955547 /nfs/dbraw/zinc/95/55/47/528955547.db2.gz XKSASIWJMYJNKY-CZUORRHYSA-N 1 0 291.395 3.079 20 5 CGBDRO CCCC[C@H](C[NH3+])N[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293778 528957890 /nfs/dbraw/zinc/95/78/90/528957890.db2.gz ASKGTGOWHBILOB-UKRRQHHQSA-N 1 0 279.384 3.153 20 5 CGBDRO CCOC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449280695 528993865 /nfs/dbraw/zinc/99/38/65/528993865.db2.gz YGMRKQSNQIWOST-ZFWWWQNUSA-N 1 0 294.395 3.177 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178120401 529177682 /nfs/dbraw/zinc/17/76/82/529177682.db2.gz TUOWSNZAENYOHM-HUUCEWRRSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555566 529249651 /nfs/dbraw/zinc/24/96/51/529249651.db2.gz VCLLFHPCXUISLP-YPMHNXCESA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000449351128 529318200 /nfs/dbraw/zinc/31/82/00/529318200.db2.gz YEDYSBVQHAEGGV-XEZPLFJOSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H](CN[C@@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000173315541 529369006 /nfs/dbraw/zinc/36/90/06/529369006.db2.gz XURDPHQZOLBEFL-DZGCQCFKSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000740870615 572462999 /nfs/dbraw/zinc/46/29/99/572462999.db2.gz GPNOPRPHYPHMLZ-NWDGAFQWSA-N 1 0 295.358 3.043 20 5 CGBDRO CCCCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000744406516 572750023 /nfs/dbraw/zinc/75/00/23/572750023.db2.gz FDMCYZWOWAFGGG-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+](CCCCCCO)C1CC1 ZINC000749529022 573017005 /nfs/dbraw/zinc/01/70/05/573017005.db2.gz VCZUZACRBOJWAG-UHFFFAOYSA-N 1 0 292.379 3.112 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCC1 ZINC000840970743 619296817 /nfs/dbraw/zinc/29/68/17/619296817.db2.gz WUKWHKLQWXVJOY-JTQLQIEISA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1c(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-] ZINC000261981959 619510425 /nfs/dbraw/zinc/51/04/25/619510425.db2.gz ALRLJUJERMLONJ-JKSUJKDBSA-N 1 0 297.358 3.138 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)CC1 ZINC000880243164 619622693 /nfs/dbraw/zinc/62/26/93/619622693.db2.gz DASSBTFGEKUEJJ-JTQLQIEISA-N 1 0 252.289 3.090 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895569100 619853827 /nfs/dbraw/zinc/85/38/27/619853827.db2.gz SOLHWYXOFRFLLV-LBPRGKRZSA-N 1 0 266.316 3.003 20 5 CGBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000895944690 619913897 /nfs/dbraw/zinc/91/38/97/619913897.db2.gz GNOAYYJWJKUBGP-BBUPELFUSA-N 1 0 290.363 3.107 20 5 CGBDRO CC[C@@](C)(C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897464381 620340094 /nfs/dbraw/zinc/34/00/94/620340094.db2.gz LZONSRPRJMUACE-WFASDCNBSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)CC1CC1)c1ccccc1[N+](=O)[O-] ZINC000897465774 620340437 /nfs/dbraw/zinc/34/04/37/620340437.db2.gz HXHFDIDJIBQSDP-RYUDHWBXSA-N 1 0 262.353 3.477 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000897463939 620340543 /nfs/dbraw/zinc/34/05/43/620340543.db2.gz CXSIDLAMKJDOFX-RYUDHWBXSA-N 1 0 280.393 3.184 20 5 CGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925308116 620395457 /nfs/dbraw/zinc/39/54/57/620395457.db2.gz BGJVAZCUPDZLME-ZFWWWQNUSA-N 1 0 280.368 3.014 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000898305636 620509163 /nfs/dbraw/zinc/50/91/63/620509163.db2.gz LXMCJXJYVBTINI-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000901663816 620971954 /nfs/dbraw/zinc/97/19/54/620971954.db2.gz OWGMQXLPLPOASC-QFNJPPCTSA-N 1 0 290.363 3.203 20 5 CGBDRO CO[C@H]1CCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000903120818 621588269 /nfs/dbraw/zinc/58/82/69/621588269.db2.gz OXKCBFKXFGQTMH-CVEARBPZSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000903318917 621673653 /nfs/dbraw/zinc/67/36/53/621673653.db2.gz SLTQIXFPXNZKGW-YIKOMLBNSA-N 1 0 292.354 3.443 20 5 CGBDRO CC(C)[NH2+]Cc1cc(-c2ccc([N+](=O)[O-])nc2)ccc1F ZINC000904798361 621995129 /nfs/dbraw/zinc/99/51/29/621995129.db2.gz FKXAEAWUFOATHF-UHFFFAOYSA-N 1 0 289.310 3.294 20 5 CGBDRO C[C@@H](CC[NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905144637 622042451 /nfs/dbraw/zinc/04/24/51/622042451.db2.gz GIEBUWUOFMBOQA-JTQLQIEISA-N 1 0 290.285 3.065 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC23CCCCC3)c1 ZINC000924855210 622742794 /nfs/dbraw/zinc/74/27/94/622742794.db2.gz WHCUJCBKEICFLD-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000227830275 623032255 /nfs/dbraw/zinc/03/22/55/623032255.db2.gz ATQQCHAKFYDGHE-CHWSQXEVSA-N 1 0 298.770 3.151 20 5 CGBDRO CCCC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CC1 ZINC000914783707 623859954 /nfs/dbraw/zinc/85/99/54/623859954.db2.gz BOXSSJXHQITTNY-UHFFFAOYSA-N 1 0 288.351 3.167 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000920086082 624446499 /nfs/dbraw/zinc/44/64/99/624446499.db2.gz MCQOYPNJHGMKFD-UHFFFAOYSA-N 1 0 283.397 3.331 20 5 CGBDRO CC[C@@H]1C[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922538870 626011429 /nfs/dbraw/zinc/01/14/29/626011429.db2.gz YEDYSBVQHAEGGV-XJKCOSOUSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC([NH2+]C3CCCC3)CC2)cc1 ZINC000751225727 626382185 /nfs/dbraw/zinc/38/21/85/626382185.db2.gz MBZNYYFJJHWGMH-UHFFFAOYSA-N 1 0 289.379 3.096 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000839636615 626767469 /nfs/dbraw/zinc/76/74/69/626767469.db2.gz AVRNMKOWEGQJCG-MEBBXXQBSA-N 1 0 296.342 3.027 20 5 CGBDRO CCC[NH+](CCC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761281472 627030714 /nfs/dbraw/zinc/03/07/14/627030714.db2.gz UAEGUANXEVGBPQ-UHFFFAOYSA-N 1 0 290.367 3.332 20 5 CGBDRO CCCC[N@H+](C)CCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761519845 627047264 /nfs/dbraw/zinc/04/72/64/627047264.db2.gz JGXNKCABYOPVFL-UHFFFAOYSA-N 1 0 299.802 3.070 20 5 CGBDRO CCCC[N@H+](CC)Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764876947 627231369 /nfs/dbraw/zinc/23/13/69/627231369.db2.gz CSUUFCCWZSXEMD-UHFFFAOYSA-N 1 0 290.367 3.332 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCC(C)(O)CC2)cc1[N+](=O)[O-] ZINC000766478086 627335388 /nfs/dbraw/zinc/33/53/88/627335388.db2.gz FCIUJJIPAGTSAT-XEBKBJJBSA-N 1 0 292.379 3.247 20 5 CGBDRO CC1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589405 628222315 /nfs/dbraw/zinc/22/23/15/628222315.db2.gz SJYUYVBLHWRMRP-HNNXBMFYSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCOC2CCC2)cccc1[N+](=O)[O-] ZINC000777119482 628249928 /nfs/dbraw/zinc/24/99/28/628249928.db2.gz BDNHAIXICDGHTA-LBPRGKRZSA-N 1 0 278.352 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)cc1Cl ZINC000783571371 628727192 /nfs/dbraw/zinc/72/71/92/628727192.db2.gz BDWQFIIPUNMAQH-GFCCVEGCSA-N 1 0 280.755 3.480 20 5 CGBDRO CC(C)([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000786168903 628917140 /nfs/dbraw/zinc/91/71/40/628917140.db2.gz XBMYLRIEINHDLR-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788562749 629064763 /nfs/dbraw/zinc/06/47/63/629064763.db2.gz HZGJKRHARNLGRQ-DCAQKATOSA-N 1 0 265.357 3.262 20 5 CGBDRO CC(C)(C)c1ccc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC000791052852 629253198 /nfs/dbraw/zinc/25/31/98/629253198.db2.gz GDGFJQBUHVTDIM-HNNXBMFYSA-N 1 0 276.380 3.398 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865482 629387989 /nfs/dbraw/zinc/38/79/89/629387989.db2.gz BYTPHBPJYDMACV-WDEREUQCSA-N 1 0 293.323 3.123 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCC1 ZINC000792872749 629389902 /nfs/dbraw/zinc/38/99/02/629389902.db2.gz OWLSCTQHDVLHGT-UHFFFAOYSA-N 1 0 293.323 3.266 20 5 CGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(C)(C)C1 ZINC000796529919 629795845 /nfs/dbraw/zinc/79/58/45/629795845.db2.gz CSPSIZSQNPCFOG-LSDHHAIUSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)SCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809722231 630791535 /nfs/dbraw/zinc/79/15/35/630791535.db2.gz PVUHTJDFDFNXDA-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552512 631793892 /nfs/dbraw/zinc/79/38/92/631793892.db2.gz DBASFBKIBXWBDJ-UHIISALHSA-N 1 0 277.368 3.406 20 5 CGBDRO CC(C)(C)CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819017046 632365316 /nfs/dbraw/zinc/36/53/16/632365316.db2.gz FHXBJYFKZWBLDR-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO CCC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819161319 632391537 /nfs/dbraw/zinc/39/15/37/632391537.db2.gz UQIGKRAYHSFNFP-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000819226551 632405601 /nfs/dbraw/zinc/40/56/01/632405601.db2.gz UAACGZVVOGMRNZ-TWJWRFFLSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819255378 632413115 /nfs/dbraw/zinc/41/31/15/632413115.db2.gz ZQSTUXQEZZEKKS-INWMFGNUSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819353277 632437795 /nfs/dbraw/zinc/43/77/95/632437795.db2.gz AOGFJJFRYQXDTR-JKSUJKDBSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000865873670 632932880 /nfs/dbraw/zinc/93/28/80/632932880.db2.gz GEUPGYGRCMSOTB-MKGJVGOLSA-N 1 0 292.379 3.137 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000866213889 633030337 /nfs/dbraw/zinc/03/03/37/633030337.db2.gz BSJFMXPBLPXMFO-SNVBAGLBSA-N 1 0 278.283 3.048 20 5 CGBDRO CS[C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309351 633076019 /nfs/dbraw/zinc/07/60/19/633076019.db2.gz OINOOFCOTYYULO-NXEZZACHSA-N 1 0 286.372 3.006 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000866381065 633112986 /nfs/dbraw/zinc/11/29/86/633112986.db2.gz GQWSACXKLHGXCD-REJLFOLJSA-N 1 0 292.354 3.443 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000866636248 633224288 /nfs/dbraw/zinc/22/42/88/633224288.db2.gz XWFYHPZUCPSTLJ-RAIGVLPGSA-N 1 0 280.368 3.103 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872028243 633947445 /nfs/dbraw/zinc/94/74/45/633947445.db2.gz IINBFSBTUBOZBD-NSHDSACASA-N 1 0 284.331 3.201 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051078 633974399 /nfs/dbraw/zinc/97/43/99/633974399.db2.gz FSVLOIPEDFWHEL-WDEREUQCSA-N 1 0 298.358 3.182 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064835 633987292 /nfs/dbraw/zinc/98/72/92/633987292.db2.gz MSUZDSCHLGNYDT-WDEREUQCSA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080656 634004563 /nfs/dbraw/zinc/00/45/63/634004563.db2.gz BPKUOIWOZZOVBX-CHWFTXMASA-N 1 0 264.300 3.183 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872090369 634015631 /nfs/dbraw/zinc/01/56/31/634015631.db2.gz BSXJNRIZFMYNTE-OPRDCNLKSA-N 1 0 284.356 3.279 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000872129791 634051634 /nfs/dbraw/zinc/05/16/34/634051634.db2.gz UGAXMBZKKAFGQN-UGFHNGPFSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CCSCC1 ZINC000873050064 634237182 /nfs/dbraw/zinc/23/71/82/634237182.db2.gz QBGAMTUEMWKHSR-UHFFFAOYSA-N 1 0 294.420 3.444 20 5 CGBDRO Cc1c(C[NH2+]CC(C)(C)[C@@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000873094906 634244664 /nfs/dbraw/zinc/24/46/64/634244664.db2.gz IKGISWZENANJFG-HNNXBMFYSA-N 1 0 294.395 3.036 20 5 CGBDRO Cc1c(C[NH2+]C[C@H](C)c2nccs2)cccc1[N+](=O)[O-] ZINC000873105380 634246951 /nfs/dbraw/zinc/24/69/51/634246951.db2.gz UYNHFTALPDYALA-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CCCC1 ZINC000877480501 635054016 /nfs/dbraw/zinc/05/40/16/635054016.db2.gz XKTVIEWGEHXARY-UHFFFAOYSA-N 1 0 288.351 3.141 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000877827897 635230100 /nfs/dbraw/zinc/23/01/00/635230100.db2.gz ZGVZIGMPGMGVLO-HBNTYKKESA-N 1 0 266.366 3.139 20 5 CGBDRO COc1cc(-c2ccc(C[NH+](C)C)cc2)cc([N+](=O)[O-])c1 ZINC000846779418 636239215 /nfs/dbraw/zinc/23/92/15/636239215.db2.gz MCNSMHCMDRAZMC-UHFFFAOYSA-N 1 0 286.331 3.332 20 5 CGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133246745 636887691 /nfs/dbraw/zinc/88/76/91/636887691.db2.gz QPUQRWTZZKZEKM-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)SC ZINC000850439482 637063976 /nfs/dbraw/zinc/06/39/76/637063976.db2.gz OXLQJTCEDXLCTC-SNVBAGLBSA-N 1 0 298.408 3.396 20 5 CGBDRO CC[C@H](C)CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850505834 637093707 /nfs/dbraw/zinc/09/37/07/637093707.db2.gz ZHXRJPCKYBMWOI-QWRGUYRKSA-N 1 0 265.357 3.264 20 5 CGBDRO CC(C)C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCC1 ZINC000885971002 637337727 /nfs/dbraw/zinc/33/77/27/637337727.db2.gz MYJVWYWXXLLQQF-UHFFFAOYSA-N 1 0 277.368 3.390 20 5 CGBDRO Cc1n[nH]c(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1C ZINC000886011313 637360629 /nfs/dbraw/zinc/36/06/29/637360629.db2.gz YGRUAWSHCARHPR-GFCCVEGCSA-N 1 0 288.351 3.094 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])s1 ZINC000886127547 637427096 /nfs/dbraw/zinc/42/70/96/637427096.db2.gz MOKNAQFMJBGNEQ-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130123 637428525 /nfs/dbraw/zinc/42/85/25/637428525.db2.gz WPHKTUOHGBKRIR-GXTWGEPZSA-N 1 0 277.368 3.438 20 5 CGBDRO CC(C)C[C@@]1(C)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222922 637464593 /nfs/dbraw/zinc/46/45/93/637464593.db2.gz DATSWRLAPZBDKQ-OAHLLOKOSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886315476 637497507 /nfs/dbraw/zinc/49/75/07/637497507.db2.gz NRNKCAYCWRARLN-FFSVYQOJSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCc3cccnc32)cc1[N+](=O)[O-] ZINC000886646900 637627192 /nfs/dbraw/zinc/62/71/92/637627192.db2.gz WZOXXHZOLDUCDJ-AWEZNQCLSA-N 1 0 283.331 3.075 20 5 CGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000853697873 637895023 /nfs/dbraw/zinc/89/50/23/637895023.db2.gz WSMALMYTYAWTPT-NSHDSACASA-N 1 0 299.321 3.063 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH+]3CCCCCCC3)nc2c1 ZINC000007049417 638247158 /nfs/dbraw/zinc/24/71/58/638247158.db2.gz AIFTUZBXOZXUAH-UHFFFAOYSA-N 1 0 288.351 3.237 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC[C@H]1CCCO ZINC000925312184 638495490 /nfs/dbraw/zinc/49/54/90/638495490.db2.gz YENRFNUHIVOOBM-ZFWWWQNUSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ncco1 ZINC000925467217 638506101 /nfs/dbraw/zinc/50/61/01/638506101.db2.gz QWFHMMSQKBHCRL-LBPRGKRZSA-N 1 0 289.335 3.256 20 5 CGBDRO Cc1c(CN[C@H](c2ccccc2)[C@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000925659541 638559287 /nfs/dbraw/zinc/55/92/87/638559287.db2.gz WCYYGKCWNUHNLY-GUYCJALGSA-N 1 0 299.374 3.081 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000927023211 638832984 /nfs/dbraw/zinc/83/29/84/638832984.db2.gz COHITJPYRVQUQC-CHWSQXEVSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927031190 638833842 /nfs/dbraw/zinc/83/38/42/638833842.db2.gz ZGCPLLHLDGEJDQ-LSDHHAIUSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927166225 638849480 /nfs/dbraw/zinc/84/94/80/638849480.db2.gz XAMAQVFNWFZSHY-DOMZBBRYSA-N 1 0 290.363 3.347 20 5 CGBDRO C[N@H+](CCCc1cccnc1)Cc1ccccc1[N+](=O)[O-] ZINC000929164445 638904249 /nfs/dbraw/zinc/90/42/49/638904249.db2.gz IVULZAYAVKSAPN-UHFFFAOYSA-N 1 0 285.347 3.054 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858780115 639021921 /nfs/dbraw/zinc/02/19/21/639021921.db2.gz IXYZGFUDUWARFS-LBPRGKRZSA-N 1 0 293.342 3.163 20 5 CGBDRO CSCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000932591531 639364345 /nfs/dbraw/zinc/36/43/45/639364345.db2.gz CDVJTFFGDYWZKG-UHFFFAOYSA-N 1 0 294.420 3.212 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000934668850 639653887 /nfs/dbraw/zinc/65/38/87/639653887.db2.gz GLLQQNRERDHSIR-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000934686517 639656678 /nfs/dbraw/zinc/65/66/78/639656678.db2.gz LJOWLLXZRUBAHF-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000158648033 640013167 /nfs/dbraw/zinc/01/31/67/640013167.db2.gz IYCXFOOVEIEITQ-MPTQWLOMSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1nc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)ccc1[N+](=O)[O-] ZINC001155341108 805573998 /nfs/dbraw/zinc/57/39/98/805573998.db2.gz UVBYISHBISDZJY-SNVBAGLBSA-N 1 0 296.330 3.262 20 5 CGBDRO Cc1cc([N+](=O)[O-])cnc1-n1ccc2cc([C@@H](C)[NH3+])ccc21 ZINC001155340706 805574218 /nfs/dbraw/zinc/57/42/18/805574218.db2.gz RSDXFBNLMLVKAB-LLVKDONJSA-N 1 0 296.330 3.262 20 5 CGBDRO CCCC[NH+](CCCC)CCNc1cc([N+](=O)[O-])ccn1 ZINC001156904559 805748650 /nfs/dbraw/zinc/74/86/50/805748650.db2.gz BGKLOEPLAOOQEN-UHFFFAOYSA-N 1 0 294.399 3.304 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC001159471523 806108686 /nfs/dbraw/zinc/10/86/86/806108686.db2.gz ZLDQHSSKKDYRHR-UHFFFAOYSA-N 1 0 273.267 3.081 20 5 CGBDRO O=[N+]([O-])c1cc(F)cc(Nc2cccc3c2C[NH2+]C3)c1 ZINC001159766236 806168221 /nfs/dbraw/zinc/16/82/21/806168221.db2.gz BNSIXJMZPQLMCK-UHFFFAOYSA-N 1 0 273.267 3.081 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[C@H]([NH3+])C2 ZINC001159833430 806183722 /nfs/dbraw/zinc/18/37/22/806183722.db2.gz XQOICFNCQPIBDW-CYBMUJFWSA-N 1 0 283.331 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]COc1ccccc1 ZINC001254542954 806446434 /nfs/dbraw/zinc/44/64/34/806446434.db2.gz QNHPFMXLUSUHAJ-ZDUSSCGKSA-N 1 0 286.331 3.152 20 5 CGBDRO CCCCC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540471 806446779 /nfs/dbraw/zinc/44/67/79/806446779.db2.gz UBWBFSFYKZANRF-STQMWFEESA-N 1 0 292.379 3.263 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccncc1 ZINC001254548263 806447997 /nfs/dbraw/zinc/44/79/97/806447997.db2.gz MJFTXFLEBLVFHD-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](F)CC1 ZINC001254551448 806448340 /nfs/dbraw/zinc/44/83/40/806448340.db2.gz BENZMLRVKYYNAN-GXTWGEPZSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(CF)C1 ZINC001254552759 806449453 /nfs/dbraw/zinc/44/94/53/806449453.db2.gz PADAQFIEMKMYOP-DOMZBBRYSA-N 1 0 280.343 3.207 20 5 CGBDRO CC1([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCCCC1 ZINC001254565738 806451139 /nfs/dbraw/zinc/45/11/39/806451139.db2.gz GLGYKGCZMSCKNB-AWEZNQCLSA-N 1 0 274.364 3.374 20 5 CGBDRO CSC1CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561010 806451196 /nfs/dbraw/zinc/45/11/96/806451196.db2.gz CVERWRCACFKQRL-LBPRGKRZSA-N 1 0 294.420 3.353 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(CF)CC1 ZINC001254562592 806451846 /nfs/dbraw/zinc/45/18/46/806451846.db2.gz NTXGKCFTPFRODY-GFCCVEGCSA-N 1 0 280.343 3.207 20 5 CGBDRO CC[C@@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568421 806453164 /nfs/dbraw/zinc/45/31/64/806453164.db2.gz FQVSMQAYHBFTEP-CHWSQXEVSA-N 1 0 262.353 3.258 20 5 CGBDRO C=Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254576516 806454497 /nfs/dbraw/zinc/45/44/97/806454497.db2.gz WRNDIAWAXFGUFK-KRWDZBQOSA-N 1 0 294.354 3.495 20 5 CGBDRO C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593254 806457209 /nfs/dbraw/zinc/45/72/09/806457209.db2.gz KOQWQRWTNHREJP-MLGOLLRUSA-N 1 0 274.364 3.184 20 5 CGBDRO C[C@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596732 806456878 /nfs/dbraw/zinc/45/68/78/806456878.db2.gz FUJIEQPLWTWQDF-IINYFYTJSA-N 1 0 296.317 3.039 20 5 CGBDRO Cc1ncccc1C[N@@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565783 806450751 /nfs/dbraw/zinc/45/07/51/806450751.db2.gz PXNXBXQMCHMRCH-ZDUSSCGKSA-N 1 0 299.374 3.361 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC(F)(F)CC1)C2 ZINC001254600932 806458932 /nfs/dbraw/zinc/45/89/32/806458932.db2.gz WXBXEZQGTVPYIH-AWEZNQCLSA-N 1 0 296.317 3.183 20 5 CGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc3cccnc3c3ncccc23)C1 ZINC001162402476 806577486 /nfs/dbraw/zinc/57/74/86/806577486.db2.gz SGDCWTCRZXBWMM-ZIAGYGMSSA-N 1 0 292.386 3.465 20 5 CGBDRO Cc1cc(Cl)c(N[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162406374 806579514 /nfs/dbraw/zinc/57/95/14/806579514.db2.gz HAWSIQILQDAHFA-UWVGGRQHSA-N 1 0 283.759 3.238 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@@H]1CCC[NH2+]C[C@@H]1C ZINC001162472630 806593998 /nfs/dbraw/zinc/59/39/98/806593998.db2.gz YJQNIMGBVZHIOV-JQWIXIFHSA-N 1 0 295.358 3.090 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1C[NH2+]Cc2ccsc21 ZINC001163226562 806728187 /nfs/dbraw/zinc/72/81/87/806728187.db2.gz JEVPLHIKVSINOP-NSHDSACASA-N 1 0 289.360 3.221 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1F ZINC000688255531 799744416 /nfs/dbraw/zinc/74/44/16/799744416.db2.gz NYWXFYWAAXZHDN-AWEZNQCLSA-N 1 0 278.327 3.498 20 5 CGBDRO CC[C@@H]([NH2+]CC1SCCS1)c1cccc([N+](=O)[O-])c1 ZINC000692807464 799801183 /nfs/dbraw/zinc/80/11/83/799801183.db2.gz SVUAPKFEPWNHLR-GFCCVEGCSA-N 1 0 298.433 3.442 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000706450453 799961632 /nfs/dbraw/zinc/96/16/32/799961632.db2.gz JKGJCEUYATWLOK-VIFPVBQESA-N 1 0 290.697 3.383 20 5 CGBDRO CSC1CC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000708255700 799984013 /nfs/dbraw/zinc/98/40/13/799984013.db2.gz CESJQVJCRCZUKE-WHXUTIOJSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+]2C(C)(C)C)c(F)cc1[N+](=O)[O-] ZINC001163711359 806805542 /nfs/dbraw/zinc/80/55/42/806805542.db2.gz LSZVTFUOICLKCK-LLVKDONJSA-N 1 0 295.358 3.327 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000716890256 800183560 /nfs/dbraw/zinc/18/35/60/800183560.db2.gz IFBOSFITJXPEMF-MBNYWOFBSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1c(C[NH2+]C2(C)CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000720936059 800272864 /nfs/dbraw/zinc/27/28/64/800272864.db2.gz PWHMQTOJUZZCHJ-UHFFFAOYSA-N 1 0 270.279 3.181 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1ncnc2cc3ccccc3cc21 ZINC001163778229 806824111 /nfs/dbraw/zinc/82/41/11/806824111.db2.gz DYZQKQTZTACQFP-LBPRGKRZSA-N 1 0 280.375 3.145 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903130128 800594117 /nfs/dbraw/zinc/59/41/17/800594117.db2.gz BDAUIWAMLRQDSM-ZYHUDNBSSA-N 1 0 298.408 3.396 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903130125 800594203 /nfs/dbraw/zinc/59/42/03/800594203.db2.gz BDAUIWAMLRQDSM-CMPLNLGQSA-N 1 0 298.408 3.396 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC(F)F ZINC001119606536 802683570 /nfs/dbraw/zinc/68/35/70/802683570.db2.gz PUHWEXNPIOXZFJ-SECBINFHSA-N 1 0 288.294 3.299 20 5 CGBDRO CC1(Nc2ncnc3cc4ccccc4cc32)CC[NH2+]CC1 ZINC001168187165 807338611 /nfs/dbraw/zinc/33/86/11/807338611.db2.gz LTPZFBPLEYEBTR-UHFFFAOYSA-N 1 0 292.386 3.337 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168978796 807545872 /nfs/dbraw/zinc/54/58/72/807545872.db2.gz UIBRFEHUQMEBES-FOCJUVANSA-N 1 0 274.364 3.270 20 5 CGBDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978815 807546082 /nfs/dbraw/zinc/54/60/82/807546082.db2.gz UMUQRMHDMRTDTK-BFHYXJOUSA-N 1 0 256.390 3.236 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2Cl)C1 ZINC001168978584 807546144 /nfs/dbraw/zinc/54/61/44/807546144.db2.gz SPLLKOVGIOODDG-ONGXEEELSA-N 1 0 286.734 3.014 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987277 807547147 /nfs/dbraw/zinc/54/71/47/807547147.db2.gz HXBNOFDGBLDZSH-MBNYWOFBSA-N 1 0 280.343 3.230 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC001168988001 807548352 /nfs/dbraw/zinc/54/83/52/807548352.db2.gz MKSUMTJHKWRFQS-ZFWWWQNUSA-N 1 0 274.364 3.101 20 5 CGBDRO CC[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009037 807551091 /nfs/dbraw/zinc/55/10/91/807551091.db2.gz UMPJDMGKDGGBNX-JSGCOSHPSA-N 1 0 254.374 3.086 20 5 CGBDRO C[C@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011949 807553261 /nfs/dbraw/zinc/55/32/61/807553261.db2.gz NWCILOGBMVJJHI-KCQAQPDRSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035852 807555291 /nfs/dbraw/zinc/55/52/91/807555291.db2.gz DIXKBVLSHHDXGY-GOEBONIOSA-N 1 0 274.364 3.096 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001169040946 807557036 /nfs/dbraw/zinc/55/70/36/807557036.db2.gz AFMGWADEWFDUBZ-CVEARBPZSA-N 1 0 276.380 3.181 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170298756 807820404 /nfs/dbraw/zinc/82/04/04/807820404.db2.gz NTGUIVNUJRLLAR-CYZMBNFOSA-N 1 0 296.342 3.015 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@H+](C)C2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170327606 807826382 /nfs/dbraw/zinc/82/63/82/807826382.db2.gz GTJIEOJKODFXNX-MBHSVXNSSA-N 1 0 292.379 3.265 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ncnc3cc4ccccc4cc32)C1 ZINC001170620792 807867366 /nfs/dbraw/zinc/86/73/66/807867366.db2.gz JABWIBCXKVFXIZ-LSDHHAIUSA-N 1 0 292.386 3.465 20 5 CGBDRO CCC[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908250 808475850 /nfs/dbraw/zinc/47/58/50/808475850.db2.gz LJZGZKRJAYLXKK-AWEZNQCLSA-N 1 0 262.353 3.184 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175256 808533259 /nfs/dbraw/zinc/53/32/59/808533259.db2.gz MIYOCAMOSGZBAO-SNVBAGLBSA-N 1 0 298.358 3.452 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C(C)C)c1F ZINC001173186034 808533569 /nfs/dbraw/zinc/53/35/69/808533569.db2.gz RBZMTRCOBWDQSN-JTQLQIEISA-N 1 0 284.331 3.014 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC(F)(F)C1 ZINC001173210466 808537524 /nfs/dbraw/zinc/53/75/24/808537524.db2.gz LEJTULKJJYAUOL-JQWIXIFHSA-N 1 0 284.306 3.303 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(CF)C1 ZINC001173222996 808540394 /nfs/dbraw/zinc/54/03/94/808540394.db2.gz WAZLONFUWYNBKE-IUODEOHRSA-N 1 0 280.343 3.207 20 5 CGBDRO Cc1cc(N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC001187445571 810400105 /nfs/dbraw/zinc/40/01/05/810400105.db2.gz MONJUBJHPFDBGB-OAHLLOKOSA-N 1 0 291.395 3.070 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001203659009 812418558 /nfs/dbraw/zinc/41/85/58/812418558.db2.gz XJZQCXCCTXGMNZ-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC001203952932 812501037 /nfs/dbraw/zinc/50/10/37/812501037.db2.gz CZGRDVIDZYXGAZ-AWEZNQCLSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCCCCc1ccccc1 ZINC001209833790 814156801 /nfs/dbraw/zinc/15/68/01/814156801.db2.gz XVOZOYSHMFXXDF-OAHLLOKOSA-N 1 0 250.406 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc3[nH+]ccn3c2)c1 ZINC001216481102 815835300 /nfs/dbraw/zinc/83/53/00/815835300.db2.gz GLPAXDBOSFXPOF-UHFFFAOYSA-N 1 0 272.239 3.125 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001217957885 816018074 /nfs/dbraw/zinc/01/80/74/816018074.db2.gz VHRUBNBFWXIHAW-KDYLLFBJSA-N 1 0 298.342 3.391 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[NH2+]C[C@@H]1C ZINC001217983419 816032563 /nfs/dbraw/zinc/03/25/63/816032563.db2.gz CBIHDDUDPKWURV-JQWIXIFHSA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001217983376 816032779 /nfs/dbraw/zinc/03/27/79/816032779.db2.gz BKCCZAPTEGXBRP-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@H]2CCC[NH2+]CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001217999581 816043558 /nfs/dbraw/zinc/04/35/58/816043558.db2.gz JUTWRAJMCOCSNG-ZDUSSCGKSA-N 1 0 278.352 3.041 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090621 816092329 /nfs/dbraw/zinc/09/23/29/816092329.db2.gz CJDSLLCKRFEVGH-GXTWGEPZSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CC[NH2+][C@@H]3C2)c2ccccc21 ZINC001218246319 816139385 /nfs/dbraw/zinc/13/93/85/816139385.db2.gz MCZJKOZYBLQMQI-LALPHHSUSA-N 1 0 298.342 3.267 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC2(C)C)c([N+](=O)[O-])cc1Cl ZINC001218316408 816164504 /nfs/dbraw/zinc/16/45/04/816164504.db2.gz REPUPKNIMCRJJV-CYBMUJFWSA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@@H]1CC[C@H](Oc2ccnc3c2ccc2cccnc23)C[NH2+]1 ZINC001218405889 816198865 /nfs/dbraw/zinc/19/88/65/816198865.db2.gz HMENUEIQSCIIPH-OCCSQVGLSA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc(C)c(O[C@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001218486175 816240247 /nfs/dbraw/zinc/24/02/47/816240247.db2.gz HRWTZWDEKQOOLB-INIZCTEOSA-N 1 0 298.342 3.435 20 5 CGBDRO Cc1ccc(COC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001223226215 816591815 /nfs/dbraw/zinc/59/18/15/816591815.db2.gz VPCXUAIKGYSFDK-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1c(COC2CC[NH+](C3CC3)CC2)cccc1[N+](=O)[O-] ZINC001223330791 816606833 /nfs/dbraw/zinc/60/68/33/816606833.db2.gz BNJRWCUEHJTTPJ-UHFFFAOYSA-N 1 0 290.363 3.047 20 5 CGBDRO C[N+](C)(C)CCCO[C@H](c1ccccc1)c1ccccn1 ZINC001224622709 816835170 /nfs/dbraw/zinc/83/51/70/816835170.db2.gz IZFJZESKXWOADK-GOSISDBHSA-N 1 0 285.411 3.284 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC001224624384 816836005 /nfs/dbraw/zinc/83/60/05/816836005.db2.gz VWCSHMRMZDLHHC-BZUAXINKSA-N 1 0 254.438 3.458 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1cc(-c2ccccc2)no1 ZINC001224774641 816877811 /nfs/dbraw/zinc/87/78/11/816877811.db2.gz VTLNQNSNPUITHC-ZDUSSCGKSA-N 1 0 275.372 3.125 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(Br)c1 ZINC001224775550 816879648 /nfs/dbraw/zinc/87/96/48/816879648.db2.gz MLPRFFOSCILBGR-NSHDSACASA-N 1 0 287.221 3.233 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCC1CC(OCc2ccccc2)C1 ZINC001225057920 816941920 /nfs/dbraw/zinc/94/19/20/816941920.db2.gz YKQRVUSSVGLASG-ZLPCBKJTSA-N 1 0 292.443 3.093 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cccc1Br ZINC001225622105 817116458 /nfs/dbraw/zinc/11/64/58/817116458.db2.gz FGCZPVRZCOZWQB-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO Cc1cc2c(ccc(O[C@H](C)C[N+](C)(C)C)c2F)[nH]1 ZINC001225638156 817122191 /nfs/dbraw/zinc/12/21/91/817122191.db2.gz BLESSYIAGBWODA-LLVKDONJSA-N 1 0 265.352 3.089 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)ccc1Br ZINC001225683824 817140510 /nfs/dbraw/zinc/14/05/10/817140510.db2.gz FVVOIULDWLZTGA-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO Cc1cc(Br)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225756728 817169578 /nfs/dbraw/zinc/16/95/78/817169578.db2.gz MKPAWRVTUISUDC-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2F)CC1 ZINC001225796799 817181393 /nfs/dbraw/zinc/18/13/93/817181393.db2.gz MIJBDFTZZGVKCD-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(C(=O)c2ccccc2)c1 ZINC001225998939 817244460 /nfs/dbraw/zinc/24/44/60/817244460.db2.gz LRWIDIYSHYFUNB-OAHLLOKOSA-N 1 0 298.406 3.391 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1C[NH+]2CCC1CC2 ZINC001227214823 817594610 /nfs/dbraw/zinc/59/46/10/817594610.db2.gz RITBWGUEFZZBRR-MRXNPFEDSA-N 1 0 298.342 3.221 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001227214295 817594845 /nfs/dbraw/zinc/59/48/45/817594845.db2.gz JCZJKZHOJYBSKP-NSHDSACASA-N 1 0 274.320 3.077 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1c(C)cc(C)cc1[N+](=O)[O-] ZINC001228229695 817845098 /nfs/dbraw/zinc/84/50/98/817845098.db2.gz KRFFRWNWUNKZFX-ZDUSSCGKSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001228570375 817940302 /nfs/dbraw/zinc/94/03/02/817940302.db2.gz CFVUOFOBPXXNFD-CTYIDZIISA-N 1 0 292.379 3.463 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228758879 818001151 /nfs/dbraw/zinc/00/11/51/818001151.db2.gz NXOLJJFRLWXIOZ-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)cc1Cl ZINC001228759037 818002180 /nfs/dbraw/zinc/00/21/80/818002180.db2.gz RHKSZBLIOARYQC-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1 ZINC001228838078 818017046 /nfs/dbraw/zinc/01/70/46/818017046.db2.gz LKVJKYJKPGVWHS-CQSZACIVSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ncc(Cl)cc21 ZINC001233638608 818664875 /nfs/dbraw/zinc/66/48/75/818664875.db2.gz FSLZAWUZOGMOHA-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ncc(Cl)cc21 ZINC001233638609 818665260 /nfs/dbraw/zinc/66/52/60/818665260.db2.gz FSLZAWUZOGMOHA-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[NH+]1CCC(Oc2ccnc3c2ccc2cccnc23)CC1 ZINC001234090185 818776023 /nfs/dbraw/zinc/77/60/23/818776023.db2.gz NHMAYPLKLPCVHT-UHFFFAOYSA-N 1 0 293.370 3.256 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cncc(-c2ccccc2)c1 ZINC001234269367 818821225 /nfs/dbraw/zinc/82/12/25/818821225.db2.gz CSLUUZICPXCKAR-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO CCOc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001234318356 818836303 /nfs/dbraw/zinc/83/63/03/818836303.db2.gz YGZHFLNNHIKSHI-NSHDSACASA-N 1 0 272.796 3.212 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236285056 819412908 /nfs/dbraw/zinc/41/29/08/819412908.db2.gz CLIWUUIPTYGUJL-UZLBHIALSA-N 1 0 288.394 3.397 20 5 CGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089354 935267769 /nfs/dbraw/zinc/26/77/69/935267769.db2.gz LPKAKFQHZCHPJG-CHWSQXEVSA-N 1 0 298.383 3.450 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1CCOCC1 ZINC001340540367 936407988 /nfs/dbraw/zinc/40/79/88/936407988.db2.gz LKDBLQDYFJTZRA-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C/C=C\C1CC1 ZINC001346506324 936851290 /nfs/dbraw/zinc/85/12/90/936851290.db2.gz QVUZGKWRUXLXDK-PYLYLYNFSA-N 1 0 258.321 3.138 20 5 CGBDRO CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCCC[N+](C)(C)C)C2 ZINC001224621780 932037893 /nfs/dbraw/zinc/03/78/93/932037893.db2.gz CZKBOGGXLJVNJU-FMKPAKJESA-N 1 0 254.438 3.314 20 5 CGBDRO Cc1nc2ccc(O[C@@H](C)C[N+](C)(C)C)cc2s1 ZINC001229318642 932132784 /nfs/dbraw/zinc/13/27/84/932132784.db2.gz WUERMECARRNJNQ-JTQLQIEISA-N 1 0 265.402 3.078 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C)c([N+](=O)[O-])c(C)c1 ZINC001229466215 932156229 /nfs/dbraw/zinc/15/62/29/932156229.db2.gz KKXUDHDLUAUTJP-CYBMUJFWSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229469940 932157073 /nfs/dbraw/zinc/15/70/73/932157073.db2.gz LSYKASQUDSVGRP-CQSZACIVSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CCC([NH+](C)C)CC1 ZINC001229880653 932497883 /nfs/dbraw/zinc/49/78/83/932497883.db2.gz HTQKXJQKCHQEQA-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(C)cc1[N+](=O)[O-] ZINC001230143822 932535929 /nfs/dbraw/zinc/53/59/29/932535929.db2.gz PJGRMJIKYKQGAL-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1-c1ccccn1 ZINC001230321371 932559451 /nfs/dbraw/zinc/55/94/51/932559451.db2.gz KTPSZHFXILPEGO-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC001230768740 932621937 /nfs/dbraw/zinc/62/19/37/932621937.db2.gz QABYIVJFLOGSKV-SSDOTTSWSA-N 1 0 293.150 3.231 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc3[nH+]ccn3c2)c(F)c1 ZINC001307171729 932774440 /nfs/dbraw/zinc/77/44/40/932774440.db2.gz WQTLJBJLBGPXAS-UHFFFAOYSA-N 1 0 272.239 3.125 20 5 CGBDRO CCCN(CC[NH+](CC)CC)c1ccc([N+](=O)[O-])cc1F ZINC001307091267 932912343 /nfs/dbraw/zinc/91/23/43/932912343.db2.gz UGFGQUNJZFDSQS-UHFFFAOYSA-N 1 0 297.374 3.292 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCSC(C)C ZINC001308398897 933106269 /nfs/dbraw/zinc/10/62/69/933106269.db2.gz FDAOOTPYXOZTBR-UHFFFAOYSA-N 1 0 282.409 3.443 20 5 CGBDRO C[C@@H]([NH2+]Cc1cnc2ccccn12)c1ccccc1[N+](=O)[O-] ZINC001308509142 933123250 /nfs/dbraw/zinc/12/32/50/933123250.db2.gz CWQXBFLBHLLVTP-GFCCVEGCSA-N 1 0 296.330 3.093 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308629177 933147252 /nfs/dbraw/zinc/14/72/52/933147252.db2.gz MCFDDDYJIHOOKK-SECBINFHSA-N 1 0 288.269 3.455 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C\C1CC1)C1CC1 ZINC001324240405 934475342 /nfs/dbraw/zinc/47/53/42/934475342.db2.gz WFGOQXPOCUMDEC-MJSXRHKHSA-N 1 0 286.375 3.472 20 5 CGBDRO CCCC1(CCC)CCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC001473768720 937820921 /nfs/dbraw/zinc/82/09/21/937820921.db2.gz DVUJIMNMSRMSCA-UHFFFAOYSA-N 1 0 294.399 3.226 20 5 CGBDRO CN(CC[NH+]1CCCC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC001559096240 938220177 /nfs/dbraw/zinc/22/01/77/938220177.db2.gz DVQDGILXYAFGJX-UHFFFAOYSA-N 1 0 299.321 3.064 20 5 CGBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001559654188 938232036 /nfs/dbraw/zinc/23/20/36/938232036.db2.gz DCELOYQIVJZLCR-UONOGXRCSA-N 1 0 292.379 3.342 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CCC1 ZINC001560430189 938258405 /nfs/dbraw/zinc/25/84/05/938258405.db2.gz CJZJJAZITZDMMT-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc2ccccc2o1 ZINC001560458405 938259152 /nfs/dbraw/zinc/25/91/52/938259152.db2.gz ODEWKUKOCODRAE-UHFFFAOYSA-N 1 0 297.314 3.068 20 5 CGBDRO Cc1cc(N2CCC[C@@H]([NH2+]C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000589685703 346807698 /nfs/dbraw/zinc/80/76/98/346807698.db2.gz FTHOXDRTGFQWMP-GFCCVEGCSA-N 1 0 295.358 3.009 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000590079677 346825873 /nfs/dbraw/zinc/82/58/73/346825873.db2.gz FHYCUABRKUTFGS-NSHDSACASA-N 1 0 297.786 3.215 20 5 CGBDRO CC[C@@H]1C[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000449351126 529426337 /nfs/dbraw/zinc/42/63/37/529426337.db2.gz YEDYSBVQHAEGGV-HEHGZKQESA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H](O)C(C)C ZINC000414289747 529652339 /nfs/dbraw/zinc/65/23/39/529652339.db2.gz ICIKDLVBLNVTTB-TUKIKUTGSA-N 1 0 280.368 3.041 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000426567529 529820747 /nfs/dbraw/zinc/82/07/47/529820747.db2.gz WJBQWLZUIFLFGN-QPBFKRLHSA-N 1 0 260.337 3.338 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC23CCCC3)c(F)c1 ZINC000593040698 347030729 /nfs/dbraw/zinc/03/07/29/347030729.db2.gz ZPTPTEWZOXAFSK-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000042123140 344978531 /nfs/dbraw/zinc/97/85/31/344978531.db2.gz QLRCUCMOWHFJNZ-UHFFFAOYSA-N 1 0 250.342 3.461 20 5 CGBDRO CC1CC[NH+](CCCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000057877968 345189695 /nfs/dbraw/zinc/18/96/95/345189695.db2.gz CSAQXABRMSNJEI-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000063257620 345244696 /nfs/dbraw/zinc/24/46/96/345244696.db2.gz FZUUVNAZWSEWQM-UHFFFAOYSA-N 1 0 283.397 3.189 20 5 CGBDRO C[NH+](C)[C@@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccco1 ZINC000068658543 345357620 /nfs/dbraw/zinc/35/76/20/345357620.db2.gz WVHHWZWKKDVXRR-LBPRGKRZSA-N 1 0 293.298 3.042 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@H]1C=CCCC1)CC2 ZINC000088606429 345762832 /nfs/dbraw/zinc/76/28/32/345762832.db2.gz QGAVFTVGIVTUOQ-AWEZNQCLSA-N 1 0 258.321 3.062 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H](c2ccco2)[NH+](C)C)c1 ZINC000088698737 345763368 /nfs/dbraw/zinc/76/33/68/345763368.db2.gz DPAWACQZTXTOMK-AWEZNQCLSA-N 1 0 289.335 3.211 20 5 CGBDRO CCOC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000091676739 345820635 /nfs/dbraw/zinc/82/06/35/345820635.db2.gz UYQNWGOXLKNBBV-FNORWQNLSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@H](C)C1 ZINC000092656932 345849726 /nfs/dbraw/zinc/84/97/26/345849726.db2.gz HTBSOVYVXRWFCD-HIFRSBDPSA-N 1 0 291.395 3.070 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])CC1CC1 ZINC000116280741 345976403 /nfs/dbraw/zinc/97/64/03/345976403.db2.gz AAHFGLJPHOGIGC-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1cccc([N+](=O)[O-])c1)CCCC2 ZINC000130511828 346058476 /nfs/dbraw/zinc/05/84/76/346058476.db2.gz JZAARBTUMITKHU-UHFFFAOYSA-N 1 0 271.320 3.027 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000300240738 346436812 /nfs/dbraw/zinc/43/68/12/346436812.db2.gz UONPUSPKHMLQTM-UXIGCNINSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000402065310 346593584 /nfs/dbraw/zinc/59/35/84/346593584.db2.gz GYRUYGBSLBFRSP-CHWSQXEVSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@@H](F)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000351767392 219199960 /nfs/dbraw/zinc/19/99/60/219199960.db2.gz VGWNUZPZRVAFFN-LLVKDONJSA-N 1 0 266.316 3.307 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593682801 347103566 /nfs/dbraw/zinc/10/35/66/347103566.db2.gz YIIGYPFDVVTKPI-BPJJOFIESA-N 1 0 290.363 3.013 20 5 CGBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H](OC3CCC3)C2)cs1 ZINC000594026317 347138789 /nfs/dbraw/zinc/13/87/89/347138789.db2.gz IYSXJLCBCHEXST-CYBMUJFWSA-N 1 0 296.392 3.190 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594489862 347177166 /nfs/dbraw/zinc/17/71/66/347177166.db2.gz GQHWRQIYXPUKAU-NHYWBVRUSA-N 1 0 283.331 3.328 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594508146 347182246 /nfs/dbraw/zinc/18/22/46/347182246.db2.gz SEBIRHOEBFHHCJ-BIMULSAOSA-N 1 0 278.377 3.066 20 5 CGBDRO CC1(C)[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1(F)F ZINC000594992171 347251334 /nfs/dbraw/zinc/25/13/34/347251334.db2.gz PWBFJZBKQFMQSD-QMMMGPOBSA-N 1 0 276.308 3.037 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)c1ccccn1 ZINC000594957328 347240304 /nfs/dbraw/zinc/24/03/04/347240304.db2.gz YQGXIJWZDQAPIM-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1ccco1 ZINC000595003542 347253489 /nfs/dbraw/zinc/25/34/89/347253489.db2.gz IKWIXUDMLZDZGL-LLVKDONJSA-N 1 0 290.319 3.090 20 5 CGBDRO Cc1ccc(C[NH2+]CCC(C)(C)F)cc1[N+](=O)[O-] ZINC000594974076 347246390 /nfs/dbraw/zinc/24/63/90/347246390.db2.gz YLNDZCVGTYMJTH-UHFFFAOYSA-N 1 0 254.305 3.131 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308363337 232643414 /nfs/dbraw/zinc/64/34/14/232643414.db2.gz IPBWFHCJTIUUKR-TUKIKUTGSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595290686 347287291 /nfs/dbraw/zinc/28/72/91/347287291.db2.gz JNCGZJGSGFJBJV-SNVBAGLBSA-N 1 0 254.305 3.354 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000595303707 347289395 /nfs/dbraw/zinc/28/93/95/347289395.db2.gz BVIHENVQAZNJGT-ZDUSSCGKSA-N 1 0 264.300 3.108 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595370841 347296566 /nfs/dbraw/zinc/29/65/66/347296566.db2.gz JUHMRNWULHUAGS-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000595012205 347256615 /nfs/dbraw/zinc/25/66/15/347256615.db2.gz LFTPOWORYYEOBB-GHMZBOCLSA-N 1 0 296.392 3.150 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595015105 347257912 /nfs/dbraw/zinc/25/79/12/347257912.db2.gz YGGCRBXAZFLGCC-SNVBAGLBSA-N 1 0 286.322 3.407 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595024010 347260274 /nfs/dbraw/zinc/26/02/74/347260274.db2.gz DSKCDGNFDHMXTC-SNVBAGLBSA-N 1 0 286.322 3.407 20 5 CGBDRO CCOC1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000595041316 347266243 /nfs/dbraw/zinc/26/62/43/347266243.db2.gz PAYMRRSRGJYLKV-UHFFFAOYSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595049790 347269471 /nfs/dbraw/zinc/26/94/71/347269471.db2.gz OQBPLNMYUBFBKG-OLZOCXBDSA-N 1 0 285.347 3.444 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000595054154 347270968 /nfs/dbraw/zinc/27/09/68/347270968.db2.gz YCMLLGRYZWZNKE-FIXIBIHLSA-N 1 0 290.363 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(SC)CC1 ZINC000595055090 347271123 /nfs/dbraw/zinc/27/11/23/347271123.db2.gz ROKBBTNWBSJHBI-JTQLQIEISA-N 1 0 296.392 3.150 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595072236 347277354 /nfs/dbraw/zinc/27/73/54/347277354.db2.gz HKQPFCRKWITBDE-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1(F)F ZINC000595081324 347279663 /nfs/dbraw/zinc/27/96/63/347279663.db2.gz RCOULEDODUSELA-AAEUAGOBSA-N 1 0 282.290 3.217 20 5 CGBDRO CC(C)(F)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595086579 347279712 /nfs/dbraw/zinc/27/97/12/347279712.db2.gz LPAIDNLENKROAD-RYUDHWBXSA-N 1 0 298.362 3.003 20 5 CGBDRO Cc1noc(C[NH2+][C@H]2CCCC23CCCCC3)c1[N+](=O)[O-] ZINC000595604242 347324730 /nfs/dbraw/zinc/32/47/30/347324730.db2.gz LLYPYDNCTTZCOE-ZDUSSCGKSA-N 1 0 293.367 3.484 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755547 347350270 /nfs/dbraw/zinc/35/02/70/347350270.db2.gz NTHUUJDXKQGJMM-LBPRGKRZSA-N 1 0 266.316 3.166 20 5 CGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC000595548956 347318073 /nfs/dbraw/zinc/31/80/73/347318073.db2.gz BILXDXXMWCAEBK-GMTAPVOTSA-N 1 0 266.316 3.210 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595592656 347322830 /nfs/dbraw/zinc/32/28/30/347322830.db2.gz HVZZSDLZKPWCMH-SNVBAGLBSA-N 1 0 254.305 3.354 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000595593483 347322834 /nfs/dbraw/zinc/32/28/34/347322834.db2.gz QKTQVVAUTHZXCZ-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC3CC3)CC2)cc1 ZINC000596562751 347479539 /nfs/dbraw/zinc/47/95/39/347479539.db2.gz QCYZYTDPXJJPMH-UHFFFAOYSA-N 1 0 289.379 3.129 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598679040 347677975 /nfs/dbraw/zinc/67/79/75/347677975.db2.gz DDYUMILDYLRTET-KOLCDFICSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CC=CC1)C1CC1 ZINC000599065070 347713395 /nfs/dbraw/zinc/71/33/95/347713395.db2.gz MOFIYPAPNDJLGI-INIZCTEOSA-N 1 0 286.375 3.472 20 5 CGBDRO CCC(F)(F)CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599069075 347713728 /nfs/dbraw/zinc/71/37/28/347713728.db2.gz TXBRARGHLDLUHJ-SECBINFHSA-N 1 0 258.268 3.291 20 5 CGBDRO Cc1cc(NC[C@H]2CCCC[N@@H+](C)C2)c(F)cc1[N+](=O)[O-] ZINC000599141698 347720661 /nfs/dbraw/zinc/72/06/61/347720661.db2.gz PJWIBGQFPOYFLO-GFCCVEGCSA-N 1 0 295.358 3.186 20 5 CGBDRO CCO[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000599354583 347738660 /nfs/dbraw/zinc/73/86/60/347738660.db2.gz QKUUBRUWMQJNSL-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000599511634 347749583 /nfs/dbraw/zinc/74/95/83/347749583.db2.gz BKLOMQXRHDNUDO-VXGBXAGGSA-N 1 0 298.333 3.360 20 5 CGBDRO C[NH2+]CCc1cccc(-c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000600788947 347836168 /nfs/dbraw/zinc/83/61/68/347836168.db2.gz CRPRZEOFFNIYMQ-UHFFFAOYSA-N 1 0 270.332 3.332 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc([C@H]3CCC[NH2+]3)c2)cn1 ZINC000600790003 347836992 /nfs/dbraw/zinc/83/69/92/347836992.db2.gz WHDVQVYEHTTXRD-CQSZACIVSA-N 1 0 269.304 3.081 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000601289096 347889367 /nfs/dbraw/zinc/88/93/67/347889367.db2.gz IAAHJHCYJZHUPS-UKRRQHHQSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000601299022 347889914 /nfs/dbraw/zinc/88/99/14/347889914.db2.gz MDECURIDDIJRQP-UKTARXLSSA-N 1 0 292.379 3.071 20 5 CGBDRO [NH3+]C[C@@H]1CCN(Cc2cccc([N+](=O)[O-])c2)c2ccccc21 ZINC000601962625 347930027 /nfs/dbraw/zinc/93/00/27/347930027.db2.gz GZVGPRPLTQJMRA-AWEZNQCLSA-N 1 0 297.358 3.047 20 5 CGBDRO [NH3+]C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000601965171 347930560 /nfs/dbraw/zinc/93/05/60/347930560.db2.gz VYINKKBFOCGIPY-AWEZNQCLSA-N 1 0 297.358 3.047 20 5 CGBDRO C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)F ZINC000602697892 348011523 /nfs/dbraw/zinc/01/15/23/348011523.db2.gz BVTRGJSDYFTUHQ-MRVPVSSYSA-N 1 0 299.277 3.117 20 5 CGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777612 348027161 /nfs/dbraw/zinc/02/71/61/348027161.db2.gz HLVGSNWSYQCOCN-TZMCWYRMSA-N 1 0 294.399 3.000 20 5 CGBDRO CC[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012201 348106474 /nfs/dbraw/zinc/10/64/74/348106474.db2.gz KLSUMQUSIQMYTH-CQSZACIVSA-N 1 0 292.379 3.486 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609595479 348348821 /nfs/dbraw/zinc/34/88/21/348348821.db2.gz ANHINCCLWCTOGU-GFCCVEGCSA-N 1 0 297.786 3.215 20 5 CGBDRO Cc1nc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)o1 ZINC000357792191 233005446 /nfs/dbraw/zinc/00/54/46/233005446.db2.gz IXJZQHAWGDJALI-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000610539277 348389362 /nfs/dbraw/zinc/38/93/62/348389362.db2.gz GJUXCNBLBGAHBU-CHWSQXEVSA-N 1 0 285.347 3.444 20 5 CGBDRO C[NH+](C)CCCC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000611228015 348429116 /nfs/dbraw/zinc/42/91/16/348429116.db2.gz LCBPHEZUULTRMZ-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337518 348438985 /nfs/dbraw/zinc/43/89/85/348438985.db2.gz XLZOETFORGAPQV-GOEBONIOSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CC3)CC2)c(F)c1 ZINC000611177743 348426479 /nfs/dbraw/zinc/42/64/79/348426479.db2.gz ZKSYIKBRBPCMBH-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611180549 348426643 /nfs/dbraw/zinc/42/66/43/348426643.db2.gz ZEQQMEYLPLZGFA-ZJUUUORDSA-N 1 0 270.279 3.243 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1ccncc1 ZINC000611498446 348456180 /nfs/dbraw/zinc/45/61/80/348456180.db2.gz ZKZGBNAOKKVUOL-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@H](C[NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000619845372 349287460 /nfs/dbraw/zinc/28/74/60/349287460.db2.gz VVWMKILBTSCAHH-GFCCVEGCSA-N 1 0 264.369 3.409 20 5 CGBDRO COCCCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352090883 219316949 /nfs/dbraw/zinc/31/69/49/219316949.db2.gz DVZHPOQZZINNNV-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccccc2N(C)C)cccc1[N+](=O)[O-] ZINC000359798263 233377378 /nfs/dbraw/zinc/37/73/78/233377378.db2.gz LYPFPNMDQGCUMS-UHFFFAOYSA-N 1 0 299.374 3.259 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C2CCC2)cc1[N+](=O)[O-] ZINC000271423298 191129267 /nfs/dbraw/zinc/12/92/67/191129267.db2.gz CFJXZCUCEMHZOB-JTQLQIEISA-N 1 0 264.325 3.197 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000271478296 191162628 /nfs/dbraw/zinc/16/26/28/191162628.db2.gz JHIVEJPVMBVWIT-WXHSDQCUSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CCC1)C1CC1 ZINC000271543397 191203442 /nfs/dbraw/zinc/20/34/42/191203442.db2.gz YWEGPNIDJYEHJP-AWEZNQCLSA-N 1 0 260.337 3.058 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152456594 188020296 /nfs/dbraw/zinc/02/02/96/188020296.db2.gz GKPNIUVDMLJJHU-KBPBESRZSA-N 1 0 294.395 3.353 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC)cc1[N+](=O)[O-] ZINC000152551661 188027904 /nfs/dbraw/zinc/02/79/04/188027904.db2.gz ZWQZNJFMVGWCRP-QWRGUYRKSA-N 1 0 266.341 3.443 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)CCOC)cc1[N+](=O)[O-] ZINC000153466568 188084692 /nfs/dbraw/zinc/08/46/92/188084692.db2.gz ZRIKIOMRJKKHKC-NEPJUHHUSA-N 1 0 296.367 3.069 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000292378364 198265224 /nfs/dbraw/zinc/26/52/24/198265224.db2.gz JJHAYUFXAHZPBI-ZDUSSCGKSA-N 1 0 294.420 3.478 20 5 CGBDRO CCSCC[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000273631355 192238328 /nfs/dbraw/zinc/23/83/28/192238328.db2.gz ADAGYHNXIGRXMC-UHFFFAOYSA-N 1 0 288.800 3.133 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123639551 138368720 /nfs/dbraw/zinc/36/87/20/138368720.db2.gz OJYPNLBSAISGSQ-HZPDHXFCSA-N 1 0 294.395 3.433 20 5 CGBDRO COC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000180197356 138429493 /nfs/dbraw/zinc/42/94/93/138429493.db2.gz NIAXZKMSYNANLC-GFCCVEGCSA-N 1 0 278.352 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)c1 ZINC000424173699 236128073 /nfs/dbraw/zinc/12/80/73/236128073.db2.gz OKWPGZMQMFGPFP-ZFWWWQNUSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1 ZINC000426768852 236312580 /nfs/dbraw/zinc/31/25/80/236312580.db2.gz CSRHYVODDPZHTH-GJZGRUSLSA-N 1 0 274.364 3.259 20 5 CGBDRO CCSCC[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294803966 199190145 /nfs/dbraw/zinc/19/01/45/199190145.db2.gz PCPGNJVPULYZIH-WDEREUQCSA-N 1 0 297.424 3.359 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000341268984 215901224 /nfs/dbraw/zinc/90/12/24/215901224.db2.gz LKWBHERNZUZFTQ-BNVCYRGBSA-N 1 0 290.363 3.013 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297414692 200181684 /nfs/dbraw/zinc/18/16/84/200181684.db2.gz UGDVQSGHWUHFBL-BBRMVZONSA-N 1 0 294.395 3.434 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341883575 216138362 /nfs/dbraw/zinc/13/83/62/216138362.db2.gz FOKNVAGZCVGYRB-CORIIIEPSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2c(F)cccc2[N+](=O)[O-])C1 ZINC000341935846 216159808 /nfs/dbraw/zinc/15/98/08/216159808.db2.gz SGSYCKSIWNZTKJ-GFCCVEGCSA-N 1 0 295.358 3.266 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341968290 216170344 /nfs/dbraw/zinc/17/03/44/216170344.db2.gz ARZPQRFBFCIZCK-CZUORRHYSA-N 1 0 290.363 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H](F)C2)c(Cl)c1 ZINC000342275165 216286209 /nfs/dbraw/zinc/28/62/09/216286209.db2.gz AGPGUDCHGWNLOS-ZJUUUORDSA-N 1 0 272.707 3.228 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000181553909 189300046 /nfs/dbraw/zinc/30/00/46/189300046.db2.gz ZERWOEBTYQEJFF-LBPRGKRZSA-N 1 0 286.331 3.460 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)[C@@H](C)C1 ZINC000301951768 201273274 /nfs/dbraw/zinc/27/32/74/201273274.db2.gz HTBSOVYVXRWFCD-ZFWWWQNUSA-N 1 0 291.395 3.070 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1sccc1[N+](=O)[O-] ZINC000301980862 201285504 /nfs/dbraw/zinc/28/55/04/201285504.db2.gz GTWCTRMPTXBYDD-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449172816 239220920 /nfs/dbraw/zinc/22/09/20/239220920.db2.gz MMABYCQELKCSAR-ZIAGYGMSSA-N 1 0 299.374 3.142 20 5 CGBDRO CS[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309823 240271842 /nfs/dbraw/zinc/27/18/42/240271842.db2.gz DUGAPSXRNVQKMB-MFKMUULPSA-N 1 0 266.366 3.093 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459739039 242202587 /nfs/dbraw/zinc/20/25/87/242202587.db2.gz APOXQRMAMBQQLP-OLCROJSASA-N 1 0 272.348 3.386 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000459761906 242217438 /nfs/dbraw/zinc/21/74/38/242217438.db2.gz NFHLTIDZQQAUFZ-LQJRIPTKSA-N 1 0 264.300 3.012 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483868690 243301172 /nfs/dbraw/zinc/30/11/72/243301172.db2.gz NLKAHPXBHPRGLX-IACUBPJLSA-N 1 0 294.395 3.351 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000484299099 243311059 /nfs/dbraw/zinc/31/10/59/243311059.db2.gz ZSBJUPPDYZRSCY-TUKIKUTGSA-N 1 0 292.379 3.367 20 5 CGBDRO C[NH+](C)CC(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000020010251 368793542 /nfs/dbraw/zinc/79/35/42/368793542.db2.gz ZFTQPQKZWYBAOO-UHFFFAOYSA-N 1 0 285.775 3.248 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCSc2ccccc2)cc1 ZINC000037854585 369119251 /nfs/dbraw/zinc/11/92/51/369119251.db2.gz DYDOJXVNDPHTBH-UHFFFAOYSA-N 1 0 288.372 3.477 20 5 CGBDRO C[C@@H]([NH2+]C1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000037775628 369109334 /nfs/dbraw/zinc/10/93/34/369109334.db2.gz MZLIBHLBJSGLRJ-GFCCVEGCSA-N 1 0 282.343 3.413 20 5 CGBDRO CC1CC[NH+](CCNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000040444303 369156173 /nfs/dbraw/zinc/15/61/73/369156173.db2.gz JRUPLPXCHRTEAN-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775094 369164028 /nfs/dbraw/zinc/16/40/28/369164028.db2.gz VUHZRTILMHFSHS-HOCLYGCPSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1cc(F)ccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000050577824 369441244 /nfs/dbraw/zinc/44/12/44/369441244.db2.gz DLZABUFNFDYBIC-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994728 369460028 /nfs/dbraw/zinc/46/00/28/369460028.db2.gz PNTKOSFABCHBKY-JYJNAYRXSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1 ZINC000064805765 369661242 /nfs/dbraw/zinc/66/12/42/369661242.db2.gz CUYJBAGOADIHAG-UHFFFAOYSA-N 1 0 280.368 3.232 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000094424081 370168331 /nfs/dbraw/zinc/16/83/31/370168331.db2.gz NLYGYJXSZWQRAB-AWEZNQCLSA-N 1 0 292.379 3.073 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000112989626 370460766 /nfs/dbraw/zinc/46/07/66/370460766.db2.gz ZVAHHBFQLDTEIP-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967049 371072883 /nfs/dbraw/zinc/07/28/83/371072883.db2.gz CAHREGFJBWQZKJ-DGCLKSJQSA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)COC(C)C)cc1[N+](=O)[O-] ZINC000337348904 214023398 /nfs/dbraw/zinc/02/33/98/214023398.db2.gz ZPJXDRJWVALLCX-CHWSQXEVSA-N 1 0 280.368 3.367 20 5 CGBDRO Cc1c(C[N@@H+]2CCC(F)(F)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000289949526 371860096 /nfs/dbraw/zinc/86/00/96/371860096.db2.gz VYUYVHRZQLYPHR-JTQLQIEISA-N 1 0 284.306 3.380 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000290162416 371918263 /nfs/dbraw/zinc/91/82/63/371918263.db2.gz QEZNXAUDUWBFKG-UHFFFAOYSA-N 1 0 280.368 3.137 20 5 CGBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156570441 371985169 /nfs/dbraw/zinc/98/51/69/371985169.db2.gz RWIGLZIHKDWHAL-ZFWWWQNUSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000290281854 371954094 /nfs/dbraw/zinc/95/40/94/371954094.db2.gz XGXVZIDLZOMRBB-SWLSCSKDSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)c1 ZINC000290531017 372010415 /nfs/dbraw/zinc/01/04/15/372010415.db2.gz QSACSUYYODSAER-IXDOHACOSA-N 1 0 280.327 3.023 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290543222 372012745 /nfs/dbraw/zinc/01/27/45/372012745.db2.gz ZYVVUUYNDHAKPA-GXTWGEPZSA-N 1 0 298.342 3.422 20 5 CGBDRO C[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CCC1 ZINC000425415936 372125713 /nfs/dbraw/zinc/12/57/13/372125713.db2.gz HKUDCUHAJRVQPX-UHFFFAOYSA-N 1 0 299.168 3.342 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000344324686 217149747 /nfs/dbraw/zinc/14/97/47/217149747.db2.gz HAUVRHJJVJQFOY-PWSUYJOCSA-N 1 0 298.770 3.153 20 5 CGBDRO CCCCOCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429239838 372327923 /nfs/dbraw/zinc/32/79/23/372327923.db2.gz VMSGNQPAXROIRX-UHFFFAOYSA-N 1 0 280.368 3.236 20 5 CGBDRO CCOCC(C)(C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000293336925 372359531 /nfs/dbraw/zinc/35/95/31/372359531.db2.gz SALPEPXDKDKLHG-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000293687308 372451036 /nfs/dbraw/zinc/45/10/36/372451036.db2.gz NSOVNCCITQVKDM-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000164084524 372506351 /nfs/dbraw/zinc/50/63/51/372506351.db2.gz UVVLCVSNHDRJAT-ZYHUDNBSSA-N 1 0 268.382 3.387 20 5 CGBDRO CC[C@H]([NH2+]CC[C@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165452374 372551151 /nfs/dbraw/zinc/55/11/51/372551151.db2.gz GUCNIHDOHMUAKM-GJZGRUSLSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432323522 372558243 /nfs/dbraw/zinc/55/82/43/372558243.db2.gz QWEBCOXCCYYAEX-NSHDSACASA-N 1 0 297.786 3.169 20 5 CGBDRO CCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000434989656 372722779 /nfs/dbraw/zinc/72/27/79/372722779.db2.gz BSVUMAFDGKAWLA-UHFFFAOYSA-N 1 0 288.294 3.428 20 5 CGBDRO Cc1ccc(C[NH2+]C2(CCO)CCCCC2)cc1[N+](=O)[O-] ZINC000344620666 217252098 /nfs/dbraw/zinc/25/20/98/217252098.db2.gz KLHQZHVJLPFJOK-UHFFFAOYSA-N 1 0 292.379 3.078 20 5 CGBDRO CS[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052489 373006581 /nfs/dbraw/zinc/00/65/81/373006581.db2.gz AYZNAKCRDUBWFG-YPMHNXCESA-N 1 0 280.393 3.402 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000344768566 217305629 /nfs/dbraw/zinc/30/56/29/217305629.db2.gz DUPWTLHMVUJDOM-LLVKDONJSA-N 1 0 270.279 3.262 20 5 CGBDRO COc1ccc(C[NH2+]CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000296095871 373021431 /nfs/dbraw/zinc/02/14/31/373021431.db2.gz RLERNTYWFXLTNB-UHFFFAOYSA-N 1 0 288.294 3.128 20 5 CGBDRO COC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CCC1 ZINC000344805749 217317352 /nfs/dbraw/zinc/31/73/52/217317352.db2.gz DZNBEGOJQYNFRM-LCYFTJDESA-N 1 0 290.363 3.157 20 5 CGBDRO COc1ccc2c(c1)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000173233164 373111776 /nfs/dbraw/zinc/11/17/76/373111776.db2.gz ODCHVFGCEFFYPM-INIZCTEOSA-N 1 0 298.342 3.381 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCOC1 ZINC000344848743 217332523 /nfs/dbraw/zinc/33/25/23/217332523.db2.gz AJFCCNLVWXLKQE-ODDCISTRSA-N 1 0 290.363 3.014 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000446728744 373347052 /nfs/dbraw/zinc/34/70/52/373347052.db2.gz POXOPOXQBHPXSW-NSHDSACASA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000300411536 373628174 /nfs/dbraw/zinc/62/81/74/373628174.db2.gz OAMVZRYWXXAJTM-GUTXKFCHSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000301177121 373683501 /nfs/dbraw/zinc/68/35/01/373683501.db2.gz GIWQMYFQUBKHMO-CQSZACIVSA-N 1 0 289.379 3.050 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000301390345 373769725 /nfs/dbraw/zinc/76/97/25/373769725.db2.gz GGYRZGUSWBYHDC-AWEZNQCLSA-N 1 0 289.379 3.332 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000449497622 373794005 /nfs/dbraw/zinc/79/40/05/373794005.db2.gz ISGKNNJSEQNGCS-INIZCTEOSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)c1 ZINC000449735712 373862949 /nfs/dbraw/zinc/86/29/49/373862949.db2.gz UOCIKASZKALRFH-OAHLLOKOSA-N 1 0 292.404 3.314 20 5 CGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781543 373959843 /nfs/dbraw/zinc/95/98/43/373959843.db2.gz RXEZGYVWBFNWAK-JQWIXIFHSA-N 1 0 297.786 3.025 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000182842117 374334563 /nfs/dbraw/zinc/33/45/63/374334563.db2.gz KMKPKBOAZJZBGS-ZDUSSCGKSA-N 1 0 292.379 3.323 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330663248 374488743 /nfs/dbraw/zinc/48/87/43/374488743.db2.gz SWPQALYHOTUVJW-DGCLKSJQSA-N 1 0 278.352 3.366 20 5 CGBDRO CCC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC1CC1 ZINC000184226768 374506383 /nfs/dbraw/zinc/50/63/83/374506383.db2.gz RLIKMDJUICDARW-UHFFFAOYSA-N 1 0 296.342 3.365 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331467494 374534978 /nfs/dbraw/zinc/53/49/78/374534978.db2.gz KBKILMDFQBTVHA-MNOVXSKESA-N 1 0 288.351 3.234 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185192895 374606941 /nfs/dbraw/zinc/60/69/41/374606941.db2.gz NQIHWTXBKNTADX-JKSUJKDBSA-N 1 0 292.379 3.278 20 5 CGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000185239604 374618964 /nfs/dbraw/zinc/61/89/64/374618964.db2.gz ZXOJRKFJVMHSDT-LSDHHAIUSA-N 1 0 292.379 3.277 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1COc2ccccc21 ZINC000185584849 374694080 /nfs/dbraw/zinc/69/40/80/374694080.db2.gz PWSMZBBJQQOREB-DOMZBBRYSA-N 1 0 298.342 3.249 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000464782274 374899203 /nfs/dbraw/zinc/89/92/03/374899203.db2.gz WLUDJJZKGGUNRU-INIZCTEOSA-N 1 0 292.379 3.486 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000464841233 374907096 /nfs/dbraw/zinc/90/70/96/374907096.db2.gz CDVIQRSZVKVHNQ-STQMWFEESA-N 1 0 292.379 3.470 20 5 CGBDRO COc1ccc(C[N@@H+]2CCCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000187954017 375125817 /nfs/dbraw/zinc/12/58/17/375125817.db2.gz GKPMVVDZVVQJTL-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000191851921 375670083 /nfs/dbraw/zinc/67/00/83/375670083.db2.gz KXJQZEWWPBPQIJ-CQSZACIVSA-N 1 0 296.342 3.411 20 5 CGBDRO CCC(CC)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000507159967 375681023 /nfs/dbraw/zinc/68/10/23/375681023.db2.gz JZYQMHABARUICY-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO CCC(C)(C)C[NH2+]Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000192352368 375738561 /nfs/dbraw/zinc/73/85/61/375738561.db2.gz TWYAZTWPOVJPIF-UHFFFAOYSA-N 1 0 296.367 3.138 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336792963 375941007 /nfs/dbraw/zinc/94/10/07/375941007.db2.gz UXQYJRSNFWNZFL-KOLCDFICSA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000338002218 376254067 /nfs/dbraw/zinc/25/40/67/376254067.db2.gz UUDLRNKFDRTUJW-LSDHHAIUSA-N 1 0 260.337 3.263 20 5 CGBDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000538725952 376259624 /nfs/dbraw/zinc/25/96/24/376259624.db2.gz IWTIYAPSSGXFJM-AAEUAGOBSA-N 1 0 262.353 3.381 20 5 CGBDRO COC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000226652541 376367741 /nfs/dbraw/zinc/36/77/41/376367741.db2.gz DGNCWTHKEXTJGF-INIZCTEOSA-N 1 0 286.331 3.072 20 5 CGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000338474902 376386549 /nfs/dbraw/zinc/38/65/49/376386549.db2.gz MJCQFWAFMCPGLO-ZSBIGDGJSA-N 1 0 298.408 3.340 20 5 CGBDRO CC1(C)SC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338477768 376388058 /nfs/dbraw/zinc/38/80/58/376388058.db2.gz QDOVJPUVQOZFEB-SCXUMTSISA-N 1 0 278.377 3.092 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000541771023 376481253 /nfs/dbraw/zinc/48/12/53/376481253.db2.gz LBUYFUDIPQMSHN-AAEUAGOBSA-N 1 0 262.353 3.381 20 5 CGBDRO CC[NH+](CC)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000338893827 376562011 /nfs/dbraw/zinc/56/20/11/376562011.db2.gz DUCVUCOOKVPWFG-UHFFFAOYSA-N 1 0 276.258 3.455 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000543171872 376613984 /nfs/dbraw/zinc/61/39/84/376613984.db2.gz JSQIFMMCGDXVSZ-AWEZNQCLSA-N 1 0 290.363 3.262 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CC2)c(Cl)c1 ZINC000543415247 376638040 /nfs/dbraw/zinc/63/80/40/376638040.db2.gz LALWBRUCPDWLSJ-UHFFFAOYSA-N 1 0 266.728 3.280 20 5 CGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543860169 376684542 /nfs/dbraw/zinc/68/45/42/376684542.db2.gz RNXAFRJKJPDFMF-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000544115806 376705254 /nfs/dbraw/zinc/70/52/54/376705254.db2.gz XEPRAABRAKNKPY-AWEZNQCLSA-N 1 0 290.363 3.262 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340447352 377065451 /nfs/dbraw/zinc/06/54/51/377065451.db2.gz UIMVJXFJAJASCM-QWRGUYRKSA-N 1 0 287.319 3.107 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000247057937 377150250 /nfs/dbraw/zinc/15/02/50/377150250.db2.gz XHHBNFSHZJVWMJ-BSLXNSKLSA-N 1 0 290.363 3.059 20 5 CGBDRO CCC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)C ZINC000563366064 377450799 /nfs/dbraw/zinc/45/07/99/377450799.db2.gz HTRJSTFDYJUURQ-UHFFFAOYSA-N 1 0 293.367 3.044 20 5 CGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000090794941 249030025 /nfs/dbraw/zinc/03/00/25/249030025.db2.gz ZGLODDDZDZXXCE-VHSXEESVSA-N 1 0 283.759 3.143 20 5 CGBDRO COCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000092563274 249033966 /nfs/dbraw/zinc/03/39/66/249033966.db2.gz MIRLYIJDLIXIEX-SOFGYWHQSA-N 1 0 292.379 3.212 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234516 249095382 /nfs/dbraw/zinc/09/53/82/249095382.db2.gz XJXWJHPGRJHADO-NWDGAFQWSA-N 1 0 293.342 3.081 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCCCO1 ZINC000573741434 377569435 /nfs/dbraw/zinc/56/94/35/377569435.db2.gz IPAKSCOSUYNBEF-WFASDCNBSA-N 1 0 290.363 3.131 20 5 CGBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000515178213 249203396 /nfs/dbraw/zinc/20/33/96/249203396.db2.gz IXJUXTDVNFVTKP-UHFFFAOYSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000573908517 377592391 /nfs/dbraw/zinc/59/23/91/377592391.db2.gz UZRXQUNVUNNYPZ-LEWSCRJBSA-N 1 0 260.337 3.434 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000574414353 377661461 /nfs/dbraw/zinc/66/14/61/377661461.db2.gz LQXPLBAPKUPLNB-SOUVJXGZSA-N 1 0 272.348 3.360 20 5 CGBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000575882244 377997550 /nfs/dbraw/zinc/99/75/50/377997550.db2.gz NUGOWABPIDMEGL-UHFFFAOYSA-N 1 0 294.395 3.262 20 5 CGBDRO CSCCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000343657060 378056904 /nfs/dbraw/zinc/05/69/04/378056904.db2.gz KHWCTQRIPYRIHR-YVMONPNESA-N 1 0 280.393 3.293 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000343940188 378138555 /nfs/dbraw/zinc/13/85/55/378138555.db2.gz DKACSBOASVCVJN-JTQLQIEISA-N 1 0 299.321 3.159 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000579338687 378151301 /nfs/dbraw/zinc/15/13/01/378151301.db2.gz APFWCFVRWCRVER-KBPBESRZSA-N 1 0 293.411 3.366 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCCSCC1 ZINC000270516137 378361686 /nfs/dbraw/zinc/36/16/86/378361686.db2.gz DENLWLMXRVMQIF-NSHDSACASA-N 1 0 266.366 3.095 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000270598566 378372698 /nfs/dbraw/zinc/37/26/98/378372698.db2.gz AEXDPFDDOIFZGF-HIFRSBDPSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272949008 378729441 /nfs/dbraw/zinc/72/94/41/378729441.db2.gz DCUOFIBKGIDKKQ-RDBSUJKOSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000348193485 378833098 /nfs/dbraw/zinc/83/30/98/378833098.db2.gz MYVRFZDCZFBKHU-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245525 378861089 /nfs/dbraw/zinc/86/10/89/378861089.db2.gz KKQHREKSZVCEFB-SKDRFNHKSA-N 1 0 288.269 3.368 20 5 CGBDRO CC(C)C[C@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348369446 378930671 /nfs/dbraw/zinc/93/06/71/378930671.db2.gz GAZVVWHCNICXQY-NSHDSACASA-N 1 0 290.367 3.243 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000348699025 379021968 /nfs/dbraw/zinc/02/19/68/379021968.db2.gz ABYXCSPLACYYIP-CQSZACIVSA-N 1 0 292.379 3.329 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277303413 379124068 /nfs/dbraw/zinc/12/40/68/379124068.db2.gz UIWOUCAZNDEWOC-DZGCQCFKSA-N 1 0 291.395 3.072 20 5 CGBDRO CC[C@@H]1CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000266552425 190266749 /nfs/dbraw/zinc/26/67/49/190266749.db2.gz USNFUKBTZKZCQM-FRRDWIJNSA-N 1 0 278.352 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H]3CCCC[C@H]32)cc1F ZINC000377760904 379733710 /nfs/dbraw/zinc/73/37/10/379733710.db2.gz AXINOQSIRHIASW-DGCLKSJQSA-N 1 0 264.300 3.108 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283454603 380062944 /nfs/dbraw/zinc/06/29/44/380062944.db2.gz YLHVOVQZTAYTGX-UHFFFAOYSA-N 1 0 293.367 3.044 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414498969 380274559 /nfs/dbraw/zinc/27/45/59/380274559.db2.gz NUULINKWSQRUHL-IMDQPDPASA-N 1 0 292.404 3.482 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CS1 ZINC000414502157 380277570 /nfs/dbraw/zinc/27/75/70/380277570.db2.gz OUAUZNBGSPKUGE-FJYXQWIHSA-N 1 0 278.377 3.092 20 5 CGBDRO C[C@H](CCCO)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310495 380589221 /nfs/dbraw/zinc/58/92/21/380589221.db2.gz KGXPLBXBOMJQAZ-WBMJQRKESA-N 1 0 292.379 3.113 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC13CC3)CCC2 ZINC000417337932 380597543 /nfs/dbraw/zinc/59/75/43/380597543.db2.gz MEWIODLZQMFQEI-IUODEOHRSA-N 1 0 272.348 3.362 20 5 CGBDRO CCC[NH+](CCC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355451060 380672447 /nfs/dbraw/zinc/67/24/47/380672447.db2.gz CWMMSJFOGWSKKP-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000348274465 218541673 /nfs/dbraw/zinc/54/16/73/218541673.db2.gz BQKYEHKTLHVVQS-UONOGXRCSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000357025903 380997483 /nfs/dbraw/zinc/99/74/83/380997483.db2.gz QFRCBHDURPNGHO-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO CSc1cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)ccn1 ZINC000357361767 381127204 /nfs/dbraw/zinc/12/72/04/381127204.db2.gz YRCJOAQWRHLIIC-UHFFFAOYSA-N 1 0 289.360 3.002 20 5 CGBDRO CCCCN(C)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361400699 381733099 /nfs/dbraw/zinc/73/30/99/381733099.db2.gz RBOXHYSFCRGBBY-MRXNPFEDSA-N 1 0 293.411 3.367 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)cc1 ZINC000191656705 285115210 /nfs/dbraw/zinc/11/52/10/285115210.db2.gz CSCPBSHZPRFRCK-MRXNPFEDSA-N 1 0 298.342 3.468 20 5 CGBDRO COCC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350457942 219024852 /nfs/dbraw/zinc/02/48/52/219024852.db2.gz ITPSQAGPMCVCCS-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCSCC1)CCC2 ZINC000192979769 285144492 /nfs/dbraw/zinc/14/44/92/285144492.db2.gz JBOXFPPPYMWXMF-OAHLLOKOSA-N 1 0 292.404 3.457 20 5 CGBDRO CCOCC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000288648917 197136654 /nfs/dbraw/zinc/13/66/54/197136654.db2.gz UXFLBNUWJSTTRY-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000288425281 197075048 /nfs/dbraw/zinc/07/50/48/197075048.db2.gz KHDAVZMTQOBYIL-CYBMUJFWSA-N 1 0 280.393 3.136 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000287582981 196891309 /nfs/dbraw/zinc/89/13/09/196891309.db2.gz RCRZSUINWDLVJA-UBHSHLNASA-N 1 0 292.379 3.226 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282171522 195527901 /nfs/dbraw/zinc/52/79/01/195527901.db2.gz MFXSMBASGQHEHX-WWGRRREGSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000366266336 533370204 /nfs/dbraw/zinc/37/02/04/533370204.db2.gz HUEILHAGFJMRAR-CYBMUJFWSA-N 1 0 284.381 3.047 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cc(F)cc(F)c2)c1 ZINC000051634545 392071468 /nfs/dbraw/zinc/07/14/68/392071468.db2.gz QEWRDYVQQDRMEB-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000050351983 392063379 /nfs/dbraw/zinc/06/33/79/392063379.db2.gz MTJDSAROJUMVGB-SNVBAGLBSA-N 1 0 295.770 3.144 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000091098064 392230020 /nfs/dbraw/zinc/23/00/20/392230020.db2.gz UUAKSVWZSBEDFW-CYBMUJFWSA-N 1 0 282.409 3.211 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361810984 392330949 /nfs/dbraw/zinc/33/09/49/392330949.db2.gz IHGOINNHDPLVFY-XPKDYRNWSA-N 1 0 294.395 3.433 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361948383 392373637 /nfs/dbraw/zinc/37/36/37/392373637.db2.gz ZDBBTGIODXZNDS-XHVZSJERSA-N 1 0 266.366 3.139 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000294189270 392534492 /nfs/dbraw/zinc/53/44/92/392534492.db2.gz KFCUXCGXUBFZRL-ZDUSSCGKSA-N 1 0 276.336 3.192 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC000509393950 392748353 /nfs/dbraw/zinc/74/83/53/392748353.db2.gz UMBQSGPIYFXIHR-QWRGUYRKSA-N 1 0 296.317 3.495 20 5 CGBDRO CCCC[N@H+](CCCO)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271700573 393253434 /nfs/dbraw/zinc/25/34/34/393253434.db2.gz HHSNQICXQMFEPP-ZDUSSCGKSA-N 1 0 280.368 3.140 20 5 CGBDRO Cc1cccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000355213577 393262883 /nfs/dbraw/zinc/26/28/83/393262883.db2.gz FNQPPGWSSNTGEH-YVMONPNESA-N 1 0 297.358 3.144 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@H]2C2CC2)cc1 ZINC000356281765 393405888 /nfs/dbraw/zinc/40/58/88/393405888.db2.gz MMNFPZRKAZLXCO-OAHLLOKOSA-N 1 0 272.348 3.359 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CC2)cc1 ZINC000356281764 393406073 /nfs/dbraw/zinc/40/60/73/393406073.db2.gz MMNFPZRKAZLXCO-HNNXBMFYSA-N 1 0 272.348 3.359 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000430212129 393540332 /nfs/dbraw/zinc/54/03/32/393540332.db2.gz ZOCJIDKLDHQMPI-NEPJUHHUSA-N 1 0 278.352 3.081 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430197743 393538597 /nfs/dbraw/zinc/53/85/97/393538597.db2.gz PAKQSCAKDDAZOO-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO C[NH+](C)CC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000432340151 393605869 /nfs/dbraw/zinc/60/58/69/393605869.db2.gz LLNIZAQDCKHXLB-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])nc2)CCCCCC1 ZINC000490056149 393629156 /nfs/dbraw/zinc/62/91/56/393629156.db2.gz HENDFHKGRBNTEV-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO C[C@@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000361023296 393646960 /nfs/dbraw/zinc/64/69/60/393646960.db2.gz UPJJPACCPYCYNU-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000361039945 393652484 /nfs/dbraw/zinc/65/24/84/393652484.db2.gz FOWGJTZFXFCJLK-INIZCTEOSA-N 1 0 292.379 3.452 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000492626970 393765050 /nfs/dbraw/zinc/76/50/50/393765050.db2.gz BWOBDEJFEPRCRY-CQSZACIVSA-N 1 0 292.379 3.471 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cs1 ZINC000449531331 393885684 /nfs/dbraw/zinc/88/56/84/393885684.db2.gz BLZQGVYAGOVUBU-GXTWGEPZSA-N 1 0 278.377 3.277 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCC1CC(F)(F)C1 ZINC000453593402 394252716 /nfs/dbraw/zinc/25/27/16/394252716.db2.gz VFIJITGZNGXREG-UHFFFAOYSA-N 1 0 270.279 3.120 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420409851 299658138 /nfs/dbraw/zinc/65/81/38/299658138.db2.gz WILHXBZKDRPVTE-TZMCWYRMSA-N 1 0 297.358 3.046 20 5 CGBDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000161110842 397658565 /nfs/dbraw/zinc/65/85/65/397658565.db2.gz YPGYQBHZMGZLFL-BJJXKVORSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)C[C@@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000552560275 289192749 /nfs/dbraw/zinc/19/27/49/289192749.db2.gz RCCKJGFDNVOFRZ-GFCCVEGCSA-N 1 0 262.353 3.388 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000441248715 286034027 /nfs/dbraw/zinc/03/40/27/286034027.db2.gz NIHWEZZDTUNPLG-ZLDLUXBVSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000125361392 287051362 /nfs/dbraw/zinc/05/13/62/287051362.db2.gz WVVJMSIPYPFGMY-NWDGAFQWSA-N 1 0 278.352 3.061 20 5 CGBDRO COC[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)C ZINC000086701001 287083669 /nfs/dbraw/zinc/08/36/69/287083669.db2.gz LEMZEPXGUXJHAS-GFCCVEGCSA-N 1 0 286.759 3.009 20 5 CGBDRO C[C@@H](c1ccco1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069065415 165048914 /nfs/dbraw/zinc/04/89/14/165048914.db2.gz DGEIMKQNDXZCIE-LBPRGKRZSA-N 1 0 290.319 3.260 20 5 CGBDRO CC[NH2+][C@@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000081777048 165164777 /nfs/dbraw/zinc/16/47/77/165164777.db2.gz VTQBJDBQONKGCX-JTQLQIEISA-N 1 0 254.355 3.075 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081707779 165165436 /nfs/dbraw/zinc/16/54/36/165165436.db2.gz DWVPXEVYANDDOW-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC=CCC2)c(Cl)c1 ZINC000088748407 165195016 /nfs/dbraw/zinc/19/50/16/165195016.db2.gz YEGIVUNYNDDHTI-LLVKDONJSA-N 1 0 266.728 3.447 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1ccc([N+](=O)[O-])cc1 ZINC000090087660 165229570 /nfs/dbraw/zinc/22/95/70/165229570.db2.gz UPQKUGBMZZUSIO-NWDGAFQWSA-N 1 0 280.368 3.043 20 5 CGBDRO C[N@H+](CCCCCF)Cc1ccccc1[N+](=O)[O-] ZINC000284302137 196024695 /nfs/dbraw/zinc/02/46/95/196024695.db2.gz ZFMNLEODOXAGEW-UHFFFAOYSA-N 1 0 254.305 3.166 20 5 CGBDRO CCC(CC)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000125032230 287239245 /nfs/dbraw/zinc/23/92/45/287239245.db2.gz YCOCAIOEOJFION-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000020130085 171018504 /nfs/dbraw/zinc/01/85/04/171018504.db2.gz QEMNHEKXKHUSGE-HNNXBMFYSA-N 1 0 268.316 3.372 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000020565974 171254254 /nfs/dbraw/zinc/25/42/54/171254254.db2.gz SZZXZSSAYBNKDP-DGCLKSJQSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000284859758 196146613 /nfs/dbraw/zinc/14/66/13/196146613.db2.gz DCNMLJZFQGSBEG-JKSUJKDBSA-N 1 0 290.363 3.047 20 5 CGBDRO CCOC1CC(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000285121487 196201263 /nfs/dbraw/zinc/20/12/63/196201263.db2.gz ANEYVAKJFDTGMO-PNESKVBLSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ncc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])s1 ZINC000285278833 196239762 /nfs/dbraw/zinc/23/97/62/196239762.db2.gz JHUFYYLSVNOCTF-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO CCC[C@@H]([NH2+]C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037267003 173077519 /nfs/dbraw/zinc/07/75/19/173077519.db2.gz ISDBGMYMUCLACX-MRXNPFEDSA-N 1 0 291.395 3.120 20 5 CGBDRO CCOc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000037505647 173240993 /nfs/dbraw/zinc/24/09/93/173240993.db2.gz JROCGRUUMDWDDI-UHFFFAOYSA-N 1 0 286.331 3.283 20 5 CGBDRO COc1ccc(C[NH2+]C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000042187432 174653436 /nfs/dbraw/zinc/65/34/36/174653436.db2.gz FTUSTQVXDCNRDS-UHFFFAOYSA-N 1 0 264.325 3.026 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)ccn1 ZINC000391223619 262392153 /nfs/dbraw/zinc/39/21/53/262392153.db2.gz XUTFVOXLZLNHHH-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CC(C)CCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045093982 270037994 /nfs/dbraw/zinc/03/79/94/270037994.db2.gz HMDVCDSETBSTPL-CYBMUJFWSA-N 1 0 280.368 3.308 20 5 CGBDRO C[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000158064492 270052529 /nfs/dbraw/zinc/05/25/29/270052529.db2.gz QCBMWSXVFWWSCU-FZMZJTMJSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184588651 270059105 /nfs/dbraw/zinc/05/91/05/270059105.db2.gz MBMTXWJQJUMFAJ-GXFFZTMASA-N 1 0 266.316 3.402 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000322637918 270093976 /nfs/dbraw/zinc/09/39/76/270093976.db2.gz BGLPIPKDHULJSA-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000323055066 270094144 /nfs/dbraw/zinc/09/41/44/270094144.db2.gz RQYUJALLIPJFBT-ZDUSSCGKSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@@H]1C[C@H]1C ZINC000519810974 270098230 /nfs/dbraw/zinc/09/82/30/270098230.db2.gz ARUKGPTUVMYFLF-JTNHKYCSSA-N 1 0 287.363 3.253 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1cccc([N+](=O)[O-])c1 ZINC000530662349 270201612 /nfs/dbraw/zinc/20/16/12/270201612.db2.gz NFMLXAXTYCBJIV-GFCCVEGCSA-N 1 0 250.342 3.463 20 5 CGBDRO CC/C=C/CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000466832138 273577807 /nfs/dbraw/zinc/57/78/07/273577807.db2.gz BLYRGJOUOUTJON-ONEGZZNKSA-N 1 0 289.379 3.073 20 5 CGBDRO CC[C@H](CCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433271772 273746132 /nfs/dbraw/zinc/74/61/32/273746132.db2.gz NVHGIDUGNFOUQB-ABAIWWIYSA-N 1 0 292.379 3.068 20 5 CGBDRO COc1ccc2c(c1)[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])CC2 ZINC000173233148 274136940 /nfs/dbraw/zinc/13/69/40/274136940.db2.gz ODCHVFGCEFFYPM-MRXNPFEDSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 ZINC000338956071 274302510 /nfs/dbraw/zinc/30/25/10/274302510.db2.gz HXDJOEWFDWRRIP-SECBINFHSA-N 1 0 288.269 3.455 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359639 274553416 /nfs/dbraw/zinc/55/34/16/274553416.db2.gz RSAXMFDXXADXAL-GWCFXTLKSA-N 1 0 293.323 3.171 20 5 CGBDRO Cc1cc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000453298073 274697933 /nfs/dbraw/zinc/69/79/33/274697933.db2.gz UEHKKLFOVHQDHD-KRWDZBQOSA-N 1 0 297.358 3.465 20 5 CGBDRO Cc1cc(N2CCC(F)(F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000340789796 274703460 /nfs/dbraw/zinc/70/34/60/274703460.db2.gz DKRVZYJLSFZXKU-UHFFFAOYSA-N 1 0 293.273 3.297 20 5 CGBDRO Cn1ccc(C[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000279132040 274895376 /nfs/dbraw/zinc/89/53/76/274895376.db2.gz RBGPBOVIICXNEV-MRXNPFEDSA-N 1 0 299.374 3.446 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449401191 276559918 /nfs/dbraw/zinc/55/99/18/276559918.db2.gz FULZWPNOPCLACY-XHDPSFHLSA-N 1 0 280.368 3.054 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000361805551 287911401 /nfs/dbraw/zinc/91/14/01/287911401.db2.gz VNJSYYLIXPDVOV-YRGRVCCFSA-N 1 0 280.368 3.043 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000193347755 277661751 /nfs/dbraw/zinc/66/17/51/277661751.db2.gz LTCLOWFTGCFWIA-JGGQBBKZSA-N 1 0 290.363 3.129 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000449448299 278037511 /nfs/dbraw/zinc/03/75/11/278037511.db2.gz GSTRYCGDZOJUAT-LBPRGKRZSA-N 1 0 294.395 3.357 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330605968 278037734 /nfs/dbraw/zinc/03/77/34/278037734.db2.gz NAJYDWWWQLFXEE-OCCSQVGLSA-N 1 0 292.379 3.375 20 5 CGBDRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453252874 278333455 /nfs/dbraw/zinc/33/34/55/278333455.db2.gz ONCCGICCGORFET-CBZQXFMTSA-N 1 0 252.289 3.136 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)O ZINC000295112413 279275057 /nfs/dbraw/zinc/27/50/57/279275057.db2.gz VGAPYTHBXKGMNL-OLZOCXBDSA-N 1 0 294.395 3.055 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]2Cc2ccccc2)c1 ZINC000530994533 288322997 /nfs/dbraw/zinc/32/29/97/288322997.db2.gz RZBABCAZYUVQBN-MRXNPFEDSA-N 1 0 282.343 3.412 20 5 CGBDRO CC(C)N(Cc1c(F)cc([N+](=O)[O-])cc1F)CC1CC1 ZINC000551970603 289144519 /nfs/dbraw/zinc/14/45/19/289144519.db2.gz YHIBXXWDKFMZND-UHFFFAOYSA-N 1 0 284.306 3.493 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC1(C)C ZINC000555236196 289335020 /nfs/dbraw/zinc/33/50/20/289335020.db2.gz RXKCJWBQDNDVCY-RISCZKNCSA-N 1 0 294.420 3.400 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388272729 327864190 /nfs/dbraw/zinc/86/41/90/327864190.db2.gz HTWPLAYNZNKZMU-XFBWCDHKSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000388777311 328301546 /nfs/dbraw/zinc/30/15/46/328301546.db2.gz INLCDCCJJJPSMS-WFASDCNBSA-N 1 0 278.352 3.142 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000563542198 322002338 /nfs/dbraw/zinc/00/23/38/322002338.db2.gz ZDPZSJFJVNCCJZ-RCBQFDQVSA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCCS1 ZINC000565844489 322094170 /nfs/dbraw/zinc/09/41/70/322094170.db2.gz VVLUQBPKKCEHMH-SMDDNHRTSA-N 1 0 292.404 3.457 20 5 CGBDRO CCC[N@H+](Cc1cc([N+](=O)[O-])cc2c1OCOC2)C(C)C ZINC000566745686 322136757 /nfs/dbraw/zinc/13/67/57/322136757.db2.gz GVFKYCLFEYHXSF-UHFFFAOYSA-N 1 0 294.351 3.082 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H]1CCOC1 ZINC000570792174 322282156 /nfs/dbraw/zinc/28/21/56/322282156.db2.gz XWICMUIPQXDHCC-KGLIPLIRSA-N 1 0 292.379 3.371 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000571058328 322288678 /nfs/dbraw/zinc/28/86/78/322288678.db2.gz SZUQNPLFCWJJHD-QBKVNLCDSA-N 1 0 278.327 3.478 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCCC23CC3)cccc1[N+](=O)[O-] ZINC000571346024 322296416 /nfs/dbraw/zinc/29/64/16/322296416.db2.gz WOMZRNIZGKILBW-CQSZACIVSA-N 1 0 260.337 3.326 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@H]1CC=CCC1 ZINC000571806239 322308395 /nfs/dbraw/zinc/30/83/95/322308395.db2.gz NAFQMKGQUGZADW-AWEZNQCLSA-N 1 0 274.364 3.425 20 5 CGBDRO Cc1cc(N[C@H]2CC[C@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000574430642 322440164 /nfs/dbraw/zinc/44/01/64/322440164.db2.gz OAKUIMSSADMPAI-QWRGUYRKSA-N 1 0 289.310 3.176 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CC3(F)CC3)C2)cc1 ZINC000583064856 329309534 /nfs/dbraw/zinc/30/95/34/329309534.db2.gz UMQGIUSXDFXOBE-CYBMUJFWSA-N 1 0 278.327 3.276 20 5 CGBDRO Cc1ncc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000175986456 335226238 /nfs/dbraw/zinc/22/62/38/335226238.db2.gz REXYHEIHIUCLJU-UHFFFAOYSA-N 1 0 291.376 3.385 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000581201033 336024042 /nfs/dbraw/zinc/02/40/42/336024042.db2.gz WRSYYQUCCLQSOD-YWPYICTPSA-N 1 0 290.363 3.129 20 5 CGBDRO COc1cc(C[N@@H+]2CC(C)(C)C[C@H]2C)ccc1[N+](=O)[O-] ZINC000412041562 533797016 /nfs/dbraw/zinc/79/70/16/533797016.db2.gz LTCRUIFEOZFYLY-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC1(C)C ZINC000449322358 534254417 /nfs/dbraw/zinc/25/44/17/534254417.db2.gz XDQRXIQZBDGBMD-SMDDNHRTSA-N 1 0 262.353 3.304 20 5 CGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774311 519791114 /nfs/dbraw/zinc/79/11/14/519791114.db2.gz DEFQTFDMBHXXTF-SNVBAGLBSA-N 1 0 254.305 3.210 20 5 CGBDRO CC[NH+](CC)[C@H](CNc1ncccc1[N+](=O)[O-])CC(C)C ZINC000058604562 520867932 /nfs/dbraw/zinc/86/79/32/520867932.db2.gz LSEZREFIBKXGSU-ZDUSSCGKSA-N 1 0 294.399 3.158 20 5 CGBDRO CSCCC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440179 525480421 /nfs/dbraw/zinc/48/04/21/525480421.db2.gz UYDKOHJUIMZAEJ-UHFFFAOYSA-N 1 0 274.773 3.091 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]1(C)CCCO ZINC000290484681 525564259 /nfs/dbraw/zinc/56/42/59/525564259.db2.gz OFODYAPIFRDJAQ-INIZCTEOSA-N 1 0 292.379 3.030 20 5 CGBDRO CC(C)([NH2+]C[C@@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000411762175 527293342 /nfs/dbraw/zinc/29/33/42/527293342.db2.gz WPQFXNZMMZPTEQ-LBPRGKRZSA-N 1 0 292.379 3.377 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CCCN1C)c1cccc([N+](=O)[O-])c1 ZINC000154584434 528222955 /nfs/dbraw/zinc/22/29/55/528222955.db2.gz PIEKYCKDVJAROB-HOTGVXAUSA-N 1 0 291.395 3.120 20 5 CGBDRO CCOC(C)(C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000436418724 528429893 /nfs/dbraw/zinc/42/98/93/528429893.db2.gz WPQJEDRVUWYSIV-CLFYSBASSA-N 1 0 278.352 3.013 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@H]1CSc1ncccc1[N+](=O)[O-] ZINC000412997253 529005239 /nfs/dbraw/zinc/00/52/39/529005239.db2.gz WQTDLLQJSWYSSK-LBPRGKRZSA-N 1 0 295.408 3.345 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399992 529011723 /nfs/dbraw/zinc/01/17/23/529011723.db2.gz KUVLAQCISRSXML-HZPDHXFCSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[C@@H](NCC([NH3+])(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000423288067 529156163 /nfs/dbraw/zinc/15/61/63/529156163.db2.gz QIKZZZYYJMBNTG-CQSZACIVSA-N 1 0 279.384 3.153 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cncn1CC)c1cccc([N+](=O)[O-])c1 ZINC000417965415 529189186 /nfs/dbraw/zinc/18/91/86/529189186.db2.gz RMPBTFUQIVRNBN-OAHLLOKOSA-N 1 0 288.351 3.052 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738226089 572367960 /nfs/dbraw/zinc/36/79/60/572367960.db2.gz JYWKZGDHZXWQDU-GFCCVEGCSA-N 1 0 288.351 3.167 20 5 CGBDRO Cc1cccc(F)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000742379928 572571622 /nfs/dbraw/zinc/57/16/22/572571622.db2.gz CWIDKZCGMXRWHO-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746753928 572894997 /nfs/dbraw/zinc/89/49/97/572894997.db2.gz IVLHKEBPDGDVQS-DGCLKSJQSA-N 1 0 298.770 3.295 20 5 CGBDRO COc1ccc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000749925025 573061040 /nfs/dbraw/zinc/06/10/40/573061040.db2.gz UVLJGKNFCVTTOE-QWRGUYRKSA-N 1 0 278.352 3.128 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc(O)c(F)c2)cc1[N+](=O)[O-] ZINC000120481972 617698466 /nfs/dbraw/zinc/69/84/66/617698466.db2.gz IQHFWNWUAJKXGV-UHFFFAOYSA-N 1 0 290.294 3.038 20 5 CGBDRO CC[N@@H+]1CCC[C@@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000036461530 618109311 /nfs/dbraw/zinc/10/93/11/618109311.db2.gz XKACJKSIMZKMJY-LLVKDONJSA-N 1 0 283.759 3.144 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000069238124 618630667 /nfs/dbraw/zinc/63/06/67/618630667.db2.gz OAKMEGOWQQLOOO-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)nc1)c1ccc([N+](=O)[O-])cc1 ZINC000178647482 618661153 /nfs/dbraw/zinc/66/11/53/618661153.db2.gz KUHKJEVRRRFXDY-SNVBAGLBSA-N 1 0 291.738 3.494 20 5 CGBDRO COc1c(O)ccc(C[NH2+]C(C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000893145808 619005168 /nfs/dbraw/zinc/00/51/68/619005168.db2.gz HDGNTRRQEHDZNF-UHFFFAOYSA-N 1 0 296.367 3.079 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2csc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000053252042 619077113 /nfs/dbraw/zinc/07/71/13/619077113.db2.gz SNWPBJDYNTTYJJ-NSHDSACASA-N 1 0 289.360 3.185 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)NCc1cc([N+](=O)[O-])ccc1Cl ZINC000312738146 619134235 /nfs/dbraw/zinc/13/42/35/619134235.db2.gz ULJXWDSLZZEXAO-NSHDSACASA-N 1 0 299.802 3.067 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1ccccc1[N+](=O)[O-] ZINC000925689985 619137674 /nfs/dbraw/zinc/13/76/74/619137674.db2.gz CILMOUABBYONOA-WDEREUQCSA-N 1 0 287.319 3.107 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(F)CC1 ZINC000880243165 619623218 /nfs/dbraw/zinc/62/32/18/619623218.db2.gz DASSBTFGEKUEJJ-SNVBAGLBSA-N 1 0 252.289 3.090 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000897443717 620337492 /nfs/dbraw/zinc/33/74/92/620337492.db2.gz ZLMJMBDFTCISEN-UHFFFAOYSA-N 1 0 254.355 3.182 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000897464343 620340042 /nfs/dbraw/zinc/34/00/42/620340042.db2.gz LMYDXIIZUWDCMY-VIRABCJISA-N 1 0 274.364 3.477 20 5 CGBDRO C[C@H](C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000897461555 620340062 /nfs/dbraw/zinc/34/00/62/620340062.db2.gz RNPUYGOCMXSIRJ-YIYPIFLZSA-N 1 0 274.364 3.334 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000897464340 620340139 /nfs/dbraw/zinc/34/01/39/620340139.db2.gz LMYDXIIZUWDCMY-AYRXBEOTSA-N 1 0 274.364 3.477 20 5 CGBDRO Cc1coc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000897460545 620340142 /nfs/dbraw/zinc/34/01/42/620340142.db2.gz UFVZROMJIYHEJY-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465464 620340419 /nfs/dbraw/zinc/34/04/19/620340419.db2.gz WVHUQBMZFOGLOQ-VXGBXAGGSA-N 1 0 280.393 3.041 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000897794853 620432731 /nfs/dbraw/zinc/43/27/31/620432731.db2.gz ZWAVPBKBLYVRGK-ZDUSSCGKSA-N 1 0 294.420 3.401 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903084316 621564988 /nfs/dbraw/zinc/56/49/88/621564988.db2.gz XNPCFXHOVRPENZ-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H](C)CCSC)cc([N+](=O)[O-])c1 ZINC000903098454 621572075 /nfs/dbraw/zinc/57/20/75/621572075.db2.gz PDNZEKNISQTGPL-QWRGUYRKSA-N 1 0 298.408 3.396 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903152592 621598676 /nfs/dbraw/zinc/59/86/76/621598676.db2.gz GPDPEYQGILTCAZ-LLVKDONJSA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC[C@H](C)F)cc([N+](=O)[O-])c1 ZINC000903176926 621614008 /nfs/dbraw/zinc/61/40/08/621614008.db2.gz GNTFFVJOOMPJAM-VHSXEESVSA-N 1 0 270.304 3.002 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)F)cc([N+](=O)[O-])c1 ZINC000903209318 621630247 /nfs/dbraw/zinc/63/02/47/621630247.db2.gz KLDGABACEWJICN-VIFPVBQESA-N 1 0 270.304 3.002 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245143 621637016 /nfs/dbraw/zinc/63/70/16/621637016.db2.gz IULCKNUHDKAGRP-QWRGUYRKSA-N 1 0 288.351 3.081 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)c1ncco1)c1ccccc1[N+](=O)[O-] ZINC000903245866 621637900 /nfs/dbraw/zinc/63/79/00/621637900.db2.gz PJKBVLSIGJJPPH-WDEREUQCSA-N 1 0 275.308 3.037 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)C1(Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000903247152 621649820 /nfs/dbraw/zinc/64/98/20/621649820.db2.gz ZMSGMRXETYVXCY-WDEREUQCSA-N 1 0 282.771 3.448 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903287900 621670614 /nfs/dbraw/zinc/67/06/14/621670614.db2.gz SMBZKENOLRZJFC-DOMZBBRYSA-N 1 0 290.363 3.205 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287924 621670719 /nfs/dbraw/zinc/67/07/19/621670719.db2.gz TVTCAASRUZPYLS-NXEZZACHSA-N 1 0 274.324 3.038 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C/Cl ZINC000903443314 621754599 /nfs/dbraw/zinc/75/45/99/621754599.db2.gz FZEKQQLCWOKVEV-OSOUNJMWSA-N 1 0 272.707 3.007 20 5 CGBDRO Cc1cc(C[NH2+]CC[N+](=O)[O-])ccc1-c1ccccc1 ZINC000905217338 622050544 /nfs/dbraw/zinc/05/05/44/622050544.db2.gz JQAUUSNDGPDXQO-UHFFFAOYSA-N 1 0 270.332 3.028 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644270 622094403 /nfs/dbraw/zinc/09/44/03/622094403.db2.gz PDVLNCYJMRAUQR-UONOGXRCSA-N 1 0 294.395 3.085 20 5 CGBDRO C[NH+]1CCC(CCNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000229946897 623181256 /nfs/dbraw/zinc/18/12/56/623181256.db2.gz OTRTVWICPYYDFH-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1ncsc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231885357 623347905 /nfs/dbraw/zinc/34/79/05/623347905.db2.gz COHIVFOWWVLGCP-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO C[C@H]1Cc2cc(C[NH2+]Cc3ccc([N+](=O)[O-])cc3)ccc2O1 ZINC000921564827 625682526 /nfs/dbraw/zinc/68/25/26/625682526.db2.gz ZLCHPVVHEIJHSQ-LBPRGKRZSA-N 1 0 298.342 3.208 20 5 CGBDRO C[NH+](C)CC1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000917082683 624235426 /nfs/dbraw/zinc/23/54/26/624235426.db2.gz XYZGJRAQISTLSG-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000227826180 625843815 /nfs/dbraw/zinc/84/38/15/625843815.db2.gz MZODDVIKTHOIFY-QWHCGFSZSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1c(C[NH2+]Cc2cccc3c2OCC3)cccc1[N+](=O)[O-] ZINC000922048901 625966231 /nfs/dbraw/zinc/96/62/31/625966231.db2.gz QJEBFGZYMRKXPV-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1F ZINC000227401645 626079223 /nfs/dbraw/zinc/07/92/23/626079223.db2.gz LNZXNSDBKNTIAJ-TZMCWYRMSA-N 1 0 278.327 3.498 20 5 CGBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000922951745 626106787 /nfs/dbraw/zinc/10/67/87/626106787.db2.gz QZLULDQBBFQUDF-ZDUSSCGKSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@@]1([NH2+]Cc2cccc([N+](=O)[O-])c2)CCOc2ccccc21 ZINC000923026521 626121674 /nfs/dbraw/zinc/12/16/74/626121674.db2.gz UJSLHSBJYJPUNO-QGZVFWFLSA-N 1 0 298.342 3.382 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)CCC1 ZINC000839658059 626770999 /nfs/dbraw/zinc/77/09/99/626770999.db2.gz AOBDYIDCPLYSLF-JTQLQIEISA-N 1 0 298.770 3.295 20 5 CGBDRO CC[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC(C)(C)C1 ZINC000839663795 626772619 /nfs/dbraw/zinc/77/26/19/626772619.db2.gz KRHAZPUMTKCBJM-HNNXBMFYSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H](C(F)(F)F)C2)cccc1[N+](=O)[O-] ZINC000761050402 627011058 /nfs/dbraw/zinc/01/10/58/627011058.db2.gz JQLMCYHABKVCGX-NSHDSACASA-N 1 0 288.269 3.287 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000761523091 627048006 /nfs/dbraw/zinc/04/80/06/627048006.db2.gz RQBSEWNYXJZPAA-VIFPVBQESA-N 1 0 268.744 3.384 20 5 CGBDRO Cc1nn(C[N@@H+](C(C)C)C2CC2)c2ccc([N+](=O)[O-])cc12 ZINC000764881152 627231653 /nfs/dbraw/zinc/23/16/53/627231653.db2.gz SIZDTKBRWMYOQP-UHFFFAOYSA-N 1 0 288.351 3.083 20 5 CGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCCC1 ZINC000776575961 628219786 /nfs/dbraw/zinc/21/97/86/628219786.db2.gz XDMKXZCUCUEFCH-MRXNPFEDSA-N 1 0 292.379 3.140 20 5 CGBDRO CCC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776587547 628222038 /nfs/dbraw/zinc/22/20/38/628222038.db2.gz WIOCZDQEGZYBSJ-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788605523 629068672 /nfs/dbraw/zinc/06/86/72/629068672.db2.gz XTSYJZSNYAKWDX-MNOVXSKESA-N 1 0 265.357 3.120 20 5 CGBDRO C[C@@H]([NH2+]CCCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648147 629070732 /nfs/dbraw/zinc/07/07/32/629070732.db2.gz YABIWCWORYAHPY-SNVBAGLBSA-N 1 0 263.341 3.018 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788803568 629083507 /nfs/dbraw/zinc/08/35/07/629083507.db2.gz GNUUIDXWRBEUCG-IJLUTSLNSA-N 1 0 277.368 3.264 20 5 CGBDRO Cc1ccc(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)cc1C ZINC000809734343 630794625 /nfs/dbraw/zinc/79/46/25/630794625.db2.gz BHKYSZKFROEITO-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO C[C@@H]([NH2+]C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553459 631793711 /nfs/dbraw/zinc/79/37/11/631793711.db2.gz AVMBNDBFIMDKQE-SNVBAGLBSA-N 1 0 263.341 3.160 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606726 631805905 /nfs/dbraw/zinc/80/59/05/631805905.db2.gz FJDFSIIDMBZCLB-QZLRTXKQSA-N 1 0 289.379 3.406 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616962 631806988 /nfs/dbraw/zinc/80/69/88/631806988.db2.gz BNWKXXLLBSJYJO-SFYZADRCSA-N 1 0 291.273 3.169 20 5 CGBDRO [NH3+]CCCCCCCOc1cc(F)ccc1[N+](=O)[O-] ZINC000818617187 632341859 /nfs/dbraw/zinc/34/18/59/632341859.db2.gz CJVIAKQSXGJCEX-UHFFFAOYSA-N 1 0 270.304 3.022 20 5 CGBDRO CC(C)(C)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819093829 632378710 /nfs/dbraw/zinc/37/87/10/632378710.db2.gz ZINSYCXLKSKCMZ-AWEZNQCLSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC1CCC1 ZINC000866243616 633042484 /nfs/dbraw/zinc/04/24/84/633042484.db2.gz RXRJOYWKTPEDFC-JTQLQIEISA-N 1 0 266.316 3.055 20 5 CGBDRO CC(C)=CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866345965 633090951 /nfs/dbraw/zinc/09/09/51/633090951.db2.gz CVKZANWCFLTPLS-LLVKDONJSA-N 1 0 266.316 3.221 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCSC1 ZINC000866352269 633094653 /nfs/dbraw/zinc/09/46/53/633094653.db2.gz OXEVAHUQZDAAHO-QWRGUYRKSA-N 1 0 298.383 3.008 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CSC[C@H]1C ZINC000866360074 633099953 /nfs/dbraw/zinc/09/99/53/633099953.db2.gz XCSSFCZOLFJCKU-BREBYQMCSA-N 1 0 298.383 3.006 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CS[C@H](C)C1 ZINC000866372659 633108333 /nfs/dbraw/zinc/10/83/33/633108333.db2.gz IRWVXIJWIJFQLW-BREBYQMCSA-N 1 0 298.383 3.149 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@H]1CCCS1 ZINC000866481103 633153154 /nfs/dbraw/zinc/15/31/54/633153154.db2.gz OVQAXDXFWXRFFN-BXUZGUMPSA-N 1 0 292.404 3.457 20 5 CGBDRO Cc1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1[N+](=O)[O-] ZINC000866541351 633184009 /nfs/dbraw/zinc/18/40/09/633184009.db2.gz YUHNCQIPGMOTII-UHFFFAOYSA-N 1 0 284.306 3.081 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000866632810 633221766 /nfs/dbraw/zinc/22/17/66/633221766.db2.gz BXFPADMGPYAQPG-KFNAQCHYSA-N 1 0 292.379 3.111 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H](O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866636842 633225359 /nfs/dbraw/zinc/22/53/59/633225359.db2.gz QFXLQXSCCLNEJB-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO CO[C@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000825099100 633328757 /nfs/dbraw/zinc/32/87/57/633328757.db2.gz URCKBRDRDIEDKO-LKFCYVNXSA-N 1 0 298.770 3.151 20 5 CGBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000825099103 633328848 /nfs/dbraw/zinc/32/88/48/633328848.db2.gz URCKBRDRDIEDKO-YMTOWFKASA-N 1 0 298.770 3.151 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000825284612 633342425 /nfs/dbraw/zinc/34/24/25/633342425.db2.gz SOTLEYHUESRSMV-ZIAGYGMSSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CF)C1 ZINC000880299782 635969672 /nfs/dbraw/zinc/96/96/72/635969672.db2.gz XSYPUCAFHBIJDC-NWDGAFQWSA-N 1 0 266.316 3.256 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041945 633964262 /nfs/dbraw/zinc/96/42/62/633964262.db2.gz YAUQBVRSZSORMU-NXEZZACHSA-N 1 0 284.356 3.280 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042663 633965800 /nfs/dbraw/zinc/96/58/00/633965800.db2.gz CTNJGWFUAKWQTM-WDEREUQCSA-N 1 0 296.342 3.200 20 5 CGBDRO CCC(=O)CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000831539416 633973334 /nfs/dbraw/zinc/97/33/34/633973334.db2.gz RFJJGBGXYSUDFP-AWEZNQCLSA-N 1 0 290.363 3.143 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC=CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064112 633986746 /nfs/dbraw/zinc/98/67/46/633986746.db2.gz CAXCJIPFIMXCST-WDEREUQCSA-N 1 0 280.299 3.077 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H](C)O ZINC000872076803 634000287 /nfs/dbraw/zinc/00/02/87/634000287.db2.gz SPRIQNAREWVQRN-NRUUGDAUSA-N 1 0 298.408 3.127 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080168 634004397 /nfs/dbraw/zinc/00/43/97/634004397.db2.gz TUMQOIWCYLKPGS-BBBLOLIVSA-N 1 0 284.356 3.279 20 5 CGBDRO CSCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873054642 634238403 /nfs/dbraw/zinc/23/84/03/634238403.db2.gz RHFKAZSXAWBJJL-UHFFFAOYSA-N 1 0 268.382 3.054 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCCSC1 ZINC000873072102 634241722 /nfs/dbraw/zinc/24/17/22/634241722.db2.gz TUGAKRYSXJLUSV-GFCCVEGCSA-N 1 0 280.393 3.197 20 5 CGBDRO Cc1c(C[NH2+]CC(C)(C)[C@H](O)C(C)C)cccc1[N+](=O)[O-] ZINC000873094907 634245224 /nfs/dbraw/zinc/24/52/24/634245224.db2.gz IKGISWZENANJFG-OAHLLOKOSA-N 1 0 294.395 3.036 20 5 CGBDRO Cc1c(C[NH2+]CCC2CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000873129024 634251849 /nfs/dbraw/zinc/25/18/49/634251849.db2.gz FCNLCKRHQOWVHT-UHFFFAOYSA-N 1 0 284.306 3.428 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000873132175 634254017 /nfs/dbraw/zinc/25/40/17/634254017.db2.gz KHPWKJUAKSBQNJ-KGLIPLIRSA-N 1 0 292.379 3.259 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834910508 634284346 /nfs/dbraw/zinc/28/43/46/634284346.db2.gz HYSCLLSLHLRWTD-QLJPJBMISA-N 1 0 289.379 3.406 20 5 CGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCCC3CCCC3)C2)c1 ZINC000876880274 634918603 /nfs/dbraw/zinc/91/86/03/634918603.db2.gz SDPHMEDEDIWICR-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO CC1(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CCCC1 ZINC000877482816 635055090 /nfs/dbraw/zinc/05/50/90/635055090.db2.gz HKXMAOKRCUAQSJ-UHFFFAOYSA-N 1 0 292.383 3.009 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000877558100 635089444 /nfs/dbraw/zinc/08/94/44/635089444.db2.gz WLFAFYBVTQOTMR-TYNCELHUSA-N 1 0 280.368 3.307 20 5 CGBDRO CS[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877563289 635091771 /nfs/dbraw/zinc/09/17/71/635091771.db2.gz LGGWXAAEALIUJH-GFCCVEGCSA-N 1 0 280.393 3.149 20 5 CGBDRO COCC1(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000842730094 635451494 /nfs/dbraw/zinc/45/14/94/635451494.db2.gz UYIGQXDSTCFEHE-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CSC(C)(C)C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848532060 636592117 /nfs/dbraw/zinc/59/21/17/636592117.db2.gz XVNWAKLXPQIICJ-GFCCVEGCSA-N 1 0 280.393 3.313 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848784246 636657257 /nfs/dbraw/zinc/65/72/57/636657257.db2.gz VVWDESJEOPDSCV-TZMCWYRMSA-N 1 0 293.342 3.163 20 5 CGBDRO CCC(CC)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000134446430 637023230 /nfs/dbraw/zinc/02/32/30/637023230.db2.gz UGBXSKZRKFMKOG-UHFFFAOYSA-N 1 0 266.341 3.129 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)c1ccc[nH]1 ZINC000850449217 637070696 /nfs/dbraw/zinc/07/06/96/637070696.db2.gz RYYPIWPRJPBYJN-GHMZBOCLSA-N 1 0 289.335 3.343 20 5 CGBDRO C[C@H]1CCC[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956316 637331047 /nfs/dbraw/zinc/33/10/47/637331047.db2.gz NDIPHEYIHKWLTL-AAEUAGOBSA-N 1 0 263.341 3.000 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885969372 637337946 /nfs/dbraw/zinc/33/79/46/637337946.db2.gz QBMGEHFBLXNHEX-GDBMZVCRSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012619 637361388 /nfs/dbraw/zinc/36/13/88/637361388.db2.gz LHVUNJKERTWODJ-CZUORRHYSA-N 1 0 297.358 3.368 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC2(C1)CCCCC2 ZINC000886021388 637369060 /nfs/dbraw/zinc/36/90/60/637369060.db2.gz VHMMBXXKZJEMQP-UHFFFAOYSA-N 1 0 275.352 3.146 20 5 CGBDRO CC[C@@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886112391 637420373 /nfs/dbraw/zinc/42/03/73/637420373.db2.gz WWVRRRYACSFGMA-MRXNPFEDSA-N 1 0 285.347 3.405 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886834614 637712890 /nfs/dbraw/zinc/71/28/90/637712890.db2.gz AYCLVFYJPIILCT-XNRPHZJLSA-N 1 0 290.363 3.157 20 5 CGBDRO C[NH+](C)C1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853156132 637772985 /nfs/dbraw/zinc/77/29/85/637772985.db2.gz XMUCNEWKSGBMIS-UHFFFAOYSA-N 1 0 299.321 3.063 20 5 CGBDRO C[C@H](C[NH+](C)C)Nc1ccc2ccc3cccnc3c2n1 ZINC001155915297 805625070 /nfs/dbraw/zinc/62/50/70/805625070.db2.gz SBUBRXAIWRLVKI-GFCCVEGCSA-N 1 0 280.375 3.145 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC001159678803 806147966 /nfs/dbraw/zinc/14/79/66/806147966.db2.gz GYXLGAWBQZNHGY-UHFFFAOYSA-N 1 0 283.331 3.027 20 5 CGBDRO Cc1ccc(Nc2cccc3c2C[NH2+]C3)cc1[N+](=O)[O-] ZINC001159767197 806168352 /nfs/dbraw/zinc/16/83/52/806168352.db2.gz NSUIOJVLZIAKCV-UHFFFAOYSA-N 1 0 269.304 3.250 20 5 CGBDRO CC[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464494 806411222 /nfs/dbraw/zinc/41/12/22/806411222.db2.gz FIFSSZQKDGNZHX-CYBMUJFWSA-N 1 0 291.395 3.199 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])C(C)(C)C ZINC001254533086 806444360 /nfs/dbraw/zinc/44/43/60/806444360.db2.gz UXXLZBFKAPJWKZ-JTQLQIEISA-N 1 0 263.341 3.139 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC001254533094 806445036 /nfs/dbraw/zinc/44/50/36/806445036.db2.gz VAWORLPZVGSAMM-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001254560710 806451323 /nfs/dbraw/zinc/45/13/23/806451323.db2.gz WRULJSPMEQREJU-FZMZJTMJSA-N 1 0 296.317 3.257 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564835 806451880 /nfs/dbraw/zinc/45/18/80/806451880.db2.gz ATJQRESDNODFQL-XPKDYRNWSA-N 1 0 288.391 3.478 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576558 806454041 /nfs/dbraw/zinc/45/40/41/806454041.db2.gz XOJPVASHGLLVTC-GDBMZVCRSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@H]1c1ccccc1)C2 ZINC001254581730 806456156 /nfs/dbraw/zinc/45/61/56/806456156.db2.gz LTBJKLCOUDEEMK-SZMVWBNQSA-N 1 0 294.354 3.208 20 5 CGBDRO C[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254595983 806457259 /nfs/dbraw/zinc/45/72/59/806457259.db2.gz ASPJBHTVGXNUED-IIYDPXPESA-N 1 0 288.391 3.430 20 5 CGBDRO CCC(CC)[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603661 806459844 /nfs/dbraw/zinc/45/98/44/806459844.db2.gz PZCIUYBMRTYLQN-HNNXBMFYSA-N 1 0 262.353 3.182 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC(c3ccccc3)C1)C2 ZINC001254604723 806460034 /nfs/dbraw/zinc/46/00/34/806460034.db2.gz XFFTTYLCFXNPLH-GOSISDBHSA-N 1 0 294.354 3.161 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CC3(C1)CCCCC3)C2 ZINC001254608252 806460358 /nfs/dbraw/zinc/46/03/58/806460358.db2.gz PZHQXEQXYZUBNC-MRXNPFEDSA-N 1 0 286.375 3.328 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NC[C@H]2CCC[NH2+]C[C@@H]2C)c1F ZINC001162467686 806592349 /nfs/dbraw/zinc/59/23/49/806592349.db2.gz RTEJBCCPGYSGCX-NWDGAFQWSA-N 1 0 295.358 3.090 20 5 CGBDRO CCCN(CC[NH+](CC)CC)c1ccccc1[N+](=O)[O-] ZINC001163019508 806693715 /nfs/dbraw/zinc/69/37/15/806693715.db2.gz QIVDLKSAEKOAKB-UHFFFAOYSA-N 1 0 279.384 3.153 20 5 CGBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000111290732 798983384 /nfs/dbraw/zinc/98/33/84/798983384.db2.gz FLKLNKMOSDELRQ-UHFFFAOYSA-N 1 0 299.321 3.286 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@H](C)SC2)cc1[N+](=O)[O-] ZINC000689563371 799766010 /nfs/dbraw/zinc/76/60/10/799766010.db2.gz VJCCTPKOTFDWCZ-AAEUAGOBSA-N 1 0 280.393 3.277 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)C2(Cl)CC2)cccc1[N+](=O)[O-] ZINC000695641518 799831549 /nfs/dbraw/zinc/83/15/49/799831549.db2.gz XQIQBALUKWOEAS-JTQLQIEISA-N 1 0 268.744 3.153 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000704813968 799941258 /nfs/dbraw/zinc/94/12/58/799941258.db2.gz KAROLKXGELCDQX-VXGBXAGGSA-N 1 0 280.393 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1C=CCC1 ZINC000711685746 800069408 /nfs/dbraw/zinc/06/94/08/800069408.db2.gz MCYQNKQKQROPJG-JTQLQIEISA-N 1 0 266.728 3.304 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000715929190 800153640 /nfs/dbraw/zinc/15/36/40/800153640.db2.gz BUUHBRSMHQJTHS-NXEZZACHSA-N 1 0 277.349 3.463 20 5 CGBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC(F)(F)C1 ZINC000720900551 800270587 /nfs/dbraw/zinc/27/05/87/800270587.db2.gz NTNCSONLNNXMGI-UHFFFAOYSA-N 1 0 270.279 3.120 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCCO1 ZINC000847081594 800509061 /nfs/dbraw/zinc/50/90/61/800509061.db2.gz RNUMYRHPULLJOV-HIFRSBDPSA-N 1 0 296.342 3.171 20 5 CGBDRO CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c2ccccc21 ZINC001164128739 806898182 /nfs/dbraw/zinc/89/81/82/806898182.db2.gz GJUFDANCNSYMAB-UHFFFAOYSA-N 1 0 287.363 3.312 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC(C)(C)COC ZINC001166003070 807031235 /nfs/dbraw/zinc/03/12/35/807031235.db2.gz STQGHWPLDKTUDW-UHFFFAOYSA-N 1 0 265.421 3.120 20 5 CGBDRO Nc1[nH+]c2ccccc2n1-c1ccc([N+](=O)[O-])cc1Cl ZINC001248594571 804958733 /nfs/dbraw/zinc/95/87/33/804958733.db2.gz JWRCTOSROSVKSK-UHFFFAOYSA-N 1 0 288.694 3.169 20 5 CGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc3ccc4cccnc4c3n2)C1 ZINC001154976532 805516712 /nfs/dbraw/zinc/51/67/12/805516712.db2.gz LJOKTFNOFZLNNM-GJZGRUSLSA-N 1 0 292.386 3.465 20 5 CGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC001168423731 807410157 /nfs/dbraw/zinc/41/01/57/807410157.db2.gz PNZUMRQDCDILDW-ZDUSSCGKSA-N 1 0 292.379 3.342 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001168963639 807542992 /nfs/dbraw/zinc/54/29/92/807542992.db2.gz PHMBYICKHPEENE-CABZTGNLSA-N 1 0 286.734 3.014 20 5 CGBDRO Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168968049 807544272 /nfs/dbraw/zinc/54/42/72/807544272.db2.gz VEBIFARZKFUYSC-KCQAQPDRSA-N 1 0 262.353 3.091 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(C)c1 ZINC001168978335 807545689 /nfs/dbraw/zinc/54/56/89/807545689.db2.gz RFFVDCKDMMKSLG-NUEKZKHPSA-N 1 0 276.380 3.481 20 5 CGBDRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978776 807545832 /nfs/dbraw/zinc/54/58/32/807545832.db2.gz UDLMGARAMHJRTP-IHRRRGAJSA-N 1 0 256.390 3.380 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC001168978320 807546105 /nfs/dbraw/zinc/54/61/05/807546105.db2.gz RDAKSOKSONHFDZ-ZFWWWQNUSA-N 1 0 296.798 3.308 20 5 CGBDRO CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168985367 807547013 /nfs/dbraw/zinc/54/70/13/807547013.db2.gz DPNHDDPQTDYMMI-YCPHGPKFSA-N 1 0 291.395 3.204 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC001169010948 807551179 /nfs/dbraw/zinc/55/11/79/807551179.db2.gz GMVVBYNWNXQZQI-KGLIPLIRSA-N 1 0 266.385 3.088 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001169011982 807553041 /nfs/dbraw/zinc/55/30/41/807553041.db2.gz OGFWINLEZPWAGT-WQVCFCJDSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001169035742 807555838 /nfs/dbraw/zinc/55/58/38/807555838.db2.gz LNXHEVSQAHPFLL-DVOMOZLQSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)C1 ZINC001169029566 807556297 /nfs/dbraw/zinc/55/62/97/807556297.db2.gz UJMBSZGOSGSCQA-DJIMGWMZSA-N 1 0 288.391 3.311 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001169494461 807652442 /nfs/dbraw/zinc/65/24/42/807652442.db2.gz KMJUYJFWNJUGKV-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]CC2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170298281 807820184 /nfs/dbraw/zinc/82/01/84/807820184.db2.gz IGPXCPRARUPNNZ-CPCZMJQVSA-N 1 0 292.379 3.170 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@@H](F)C2)c([N+](=O)[O-])c1 ZINC001170298758 807820263 /nfs/dbraw/zinc/82/02/63/807820263.db2.gz NTGUIVNUJRLLAR-RTXFEEFZSA-N 1 0 296.342 3.015 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]CCC(C)C)c([N+](=O)[O-])c1 ZINC001170300224 807820838 /nfs/dbraw/zinc/82/08/38/807820838.db2.gz YOHDWUSSYACOHO-LBPRGKRZSA-N 1 0 280.368 3.170 20 5 CGBDRO COc1ccc(C[C@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170326877 807825716 /nfs/dbraw/zinc/82/57/16/807825716.db2.gz CBDMRPNNSGTLSE-ZDUSSCGKSA-N 1 0 292.379 3.410 20 5 CGBDRO CC1([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172897867 808474782 /nfs/dbraw/zinc/47/47/82/808474782.db2.gz CPUQVVDPCPTTQO-CQSZACIVSA-N 1 0 274.364 3.374 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC3(CC3)C1)CC2 ZINC001172902338 808475924 /nfs/dbraw/zinc/47/59/24/808475924.db2.gz ARDAMFPFQUBDFJ-HNNXBMFYSA-N 1 0 286.375 3.328 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173190013 808533623 /nfs/dbraw/zinc/53/36/23/808533623.db2.gz TYWXXDCSPWFPLW-GHMZBOCLSA-N 1 0 298.358 3.452 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1C=CCCC1 ZINC001173222904 808540280 /nfs/dbraw/zinc/54/02/80/808540280.db2.gz FZFFSRGMKZLJGW-JSGCOSHPSA-N 1 0 260.337 3.224 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173228779 808541224 /nfs/dbraw/zinc/54/12/24/808541224.db2.gz KIESYUUEXPSHAV-BJJXKVORSA-N 1 0 292.379 3.073 20 5 CGBDRO CC[N@H+](Cc1ccccn1)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173232896 808542435 /nfs/dbraw/zinc/54/24/35/808542435.db2.gz JBDYFUNSBKSNEO-AWEZNQCLSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CC1 ZINC001173232733 808542713 /nfs/dbraw/zinc/54/27/13/808542713.db2.gz HMFMYZSIORGQCH-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H](C)CC12CC2 ZINC001173233230 808543265 /nfs/dbraw/zinc/54/32/65/808543265.db2.gz UUHPPNAKJIJWEK-OLZOCXBDSA-N 1 0 274.364 3.400 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2cccc(F)c2F)c1 ZINC001177840778 809826301 /nfs/dbraw/zinc/82/63/01/809826301.db2.gz YWDDYJFEAGXJEC-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO C=C/C=C/CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001179472867 809923383 /nfs/dbraw/zinc/92/33/83/809923383.db2.gz BORSFLGEEQHNBZ-AATRIKPKSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC001183345202 810145924 /nfs/dbraw/zinc/14/59/24/810145924.db2.gz GFFWNTNPZZMCKX-UONOGXRCSA-N 1 0 262.353 3.427 20 5 CGBDRO Cc1cc(NCCC[NH+]2CCC(C)CC2)c([N+](=O)[O-])s1 ZINC001184644267 810213481 /nfs/dbraw/zinc/21/34/81/810213481.db2.gz KPBUDVGVOAIAOL-UHFFFAOYSA-N 1 0 297.424 3.499 20 5 CGBDRO CCCCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC001198543812 811512840 /nfs/dbraw/zinc/51/28/40/811512840.db2.gz XOESHCWHSKPNHJ-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO CN(C)c1cc[nH+]cc1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001215287416 815503597 /nfs/dbraw/zinc/50/35/97/815503597.db2.gz NSWDBTNYPAFNQA-UHFFFAOYSA-N 1 0 294.261 3.078 20 5 CGBDRO CC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC1CC1 ZINC001204922807 812776561 /nfs/dbraw/zinc/77/65/61/812776561.db2.gz DSPVTWFIVNOMKE-UHFFFAOYSA-N 1 0 262.353 3.444 20 5 CGBDRO C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218004364 816046424 /nfs/dbraw/zinc/04/64/24/816046424.db2.gz FMCDKMYNWZFHJF-SECBINFHSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218113703 816101519 /nfs/dbraw/zinc/10/15/19/816101519.db2.gz CWLOTZZQQFVSJR-RISCZKNCSA-N 1 0 296.754 3.078 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218117656 816104827 /nfs/dbraw/zinc/10/48/27/816104827.db2.gz TYQDPYTZCILECD-DOTOQJQBSA-N 1 0 298.342 3.269 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001218183120 816118288 /nfs/dbraw/zinc/11/82/88/816118288.db2.gz UFYDQYFPFAPORF-AWEZNQCLSA-N 1 0 284.315 3.003 20 5 CGBDRO C[C@H](Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1)C1C[NH2+]C1 ZINC001218198585 816124310 /nfs/dbraw/zinc/12/43/10/816124310.db2.gz NJVGYZRXLSHROG-LBPRGKRZSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC001218400510 816193596 /nfs/dbraw/zinc/19/35/96/816193596.db2.gz VICGWMIWJOOCFD-NXEZZACHSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc(O[C@@H]2C[NH2+]Cc3ccccc32)ccc1[N+](=O)[O-] ZINC001218485246 816240196 /nfs/dbraw/zinc/24/01/96/816240196.db2.gz FZIZXQJMSSLMTA-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(-c2ccccn2)cc1 ZINC001223754558 816676376 /nfs/dbraw/zinc/67/63/76/816676376.db2.gz XOWVNWDRFIZNGQ-OAHLLOKOSA-N 1 0 285.411 3.360 20 5 CGBDRO C[N+](C)(C)CCCO[C@H](c1ccccc1)C1CCOCC1 ZINC001224623757 816834895 /nfs/dbraw/zinc/83/48/95/816834895.db2.gz QKSZRFYYWJLZED-GOSISDBHSA-N 1 0 292.443 3.267 20 5 CGBDRO Cc1ccc(COCC[N+](C)(C)C)c(OC(C)C)c1 ZINC001224773593 816877857 /nfs/dbraw/zinc/87/78/57/816877857.db2.gz KJONKLPLDPCEQK-UHFFFAOYSA-N 1 0 266.405 3.005 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001225908214 817213296 /nfs/dbraw/zinc/21/32/96/817213296.db2.gz YXZMFHBQAHEVNA-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC001226764847 817458007 /nfs/dbraw/zinc/45/80/07/817458007.db2.gz MQFCZMIUNORGJX-QGZVFWFLSA-N 1 0 298.342 3.248 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(F)c1Br ZINC001227013917 817534756 /nfs/dbraw/zinc/53/47/56/817534756.db2.gz NPEQSHRFLGDRFX-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO COc1ccc(O[C@H](C)C[N+](C)(C)C)cc1C(F)(F)F ZINC001227899979 817748078 /nfs/dbraw/zinc/74/80/78/817748078.db2.gz RHOKCJVDZDJRPA-SNVBAGLBSA-N 1 0 292.321 3.188 20 5 CGBDRO C[NH+](C)C1CCC(Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001227999580 817778288 /nfs/dbraw/zinc/77/82/88/817778288.db2.gz AXCGECZNAHDMAD-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO CC[NH+]1CCC(Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228256487 817852615 /nfs/dbraw/zinc/85/26/15/817852615.db2.gz XVRZUMFJMCTZBX-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO COc1cccc2c(O[C@H](C)C[N+](C)(C)C)cc(C)nc12 ZINC001228501864 817923995 /nfs/dbraw/zinc/92/39/95/817923995.db2.gz SXRHTQLUOQUSED-CYBMUJFWSA-N 1 0 289.399 3.025 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2c(Cl)cccc2c1 ZINC001231157380 818047260 /nfs/dbraw/zinc/04/72/60/818047260.db2.gz CVBQKBZSYQLZKM-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CCCC3)nc12 ZINC001232218981 818282160 /nfs/dbraw/zinc/28/21/60/818282160.db2.gz JPBUBYRZSVAWHW-UHFFFAOYSA-N 1 0 263.344 3.379 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(C[NH+]3CCSCC3)nc12 ZINC001232220653 818283281 /nfs/dbraw/zinc/28/32/81/818283281.db2.gz RLHKOGOYXZFZMK-UHFFFAOYSA-N 1 0 295.411 3.332 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccnc(Cl)c2c1 ZINC001233863901 818719098 /nfs/dbraw/zinc/71/90/98/818719098.db2.gz NHRWZENSLSMSCB-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC001346724539 936858329 /nfs/dbraw/zinc/85/83/29/936858329.db2.gz AMKYYPYQPICLRH-CBZQXFMTSA-N 1 0 282.290 3.433 20 5 CGBDRO COc1ccc(CNC(C)(C)c2ccccc2[N+](=O)[O-])o1 ZINC001352751997 937048536 /nfs/dbraw/zinc/04/85/36/937048536.db2.gz YPHRUCMFWNYAGJ-UHFFFAOYSA-N 1 0 290.319 3.221 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2ccc(Cl)cc2s1 ZINC001228928869 927310288 /nfs/dbraw/zinc/31/02/88/927310288.db2.gz BZBBUPVGPOTAKQ-SECBINFHSA-N 1 0 285.820 3.423 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC001458129010 937452131 /nfs/dbraw/zinc/45/21/31/937452131.db2.gz VBBBHCWXIFNTQS-MNOVXSKESA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229470961 932157480 /nfs/dbraw/zinc/15/74/80/932157480.db2.gz XGEOOHQMYIKABL-HDJSIYSDSA-N 1 0 292.379 3.463 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001229961806 932511371 /nfs/dbraw/zinc/51/13/71/932511371.db2.gz BAAJMASKOZXKCT-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001230626436 932600442 /nfs/dbraw/zinc/60/04/42/932600442.db2.gz JKENOFBZZLWIIG-GFCCVEGCSA-N 1 0 289.355 3.222 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C)c([N+](=O)[O-])cc2C)C1 ZINC001230724069 932614791 /nfs/dbraw/zinc/61/47/91/932614791.db2.gz RGMHOJCHLOFVFO-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO C[Si](C)(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC001307648797 932980084 /nfs/dbraw/zinc/98/00/84/932980084.db2.gz SUNBENZBPHXKRG-UHFFFAOYSA-N 1 0 278.428 3.437 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001307682112 932984786 /nfs/dbraw/zinc/98/47/86/932984786.db2.gz GIPUCPVTRPWJKD-FZMZJTMJSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1cc(NCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])s1 ZINC001472639003 937779006 /nfs/dbraw/zinc/77/90/06/937779006.db2.gz ZZLNMOAEHDLLFG-UHFFFAOYSA-N 1 0 285.413 3.495 20 5 CGBDRO CC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)(C)C ZINC001327951725 935102180 /nfs/dbraw/zinc/10/21/80/935102180.db2.gz JYCQZTAVUYPPGZ-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO CCC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001559632891 938231423 /nfs/dbraw/zinc/23/14/23/938231423.db2.gz RGSWWEZUBYZYQN-CQSZACIVSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2c(c1)OC(C)(C)[C@H]2C ZINC001225500989 960406486 /nfs/dbraw/zinc/40/64/86/960406486.db2.gz STORVLRLMJLFRE-STQMWFEESA-N 1 0 278.416 3.435 20 5 CGBDRO CC(C)[NH2+]CCCNCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC001575731150 962408992 /nfs/dbraw/zinc/40/89/92/962408992.db2.gz UGMYOQLFKJEIFN-UHFFFAOYSA-N 1 0 293.411 3.196 20 5 CGBDRO Cc1cnc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000124389063 187135640 /nfs/dbraw/zinc/13/56/40/187135640.db2.gz ANXYVYPLFKQGEM-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@H+](Cc2cccnc2)C2CC2)cc1 ZINC000124744150 187151542 /nfs/dbraw/zinc/15/15/42/187151542.db2.gz VOKIPTZLHYCQHL-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO Cc1ccc(CN(C)Cc2cccc([N+](=O)[O-])c2C)nc1 ZINC000590754645 346871466 /nfs/dbraw/zinc/87/14/66/346871466.db2.gz MLGUGLWMLBRSDZ-UHFFFAOYSA-N 1 0 285.347 3.239 20 5 CGBDRO CC[C@H](F)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000440603205 529438362 /nfs/dbraw/zinc/43/83/62/529438362.db2.gz YEIZVRXRYBCTDJ-AAEUAGOBSA-N 1 0 254.305 3.384 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414212962 529473456 /nfs/dbraw/zinc/47/34/56/529473456.db2.gz QMLPVERRMIPKPG-KYOSRNDESA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@@H](C)CCSC)cc1[N+](=O)[O-] ZINC000126478849 187242722 /nfs/dbraw/zinc/24/27/22/187242722.db2.gz CORMVNTXIKDIMX-NSHDSACASA-N 1 0 298.408 3.177 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(C3CCC3)CC2)cc1 ZINC000593082446 347037306 /nfs/dbraw/zinc/03/73/06/347037306.db2.gz WBOAZQXXDUPNLU-UHFFFAOYSA-N 1 0 260.337 3.060 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593183523 347048699 /nfs/dbraw/zinc/04/86/99/347048699.db2.gz ZZOQOAXEARACMC-VXGBXAGGSA-N 1 0 278.352 3.061 20 5 CGBDRO CCCC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000054174676 345130500 /nfs/dbraw/zinc/13/05/00/345130500.db2.gz IKUSKXAGYWVESW-UHFFFAOYSA-N 1 0 254.355 3.421 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000063738991 345252808 /nfs/dbraw/zinc/25/28/08/345252808.db2.gz LAZOILOXDZFPPB-CYBMUJFWSA-N 1 0 277.368 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCCC2)c(F)c1 ZINC000075667368 345518226 /nfs/dbraw/zinc/51/82/26/345518226.db2.gz AERIPIVPVAKTPH-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000078562471 345612831 /nfs/dbraw/zinc/61/28/31/345612831.db2.gz UCRJCUYMYPABNS-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])cn1 ZINC000079926338 345659456 /nfs/dbraw/zinc/65/94/56/345659456.db2.gz MUISNFNCAGPSLX-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO Cc1ccc(NC[C@H](c2ccco2)[NH+](C)C)c([N+](=O)[O-])c1 ZINC000080532771 345678152 /nfs/dbraw/zinc/67/81/52/345678152.db2.gz AWHDHOREQDJTJL-CQSZACIVSA-N 1 0 289.335 3.211 20 5 CGBDRO CC[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091484519 345816386 /nfs/dbraw/zinc/81/63/86/345816386.db2.gz HLLIAXJLQXOKHD-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO CC(C)[C@H](O)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090810020 345794813 /nfs/dbraw/zinc/79/48/13/345794813.db2.gz SYKPTYHBSMKNAG-WFASDCNBSA-N 1 0 294.395 3.289 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH+]2CCc3ccccc3CC2)cs1 ZINC000116299546 345976791 /nfs/dbraw/zinc/97/67/91/345976791.db2.gz SJZNDHFJQDMQOH-UHFFFAOYSA-N 1 0 288.372 3.257 20 5 CGBDRO CCC[C@H]([NH2+]CCCF)c1cccc([N+](=O)[O-])c1 ZINC000127002439 346028322 /nfs/dbraw/zinc/02/83/22/346028322.db2.gz CLBOUXDNQUKKEJ-ZDUSSCGKSA-N 1 0 254.305 3.385 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCC(F)(F)F)cc1 ZINC000133748944 346078425 /nfs/dbraw/zinc/07/84/25/346078425.db2.gz PICYRQAHUUOUJC-UHFFFAOYSA-N 1 0 276.258 3.069 20 5 CGBDRO C[C@H]([NH2+]CC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000135365322 346087608 /nfs/dbraw/zinc/08/76/08/346087608.db2.gz ZURKMQMQHRADEO-NSHDSACASA-N 1 0 280.393 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000142162980 346110656 /nfs/dbraw/zinc/11/06/56/346110656.db2.gz RJOYWHGPTBBKQG-MRXNPFEDSA-N 1 0 283.331 3.327 20 5 CGBDRO C[C@H]([N@H+](C)CCc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000177252871 232359899 /nfs/dbraw/zinc/35/98/99/232359899.db2.gz LJECJPRKKVHCCV-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCS[C@@H]2C)cc1[N+](=O)[O-] ZINC000311902913 346475393 /nfs/dbraw/zinc/47/53/93/346475393.db2.gz QCZLOAHRFICRFH-DMDPSCGWSA-N 1 0 280.393 3.448 20 5 CGBDRO CC[NH+]1CCC(CNc2cc(C)c([N+](=O)[O-])cc2F)CC1 ZINC000314764655 346482582 /nfs/dbraw/zinc/48/25/82/346482582.db2.gz SLCMXZRYLQHKAD-UHFFFAOYSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1CC2(CCC2)C1 ZINC000593687572 347103993 /nfs/dbraw/zinc/10/39/93/347103993.db2.gz IRYBNOJLHBHUGL-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)COCC2CC2)cccc1[N+](=O)[O-] ZINC000593719764 347107755 /nfs/dbraw/zinc/10/77/55/347107755.db2.gz QZSFRHPWCRQHSK-DGCLKSJQSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1cc(N2CCC3(CC3)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000589599703 346801909 /nfs/dbraw/zinc/80/19/09/346801909.db2.gz GSKFPOXXVYBNQK-UHFFFAOYSA-N 1 0 283.331 3.442 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594041550 347143577 /nfs/dbraw/zinc/14/35/77/347143577.db2.gz FNIYXUMDOZTGGA-ZBFHGGJFSA-N 1 0 292.379 3.341 20 5 CGBDRO COc1c(C)cccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594522774 347189650 /nfs/dbraw/zinc/18/96/50/347189650.db2.gz SSCTZUQBOBBAMD-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccncc1 ZINC000594496654 347178206 /nfs/dbraw/zinc/17/82/06/347178206.db2.gz QGVUOXBOXJUDIA-MLGOLLRUSA-N 1 0 297.358 3.370 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC[C@H](C)SC2)cccc1[N+](=O)[O-] ZINC000594499788 347180283 /nfs/dbraw/zinc/18/02/83/347180283.db2.gz JVAYWMSCFUEZCT-GWCFXTLKSA-N 1 0 280.393 3.277 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCc1ccco1 ZINC000594997471 347251817 /nfs/dbraw/zinc/25/18/17/347251817.db2.gz MTMAWKPHRCCNOW-UHFFFAOYSA-N 1 0 274.320 3.219 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000594995581 347252261 /nfs/dbraw/zinc/25/22/61/347252261.db2.gz SGOVRKXBVMLZGN-MRXNPFEDSA-N 1 0 292.379 3.198 20 5 CGBDRO COCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000594952022 347239135 /nfs/dbraw/zinc/23/91/35/347239135.db2.gz PJAZLNQVIQQZKU-VURMDHGXSA-N 1 0 290.363 3.157 20 5 CGBDRO COC1CC(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000594959363 347241049 /nfs/dbraw/zinc/24/10/49/347241049.db2.gz CTCQDDDJRISZDY-XQRVVYSFSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000594969923 347245241 /nfs/dbraw/zinc/24/52/41/347245241.db2.gz UAGCYQQRKCWXPJ-YVEFUNNKSA-N 1 0 282.343 3.413 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cs1 ZINC000594975382 347246907 /nfs/dbraw/zinc/24/69/07/347246907.db2.gz TXVSZJXDIGUHJR-WOPDTQHZSA-N 1 0 266.366 3.182 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595346448 347295205 /nfs/dbraw/zinc/29/52/05/347295205.db2.gz WIPZPUFERJETAF-CQSZACIVSA-N 1 0 266.316 3.356 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595386383 347297807 /nfs/dbraw/zinc/29/78/07/347297807.db2.gz DZFSNWZIQLXMGG-ZDUSSCGKSA-N 1 0 298.383 3.451 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595419041 347300175 /nfs/dbraw/zinc/30/01/75/347300175.db2.gz WNQUFTBHKDPBRZ-VHSXEESVSA-N 1 0 254.305 3.258 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1ccoc1 ZINC000595087693 347280489 /nfs/dbraw/zinc/28/04/89/347280489.db2.gz ODZOVVBOVNMXMR-NSHDSACASA-N 1 0 290.319 3.090 20 5 CGBDRO Cc1noc(C[NH2+][C@H](C)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595419930 347300824 /nfs/dbraw/zinc/30/08/24/347300824.db2.gz AXCTYWDKVAOVRW-GHMZBOCLSA-N 1 0 289.335 3.173 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000595422138 347300832 /nfs/dbraw/zinc/30/08/32/347300832.db2.gz GMWIPLHOUTVTIW-AWEZNQCLSA-N 1 0 296.342 3.029 20 5 CGBDRO CC[C@H](C)[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595602904 347324982 /nfs/dbraw/zinc/32/49/82/347324982.db2.gz YAMQEJTZAUUZMB-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO Cc1noc(C[NH+]2CCC(C)(C(C)C)CC2)c1[N+](=O)[O-] ZINC000595444976 347304502 /nfs/dbraw/zinc/30/45/02/347304502.db2.gz IFJYCUBCZIULMA-UHFFFAOYSA-N 1 0 281.356 3.149 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000595483616 347309894 /nfs/dbraw/zinc/30/98/94/347309894.db2.gz XEYZROMQBMXNDH-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO Cc1noc(C[N@@H+](C(C)C)C2CC(C)(C)C2)c1[N+](=O)[O-] ZINC000595523299 347315121 /nfs/dbraw/zinc/31/51/21/347315121.db2.gz QUQUYZFTEOSKAK-UHFFFAOYSA-N 1 0 281.356 3.290 20 5 CGBDRO O=[N+]([O-])c1ccc(CN2C[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000595567594 347320525 /nfs/dbraw/zinc/32/05/25/347320525.db2.gz UMEHSGIJPFGTNV-FZMZJTMJSA-N 1 0 264.300 3.108 20 5 CGBDRO CCCCC[C@H]1CCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000595870858 347368797 /nfs/dbraw/zinc/36/87/97/347368797.db2.gz KKXYSAGALRCLAA-AWEZNQCLSA-N 1 0 294.399 3.226 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000597159694 347542707 /nfs/dbraw/zinc/54/27/07/347542707.db2.gz QLCIUSPQNFZZNJ-PYMSSDGJSA-N 1 0 272.348 3.482 20 5 CGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000598995090 347704798 /nfs/dbraw/zinc/70/47/98/347704798.db2.gz PCQBTCKSDNKXIL-CQSZACIVSA-N 1 0 298.408 3.077 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CCC(C)C)cccc1[N+](=O)[O-] ZINC000599068056 347713400 /nfs/dbraw/zinc/71/34/00/347713400.db2.gz KGQWAHJNWWMLTL-ZIAGYGMSSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CCC(C)C ZINC000599070247 347713773 /nfs/dbraw/zinc/71/37/73/347713773.db2.gz XQEKUBLATIZGKU-KGLIPLIRSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1c2ccncc2ccc1N1CC[C@@H](C(F)F)C1 ZINC000599074082 347714450 /nfs/dbraw/zinc/71/44/50/347714450.db2.gz KVRGEGLQPGPBQC-SNVBAGLBSA-N 1 0 293.273 3.234 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599164043 347722635 /nfs/dbraw/zinc/72/26/35/347722635.db2.gz IPMLQVHNSTYQIH-GFCCVEGCSA-N 1 0 293.342 3.163 20 5 CGBDRO CCO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599351196 347738052 /nfs/dbraw/zinc/73/80/52/347738052.db2.gz YYKHUXQXXBDACV-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1Cc2ccc(O)cc2C1 ZINC000599537078 347752878 /nfs/dbraw/zinc/75/28/78/347752878.db2.gz YQIWQBWATTVTBS-LLVKDONJSA-N 1 0 284.315 3.377 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc([C@@H]3CC[NH2+]C3)c2)cc1 ZINC000600784566 347835101 /nfs/dbraw/zinc/83/51/01/347835101.db2.gz MLNHAOGDJXIQBD-OAHLLOKOSA-N 1 0 268.316 3.339 20 5 CGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783676 348028255 /nfs/dbraw/zinc/02/82/55/348028255.db2.gz KEASKYDCLNMIQE-TZMCWYRMSA-N 1 0 294.399 3.000 20 5 CGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602637568 347998365 /nfs/dbraw/zinc/99/83/65/347998365.db2.gz FRMORTZPLWHNAX-QWRGUYRKSA-N 1 0 289.335 3.262 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[C@@H]4C[C@@H]4C3)nc2c1 ZINC000602704408 348013679 /nfs/dbraw/zinc/01/36/79/348013679.db2.gz WWJINGOAZFWDES-GMTAPVOTSA-N 1 0 287.319 3.014 20 5 CGBDRO Cn1cc(C[NH2+][C@H]2CCCC[C@@H]2C(C)(C)C)c([N+](=O)[O-])n1 ZINC000602787206 348029629 /nfs/dbraw/zinc/02/96/29/348029629.db2.gz IUHDXESCNSHKLG-STQMWFEESA-N 1 0 294.399 3.023 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCCC34CC4)nc2c1 ZINC000602728744 348019186 /nfs/dbraw/zinc/01/91/86/348019186.db2.gz MULQNXJBBCXGFK-ZDUSSCGKSA-N 1 0 287.319 3.158 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610517703 348387425 /nfs/dbraw/zinc/38/74/25/348387425.db2.gz HTIJDABEVDJIAA-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581071 348391094 /nfs/dbraw/zinc/39/10/94/348391094.db2.gz GGZOGEUOQWPLLJ-SNVBAGLBSA-N 1 0 277.324 3.212 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580943 348391285 /nfs/dbraw/zinc/39/12/85/348391285.db2.gz JXGNCKCMQUCCIB-CYBMUJFWSA-N 1 0 289.335 3.356 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000610717422 348399144 /nfs/dbraw/zinc/39/91/44/348399144.db2.gz KUICNHCXESGOJE-OAHLLOKOSA-N 1 0 292.379 3.280 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611293113 348436190 /nfs/dbraw/zinc/43/61/90/348436190.db2.gz LRKSXZPBZPDGCX-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000611180546 348427232 /nfs/dbraw/zinc/42/72/32/348427232.db2.gz ZEQQMEYLPLZGFA-NXEZZACHSA-N 1 0 270.279 3.243 20 5 CGBDRO COc1cc(C[N@H+](CC(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000351971829 219271370 /nfs/dbraw/zinc/27/13/70/219271370.db2.gz XKHQNJHDFFNFJK-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2(CCO)CCC2)cc1[N+](=O)[O-] ZINC000358293053 233100862 /nfs/dbraw/zinc/10/08/62/233100862.db2.gz IBBGTFVPJPVCCP-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)COC2 ZINC000271548809 191205922 /nfs/dbraw/zinc/20/59/22/191205922.db2.gz ZRCGSWXZUFLPFP-LBPRGKRZSA-N 1 0 298.342 3.476 20 5 CGBDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155181932 188188672 /nfs/dbraw/zinc/18/86/72/188188672.db2.gz WUXBBUNQVJKGNB-LLVKDONJSA-N 1 0 260.337 3.436 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000414342468 235392216 /nfs/dbraw/zinc/39/22/16/235392216.db2.gz PRYYDFUKRPXUIB-LERXQTSPSA-N 1 0 272.304 3.395 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000414515291 235423506 /nfs/dbraw/zinc/42/35/06/235423506.db2.gz NBUUYALUEVOSAN-KZYWRJBESA-N 1 0 290.363 3.011 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC[C@H](C)F)cccc1[N+](=O)[O-] ZINC000340466684 215591870 /nfs/dbraw/zinc/59/18/70/215591870.db2.gz DRWKEZVTBPSXPR-GXSJLCMTSA-N 1 0 254.305 3.302 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CC34CC4)o2)c1 ZINC000424185946 236130746 /nfs/dbraw/zinc/13/07/46/236130746.db2.gz RKWJFANEDAPDJC-OAHLLOKOSA-N 1 0 284.315 3.497 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000424333572 236152164 /nfs/dbraw/zinc/15/21/64/236152164.db2.gz UOENHMCXTRXNQO-NZVBXONLSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000247057966 138542142 /nfs/dbraw/zinc/54/21/42/138542142.db2.gz XHHBNFSHZJVWMJ-CJYSPXJISA-N 1 0 290.363 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1 ZINC000426475298 236298141 /nfs/dbraw/zinc/29/81/41/236298141.db2.gz XVOKPRMQMJNIMA-BBRMVZONSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](C2CCC2)CC1 ZINC000296138016 199795415 /nfs/dbraw/zinc/79/54/15/199795415.db2.gz XBAPOSQFIZTRNE-UHFFFAOYSA-N 1 0 275.352 3.024 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297414724 200181879 /nfs/dbraw/zinc/18/18/79/200181879.db2.gz UGDVQSGHWUHFBL-XJKSGUPXSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000298203808 200359068 /nfs/dbraw/zinc/35/90/68/200359068.db2.gz CPSPEOMYIJFSJJ-UHFFFAOYSA-N 1 0 292.379 3.294 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341886978 216140178 /nfs/dbraw/zinc/14/01/78/216140178.db2.gz YOSHUOGUYKMXLS-VNQPRFMTSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000178475560 189119296 /nfs/dbraw/zinc/11/92/96/189119296.db2.gz ZIYQPWOBQNXZLF-LLVKDONJSA-N 1 0 260.293 3.347 20 5 CGBDRO Cc1c(C[N@@H+]2CCCCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000342069207 216207481 /nfs/dbraw/zinc/20/74/81/216207481.db2.gz QTNZXIJAMCYWPH-OAHLLOKOSA-N 1 0 292.379 3.030 20 5 CGBDRO Cc1ncsc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180454574 189256290 /nfs/dbraw/zinc/25/62/90/189256290.db2.gz YLYDNHSGRPNCGX-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000301121010 200920352 /nfs/dbraw/zinc/92/03/52/200920352.db2.gz XUCHJVZGVCQVIE-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000301524622 201046767 /nfs/dbraw/zinc/04/67/67/201046767.db2.gz HCRCLVXMCQPJHZ-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCOCC1 ZINC000182394649 189322026 /nfs/dbraw/zinc/32/20/26/189322026.db2.gz KKEJXFKBOWWNJB-UHFFFAOYSA-N 1 0 298.770 3.107 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000301547822 201062784 /nfs/dbraw/zinc/06/27/84/201062784.db2.gz POCOXQLYYFZXIF-CQSZACIVSA-N 1 0 277.368 3.190 20 5 CGBDRO CC[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000353123557 219902259 /nfs/dbraw/zinc/90/22/59/219902259.db2.gz QDKBKFCGTRARLE-CYBMUJFWSA-N 1 0 280.368 3.233 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000302008082 201296691 /nfs/dbraw/zinc/29/66/91/201296691.db2.gz WTQQQLXESXVDKA-CQSZACIVSA-N 1 0 291.395 3.375 20 5 CGBDRO C[C@@H]1CSC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449168261 239215739 /nfs/dbraw/zinc/21/57/39/239215739.db2.gz CYICFJDEEKNNQN-IUODEOHRSA-N 1 0 294.420 3.259 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000453370989 240884309 /nfs/dbraw/zinc/88/43/09/240884309.db2.gz RMLMIJXAACROSI-GFCCVEGCSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453428234 240936551 /nfs/dbraw/zinc/93/65/51/240936551.db2.gz PQBGOULDWNCFMV-OLZOCXBDSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC1(C)C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000459628556 242152894 /nfs/dbraw/zinc/15/28/94/242152894.db2.gz CYVFZMCUGLMBCR-VURMDHGXSA-N 1 0 260.337 3.340 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000459631678 242154786 /nfs/dbraw/zinc/15/47/86/242154786.db2.gz KDQCSXDJQPBIRK-AEGPPILISA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])nc1C ZINC000459656525 242165771 /nfs/dbraw/zinc/16/57/71/242165771.db2.gz BBWMMKOKOXFWFD-ZDUSSCGKSA-N 1 0 299.374 3.327 20 5 CGBDRO CC1(C)CC(Nc2ccccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000022875139 368812091 /nfs/dbraw/zinc/81/20/91/368812091.db2.gz ADAKAAWWNOKAFX-UHFFFAOYSA-N 1 0 277.368 3.316 20 5 CGBDRO CCC[C@@H]([NH2+]Cc1c[nH]nc1C)c1cccc([N+](=O)[O-])c1 ZINC000038011286 369141145 /nfs/dbraw/zinc/14/11/45/369141145.db2.gz NHOYGUAQECPWGS-OAHLLOKOSA-N 1 0 288.351 3.257 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCOc2ccc([N+](=O)[O-])cc2)o1 ZINC000038097561 369145473 /nfs/dbraw/zinc/14/54/73/369145473.db2.gz LWBCZHDVZGVDJV-GFCCVEGCSA-N 1 0 290.319 3.226 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000042814775 369233165 /nfs/dbraw/zinc/23/31/65/369233165.db2.gz UWNNSVHLQRNTRL-GJZGRUSLSA-N 1 0 278.352 3.205 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000042585959 369225116 /nfs/dbraw/zinc/22/51/16/369225116.db2.gz LUXMLGNTLLBFEU-ZDUSSCGKSA-N 1 0 250.342 3.427 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000042585962 369225887 /nfs/dbraw/zinc/22/58/87/369225887.db2.gz LUXMLGNTLLBFEU-CYBMUJFWSA-N 1 0 250.342 3.427 20 5 CGBDRO C[C@@H]1c2cccn2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000051960213 369460166 /nfs/dbraw/zinc/46/01/66/369460166.db2.gz RPXGRWLVDUQQJI-CYBMUJFWSA-N 1 0 285.347 3.016 20 5 CGBDRO CCC[NH2+]CCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000054267478 369499783 /nfs/dbraw/zinc/49/97/83/369499783.db2.gz FJVGXPWTZZDURW-UHFFFAOYSA-N 1 0 291.273 3.025 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1ccccc1[N+](=O)[O-] ZINC000064806330 369660766 /nfs/dbraw/zinc/66/07/66/369660766.db2.gz PBISJCDBDXXMHG-UHFFFAOYSA-N 1 0 280.368 3.232 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCCO1 ZINC000066434540 369693993 /nfs/dbraw/zinc/69/39/93/369693993.db2.gz PTYJHMHTVUZIKE-MRXNPFEDSA-N 1 0 292.379 3.374 20 5 CGBDRO CC(C)n1cncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090208573 370058951 /nfs/dbraw/zinc/05/89/51/370058951.db2.gz IVAGZGSHTQMETC-LBPRGKRZSA-N 1 0 288.351 3.223 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343993442 217007498 /nfs/dbraw/zinc/00/74/98/217007498.db2.gz ZUFBZXKSFGPTBJ-YRGRVCCFSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH+](CC2CC2)CC2CC2)cs1 ZINC000115562455 370535277 /nfs/dbraw/zinc/53/52/77/370535277.db2.gz JQPGYHSLRAVNAV-UHFFFAOYSA-N 1 0 266.366 3.278 20 5 CGBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000117394321 370590011 /nfs/dbraw/zinc/59/00/11/370590011.db2.gz KMHDEDYUBSUPQJ-OCCSQVGLSA-N 1 0 280.393 3.359 20 5 CGBDRO CSC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000151001178 371557387 /nfs/dbraw/zinc/55/73/87/371557387.db2.gz RPTUKWSWWRGASL-ONGXEEELSA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1ccc(C[N@H+](C)Cc2ccc(O)cc2)cc1[N+](=O)[O-] ZINC000290320843 371962277 /nfs/dbraw/zinc/96/22/77/371962277.db2.gz CYRGQJMEWYXSKS-UHFFFAOYSA-N 1 0 286.331 3.241 20 5 CGBDRO CSCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429233227 372326242 /nfs/dbraw/zinc/32/62/42/372326242.db2.gz CVIQLINUXBAHEN-UHFFFAOYSA-N 1 0 268.382 3.173 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000429307326 372347796 /nfs/dbraw/zinc/34/77/96/372347796.db2.gz HSWKUZDSELADKK-BXUZGUMPSA-N 1 0 298.342 3.118 20 5 CGBDRO CC(C)[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000293325280 372356233 /nfs/dbraw/zinc/35/62/33/372356233.db2.gz XTAVVFWLPDFBKM-CZUORRHYSA-N 1 0 292.379 3.403 20 5 CGBDRO COCC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293366702 372366314 /nfs/dbraw/zinc/36/63/14/372366314.db2.gz HRTWIOISYJIALS-LBPRGKRZSA-N 1 0 280.368 3.226 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCCC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000163223286 372455297 /nfs/dbraw/zinc/45/52/97/372455297.db2.gz KRROGMBZTCYALJ-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO C[C@H]1[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000432143997 372540206 /nfs/dbraw/zinc/54/02/06/372540206.db2.gz TYVJXHJHYFFWIF-GXSJLCMTSA-N 1 0 283.759 3.143 20 5 CGBDRO CC[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])CC(C)C ZINC000170908149 372680421 /nfs/dbraw/zinc/68/04/21/372680421.db2.gz CBKKPPHKPOMLLM-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cc[nH]c2)cc1 ZINC000344639931 217259322 /nfs/dbraw/zinc/25/93/22/217259322.db2.gz ZCXHZBNOPNJOJD-UHFFFAOYSA-N 1 0 273.336 3.035 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC2CC[NH+](C3CCC3)CC2)c1 ZINC000295660172 372866962 /nfs/dbraw/zinc/86/69/62/372866962.db2.gz ARHXKVIKTZBJKM-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO CC(C)[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000438349096 372934630 /nfs/dbraw/zinc/93/46/30/372934630.db2.gz VHZUDYRVRRPKBQ-CQSZACIVSA-N 1 0 262.353 3.463 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852380 372935195 /nfs/dbraw/zinc/93/51/95/372935195.db2.gz DQGXSESYTPLSAD-IUODEOHRSA-N 1 0 292.379 3.403 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000295861641 372939966 /nfs/dbraw/zinc/93/99/66/372939966.db2.gz BOZMLUUVKWRIMU-RISCZKNCSA-N 1 0 278.352 3.121 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(F)F ZINC000296193980 373049441 /nfs/dbraw/zinc/04/94/41/373049441.db2.gz YSKDKYRLWYLUJZ-UHFFFAOYSA-N 1 0 288.294 3.128 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1O)c1cccc([N+](=O)[O-])c1 ZINC000173371726 373131500 /nfs/dbraw/zinc/13/15/00/373131500.db2.gz GXJBJUKZPZVKRV-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO Cc1noc(C)c1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173401238 373134865 /nfs/dbraw/zinc/13/48/65/373134865.db2.gz PCPKRVAEYPZHQB-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1CCOCC1 ZINC000344858311 217336643 /nfs/dbraw/zinc/33/66/43/217336643.db2.gz MQNOPMKZCBEEOZ-UKTHLTGXSA-N 1 0 290.363 3.014 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000446721160 373344390 /nfs/dbraw/zinc/34/43/90/373344390.db2.gz ZSUPEAJCCKJDMA-LLVKDONJSA-N 1 0 289.335 3.214 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000298739724 373394691 /nfs/dbraw/zinc/39/46/91/373394691.db2.gz QFJTVWNHVIAUKB-UHFFFAOYSA-N 1 0 277.368 3.270 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc[nH]2)cc1 ZINC000298759169 373399977 /nfs/dbraw/zinc/39/99/77/373399977.db2.gz KAJMUAZYSYJJOS-OAHLLOKOSA-N 1 0 271.320 3.260 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301104558 373660204 /nfs/dbraw/zinc/66/02/04/373660204.db2.gz SAIJTGLKCWTVKV-UHFFFAOYSA-N 1 0 295.358 3.409 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C1(C)CC1 ZINC000177246061 373667002 /nfs/dbraw/zinc/66/70/02/373667002.db2.gz ZZUKHDCXMXLYRB-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H](Nc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301342132 373752691 /nfs/dbraw/zinc/75/26/91/373752691.db2.gz IZGGQDFJXRPELK-JTQLQIEISA-N 1 0 283.347 3.122 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000449474778 373760703 /nfs/dbraw/zinc/76/07/03/373760703.db2.gz KCVDXGPXUDCJGD-CYBMUJFWSA-N 1 0 290.363 3.034 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1 ZINC000449496829 373792088 /nfs/dbraw/zinc/79/20/88/373792088.db2.gz HPROMHCTDNGDMC-MRXNPFEDSA-N 1 0 297.358 3.369 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000303514424 374020852 /nfs/dbraw/zinc/02/08/52/374020852.db2.gz BXXJRHLVQXBPCP-ZDUSSCGKSA-N 1 0 295.358 3.410 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304458740 374054178 /nfs/dbraw/zinc/05/41/78/374054178.db2.gz VCMSRGCIECCXEB-HUBLWGQQSA-N 1 0 280.368 3.043 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000308363330 374164015 /nfs/dbraw/zinc/16/40/15/374164015.db2.gz IPBWFHCJTIUUKR-BYCMXARLSA-N 1 0 290.363 3.203 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451548539 374202436 /nfs/dbraw/zinc/20/24/36/374202436.db2.gz RXFVISOBKYTHLW-SLEUVZQESA-N 1 0 278.352 3.013 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](CO)C2)cc1[N+](=O)[O-] ZINC000313708767 374304014 /nfs/dbraw/zinc/30/40/14/374304014.db2.gz DVUDHUXRUDJKHY-KCQAQPDRSA-N 1 0 292.379 3.105 20 5 CGBDRO CCOc1cc(C[N@H+](C)C2CCCC2)ccc1[N+](=O)[O-] ZINC000331133711 374508226 /nfs/dbraw/zinc/50/82/26/374508226.db2.gz BWCMHVPEJUHXHG-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO CC[C@@H](F)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000331308184 374521436 /nfs/dbraw/zinc/52/14/36/374521436.db2.gz SSAWTDODVFENGA-GFCCVEGCSA-N 1 0 296.342 3.186 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000185239650 374619134 /nfs/dbraw/zinc/61/91/34/374619134.db2.gz ZXOJRKFJVMHSDT-CABCVRRESA-N 1 0 292.379 3.277 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000186320268 374832412 /nfs/dbraw/zinc/83/24/12/374832412.db2.gz NJHZFHYMXHRTOF-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000472268765 375014150 /nfs/dbraw/zinc/01/41/50/375014150.db2.gz QHZCUHZCHDMHNR-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO CCOC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000188860742 375283127 /nfs/dbraw/zinc/28/31/27/375283127.db2.gz FRYIXVOLWJUUEX-HNNXBMFYSA-N 1 0 280.368 3.054 20 5 CGBDRO CCOC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000189355975 375373945 /nfs/dbraw/zinc/37/39/45/375373945.db2.gz PAGIDKRPIAYDHN-WFASDCNBSA-N 1 0 280.368 3.307 20 5 CGBDRO C[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000507119582 375676472 /nfs/dbraw/zinc/67/64/72/375676472.db2.gz YKWBJWKNHSBULW-ZDUSSCGKSA-N 1 0 260.337 3.383 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCCCO)CCC2 ZINC000193070415 375822643 /nfs/dbraw/zinc/82/26/43/375822643.db2.gz QCSDJNNOLSAYHX-INIZCTEOSA-N 1 0 292.379 3.115 20 5 CGBDRO CC1(C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336789951 375939643 /nfs/dbraw/zinc/93/96/43/375939643.db2.gz KGVFJSHPFZGBSU-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@H]([N@H+](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000535085023 376026388 /nfs/dbraw/zinc/02/63/88/376026388.db2.gz QLOYUGCPACCDJR-NSHDSACASA-N 1 0 250.342 3.461 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c(F)c1 ZINC000336829436 375988380 /nfs/dbraw/zinc/98/83/80/375988380.db2.gz AJJNEIRDQWUNSI-IAQYHMDHSA-N 1 0 278.327 3.498 20 5 CGBDRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000536874423 376139706 /nfs/dbraw/zinc/13/97/06/376139706.db2.gz DCSUGPBZJPOZKN-GXTWGEPZSA-N 1 0 280.368 3.307 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C(C)(C)C)ccc1[N+](=O)[O-] ZINC000538711878 376257852 /nfs/dbraw/zinc/25/78/52/376257852.db2.gz CYRBAVDRDHMZOC-LLVKDONJSA-N 1 0 280.368 3.470 20 5 CGBDRO CC(C)(C)C[NH+](CCn1cc([N+](=O)[O-])cn1)CC(C)(C)C ZINC000539322751 376303396 /nfs/dbraw/zinc/30/33/96/376303396.db2.gz LHLMUOKWLMJUAA-UHFFFAOYSA-N 1 0 296.415 3.186 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000227272148 376386736 /nfs/dbraw/zinc/38/67/36/376386736.db2.gz LZTGCOQWBPHUAB-CHWSQXEVSA-N 1 0 278.352 3.205 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CCSC1 ZINC000228564028 376443199 /nfs/dbraw/zinc/44/31/99/376443199.db2.gz CWANEDXUMDVIIV-SECBINFHSA-N 1 0 286.784 3.091 20 5 CGBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000541390936 376444694 /nfs/dbraw/zinc/44/46/94/376444694.db2.gz WPIRZVNXUJHCBQ-ZDUSSCGKSA-N 1 0 262.353 3.463 20 5 CGBDRO Cc1cccc(NCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000338640489 376458883 /nfs/dbraw/zinc/45/88/83/376458883.db2.gz IEXDTMRFNXHVAZ-UHFFFAOYSA-N 1 0 277.368 3.191 20 5 CGBDRO Cc1cc(NCC[C@@H](C)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000338748897 376513421 /nfs/dbraw/zinc/51/34/21/376513421.db2.gz CRAACCONPNANNF-SECBINFHSA-N 1 0 277.299 3.033 20 5 CGBDRO CC1C[NH+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000338951653 376596663 /nfs/dbraw/zinc/59/66/63/376596663.db2.gz JQSXPJBBWZPRRH-UHFFFAOYSA-N 1 0 272.304 3.307 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542927797 376593496 /nfs/dbraw/zinc/59/34/96/376593496.db2.gz GFNVYNVNUGMNNC-JTQLQIEISA-N 1 0 268.744 3.480 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](CC3CC3)C2)ccc1[N+](=O)[O-] ZINC000339672387 376798748 /nfs/dbraw/zinc/79/87/48/376798748.db2.gz APKHMJLPJARUIV-CQSZACIVSA-N 1 0 290.363 3.225 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245533035 376844190 /nfs/dbraw/zinc/84/41/90/376844190.db2.gz UXQDMTNVHZNKPE-GXTWGEPZSA-N 1 0 278.352 3.075 20 5 CGBDRO CCOC[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000245537762 376844222 /nfs/dbraw/zinc/84/42/22/376844222.db2.gz YQCDJVZXLPFDON-KGLIPLIRSA-N 1 0 292.379 3.323 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@@H](C)F)c1cccc([N+](=O)[O-])c1 ZINC000340466575 377076062 /nfs/dbraw/zinc/07/60/62/377076062.db2.gz ZWSHCEWPWWUWBF-ZWNOBZJWSA-N 1 0 254.305 3.384 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC[C@@H](C)F)cccc1[N+](=O)[O-] ZINC000340466686 377076444 /nfs/dbraw/zinc/07/64/44/377076444.db2.gz DRWKEZVTBPSXPR-KOLCDFICSA-N 1 0 254.305 3.302 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247147431 377167421 /nfs/dbraw/zinc/16/74/21/377167421.db2.gz RHNDIOGXIOQIRI-MAZHCROVSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)C1CC1 ZINC000562056699 377270560 /nfs/dbraw/zinc/27/05/60/377270560.db2.gz TYZZMKISTJZIOS-ZNMIVQPWSA-N 1 0 292.354 3.396 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000563443466 377467503 /nfs/dbraw/zinc/46/75/03/377467503.db2.gz UCPWGMCGBFYTKY-PJXYFTJBSA-N 1 0 298.289 3.084 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000341268990 377480621 /nfs/dbraw/zinc/48/06/21/377480621.db2.gz LKWBHERNZUZFTQ-YOPWKTHZSA-N 1 0 290.363 3.013 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+](C)C2CCCC2)c1 ZINC000094659671 249042470 /nfs/dbraw/zinc/04/24/70/249042470.db2.gz ZYHHUSXTWGCHKB-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000314389552 249095511 /nfs/dbraw/zinc/09/55/11/249095511.db2.gz SQGFWZIJIBKOJE-LBPRGKRZSA-N 1 0 295.358 3.329 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001737 249290789 /nfs/dbraw/zinc/29/07/89/249290789.db2.gz RAHHKMFBFIDKFT-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H]1CCC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001736 249291223 /nfs/dbraw/zinc/29/12/23/249291223.db2.gz RAHHKMFBFIDKFT-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000574555275 377678825 /nfs/dbraw/zinc/67/88/25/377678825.db2.gz DEIIQMFHAGHAQM-ZDUSSCGKSA-N 1 0 262.353 3.306 20 5 CGBDRO CC1(C)CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255884582 377784491 /nfs/dbraw/zinc/78/44/91/377784491.db2.gz XAEBBULZHCNNBA-ALCCZGGFSA-N 1 0 260.337 3.340 20 5 CGBDRO CC1(C)CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000343002001 377880279 /nfs/dbraw/zinc/88/02/79/377880279.db2.gz VCBAGBWCZYITOX-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000346495189 217923178 /nfs/dbraw/zinc/92/31/78/217923178.db2.gz KYJHYXIYNDPNKV-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272699200 378690651 /nfs/dbraw/zinc/69/06/51/378690651.db2.gz YIHXXLOQFWXQMQ-SECBINFHSA-N 1 0 256.733 3.179 20 5 CGBDRO COc1cc(C[NH2+]CCC=C(C)C)c([N+](=O)[O-])cc1OC ZINC000276614029 378967422 /nfs/dbraw/zinc/96/74/22/378967422.db2.gz JEIHLKMIPWAKNP-UHFFFAOYSA-N 1 0 294.351 3.058 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000276747175 378990306 /nfs/dbraw/zinc/99/03/06/378990306.db2.gz HGXUAZBNVOIIQU-DOMZBBRYSA-N 1 0 294.395 3.349 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C1CC(F)(F)C1)C1CC1 ZINC000276999035 379042001 /nfs/dbraw/zinc/04/20/01/379042001.db2.gz ACSDLEYIEITFCP-ZDUSSCGKSA-N 1 0 296.317 3.303 20 5 CGBDRO Cc1cccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1C ZINC000348921802 379111584 /nfs/dbraw/zinc/11/15/84/379111584.db2.gz ORAJESQOTMBHAW-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO C[C@H]([NH2+]CCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000266451869 190258201 /nfs/dbraw/zinc/25/82/01/190258201.db2.gz JUIONSDFXQOCJG-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000374007647 379361975 /nfs/dbraw/zinc/36/19/75/379361975.db2.gz JQDYONXQBBGVPO-LLVKDONJSA-N 1 0 290.294 3.316 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279169601 379413130 /nfs/dbraw/zinc/41/31/30/379413130.db2.gz UQSBHGXWYSXUND-IINYFYTJSA-N 1 0 292.404 3.412 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000279973831 379569077 /nfs/dbraw/zinc/56/90/77/379569077.db2.gz DDWXWGSONNFVIR-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n1 ZINC000280239250 379649325 /nfs/dbraw/zinc/64/93/25/379649325.db2.gz VXTZHSGCMUBUSM-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CCn1cccc1CN(C)Cc1ccccc1[N+](=O)[O-] ZINC000267467224 190332764 /nfs/dbraw/zinc/33/27/64/190332764.db2.gz UWFAGMDIIQFIGX-UHFFFAOYSA-N 1 0 273.336 3.048 20 5 CGBDRO C[C@H]([NH3+])[C@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000381529002 379868670 /nfs/dbraw/zinc/86/86/70/379868670.db2.gz ZZOFFSNKGDJLBN-WDSKDSINSA-N 1 0 278.139 3.049 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000352607819 379874562 /nfs/dbraw/zinc/87/45/62/379874562.db2.gz AHVWPLCWRNQSGH-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO COc1ccc(C[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000352768957 379950287 /nfs/dbraw/zinc/95/02/87/379950287.db2.gz LAFVFQWAEZPLGD-UHFFFAOYSA-N 1 0 266.341 3.222 20 5 CGBDRO CC(C)SCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000283028996 380025515 /nfs/dbraw/zinc/02/55/15/380025515.db2.gz HKZKPNFZRZNUBM-LLVKDONJSA-N 1 0 268.382 3.387 20 5 CGBDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000352899072 380026471 /nfs/dbraw/zinc/02/64/71/380026471.db2.gz GWVNCYALOWRFOX-CJNGLKHVSA-N 1 0 292.379 3.136 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C(F)(F)F)CC2)cs1 ZINC000353048360 380093291 /nfs/dbraw/zinc/09/32/91/380093291.db2.gz ADBKHAPSUJKCCZ-UHFFFAOYSA-N 1 0 280.271 3.088 20 5 CGBDRO Cc1ccc(CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)cn1 ZINC000354354717 380411176 /nfs/dbraw/zinc/41/11/76/380411176.db2.gz YQBHUVDKGOMKJW-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO CC[C@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417349887 380601769 /nfs/dbraw/zinc/60/17/69/380601769.db2.gz NEMGGJMXRYBIDK-GDBMZVCRSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000360601393 381590122 /nfs/dbraw/zinc/59/01/22/381590122.db2.gz XHQCBUCTPBSYCI-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H](C)C1 ZINC000360601418 381590180 /nfs/dbraw/zinc/59/01/80/381590180.db2.gz XJESFIZEVQCUEN-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1C ZINC000348931401 218777449 /nfs/dbraw/zinc/77/74/49/218777449.db2.gz BCIILRQZJFWBPB-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000289317629 197295202 /nfs/dbraw/zinc/29/52/02/197295202.db2.gz FIQAGXRTDFOUSN-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350343877 219010460 /nfs/dbraw/zinc/01/04/60/219010460.db2.gz WZEWCOCGDYRNGQ-UKRRQHHQSA-N 1 0 296.342 3.027 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000353861963 220374721 /nfs/dbraw/zinc/37/47/21/220374721.db2.gz BGSHNXHAPFVOFY-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@H]1C ZINC000430216417 533137247 /nfs/dbraw/zinc/13/72/47/533137247.db2.gz HCTQCRPQBYXJHG-RISCZKNCSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003284 542414078 /nfs/dbraw/zinc/41/40/78/542414078.db2.gz TXABPAOYWWMXBC-QWRGUYRKSA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1cc(F)ccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050577327 392065421 /nfs/dbraw/zinc/06/54/21/392065421.db2.gz HXTNXAGGDXXDSZ-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442294 392415794 /nfs/dbraw/zinc/41/57/94/392415794.db2.gz WDCXUUOXTCEXAU-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000291238437 392458012 /nfs/dbraw/zinc/45/80/12/392458012.db2.gz LABFURJPTZVFSM-LBPRGKRZSA-N 1 0 298.770 3.248 20 5 CGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2)C1 ZINC000301080177 392584502 /nfs/dbraw/zinc/58/45/02/392584502.db2.gz SUNLBNUZKJCMNE-KRWDZBQOSA-N 1 0 297.358 3.088 20 5 CGBDRO CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OCC ZINC000505842421 392700709 /nfs/dbraw/zinc/70/07/09/392700709.db2.gz JHJLNCNDWWHDAV-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505867145 392703285 /nfs/dbraw/zinc/70/32/85/392703285.db2.gz DSFAUVHNQRSIMM-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@@H](C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000181133258 392722212 /nfs/dbraw/zinc/72/22/12/392722212.db2.gz MMHZYNNDAJWFOW-GFCCVEGCSA-N 1 0 278.352 3.237 20 5 CGBDRO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CC1 ZINC000193719601 392884042 /nfs/dbraw/zinc/88/40/42/392884042.db2.gz PXKTZEBVWJETSD-UHFFFAOYSA-N 1 0 293.323 3.123 20 5 CGBDRO CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC(C)C ZINC000519906111 392902441 /nfs/dbraw/zinc/90/24/41/392902441.db2.gz ISDQBBPWNMKFJF-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000546123931 393034519 /nfs/dbraw/zinc/03/45/19/393034519.db2.gz DXUUEQOEPNYFCZ-LBPRGKRZSA-N 1 0 292.379 3.471 20 5 CGBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000546267460 393042491 /nfs/dbraw/zinc/04/24/91/393042491.db2.gz RSTNZVAKMOMFQM-SNVBAGLBSA-N 1 0 276.258 3.415 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414197649 393043459 /nfs/dbraw/zinc/04/34/59/393043459.db2.gz BVDXEXPKQPPJPD-KYOSRNDESA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CC(C)C)C1 ZINC000466733619 393054193 /nfs/dbraw/zinc/05/41/93/393054193.db2.gz VQNNOGOGIBJCAQ-ZDUSSCGKSA-N 1 0 292.379 3.471 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccco1 ZINC000468638323 393156580 /nfs/dbraw/zinc/15/65/80/393156580.db2.gz ASFOVCLKTKVHSW-XYOKQWHBSA-N 1 0 272.304 3.381 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@@H]1CCSC1 ZINC000470180401 393231349 /nfs/dbraw/zinc/23/13/49/393231349.db2.gz MPKUYIAAZINNQJ-LDCOFTPGSA-N 1 0 292.404 3.435 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000268976141 393212128 /nfs/dbraw/zinc/21/21/28/393212128.db2.gz AYNNNTWHHXMKOO-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCO1 ZINC000278789389 393325580 /nfs/dbraw/zinc/32/55/80/393325580.db2.gz QGHQQPDIRSAGPY-KFNAQCHYSA-N 1 0 290.363 3.129 20 5 CGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280313 393448800 /nfs/dbraw/zinc/44/88/00/393448800.db2.gz LAENBFJYLZYDRR-GXSJLCMTSA-N 1 0 283.759 3.178 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000430212130 393540719 /nfs/dbraw/zinc/54/07/19/393540719.db2.gz ZOCJIDKLDHQMPI-NWDGAFQWSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC[C@@H](C)C1 ZINC000430209009 393538989 /nfs/dbraw/zinc/53/89/89/393538989.db2.gz WFVQXJLFSPDOLG-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CCC[NH+](CCC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430208835 393539694 /nfs/dbraw/zinc/53/96/94/393539694.db2.gz PQTFOGWNVNOXGA-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO Cc1c(C[N@@H+]2CC(C)=C[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000430264471 393552654 /nfs/dbraw/zinc/55/26/54/393552654.db2.gz BHKNHLXVBDLSDR-LLVKDONJSA-N 1 0 260.337 3.301 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc(C)n1 ZINC000421197209 393594754 /nfs/dbraw/zinc/59/47/54/393594754.db2.gz GRWYMXKCQRNALY-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCCF)CCC2 ZINC000360999184 393634734 /nfs/dbraw/zinc/63/47/34/393634734.db2.gz SEXIBGCWYAOUMB-CQSZACIVSA-N 1 0 266.316 3.312 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491185803 393670593 /nfs/dbraw/zinc/67/05/93/393670593.db2.gz IOQQLGRJYBAFNC-RISCZKNCSA-N 1 0 260.337 3.388 20 5 CGBDRO COCC(C)(C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000491471616 393691134 /nfs/dbraw/zinc/69/11/34/393691134.db2.gz NBRGTTFTLOYVII-MDWZMJQESA-N 1 0 292.379 3.260 20 5 CGBDRO CCC(CC)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000492223937 393705670 /nfs/dbraw/zinc/70/56/70/393705670.db2.gz IISRLMLJPRJMLU-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO Cc1cc(N(C)[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000498885478 393786559 /nfs/dbraw/zinc/78/65/59/393786559.db2.gz YKXSPZPMJTUKIN-ZDUSSCGKSA-N 1 0 291.395 3.070 20 5 CGBDRO CC(C)=CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601066 393866016 /nfs/dbraw/zinc/86/60/16/393866016.db2.gz NXAKVAVXWNDFPS-KGLIPLIRSA-N 1 0 292.383 3.221 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449531648 393885176 /nfs/dbraw/zinc/88/51/76/393885176.db2.gz BYIYLSHUHCZUEW-ZBFHGGJFSA-N 1 0 290.338 3.354 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449557257 393901761 /nfs/dbraw/zinc/90/17/61/393901761.db2.gz VKVXPDNENYBGCQ-QEJZJMRPSA-N 1 0 276.380 3.408 20 5 CGBDRO C[C@H](NCC[N@@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453394936 394230438 /nfs/dbraw/zinc/23/04/38/394230438.db2.gz JMGOPDSTKWUYHK-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453429261 394243421 /nfs/dbraw/zinc/24/34/21/394243421.db2.gz QHJMOHFLDUKZME-OLZOCXBDSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC(C)(C)OCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000453620903 394261237 /nfs/dbraw/zinc/26/12/37/394261237.db2.gz WFJIOMQKWXBIKY-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245527019 292294995 /nfs/dbraw/zinc/29/49/95/292294995.db2.gz PQYSLPMXKXCPGH-QWHCGFSZSA-N 1 0 278.352 3.075 20 5 CGBDRO CCC[N@H+](C)[C@@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000069092347 165051328 /nfs/dbraw/zinc/05/13/28/165051328.db2.gz NBQIYGLPIPGCFE-JTQLQIEISA-N 1 0 290.323 3.048 20 5 CGBDRO CC(C)[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000076066715 165111590 /nfs/dbraw/zinc/11/15/90/165111590.db2.gz YISCUKNXCHYDHY-CQSZACIVSA-N 1 0 280.393 3.168 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359728 165231348 /nfs/dbraw/zinc/23/13/48/165231348.db2.gz GPLHXTPQDLDCTB-VHSXEESVSA-N 1 0 281.312 3.027 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000092427549 165295389 /nfs/dbraw/zinc/29/53/89/165295389.db2.gz HPDPMVLFBKLTDO-VFADXPBXSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[NH+](CC)CCCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000092623800 165305443 /nfs/dbraw/zinc/30/54/43/165305443.db2.gz PKFSSPIXBGNLBR-UHFFFAOYSA-N 1 0 279.384 3.437 20 5 CGBDRO CC[C@@H]([NH2+]C[C@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797214 165391720 /nfs/dbraw/zinc/39/17/20/165391720.db2.gz KIUDTPPVZCOAFZ-CABCVRRESA-N 1 0 278.352 3.205 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000111398777 287134526 /nfs/dbraw/zinc/13/45/26/287134526.db2.gz IGMLEYILJLEMDO-RDJZCZTQSA-N 1 0 282.343 3.488 20 5 CGBDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020145130 171030038 /nfs/dbraw/zinc/03/00/38/171030038.db2.gz LOJNNWGDMRKMNR-GFCCVEGCSA-N 1 0 274.320 3.299 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCc3occc32)cc1 ZINC000020204972 171070706 /nfs/dbraw/zinc/07/07/06/171070706.db2.gz LAWVRFYYXZGURR-CQSZACIVSA-N 1 0 272.304 3.355 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])cc1F ZINC000020474759 171218722 /nfs/dbraw/zinc/21/87/22/171218722.db2.gz LAGMYDFBRAMTNB-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000020565975 171254490 /nfs/dbraw/zinc/25/44/90/171254490.db2.gz SZZXZSSAYBNKDP-YPMHNXCESA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CCO)CCCC2)ccc1Cl ZINC000285348235 196257694 /nfs/dbraw/zinc/25/76/94/196257694.db2.gz ASZKEVSSTSVALG-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000037167375 173001911 /nfs/dbraw/zinc/00/19/11/173001911.db2.gz ZTXRPGIDPFBXIQ-GHMZBOCLSA-N 1 0 288.351 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3ccccc3C2)cc1 ZINC000037487197 173230098 /nfs/dbraw/zinc/23/00/98/173230098.db2.gz SVKWXEQLIASVPV-INIZCTEOSA-N 1 0 282.343 3.242 20 5 CGBDRO C[C@@H]([NH2+]CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000040767604 174398378 /nfs/dbraw/zinc/39/83/78/174398378.db2.gz YQMPNLMSQFWVBW-CQSZACIVSA-N 1 0 291.395 3.121 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)C[NH+]1CCCC1 ZINC000058003187 175604815 /nfs/dbraw/zinc/60/48/15/175604815.db2.gz KIVJZBJYDYXGKS-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000042895070 270033478 /nfs/dbraw/zinc/03/34/78/270033478.db2.gz JYWUHGLOIIZCJZ-CYBMUJFWSA-N 1 0 286.331 3.324 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184588596 270059233 /nfs/dbraw/zinc/05/92/33/270059233.db2.gz MBMTXWJQJUMFAJ-MFKMUULPSA-N 1 0 266.316 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(Cc3ccccc3)CC2)cc1 ZINC000187492548 270068777 /nfs/dbraw/zinc/06/87/77/270068777.db2.gz NLTFQCJUDHCGHT-UHFFFAOYSA-N 1 0 282.343 3.460 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\c2ccccc2)cc1 ZINC000220548513 270085938 /nfs/dbraw/zinc/08/59/38/270085938.db2.gz SGDAQPBHZVEOFY-DAXSKMNVSA-N 1 0 268.316 3.398 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)C2CCC2)cs1 ZINC000324650344 270094475 /nfs/dbraw/zinc/09/44/75/270094475.db2.gz FTAQJAOPRCLWDJ-CYBMUJFWSA-N 1 0 266.366 3.325 20 5 CGBDRO C[C@H](C1CC1)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000520843041 270099249 /nfs/dbraw/zinc/09/92/49/270099249.db2.gz HMIFPGDADMMYCO-GFCCVEGCSA-N 1 0 290.363 3.237 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCCC[NH+]1CCCC1 ZINC000531689076 270208727 /nfs/dbraw/zinc/20/87/27/270208727.db2.gz NEEWARZCBLDFMR-AWEZNQCLSA-N 1 0 291.395 3.040 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C ZINC000532504158 270216613 /nfs/dbraw/zinc/21/66/13/270216613.db2.gz ZUTXECYLQQSNLU-TZMCWYRMSA-N 1 0 294.395 3.351 20 5 CGBDRO COC(C)(C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433283819 274012148 /nfs/dbraw/zinc/01/21/48/274012148.db2.gz JHAUKSUNULDNNR-AWEZNQCLSA-N 1 0 292.379 3.332 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000277041577 274062282 /nfs/dbraw/zinc/06/22/82/274062282.db2.gz UBRWPGVEOUXOJZ-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537092737 288514359 /nfs/dbraw/zinc/51/43/59/288514359.db2.gz GXMSCVXEFYWNCO-WOSRLPQWSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC3)CCC2 ZINC000335247825 275038098 /nfs/dbraw/zinc/03/80/98/275038098.db2.gz DWPJUKSGSWFLQR-KBPBESRZSA-N 1 0 258.321 3.114 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344595589 275741187 /nfs/dbraw/zinc/74/11/87/275741187.db2.gz VGDIWVFJJWOFKM-OCCSQVGLSA-N 1 0 292.379 3.233 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000094423822 275861408 /nfs/dbraw/zinc/86/14/08/275861408.db2.gz ZLZRTXQYMSUSLN-CYBMUJFWSA-N 1 0 278.352 3.031 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000094424082 278369137 /nfs/dbraw/zinc/36/91/37/278369137.db2.gz NLYGYJXSZWQRAB-CQSZACIVSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000346656281 279466902 /nfs/dbraw/zinc/46/69/02/279466902.db2.gz ZZIOCMAJWLXCHC-BBRMVZONSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521906 279508925 /nfs/dbraw/zinc/50/89/25/279508925.db2.gz GRBFTGFRWCSUJF-ZWKOPEQDSA-N 1 0 252.289 3.136 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2(F)CC2)cc1[N+](=O)[O-] ZINC000527237837 288160054 /nfs/dbraw/zinc/16/00/54/288160054.db2.gz MSGFSEGIINEPOY-JTQLQIEISA-N 1 0 252.289 3.056 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000245526797 281022022 /nfs/dbraw/zinc/02/20/22/281022022.db2.gz PLCOJWHFAJPHQK-XJKSGUPXSA-N 1 0 290.363 3.077 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCSC1 ZINC000530365979 288301770 /nfs/dbraw/zinc/30/17/70/288301770.db2.gz JVXLTWDFORZSML-MNOVXSKESA-N 1 0 266.366 3.059 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538192965 288562220 /nfs/dbraw/zinc/56/22/20/288562220.db2.gz NBSUWBIDXMOOAM-HEHGZKQESA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000540395224 288654732 /nfs/dbraw/zinc/65/47/32/288654732.db2.gz RPSMBWQVCBBYDI-DOMZBBRYSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554095424 289258496 /nfs/dbraw/zinc/25/84/96/289258496.db2.gz FKTIQJFINKPAMI-ZHAHWJHGSA-N 1 0 270.279 3.207 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCC[C@H]1F ZINC000555645191 289355512 /nfs/dbraw/zinc/35/55/12/289355512.db2.gz SZUQNPLFCWJJHD-DLTMEVEPSA-N 1 0 278.327 3.478 20 5 CGBDRO Cc1cc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)on1 ZINC000560581059 289607346 /nfs/dbraw/zinc/60/73/46/289607346.db2.gz FBJJOBAPRDKUEV-GFCCVEGCSA-N 1 0 289.335 3.093 20 5 CGBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000388647142 327914319 /nfs/dbraw/zinc/91/43/19/327914319.db2.gz YTLWIZLJGBKCRS-GHMZBOCLSA-N 1 0 266.316 3.260 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1Cc2ccccc2C1 ZINC000563418475 321996291 /nfs/dbraw/zinc/99/62/91/321996291.db2.gz USRUBJVMFSQCTK-QGZVFWFLSA-N 1 0 294.354 3.339 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000564328862 322027996 /nfs/dbraw/zinc/02/79/96/322027996.db2.gz WKKGLNZXHUSJEQ-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C=CCCC1 ZINC000566475235 322125051 /nfs/dbraw/zinc/12/50/51/322125051.db2.gz LJYHDEWHCHIUEJ-SMDDNHRTSA-N 1 0 258.321 3.280 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C1(CF)CCC1 ZINC000566573054 322130421 /nfs/dbraw/zinc/13/04/21/322130421.db2.gz WJGGBLOOCXBVFA-GFCCVEGCSA-N 1 0 264.300 3.064 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000567207239 322154280 /nfs/dbraw/zinc/15/42/80/322154280.db2.gz AJDCBFDMWANCHA-LRDDRELGSA-N 1 0 292.379 3.369 20 5 CGBDRO CS[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000567542835 322167421 /nfs/dbraw/zinc/16/74/21/322167421.db2.gz YBOYOONOTVECAA-ZDUSSCGKSA-N 1 0 282.409 3.462 20 5 CGBDRO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cc(C)n1 ZINC000568664761 322218052 /nfs/dbraw/zinc/21/80/52/322218052.db2.gz YOWMYIGJMMGQEE-MRXNPFEDSA-N 1 0 297.358 3.384 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000569585778 322251220 /nfs/dbraw/zinc/25/12/20/322251220.db2.gz PERZRZWEYDJRCN-KBPBESRZSA-N 1 0 293.411 3.366 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573097609 322369892 /nfs/dbraw/zinc/36/98/92/322369892.db2.gz NOBNJNBQUHFGEE-WOSRLPQWSA-N 1 0 294.395 3.351 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CSC1(C)C ZINC000584160359 327053132 /nfs/dbraw/zinc/05/31/32/327053132.db2.gz FWTXIYUNKKBMFG-DPQIITEBSA-N 1 0 292.404 3.482 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000381347863 336060066 /nfs/dbraw/zinc/06/00/66/336060066.db2.gz DKSNRDYDTCOLIU-HUBLWGQQSA-N 1 0 280.368 3.307 20 5 CGBDRO CSC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131551954 533784496 /nfs/dbraw/zinc/78/44/96/533784496.db2.gz BYFRBXXRIAAJSW-WDEREUQCSA-N 1 0 268.382 3.305 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1C[C@H]1C ZINC000414132756 533925116 /nfs/dbraw/zinc/92/51/16/533925116.db2.gz MTHOSGBBSBSLHU-VDDIYKPWSA-N 1 0 268.744 3.382 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCCC1 ZINC000449105247 534254170 /nfs/dbraw/zinc/25/41/70/534254170.db2.gz YBLAPXWBBCYBHR-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[NH+](CC)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104663196 520711153 /nfs/dbraw/zinc/71/11/53/520711153.db2.gz LTTFSAFNWABGKZ-UHFFFAOYSA-N 1 0 289.335 3.134 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000156248492 521618042 /nfs/dbraw/zinc/61/80/42/521618042.db2.gz DTUGTUWPWHTMSX-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO CCc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000052926230 521838334 /nfs/dbraw/zinc/83/83/34/521838334.db2.gz BEOOSZSZXJLCMX-UHFFFAOYSA-N 1 0 270.332 3.447 20 5 CGBDRO COC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000086695534 522765014 /nfs/dbraw/zinc/76/50/14/522765014.db2.gz FKOMNJKEJPDMHT-OCCSQVGLSA-N 1 0 280.368 3.225 20 5 CGBDRO CC(C)=CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000191625352 527442709 /nfs/dbraw/zinc/44/27/09/527442709.db2.gz QTFUQKJFNNHSHX-UHFFFAOYSA-N 1 0 254.717 3.304 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414142336 528103155 /nfs/dbraw/zinc/10/31/55/528103155.db2.gz KNGNHPKOEGQHSV-IVMMDQJWSA-N 1 0 290.363 3.129 20 5 CGBDRO CCC[C@H](NC[C@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263952 528223820 /nfs/dbraw/zinc/22/38/20/528223820.db2.gz BOVRCPBLDUCLOJ-GJZGRUSLSA-N 1 0 279.384 3.009 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000417967650 529139321 /nfs/dbraw/zinc/13/93/21/529139321.db2.gz VNPRFJZMJFFPOI-CQSZACIVSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423185005 529157535 /nfs/dbraw/zinc/15/75/35/529157535.db2.gz UKUQZERRAURAPQ-OAHLLOKOSA-N 1 0 291.395 3.297 20 5 CGBDRO CCC1(C)CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750053563 571737719 /nfs/dbraw/zinc/73/77/19/571737719.db2.gz RUUJFDGOLJIJBS-HNNXBMFYSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CCOC2CCC2)cc1[N+](=O)[O-] ZINC000742386951 572574898 /nfs/dbraw/zinc/57/48/98/572574898.db2.gz MZTWUWYYKDNNOX-UHFFFAOYSA-N 1 0 292.379 3.377 20 5 CGBDRO CCCC[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000746045177 572848237 /nfs/dbraw/zinc/84/82/37/572848237.db2.gz UHRFKPNLQWNSTJ-UHFFFAOYSA-N 1 0 280.372 3.184 20 5 CGBDRO Cc1c(C[NH2+]CCOc2ccccc2)cccc1[N+](=O)[O-] ZINC000042254052 620715532 /nfs/dbraw/zinc/71/55/32/620715532.db2.gz YUCDIRGYGICMCP-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO C[C@H](NCc1cc(F)ccc1[N+](=O)[O-])c1cncs1 ZINC000934203553 618532506 /nfs/dbraw/zinc/53/25/06/618532506.db2.gz YNGBLVGIXRJPMB-QMMMGPOBSA-N 1 0 281.312 3.041 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000934398492 618617414 /nfs/dbraw/zinc/61/74/14/618617414.db2.gz VPLSUHBQCVUITD-IUODEOHRSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934779464 618688476 /nfs/dbraw/zinc/68/84/76/618688476.db2.gz SAJWCMFHXDWXGB-KYOSRNDESA-N 1 0 292.404 3.341 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000219211216 618720956 /nfs/dbraw/zinc/72/09/56/618720956.db2.gz NWJXOWJUKVFHCR-SNVBAGLBSA-N 1 0 290.294 3.290 20 5 CGBDRO CC(C)CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856951 619411378 /nfs/dbraw/zinc/41/13/78/619411378.db2.gz YBRICDULSOJCCW-MRXNPFEDSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000178856937 619411551 /nfs/dbraw/zinc/41/15/51/619411551.db2.gz YBRICDULSOJCCW-INIZCTEOSA-N 1 0 292.379 3.139 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CF)C1 ZINC000895572066 619851707 /nfs/dbraw/zinc/85/17/07/619851707.db2.gz DYZHANRUUJEDOZ-YRBHFNIASA-N 1 0 278.327 3.290 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCCCO1 ZINC000896923558 620103678 /nfs/dbraw/zinc/10/36/78/620103678.db2.gz JRHGQNMWUNQSIB-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000897460246 620339872 /nfs/dbraw/zinc/33/98/72/620339872.db2.gz GCDNGJUFFFHVMU-XJKCOSOUSA-N 1 0 292.379 3.246 20 5 CGBDRO CC[C@](C)(C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897464379 620339997 /nfs/dbraw/zinc/33/99/97/620339997.db2.gz LZONSRPRJMUACE-IUODEOHRSA-N 1 0 280.368 3.103 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897464317 620340014 /nfs/dbraw/zinc/34/00/14/620340014.db2.gz LARHGFGQMHFESV-HZSPNIEDSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000897463937 620340405 /nfs/dbraw/zinc/34/04/05/620340405.db2.gz CXSIDLAMKJDOFX-NEPJUHHUSA-N 1 0 280.393 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@H]2CCCO)cc1 ZINC000925312553 620397707 /nfs/dbraw/zinc/39/77/07/620397707.db2.gz HWRFDNABOJRCLF-HOCLYGCPSA-N 1 0 292.379 3.016 20 5 CGBDRO CSCC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000898305708 620509321 /nfs/dbraw/zinc/50/93/21/620509321.db2.gz PCOSOUIXTKTIDB-VURMDHGXSA-N 1 0 280.393 3.339 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/Cl ZINC000898434270 620587164 /nfs/dbraw/zinc/58/71/64/620587164.db2.gz UNPUOBRFKJEBEK-VKJYCEFSSA-N 1 0 268.744 3.258 20 5 CGBDRO CNc1ccc(C)cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000902079489 621127945 /nfs/dbraw/zinc/12/79/45/621127945.db2.gz YBGBTMUZADGFNP-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO C[C@H](N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372335 621276830 /nfs/dbraw/zinc/27/68/30/621276830.db2.gz XDNVEPRZUVJVIX-QWHCGFSZSA-N 1 0 291.395 3.024 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C2CCSCC2)cc([N+](=O)[O-])c1 ZINC000903116665 621586858 /nfs/dbraw/zinc/58/68/58/621586858.db2.gz MIBIIHLGGKMXDG-SNVBAGLBSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)cc([N+](=O)[O-])c1 ZINC000903186023 621612061 /nfs/dbraw/zinc/61/20/61/621612061.db2.gz NCDADHPWNRQQFN-JFGNBEQYSA-N 1 0 296.392 3.148 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000903286971 621669713 /nfs/dbraw/zinc/66/97/13/621669713.db2.gz LAYFCFBJRLYQRH-XNRPHZJLSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000903287946 621670358 /nfs/dbraw/zinc/67/03/58/621670358.db2.gz UIUVQRAYMSNEHC-OSAQELSMSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000903287948 621670665 /nfs/dbraw/zinc/67/06/65/621670665.db2.gz UIUVQRAYMSNEHC-ZLDLUXBVSA-N 1 0 278.352 3.061 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903333268 621689311 /nfs/dbraw/zinc/68/93/11/621689311.db2.gz YMZHOFQSVGBLQW-QWHCGFSZSA-N 1 0 294.395 3.319 20 5 CGBDRO CC(C)([NH3+])c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000904471525 621925714 /nfs/dbraw/zinc/92/57/14/621925714.db2.gz IHOTTYZGCCKCQZ-UHFFFAOYSA-N 1 0 285.347 3.401 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000905396201 622072402 /nfs/dbraw/zinc/07/24/02/622072402.db2.gz QCVCPUGWDZKPNO-ZDUSSCGKSA-N 1 0 293.754 3.065 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644269 622094423 /nfs/dbraw/zinc/09/44/23/622094423.db2.gz PDVLNCYJMRAUQR-KGLIPLIRSA-N 1 0 294.395 3.085 20 5 CGBDRO CC1(C)CC2(CC([NH2+]Cc3cccc([N+](=O)[O-])c3)C2)CO1 ZINC000924852429 622721306 /nfs/dbraw/zinc/72/13/06/622721306.db2.gz IXSYCSNTUKZOTR-UHFFFAOYSA-N 1 0 290.363 3.032 20 5 CGBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000224169516 622870099 /nfs/dbraw/zinc/87/00/99/622870099.db2.gz HIJLZKPASPAZGW-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000045652501 622875680 /nfs/dbraw/zinc/87/56/80/622875680.db2.gz CHSVRSJIHDDVDH-LLVKDONJSA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1nc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)cs1 ZINC000226384948 622965708 /nfs/dbraw/zinc/96/57/08/622965708.db2.gz WKVOTRHLBCHRJW-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1F ZINC000227401638 623017760 /nfs/dbraw/zinc/01/77/60/623017760.db2.gz LNZXNSDBKNTIAJ-GXTWGEPZSA-N 1 0 278.327 3.498 20 5 CGBDRO CC(C)n1cncc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922537718 626011170 /nfs/dbraw/zinc/01/11/70/626011170.db2.gz JLLBQBMNJIIBNL-GFCCVEGCSA-N 1 0 288.351 3.223 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cs1 ZINC000922814520 626048510 /nfs/dbraw/zinc/04/85/10/626048510.db2.gz WTRWCCZOGYKZQN-LBPRGKRZSA-N 1 0 296.392 3.238 20 5 CGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000839144555 626316950 /nfs/dbraw/zinc/31/69/50/626316950.db2.gz UXXPONWIAPGWRK-UHOFOFEASA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000839147502 626317086 /nfs/dbraw/zinc/31/70/86/626317086.db2.gz KUISQGRIXMBIQE-TXEJJXNPSA-N 1 0 298.770 3.294 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000839200484 626332002 /nfs/dbraw/zinc/33/20/02/626332002.db2.gz SVXCBLDSVFMVDL-CVEARBPZSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCCCCO ZINC000776166449 628174466 /nfs/dbraw/zinc/17/44/66/628174466.db2.gz AEKOMZCPKCNSEV-ZDUSSCGKSA-N 1 0 280.368 3.107 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582550 628221059 /nfs/dbraw/zinc/22/10/59/628221059.db2.gz VESRHNFNICOZHC-JKSUJKDBSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC[N@H+](CC)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777956197 628313858 /nfs/dbraw/zinc/31/38/58/628313858.db2.gz FBJHHKKNHIZANB-UHFFFAOYSA-N 1 0 288.351 3.148 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000783664825 628736670 /nfs/dbraw/zinc/73/66/70/628736670.db2.gz LKGMLNIIYFGGOU-PWSUYJOCSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)=CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788778574 629081304 /nfs/dbraw/zinc/08/13/04/629081304.db2.gz SXWHQFBHYDRFBH-LLVKDONJSA-N 1 0 263.341 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CCCOC2)cc1Cl ZINC000862434090 629371301 /nfs/dbraw/zinc/37/13/01/629371301.db2.gz SPKXOJCYLNXBQM-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804393521 630525316 /nfs/dbraw/zinc/52/53/16/630525316.db2.gz KCQQFGPZLTYLLP-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO CC1(C)CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819253803 632411435 /nfs/dbraw/zinc/41/14/35/632411435.db2.gz JAGYQFZTCCMMEB-UKRRQHHQSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@]23CCC[C@H]2OCC3)c1 ZINC000865859426 632923600 /nfs/dbraw/zinc/92/36/00/632923600.db2.gz OEHQGELEZUVFHR-KGLIPLIRSA-N 1 0 296.754 3.049 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCSC1 ZINC000866352158 633094638 /nfs/dbraw/zinc/09/46/38/633094638.db2.gz OXEVAHUQZDAAHO-MNOVXSKESA-N 1 0 298.383 3.008 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866365483 633103399 /nfs/dbraw/zinc/10/33/99/633103399.db2.gz HMHVGHLCLZQLEZ-SMDDNHRTSA-N 1 0 298.358 3.070 20 5 CGBDRO Cc1cncc([C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866540374 633184066 /nfs/dbraw/zinc/18/40/66/633184066.db2.gz MYMBRKOOOOEODG-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000866636841 633225125 /nfs/dbraw/zinc/22/51/25/633225125.db2.gz QFXLQXSCCLNEJB-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000825099102 633328585 /nfs/dbraw/zinc/32/85/85/633328585.db2.gz URCKBRDRDIEDKO-XPTSAGLGSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1c(CNc2[nH+]ccn2C2CC2)cccc1[N+](=O)[O-] ZINC000871864454 633901978 /nfs/dbraw/zinc/90/19/78/633901978.db2.gz XWWOBRWNAGZMTD-UHFFFAOYSA-N 1 0 272.308 3.047 20 5 CGBDRO CSCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872018778 633938877 /nfs/dbraw/zinc/93/88/77/633938877.db2.gz OZHCDKCVUDJLMA-SECBINFHSA-N 1 0 286.422 3.330 20 5 CGBDRO COCC[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031827 633950556 /nfs/dbraw/zinc/95/05/56/633950556.db2.gz UHJSKHQBJZFESK-GHMZBOCLSA-N 1 0 298.408 3.392 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C)COC1 ZINC000872033299 633951699 /nfs/dbraw/zinc/95/16/99/633951699.db2.gz BGVDYWZJKIULCM-JTQLQIEISA-N 1 0 296.392 3.004 20 5 CGBDRO CC[C@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872037351 633956640 /nfs/dbraw/zinc/95/66/40/633956640.db2.gz DOBBUBQONJDUJQ-WDEREUQCSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000872042661 633965867 /nfs/dbraw/zinc/96/58/67/633965867.db2.gz CTNJGWFUAKWQTM-MNOVXSKESA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@@H]([NH2+]C1CC=CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045347 633968134 /nfs/dbraw/zinc/96/81/34/633968134.db2.gz ZSFYZIWAHFAZIY-SECBINFHSA-N 1 0 250.273 3.103 20 5 CGBDRO C[C@H]([NH2+]CCCCF)c1c(F)cccc1[N+](=O)[O-] ZINC000872073601 633995296 /nfs/dbraw/zinc/99/52/96/633995296.db2.gz SMMJDLZRHNRGOH-VIFPVBQESA-N 1 0 258.268 3.134 20 5 CGBDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080169 634004095 /nfs/dbraw/zinc/00/40/95/634004095.db2.gz TUMQOIWCYLKPGS-KXUCPTDWSA-N 1 0 284.356 3.279 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872080229 634004539 /nfs/dbraw/zinc/00/45/39/634004539.db2.gz OUHIVFDWKUQVJI-WDEREUQCSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@@H]([NH2+][C@H]1COC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084025 634009562 /nfs/dbraw/zinc/00/95/62/634009562.db2.gz CRYBUMDCKBTFML-GHMZBOCLSA-N 1 0 294.326 3.096 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872129574 634050949 /nfs/dbraw/zinc/05/09/49/634050949.db2.gz MAVVGVZJLZZJBI-DVOMOZLQSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000873137633 634256351 /nfs/dbraw/zinc/25/63/51/634256351.db2.gz CSQSNZDUGVMGCJ-CYBMUJFWSA-N 1 0 284.306 3.347 20 5 CGBDRO CC(C)n1cc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000873183311 634273593 /nfs/dbraw/zinc/27/35/93/634273593.db2.gz DFYSALCEMRGYNV-LBPRGKRZSA-N 1 0 288.351 3.223 20 5 CGBDRO CC1(C)CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877057808 634965723 /nfs/dbraw/zinc/96/57/23/634965723.db2.gz PBLMJTGZQSDWIR-UHFFFAOYSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000877471837 635049536 /nfs/dbraw/zinc/04/95/36/635049536.db2.gz BTASHLGJJHKIPL-SNVBAGLBSA-N 1 0 289.162 3.187 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CS1 ZINC000840957791 635092944 /nfs/dbraw/zinc/09/29/44/635092944.db2.gz FCTJWGAYGFNYRQ-WPRPVWTQSA-N 1 0 286.784 3.232 20 5 CGBDRO Cc1ccc(CCC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000877729974 635165931 /nfs/dbraw/zinc/16/59/31/635165931.db2.gz IEUGRSMMDXTQQD-UHFFFAOYSA-N 1 0 299.374 3.329 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000877827560 635228348 /nfs/dbraw/zinc/22/83/48/635228348.db2.gz BNQOSUJYNZCRMD-JMSVASOKSA-N 1 0 280.368 3.307 20 5 CGBDRO CS[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000877827892 635230738 /nfs/dbraw/zinc/23/07/38/635230738.db2.gz ZDBBTGIODXZNDS-NDMJEZRESA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459823 635908417 /nfs/dbraw/zinc/90/84/17/635908417.db2.gz VBKVFOQKOCAEFU-TVYUQYBPSA-N 1 0 282.290 3.161 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880231917 635944363 /nfs/dbraw/zinc/94/43/63/635944363.db2.gz BGXVCJZZZUKSMD-GFCCVEGCSA-N 1 0 266.316 3.085 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880465973 636005673 /nfs/dbraw/zinc/00/56/73/636005673.db2.gz JUYGDEIEVZEIFH-SMDDNHRTSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1cc(F)ccc1[N+](=O)[O-])CCCC2 ZINC000130502431 636464985 /nfs/dbraw/zinc/46/49/85/636464985.db2.gz VNBZZLBKSUYDGT-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000883365054 636705941 /nfs/dbraw/zinc/70/59/41/636705941.db2.gz SNEOIUKBFSSYOA-CQSZACIVSA-N 1 0 290.363 3.095 20 5 CGBDRO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000883378645 636721488 /nfs/dbraw/zinc/72/14/88/636721488.db2.gz TYDYULZUEOVPNX-LBPRGKRZSA-N 1 0 290.363 3.205 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000850523834 637102214 /nfs/dbraw/zinc/10/22/14/637102214.db2.gz DCVOKWUZNDXAQP-STQMWFEESA-N 1 0 290.363 3.265 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850540114 637113548 /nfs/dbraw/zinc/11/35/48/637113548.db2.gz KSIONDAYPFYUNF-RNCFNFMXSA-N 1 0 263.341 3.016 20 5 CGBDRO CCSC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850553192 637119296 /nfs/dbraw/zinc/11/92/96/637119296.db2.gz TWAZMAVFDBJPCH-SNVBAGLBSA-N 1 0 295.408 3.113 20 5 CGBDRO CCC1(CC)CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886037179 637379340 /nfs/dbraw/zinc/37/93/40/637379340.db2.gz GOKIMGBYJOPJPT-UHFFFAOYSA-N 1 0 263.341 3.002 20 5 CGBDRO C[C@@H]1CC[C@]2(CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122463 637425218 /nfs/dbraw/zinc/42/52/18/637425218.db2.gz BJOJBKNJAMLORM-DOMZBBRYSA-N 1 0 275.352 3.002 20 5 CGBDRO CC(C)C1(C)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886146725 637435705 /nfs/dbraw/zinc/43/57/05/637435705.db2.gz ASCLSYHIDXSVCW-UHFFFAOYSA-N 1 0 277.368 3.248 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC2(CCCC2)C1 ZINC000886159986 637441726 /nfs/dbraw/zinc/44/17/26/637441726.db2.gz HOFJWLYMACUSIT-UHFFFAOYSA-N 1 0 275.352 3.146 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886211762 637459698 /nfs/dbraw/zinc/45/96/98/637459698.db2.gz XGWKWQTYPJSHIT-LLVKDONJSA-N 1 0 251.330 3.000 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000852292969 637628400 /nfs/dbraw/zinc/62/84/00/637628400.db2.gz KDSQYWVWAFOVRA-JTQLQIEISA-N 1 0 254.305 3.354 20 5 CGBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852355751 637642671 /nfs/dbraw/zinc/64/26/71/637642671.db2.gz ZRLDIZNWIWAXOO-RISCZKNCSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886701449 637662931 /nfs/dbraw/zinc/66/29/31/637662931.db2.gz PUZHLUWZAHRMSQ-IUODEOHRSA-N 1 0 290.363 3.205 20 5 CGBDRO COC/C(C)=C/CN(Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000930061893 638971772 /nfs/dbraw/zinc/97/17/72/638971772.db2.gz VDXCVFMQDHBTDN-UKTHLTGXSA-N 1 0 290.363 3.152 20 5 CGBDRO C[C@@H]([NH2+]CCCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000930207781 638982955 /nfs/dbraw/zinc/98/29/55/638982955.db2.gz FPBFUCVBFGXIAW-CYBMUJFWSA-N 1 0 285.347 3.273 20 5 CGBDRO Cc1c(C[NH2+]CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000035648715 639016940 /nfs/dbraw/zinc/01/69/40/639016940.db2.gz BBCDXTAGOXGWKO-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO CC(C)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000193043546 640428546 /nfs/dbraw/zinc/42/85/46/640428546.db2.gz KAKJIKOVGRSFSO-UHFFFAOYSA-N 1 0 252.289 3.107 20 5 CGBDRO CC(C)C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000094774646 640802594 /nfs/dbraw/zinc/80/25/94/640802594.db2.gz CFBWAHNHIIKHEG-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773911 640802685 /nfs/dbraw/zinc/80/26/85/640802685.db2.gz ANNXXHIIJDXVSG-CYBMUJFWSA-N 1 0 266.316 3.402 20 5 CGBDRO CC(C)CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774479 640802776 /nfs/dbraw/zinc/80/27/76/640802776.db2.gz OTUZQYQGWMLJOI-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO C[N@H+](Cc1ccccc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774168 640802869 /nfs/dbraw/zinc/80/28/69/640802869.db2.gz JHAURPVJXCNPPL-UHFFFAOYSA-N 1 0 274.295 3.366 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cccc([N+](=O)[O-])n1 ZINC001158731513 805991889 /nfs/dbraw/zinc/99/18/89/805991889.db2.gz YCRZDXBFGAKXPC-ZDUSSCGKSA-N 1 0 298.346 3.230 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(C[NH3+])cc1 ZINC001159484440 806110893 /nfs/dbraw/zinc/11/08/93/806110893.db2.gz VOAUTVBFIHRDBV-UHFFFAOYSA-N 1 0 257.293 3.106 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2ccc3c(c2)CC[NH2+]C3)cc1 ZINC001159600274 806127591 /nfs/dbraw/zinc/12/75/91/806127591.db2.gz GBMYBEPIWHMCAU-CSKARUKUSA-N 1 0 295.342 3.323 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC001159682416 806149537 /nfs/dbraw/zinc/14/95/37/806149537.db2.gz WLIPGRPKLIFQDT-UHFFFAOYSA-N 1 0 297.358 3.335 20 5 CGBDRO CC[NH2+]Cc1cccc(Nc2ccc([N+](=O)[O-])cc2)c1 ZINC001159955401 806203349 /nfs/dbraw/zinc/20/33/49/806203349.db2.gz GHRODPSSDLGNPQ-UHFFFAOYSA-N 1 0 271.320 3.448 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC(F)(F)C1 ZINC001254533297 806445205 /nfs/dbraw/zinc/44/52/05/806445205.db2.gz ZXZNZCBXQSFLMO-CMPLNLGQSA-N 1 0 284.306 3.303 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccc(N)cc1 ZINC001254539264 806446702 /nfs/dbraw/zinc/44/67/02/806446702.db2.gz CIQCACFTGSVSKT-QWHCGFSZSA-N 1 0 299.374 3.459 20 5 CGBDRO Cc1cccc(C(=[NH2+])N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254544667 806446854 /nfs/dbraw/zinc/44/68/54/806446854.db2.gz XIGAIPSILMWLCS-ZDUSSCGKSA-N 1 0 297.358 3.449 20 5 CGBDRO CCCC[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550589 806448033 /nfs/dbraw/zinc/44/80/33/806448033.db2.gz MNBBJZWWZWNQNC-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC2)CC1 ZINC001254553286 806450147 /nfs/dbraw/zinc/45/01/47/806450147.db2.gz ULVDOTQRLJJFKA-CYBMUJFWSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC001254561305 806450893 /nfs/dbraw/zinc/45/08/93/806450893.db2.gz GHZALFBMVFRISM-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO CCC[NH+](CCC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596750 806457041 /nfs/dbraw/zinc/45/70/41/806457041.db2.gz FXKFXTFCHNMXQA-OAHLLOKOSA-N 1 0 262.353 3.184 20 5 CGBDRO CCC(CC)C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254569838 806452765 /nfs/dbraw/zinc/45/27/65/806452765.db2.gz ZLFJBLCYYPANPF-CQSZACIVSA-N 1 0 262.353 3.088 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001254568826 806453364 /nfs/dbraw/zinc/45/33/64/806453364.db2.gz UOBBMKZYHRLWJK-ZDUSSCGKSA-N 1 0 288.372 3.222 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@@H]3CCC[C@@H]31)C2 ZINC001254604008 806460247 /nfs/dbraw/zinc/46/02/47/806460247.db2.gz SAPNOXLRMDBGSQ-VUCTXSBTSA-N 1 0 286.375 3.327 20 5 CGBDRO Cc1cccc(-n2c3ccccc3nc2[C@H](C)[NH3+])c1[N+](=O)[O-] ZINC001162767651 806662159 /nfs/dbraw/zinc/66/21/59/806662159.db2.gz ZRBFNLGCNLBLHH-NSHDSACASA-N 1 0 296.330 3.262 20 5 CGBDRO Cc1cnc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)cc1[N+](=O)[O-] ZINC001162907761 806683140 /nfs/dbraw/zinc/68/31/40/806683140.db2.gz GWHVUYMGNFIUGI-LLVKDONJSA-N 1 0 296.330 3.262 20 5 CGBDRO C[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037910714 798879876 /nfs/dbraw/zinc/87/98/76/798879876.db2.gz KGQYYBFKPVGNTA-VIFPVBQESA-N 1 0 254.717 3.233 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402313878 799561870 /nfs/dbraw/zinc/56/18/70/799561870.db2.gz QSXLUAGVSLGVTK-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000403518448 799567339 /nfs/dbraw/zinc/56/73/39/799567339.db2.gz PFTUHVJGVFAZMS-LQDVMPOASA-N 1 0 292.404 3.154 20 5 CGBDRO C[N@@H+]1CCC[C@H](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001163459541 806766534 /nfs/dbraw/zinc/76/65/34/806766534.db2.gz GRLGCTORSMUBLI-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000688295849 799747236 /nfs/dbraw/zinc/74/72/36/799747236.db2.gz FAFYADPLSHBPFH-GFCCVEGCSA-N 1 0 296.754 3.049 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000694000819 799819593 /nfs/dbraw/zinc/81/95/93/799819593.db2.gz BPSPVQJPZRCCLE-UHFFFAOYSA-N 1 0 272.295 3.366 20 5 CGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(F)F ZINC000697117853 799844444 /nfs/dbraw/zinc/84/44/44/799844444.db2.gz MKZXPKXLUUTQIF-UHFFFAOYSA-N 1 0 286.322 3.408 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711682870 800069017 /nfs/dbraw/zinc/06/90/17/800069017.db2.gz AKFUDIFQIUYTMO-SNVBAGLBSA-N 1 0 266.728 3.304 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000715882181 800151405 /nfs/dbraw/zinc/15/14/05/800151405.db2.gz PHXHQIZJKSNVAI-ZDUSSCGKSA-N 1 0 280.393 3.279 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000715929192 800153819 /nfs/dbraw/zinc/15/38/19/800153819.db2.gz BUUHBRSMHQJTHS-VHSXEESVSA-N 1 0 277.349 3.463 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000716896602 800184859 /nfs/dbraw/zinc/18/48/59/800184859.db2.gz WOQUDYMRHVROSE-UXIGCNINSA-N 1 0 280.368 3.185 20 5 CGBDRO C[C@H]1[C@@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000719597929 800244204 /nfs/dbraw/zinc/24/42/04/800244204.db2.gz GBLVTHHFBLTRDO-KWQFWETISA-N 1 0 285.294 3.037 20 5 CGBDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000721193234 800280039 /nfs/dbraw/zinc/28/00/39/800280039.db2.gz HBDRKXOKFCOASZ-KGLIPLIRSA-N 1 0 278.352 3.032 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000829426077 800485134 /nfs/dbraw/zinc/48/51/34/800485134.db2.gz DQQAZVQDWDVJJY-CQDKDKBSSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001120366896 802742218 /nfs/dbraw/zinc/74/22/18/802742218.db2.gz XQFRDVONFADCCM-ISTVAULSSA-N 1 0 264.325 3.053 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001168957405 807541792 /nfs/dbraw/zinc/54/17/92/807541792.db2.gz HHRYWYDLQYUSGU-JGGQBBKZSA-N 1 0 274.364 3.099 20 5 CGBDRO Cc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968236 807543517 /nfs/dbraw/zinc/54/35/17/807543517.db2.gz XTCDJLIOSPWGDU-SMDDNHRTSA-N 1 0 282.771 3.183 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC001168976253 807544920 /nfs/dbraw/zinc/54/49/20/807544920.db2.gz CADRXPWMDBRGAX-KAOXEZKKSA-N 1 0 294.782 3.231 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983343 807546815 /nfs/dbraw/zinc/54/68/15/807546815.db2.gz JLYJDVBUYQBLRZ-GLQYFDAESA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC001168990864 807548249 /nfs/dbraw/zinc/54/82/49/807548249.db2.gz FCXUVOGHQYFWNM-WPGHFRTFSA-N 1 0 292.354 3.238 20 5 CGBDRO Cc1ccccc1C(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998226 807548841 /nfs/dbraw/zinc/54/88/41/807548841.db2.gz KDRJVHMMROSKBX-ZIAGYGMSSA-N 1 0 276.380 3.265 20 5 CGBDRO Cc1cccc(C(C)(C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168995192 807549502 /nfs/dbraw/zinc/54/95/02/807549502.db2.gz RXCVJIOCKQGVKC-ZFWWWQNUSA-N 1 0 276.380 3.265 20 5 CGBDRO CC(C)(C)C1CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169008696 807551656 /nfs/dbraw/zinc/55/16/56/807551656.db2.gz UCPYGURJIQCJAY-GXTWGEPZSA-N 1 0 268.401 3.190 20 5 CGBDRO CC[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009039 807551836 /nfs/dbraw/zinc/55/18/36/807551836.db2.gz UMPJDMGKDGGBNX-TZMCWYRMSA-N 1 0 254.374 3.086 20 5 CGBDRO CC[N@H+](Cc1ccc(F)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040148 807556994 /nfs/dbraw/zinc/55/69/94/807556994.db2.gz YGQHAJYCZUMDRU-UKRRQHHQSA-N 1 0 280.343 3.093 20 5 CGBDRO CCCC[NH+](CCCC)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038099 807557590 /nfs/dbraw/zinc/55/75/90/807557590.db2.gz VIIVNYKRXVZYLY-KGLIPLIRSA-N 1 0 256.390 3.334 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)[C@@H]1CCc2ccccc21 ZINC001169053945 807561441 /nfs/dbraw/zinc/56/14/41/807561441.db2.gz KRSLMVRVEAZAAO-JGGQBBKZSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(NCC23CC[NH+](CC2)CC3)c1 ZINC001169796650 807709743 /nfs/dbraw/zinc/70/97/43/807709743.db2.gz RMSFGKGCBJEYMI-UHFFFAOYSA-N 1 0 295.770 3.146 20 5 CGBDRO COc1ccc(C[C@H](C)[NH+]2CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001170334467 807827204 /nfs/dbraw/zinc/82/72/04/807827204.db2.gz FEFCQIDHKLLCCC-LBPRGKRZSA-N 1 0 290.363 3.020 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1C[C@H]3CC[C@@H]1C3)CC2 ZINC001172914515 808477557 /nfs/dbraw/zinc/47/75/57/808477557.db2.gz HFHREDVMURBOMP-VBNZEHGJSA-N 1 0 286.375 3.327 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC2CC2)c1F ZINC001173188137 808533151 /nfs/dbraw/zinc/53/31/51/808533151.db2.gz IPMJBRBNMCEKJU-SNVBAGLBSA-N 1 0 296.342 3.063 20 5 CGBDRO CCC[C@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173182736 808533779 /nfs/dbraw/zinc/53/37/79/808533779.db2.gz TYWXXDCSPWFPLW-QWRGUYRKSA-N 1 0 298.358 3.452 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1F ZINC001173210888 808537400 /nfs/dbraw/zinc/53/74/00/808537400.db2.gz PAKXYJKHEGTCHH-KCPJHIHWSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2cccnc2)CC1 ZINC001173217921 808538549 /nfs/dbraw/zinc/53/85/49/808538549.db2.gz HKDAYSQYWHWOGC-ZDUSSCGKSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cc1 ZINC001173213075 808539018 /nfs/dbraw/zinc/53/90/18/808539018.db2.gz DLBQCBHKQCVVSU-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](CF)C1 ZINC001173228846 808541402 /nfs/dbraw/zinc/54/14/02/808541402.db2.gz ZKEYYIKFCDWFGZ-JSGCOSHPSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC12CC2 ZINC001173229946 808542512 /nfs/dbraw/zinc/54/25/12/808542512.db2.gz WKLSJHJRXOPVBA-LBPRGKRZSA-N 1 0 260.337 3.154 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CCC2)C1 ZINC001173233988 808542998 /nfs/dbraw/zinc/54/29/98/808542998.db2.gz NOPMPEXLNZHFFG-CYBMUJFWSA-N 1 0 274.364 3.402 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CC1(C)C ZINC001174908028 809196687 /nfs/dbraw/zinc/19/66/87/809196687.db2.gz WMJFRZIDYKOXLU-NSHDSACASA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC001175103297 809272667 /nfs/dbraw/zinc/27/26/67/809272667.db2.gz IFSAIHZEZJCOGN-BBRMVZONSA-N 1 0 290.363 3.238 20 5 CGBDRO CN(C)c1cc[nH+]cc1Nc1ccc(/C=C/[N+](=O)[O-])cc1 ZINC001175899241 809566821 /nfs/dbraw/zinc/56/68/21/809566821.db2.gz QEKKIVJADPHKIW-CSKARUKUSA-N 1 0 284.319 3.139 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc3[nH]cnc3c2)cc1[N+](=O)[O-] ZINC001179391714 809919031 /nfs/dbraw/zinc/91/90/31/809919031.db2.gz XFOYJPVCESHSSD-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO CSCCC[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001181153795 810041184 /nfs/dbraw/zinc/04/11/84/810041184.db2.gz HFSQSWVJOSEGIY-UHFFFAOYSA-N 1 0 282.409 3.397 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC001183345201 810145658 /nfs/dbraw/zinc/14/56/58/810145658.db2.gz GFFWNTNPZZMCKX-KGLIPLIRSA-N 1 0 262.353 3.427 20 5 CGBDRO CCCC[N@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185314706 810256178 /nfs/dbraw/zinc/25/61/78/810256178.db2.gz YZMQDRFIENRNMM-UHFFFAOYSA-N 1 0 271.386 3.109 20 5 CGBDRO CCc1cc(Nc2ccc(C)cc2[N+](=O)[O-])cc[nH+]1 ZINC001214169611 815375793 /nfs/dbraw/zinc/37/57/93/815375793.db2.gz VVYKDUCVCYIODO-UHFFFAOYSA-N 1 0 257.293 3.026 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001195148271 811216433 /nfs/dbraw/zinc/21/64/33/811216433.db2.gz UNNDMHJXISSELM-AWEZNQCLSA-N 1 0 290.363 3.096 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1c[nH+]ccc1N(C)C ZINC001211285731 814869886 /nfs/dbraw/zinc/86/98/86/814869886.db2.gz JHVUMINBNWMHTI-UHFFFAOYSA-N 1 0 272.308 3.108 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCCC[NH2+]C1 ZINC001217973012 816025800 /nfs/dbraw/zinc/02/58/00/816025800.db2.gz XDBISJUWOCFJGC-SNVBAGLBSA-N 1 0 284.743 3.078 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC001217987976 816034995 /nfs/dbraw/zinc/03/49/95/816034995.db2.gz JCIWWKWMHARTNI-GXFFZTMASA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CCC[NH2+]CC1 ZINC001217996227 816041779 /nfs/dbraw/zinc/04/17/79/816041779.db2.gz XSGSVXCQHYNCDM-JTQLQIEISA-N 1 0 284.743 3.078 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H](C)C1CC[NH2+]CC1 ZINC001218003572 816046118 /nfs/dbraw/zinc/04/61/18/816046118.db2.gz YNNVKELPJQHWRW-JTQLQIEISA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218084931 816090421 /nfs/dbraw/zinc/09/04/21/816090421.db2.gz LMKYSUVFUJREKP-HNNXBMFYSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@H]1CC[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C[NH2+]1 ZINC001218397347 816190900 /nfs/dbraw/zinc/19/09/00/816190900.db2.gz CXNDSLWQKAXDFJ-WCQYABFASA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@@H]1CC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218399779 816192375 /nfs/dbraw/zinc/19/23/75/816192375.db2.gz RRGOCELXJYBDEL-DGCLKSJQSA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@@H]1CC[C@H](Oc2cccc3nc4ccccc4nc32)C[NH2+]1 ZINC001218405276 816197969 /nfs/dbraw/zinc/19/79/69/816197969.db2.gz LSETWKIGWPYRMR-OLZOCXBDSA-N 1 0 293.370 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)c2ccccc21 ZINC001218475038 816232673 /nfs/dbraw/zinc/23/26/73/816232673.db2.gz XSRGOMKMFKMUAI-PZSREKOKSA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2C[NH2+]Cc3ccccc32)c1 ZINC001218484729 816239722 /nfs/dbraw/zinc/23/97/22/816239722.db2.gz UNDSKAJTEYCPBO-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO CC(C)c1cccc(CO[C@H](C)C[N+](C)(C)C)c1 ZINC001223948630 816709351 /nfs/dbraw/zinc/70/93/51/816709351.db2.gz NTIDFPIRCGMKAV-CQSZACIVSA-N 1 0 250.406 3.421 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1ccccc1OC(F)(F)F ZINC001224775466 816878121 /nfs/dbraw/zinc/87/81/21/816878121.db2.gz LMUBUMBBBIVMNW-LLVKDONJSA-N 1 0 292.321 3.369 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC001225231127 816971230 /nfs/dbraw/zinc/97/12/30/816971230.db2.gz HWOUAZOLXKHWOF-SECBINFHSA-N 1 0 263.188 3.467 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(Br)c1 ZINC001225508392 817078745 /nfs/dbraw/zinc/07/87/45/817078745.db2.gz PLHRMMWTWKSEON-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc2ccccc2cc1O ZINC001225736933 817161759 /nfs/dbraw/zinc/16/17/59/817161759.db2.gz HFWPUNZXJCJOPZ-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ccc1Br ZINC001225752202 817167958 /nfs/dbraw/zinc/16/79/58/817167958.db2.gz BEDXBUPDKIPMGG-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1OC1CC[NH+](C)CC1 ZINC001226990585 817526834 /nfs/dbraw/zinc/52/68/34/817526834.db2.gz VGLPLQUOOWIEMB-UHFFFAOYSA-N 1 0 284.743 3.030 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ccc(Cl)nc21 ZINC001227115537 817562261 /nfs/dbraw/zinc/56/22/61/817562261.db2.gz KTLFLYPUVDFNHO-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Cl)c2ccccc12 ZINC001227172769 817579769 /nfs/dbraw/zinc/57/97/69/817579769.db2.gz HQLBRHOUCYHZMI-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cc(C)c(OC2CN(C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001228229613 817845218 /nfs/dbraw/zinc/84/52/18/817845218.db2.gz JTBQPFSXNRQSOW-UHFFFAOYSA-N 1 0 278.352 3.073 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c2ccccc2n1 ZINC001228236798 817845828 /nfs/dbraw/zinc/84/58/28/817845828.db2.gz KMDVSEYCPQMQLB-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC001228570625 817941283 /nfs/dbraw/zinc/94/12/83/817941283.db2.gz GCJMMZVOFFEMNW-CQSZACIVSA-N 1 0 278.352 3.075 20 5 CGBDRO CSc1ccc(C)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234239674 818812041 /nfs/dbraw/zinc/81/20/41/818812041.db2.gz WSVWSKLMDPFMEO-GFCCVEGCSA-N 1 0 254.419 3.190 20 5 CGBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(C)c1Cl ZINC001234942223 818959062 /nfs/dbraw/zinc/95/90/62/818959062.db2.gz IOGIXMGHDMTGDD-LLVKDONJSA-N 1 0 256.797 3.430 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOc1ccccc1 ZINC000049825167 927602846 /nfs/dbraw/zinc/60/28/46/927602846.db2.gz OIORWINGMVZVSE-UHFFFAOYSA-N 1 0 286.331 3.154 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001459982442 937509367 /nfs/dbraw/zinc/50/93/67/937509367.db2.gz GXDOTFSDOIFWRM-GXTWGEPZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O[C@H]2CCCCO2)cc1 ZINC001229042599 932079784 /nfs/dbraw/zinc/07/97/84/932079784.db2.gz WXDYTASDRNVYEX-YOEHRIQHSA-N 1 0 294.415 3.066 20 5 CGBDRO C[C@H]1CC(C)(C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001461161598 937566662 /nfs/dbraw/zinc/56/66/62/937566662.db2.gz UMKFYJWHYQWMPI-SWLSCSKDSA-N 1 0 292.379 3.388 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001229199932 932114957 /nfs/dbraw/zinc/11/49/57/932114957.db2.gz BKESWVJSLUVDMZ-JOCQHMNTSA-N 1 0 296.342 3.294 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC001229375918 932141846 /nfs/dbraw/zinc/14/18/46/932141846.db2.gz BPKNHGGOQWQMFL-GDNZZTSVSA-N 1 0 296.754 3.252 20 5 CGBDRO Cc1cc(OC2CCC([NH+](C)C)CC2)cc(C)c1[N+](=O)[O-] ZINC001229470962 932157175 /nfs/dbraw/zinc/15/71/75/932157175.db2.gz XGEOOHQMYIKABL-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC001461639157 937590139 /nfs/dbraw/zinc/59/01/39/937590139.db2.gz ZZGBOOONXLTWIL-OCCSQVGLSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229880378 932497722 /nfs/dbraw/zinc/49/77/22/932497722.db2.gz BXIPMHGYQBQONG-BTTYYORXSA-N 1 0 290.363 3.216 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1-c1ccccn1 ZINC001230321372 932558767 /nfs/dbraw/zinc/55/87/67/932558767.db2.gz KTPSZHFXILPEGO-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[N@@H+](C)CC1 ZINC001230723600 932615084 /nfs/dbraw/zinc/61/50/84/932615084.db2.gz LZFFMIMYOQHFTN-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001307149251 932769588 /nfs/dbraw/zinc/76/95/88/932769588.db2.gz DEXVMINSWWIYBM-UONOGXRCSA-N 1 0 277.368 3.044 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)ccc1[N+](=O)[O-] ZINC001307149252 932769919 /nfs/dbraw/zinc/76/99/19/932769919.db2.gz DEXVMINSWWIYBM-ZIAGYGMSSA-N 1 0 277.368 3.044 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC001307633657 932978895 /nfs/dbraw/zinc/97/88/95/932978895.db2.gz IYIRBTMQFSFWMD-IMJJTQAJSA-N 1 0 290.363 3.062 20 5 CGBDRO CC[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001308958739 933212810 /nfs/dbraw/zinc/21/28/10/933212810.db2.gz MAAVGVPSWHFPEW-OUCADQQQSA-N 1 0 262.353 3.477 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC001318387485 933719681 /nfs/dbraw/zinc/71/96/81/933719681.db2.gz ZJHJRKVEYCYLCK-YPMHNXCESA-N 1 0 281.331 3.019 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@H]1N(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001322643608 934325936 /nfs/dbraw/zinc/32/59/36/934325936.db2.gz SHZUMUFELFFLGH-APHBMKBZSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1cc(OCc2c(F)cccc2[N+](=O)[O-])ccn1 ZINC001324570544 934524551 /nfs/dbraw/zinc/52/45/51/934524551.db2.gz IKCXAIRZVAVYIR-UHFFFAOYSA-N 1 0 262.240 3.016 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC001473403105 937805260 /nfs/dbraw/zinc/80/52/60/937805260.db2.gz QSJQWNYCAXIEGQ-GHMZBOCLSA-N 1 0 289.335 3.356 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC001473724232 937819153 /nfs/dbraw/zinc/81/91/53/937819153.db2.gz QETDNOPLCWSTEZ-BETUJISGSA-N 1 0 288.347 3.001 20 5 CGBDRO Cc1cccnc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001333877275 936073545 /nfs/dbraw/zinc/07/35/45/936073545.db2.gz WUPRJBLHQVMPBH-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001335781466 936160062 /nfs/dbraw/zinc/16/00/62/936160062.db2.gz RGUCOMTUNOSBJN-JTQLQIEISA-N 1 0 291.376 3.046 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC001474147930 937841814 /nfs/dbraw/zinc/84/18/14/937841814.db2.gz HEPCDXORCWTQLR-KBPBESRZSA-N 1 0 262.353 3.285 20 5 CGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001559236797 938223254 /nfs/dbraw/zinc/22/32/54/938223254.db2.gz SVMCSKUXAJSEQY-CYBMUJFWSA-N 1 0 277.368 3.127 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000217886350 957868575 /nfs/dbraw/zinc/86/85/75/957868575.db2.gz QSNUUEWGBVKWSA-LSDHHAIUSA-N 1 0 292.379 3.196 20 5 CGBDRO CC(C)(C)OC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000119111188 370645699 /nfs/dbraw/zinc/64/56/99/370645699.db2.gz HWAHMMPMTDLVKM-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000338016206 214362049 /nfs/dbraw/zinc/36/20/49/214362049.db2.gz JEALYGBNHDJORH-DOMZBBRYSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@](C)(C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000449478112 529499467 /nfs/dbraw/zinc/49/94/67/529499467.db2.gz QSJQKYNYPNMMNH-OVHOFWQVSA-N 1 0 292.379 3.403 20 5 CGBDRO CC[C@@H](F)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000440603206 529554140 /nfs/dbraw/zinc/55/41/40/529554140.db2.gz YEIZVRXRYBCTDJ-DGCLKSJQSA-N 1 0 254.305 3.384 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)C(C)C ZINC000591255979 346912133 /nfs/dbraw/zinc/91/21/33/346912133.db2.gz YAIXQCCECIJIKU-KCXAZCMYSA-N 1 0 294.395 3.349 20 5 CGBDRO CC[C@H]([NH2+]CCN(CC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000155868850 529600762 /nfs/dbraw/zinc/60/07/62/529600762.db2.gz XEZNBJJPXFCDOU-INIZCTEOSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000449204646 529666060 /nfs/dbraw/zinc/66/60/60/529666060.db2.gz JWMVTFZZCXQHOH-INWMFGNUSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)CC(F)F ZINC000592372539 346979624 /nfs/dbraw/zinc/97/96/24/346979624.db2.gz IZLSFEQECQJZDN-SSDOTTSWSA-N 1 0 264.297 3.037 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@@H]1C ZINC000592380926 346981867 /nfs/dbraw/zinc/98/18/67/346981867.db2.gz VDXPIZDRFZKVFO-ZZUQXNNYSA-N 1 0 292.404 3.482 20 5 CGBDRO C[N@H+](CCCCNc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000413350578 529883763 /nfs/dbraw/zinc/88/37/63/529883763.db2.gz XAXMZEQJVCARSS-UHFFFAOYSA-N 1 0 299.321 3.159 20 5 CGBDRO CC[C@@H]1CN([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC[C@@H]1[NH3+] ZINC000592488658 346992980 /nfs/dbraw/zinc/99/29/80/346992980.db2.gz KXFWETPNMLOSTP-IOASZLSFSA-N 1 0 291.395 3.023 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CCC3)CC2)c(F)c1 ZINC000593080387 347036760 /nfs/dbraw/zinc/03/67/60/347036760.db2.gz MLUFSGSYRJOFAV-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO CC(C)C[N@H+](C)CCCN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000593181787 347048741 /nfs/dbraw/zinc/04/87/41/347048741.db2.gz IERQFMYQZFHNCW-AWEZNQCLSA-N 1 0 293.411 3.223 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079369 344954695 /nfs/dbraw/zinc/95/46/95/344954695.db2.gz ISFLPBXTSAHYQQ-SWLSCSKDSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1ccc(N[C@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000037059661 344946733 /nfs/dbraw/zinc/94/67/33/344946733.db2.gz LZGQJGGRHJSOIV-GFCCVEGCSA-N 1 0 277.368 3.045 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000037404439 344950056 /nfs/dbraw/zinc/95/00/56/344950056.db2.gz FAPZDQVUKXQYOG-SNVBAGLBSA-N 1 0 295.770 3.144 20 5 CGBDRO CCCC[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051266779 345088478 /nfs/dbraw/zinc/08/84/78/345088478.db2.gz LMWBQUDMFLSKJJ-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C1CC1)C1CC1 ZINC000065243244 345270225 /nfs/dbraw/zinc/27/02/25/345270225.db2.gz DAKZKSIZJQPSPF-UHFFFAOYSA-N 1 0 274.364 3.258 20 5 CGBDRO CCCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065537838 345274207 /nfs/dbraw/zinc/27/42/07/345274207.db2.gz QCELWQLINOUXBC-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(CF)CC1 ZINC000295111812 199351162 /nfs/dbraw/zinc/35/11/62/199351162.db2.gz IPJKBUXVYNJONO-NSHDSACASA-N 1 0 266.316 3.337 20 5 CGBDRO COCC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075740469 345521759 /nfs/dbraw/zinc/52/17/59/345521759.db2.gz YOIQXEDLNGDIRG-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076059332 345531794 /nfs/dbraw/zinc/53/17/94/345531794.db2.gz DKMGGNHPUGYCEV-KBPBESRZSA-N 1 0 291.395 3.072 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000076059329 345531856 /nfs/dbraw/zinc/53/18/56/345531856.db2.gz DKMGGNHPUGYCEV-UONOGXRCSA-N 1 0 291.395 3.072 20 5 CGBDRO CCOC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075645249 345517536 /nfs/dbraw/zinc/51/75/36/345517536.db2.gz FGDQRBLEMYHCST-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1c(C[N@H+](C)Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000080918267 345689084 /nfs/dbraw/zinc/68/90/84/345689084.db2.gz NXBOKHAUUWXGMI-UHFFFAOYSA-N 1 0 286.331 3.241 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000090590104 345791738 /nfs/dbraw/zinc/79/17/38/345791738.db2.gz HZDVXENUFQTWSJ-YPMHNXCESA-N 1 0 280.368 3.043 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccsc1 ZINC000120554889 345998033 /nfs/dbraw/zinc/99/80/33/345998033.db2.gz PNDLXOJSCMAUAP-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295124501 199358242 /nfs/dbraw/zinc/35/82/42/199358242.db2.gz ZBBHJAFZJWLPKK-BXUZGUMPSA-N 1 0 280.368 3.103 20 5 CGBDRO CS[C@@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235163643 346334194 /nfs/dbraw/zinc/33/41/94/346334194.db2.gz QBHUCLJHWXBXHT-UKRRQHHQSA-N 1 0 294.420 3.401 20 5 CGBDRO Cc1c(C[NH2+]CC2CCSCC2)cccc1[N+](=O)[O-] ZINC000229261156 346316917 /nfs/dbraw/zinc/31/69/17/346316917.db2.gz HAJUULIUISHZIQ-UHFFFAOYSA-N 1 0 280.393 3.136 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000310775632 346472068 /nfs/dbraw/zinc/47/20/68/346472068.db2.gz DQGNBWGAFUTBBE-OPQQBVKSSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593722521 347108758 /nfs/dbraw/zinc/10/87/58/347108758.db2.gz SXJMQUKMLGVPAW-BLLLJJGKSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594493984 347177337 /nfs/dbraw/zinc/17/73/37/347177337.db2.gz CXLPJDFJIPUIES-DGCLKSJQSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000594496169 347178672 /nfs/dbraw/zinc/17/86/72/347178672.db2.gz ITHSJYGBALQPAG-DGCLKSJQSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(F)F ZINC000594508207 347182310 /nfs/dbraw/zinc/18/23/10/347182310.db2.gz SJBQAQNFJRCOES-SKDRFNHKSA-N 1 0 284.306 3.463 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594516257 347186267 /nfs/dbraw/zinc/18/62/67/347186267.db2.gz VFIZGXASMMNZGQ-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO CC(C)(C)OCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594977494 347247270 /nfs/dbraw/zinc/24/72/70/347247270.db2.gz RVGYPFGYFCVKPZ-TWGQIWQCSA-N 1 0 292.379 3.403 20 5 CGBDRO CCSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000594986265 347249410 /nfs/dbraw/zinc/24/94/10/347249410.db2.gz BLGGSMPPAIMWFV-UHFFFAOYSA-N 1 0 284.356 3.109 20 5 CGBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595327996 347293332 /nfs/dbraw/zinc/29/33/32/347293332.db2.gz TXSFNASOSCXONP-YUSALJHKSA-N 1 0 279.340 3.044 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000595413658 347299186 /nfs/dbraw/zinc/29/91/86/347299186.db2.gz FFHPFPAUCPGSNN-MHDGFBEUSA-N 1 0 260.337 3.292 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC=CCC1 ZINC000595018749 347258869 /nfs/dbraw/zinc/25/88/69/347258869.db2.gz FYTJQIFGOKBABR-RYUDHWBXSA-N 1 0 276.336 3.363 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000595023788 347260430 /nfs/dbraw/zinc/26/04/30/347260430.db2.gz UCRJDKRLAQDLQJ-LLVKDONJSA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(C)(F)F ZINC000595039753 347266315 /nfs/dbraw/zinc/26/63/15/347266315.db2.gz CBYNUJVJRILNBD-SECBINFHSA-N 1 0 288.294 3.299 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595598868 347323578 /nfs/dbraw/zinc/32/35/78/347323578.db2.gz IJNPUHAODDQCBT-SNVBAGLBSA-N 1 0 254.305 3.354 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781952 347355318 /nfs/dbraw/zinc/35/53/18/347355318.db2.gz WZWSHPRJOKVGAF-RDBSUJKOSA-N 1 0 292.379 3.464 20 5 CGBDRO Cc1noc(C[NH2+][C@H]2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595429438 347302189 /nfs/dbraw/zinc/30/21/89/347302189.db2.gz NSOAVNLDZCDJEU-NEPJUHHUSA-N 1 0 281.356 3.196 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440742 347303643 /nfs/dbraw/zinc/30/36/43/347303643.db2.gz GTBIEDRJKVXHSW-MFKMUULPSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595523563 347316071 /nfs/dbraw/zinc/31/60/71/347316071.db2.gz SUPZKZVIFVDJPT-SNVBAGLBSA-N 1 0 266.316 3.497 20 5 CGBDRO COCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000595912034 347371754 /nfs/dbraw/zinc/37/17/54/347371754.db2.gz WGCLKVLNDBEBML-UHFFFAOYSA-N 1 0 292.379 3.076 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596091395 347382603 /nfs/dbraw/zinc/38/26/03/347382603.db2.gz JHMMVNIAXPVJAI-SNVBAGLBSA-N 1 0 295.770 3.205 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000597159696 347542418 /nfs/dbraw/zinc/54/24/18/347542418.db2.gz QLCIUSPQNFZZNJ-QKNOVVFDSA-N 1 0 272.348 3.482 20 5 CGBDRO CSCCCN(C)c1ccc2cnccc2c1[N+](=O)[O-] ZINC000599074393 347714647 /nfs/dbraw/zinc/71/46/47/347714647.db2.gz LKUPNZUYMCVFFO-UHFFFAOYSA-N 1 0 291.376 3.332 20 5 CGBDRO C/C=C\C[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000599080521 347715214 /nfs/dbraw/zinc/71/52/14/347715214.db2.gz HBWOUBGTKWREJT-QZPNVGJNSA-N 1 0 264.325 3.220 20 5 CGBDRO CCO[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599351195 347738066 /nfs/dbraw/zinc/73/80/66/347738066.db2.gz YYKHUXQXXBDACV-ABAIWWIYSA-N 1 0 278.352 3.061 20 5 CGBDRO CCO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000599351197 347738320 /nfs/dbraw/zinc/73/83/20/347738320.db2.gz YYKHUXQXXBDACV-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc([C@H]3CCC[NH2+]3)cc2)cn1 ZINC000600788578 347836172 /nfs/dbraw/zinc/83/61/72/347836172.db2.gz LHVGLKBDDNMHLJ-CQSZACIVSA-N 1 0 269.304 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CC3)c(F)c1 ZINC000601138746 347873725 /nfs/dbraw/zinc/87/37/25/347873725.db2.gz XQHQJLIXEODUHN-CYBMUJFWSA-N 1 0 264.300 3.156 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2ncccc21 ZINC000601267408 347886654 /nfs/dbraw/zinc/88/66/54/347886654.db2.gz XMDQGKQYTUDEMO-MRXNPFEDSA-N 1 0 297.358 3.200 20 5 CGBDRO CC(C)C(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602537658 347977257 /nfs/dbraw/zinc/97/72/57/347977257.db2.gz BHLBGXQLDHFCRR-UHFFFAOYSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602508978 347972083 /nfs/dbraw/zinc/97/20/83/347972083.db2.gz DGZBWQZGFBWULB-QWRGUYRKSA-N 1 0 289.335 3.404 20 5 CGBDRO CC(C)([NH2+]Cc1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC000602613183 347993852 /nfs/dbraw/zinc/99/38/52/347993852.db2.gz TYRNSMKGFAFKIL-UHFFFAOYSA-N 1 0 277.349 3.076 20 5 CGBDRO C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)CC(F)F ZINC000602697894 348011429 /nfs/dbraw/zinc/01/14/29/348011429.db2.gz BVTRGJSDYFTUHQ-QMMMGPOBSA-N 1 0 299.277 3.117 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356850441 232843923 /nfs/dbraw/zinc/84/39/23/232843923.db2.gz QLTAYLCYCCYTKP-YDHLFZDLSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@]1(O)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983405 348052455 /nfs/dbraw/zinc/05/24/55/348052455.db2.gz JRVWIAQQHGRFCD-CJNGLKHVSA-N 1 0 292.379 3.201 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(F)CC1 ZINC000602992645 348052990 /nfs/dbraw/zinc/05/29/90/348052990.db2.gz BJWKCGATVLXZMC-LLVKDONJSA-N 1 0 266.316 3.480 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)cc1[N+](=O)[O-] ZINC000611271357 348434332 /nfs/dbraw/zinc/43/43/32/348434332.db2.gz VOTMQFVMRIJYJC-CQSZACIVSA-N 1 0 286.331 3.486 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000611179623 348427040 /nfs/dbraw/zinc/42/70/40/348427040.db2.gz GIEWCXPAIDEEOP-ONGXEEELSA-N 1 0 270.279 3.243 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC(F)(F)F ZINC000273400674 192139539 /nfs/dbraw/zinc/13/95/39/192139539.db2.gz MDGGWIDEYCXIQA-UHFFFAOYSA-N 1 0 276.258 3.335 20 5 CGBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccsc1 ZINC000611411714 348448338 /nfs/dbraw/zinc/44/83/38/348448338.db2.gz VDRZOYOCDKFYFS-NSHDSACASA-N 1 0 297.405 3.433 20 5 CGBDRO C[NH+](C)CCCC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611414134 348449587 /nfs/dbraw/zinc/44/95/87/348449587.db2.gz IOGHJZNJMDRDRH-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO C[C@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339496791 215210374 /nfs/dbraw/zinc/21/03/74/215210374.db2.gz SNZAYQQCFWOOEU-QMMMGPOBSA-N 1 0 260.696 3.086 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000358368968 233119113 /nfs/dbraw/zinc/11/91/13/233119113.db2.gz OGABJJPZCMQJPB-MNOVXSKESA-N 1 0 274.324 3.038 20 5 CGBDRO C[C@@H]1C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983903 349190954 /nfs/dbraw/zinc/19/09/54/349190954.db2.gz OJDDWXRLIKJYIH-FZQKWOKYSA-N 1 0 260.337 3.315 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCC23CCC3)cccc1[N+](=O)[O-] ZINC000619724196 349279548 /nfs/dbraw/zinc/27/95/48/349279548.db2.gz OWMYWWFLJCEOBS-AWEZNQCLSA-N 1 0 260.337 3.326 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152456857 188020646 /nfs/dbraw/zinc/02/06/46/188020646.db2.gz GKPNIUVDMLJJHU-ZIAGYGMSSA-N 1 0 294.395 3.353 20 5 CGBDRO Cn1ccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000154283669 188133793 /nfs/dbraw/zinc/13/37/93/188133793.db2.gz JCZLHLIROPLQQB-UHFFFAOYSA-N 1 0 285.347 3.098 20 5 CGBDRO Cc1ncsc1CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271685557 191276658 /nfs/dbraw/zinc/27/66/58/191276658.db2.gz DGOXYKLMRJDAIC-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157963273 188349446 /nfs/dbraw/zinc/34/94/46/188349446.db2.gz OYBCMMGIGZDIHJ-PEYYIBSZSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726164 191292833 /nfs/dbraw/zinc/29/28/33/191292833.db2.gz YTIHPTXLKGINAG-DZGCQCFKSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)C ZINC000310990729 138583021 /nfs/dbraw/zinc/58/30/21/138583021.db2.gz VPAUPRJWLKLXSZ-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC(OC(C)(C)C)C1 ZINC000341640125 216045774 /nfs/dbraw/zinc/04/57/74/216045774.db2.gz GYRBXVPWFOTRTH-UHFFFAOYSA-N 1 0 292.379 3.373 20 5 CGBDRO CC[NH+]1CCC(Nc2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301423790 201003773 /nfs/dbraw/zinc/00/37/73/201003773.db2.gz AYAVRLYOPSURFM-UHFFFAOYSA-N 1 0 297.786 3.453 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000301482803 201024541 /nfs/dbraw/zinc/02/45/41/201024541.db2.gz XLTSRXJMDOYJIY-OAHLLOKOSA-N 1 0 289.379 3.271 20 5 CGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000182554238 189327888 /nfs/dbraw/zinc/32/78/88/189327888.db2.gz OQXJUKKZRDKRMN-NSHDSACASA-N 1 0 292.360 3.386 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000301614832 201097265 /nfs/dbraw/zinc/09/72/65/201097265.db2.gz UUVHIFDKJHZKGK-AWEZNQCLSA-N 1 0 291.395 3.293 20 5 CGBDRO COc1cc(C[NH2+][C@@H](C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000184407881 189385132 /nfs/dbraw/zinc/38/51/32/189385132.db2.gz LFGUQQAFZPRGRC-JTQLQIEISA-N 1 0 296.342 3.411 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301810334 201211463 /nfs/dbraw/zinc/21/14/63/201211463.db2.gz XSQISEFSCBMREX-NXEZZACHSA-N 1 0 299.321 3.158 20 5 CGBDRO CSC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449291282 239294499 /nfs/dbraw/zinc/29/44/99/239294499.db2.gz KFCWMGJATKLVLZ-LLVKDONJSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451103748 240216157 /nfs/dbraw/zinc/21/61/57/240216157.db2.gz OIHZSSBJIAFUPI-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])c(OC)c2)CCCC1 ZINC000451278099 240263891 /nfs/dbraw/zinc/26/38/91/240263891.db2.gz UJEHGVRCFGGQOE-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000459748454 242209109 /nfs/dbraw/zinc/20/91/09/242209109.db2.gz XCOOMKZBABABJE-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@@]1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478481400 243078036 /nfs/dbraw/zinc/07/80/36/243078036.db2.gz POVVTBKPLPEYGU-HOCLYGCPSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc(NC2CC([NH+]3CCCCC3)C2)c([N+](=O)[O-])c1 ZINC000480846001 243167233 /nfs/dbraw/zinc/16/72/33/243167233.db2.gz ZUHHFLIGIZOAEZ-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO CC[NH+](CC)CCCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020090562 368798834 /nfs/dbraw/zinc/79/88/34/368798834.db2.gz HFZNDFFJEATDDF-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000020087710 368798907 /nfs/dbraw/zinc/79/89/07/368798907.db2.gz HFLGYNNEJMTIKL-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO C[N@H+](CCCNc1ncccc1[N+](=O)[O-])C1CCCCC1 ZINC000037859952 369119244 /nfs/dbraw/zinc/11/92/44/369119244.db2.gz RPDNDLVKMDARQB-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO CCOc1cc(C[N@@H+]2C[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492764334 244020669 /nfs/dbraw/zinc/02/06/69/244020669.db2.gz CDMOCRJWASWGHM-TXEJJXNPSA-N 1 0 278.352 3.081 20 5 CGBDRO CCOc1cc(C[N@@H+]2C[C@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492777715 244024084 /nfs/dbraw/zinc/02/40/84/244024084.db2.gz ZACJVPVWJMQURZ-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000037999260 369137890 /nfs/dbraw/zinc/13/78/90/369137890.db2.gz WOMPDAJVXSTMHG-ZDUSSCGKSA-N 1 0 277.368 3.129 20 5 CGBDRO CC[NH+](CC)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000041058408 369170861 /nfs/dbraw/zinc/17/08/61/369170861.db2.gz PSVCSDRCBNQZBU-UHFFFAOYSA-N 1 0 271.748 3.002 20 5 CGBDRO CC(C)[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000495369734 244375575 /nfs/dbraw/zinc/37/55/75/244375575.db2.gz WBBVSOVEMMFRBO-JTQLQIEISA-N 1 0 270.760 3.425 20 5 CGBDRO CCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000047873290 369330387 /nfs/dbraw/zinc/33/03/87/369330387.db2.gz MJHLQWDTKALSOC-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO CCC[C@@H](CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050404711 369438250 /nfs/dbraw/zinc/43/82/50/369438250.db2.gz HRCCESXUGCSIPF-GFCCVEGCSA-N 1 0 266.341 3.272 20 5 CGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000057622600 369544082 /nfs/dbraw/zinc/54/40/82/369544082.db2.gz GQCPOUXXSHIJHG-MRXNPFEDSA-N 1 0 285.347 3.270 20 5 CGBDRO CCOC[C@@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072976879 369846145 /nfs/dbraw/zinc/84/61/45/369846145.db2.gz QKJCVNWISIWJTC-UONOGXRCSA-N 1 0 292.379 3.404 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093558692 370140507 /nfs/dbraw/zinc/14/05/07/370140507.db2.gz IVZWOPYNCDMKIF-GFCCVEGCSA-N 1 0 282.409 3.477 20 5 CGBDRO C[C@H]([NH2+]CCOC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000111634669 370402413 /nfs/dbraw/zinc/40/24/13/370402413.db2.gz VVDABMHJLCWTBT-LBPRGKRZSA-N 1 0 278.352 3.205 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2O)c(Cl)c1 ZINC000135723871 371447503 /nfs/dbraw/zinc/44/75/03/371447503.db2.gz SLNCKUYEXMDPJY-KBPBESRZSA-N 1 0 298.770 3.031 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000151000760 371557303 /nfs/dbraw/zinc/55/73/03/371557303.db2.gz JFDKTNRCLOYQLN-MNOVXSKESA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCOC[C@H]2C)cccc1[N+](=O)[O-] ZINC000287582972 371677406 /nfs/dbraw/zinc/67/74/06/371677406.db2.gz RCRZSUINWDLVJA-KWCYVHTRSA-N 1 0 292.379 3.226 20 5 CGBDRO CC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCOC(C)(C)C1 ZINC000289645200 371781894 /nfs/dbraw/zinc/78/18/94/371781894.db2.gz DITYHUNTXMBLRP-CQSZACIVSA-N 1 0 292.379 3.374 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cs1 ZINC000290375316 371976822 /nfs/dbraw/zinc/97/68/22/371976822.db2.gz HRULDUKDRWVQSW-NWANDNLSSA-N 1 0 286.356 3.084 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159141416 372108898 /nfs/dbraw/zinc/10/88/98/372108898.db2.gz RHNDIOGXIOQIRI-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1sccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000293354009 372361855 /nfs/dbraw/zinc/36/18/55/372361855.db2.gz UBWRCSRWMJIGCX-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000429307327 372349233 /nfs/dbraw/zinc/34/92/33/372349233.db2.gz HSWKUZDSELADKK-FZMZJTMJSA-N 1 0 298.342 3.118 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000293687298 372450736 /nfs/dbraw/zinc/45/07/36/372450736.db2.gz NSOVNCCITQVKDM-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000293687301 372450872 /nfs/dbraw/zinc/45/08/72/372450872.db2.gz NSOVNCCITQVKDM-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000293709890 372456861 /nfs/dbraw/zinc/45/68/61/372456861.db2.gz MRTJPSWFSDOQQE-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H]1[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000432143998 372540876 /nfs/dbraw/zinc/54/08/76/372540876.db2.gz TYVJXHJHYFFWIF-KOLCDFICSA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1ccccc1C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293820621 372493116 /nfs/dbraw/zinc/49/31/16/372493116.db2.gz RZZXYXMJFUKOFT-LBPRGKRZSA-N 1 0 285.347 3.336 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000167057759 372588978 /nfs/dbraw/zinc/58/89/78/372588978.db2.gz MWFKQQPKSQKMIH-SWLSCSKDSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000168686747 372617184 /nfs/dbraw/zinc/61/71/84/372617184.db2.gz IJUBQPKQGHZJMN-RYUDHWBXSA-N 1 0 280.393 3.449 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000168686822 372617515 /nfs/dbraw/zinc/61/75/15/372617515.db2.gz IJUBQPKQGHZJMN-VXGBXAGGSA-N 1 0 280.393 3.449 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295497929 372803114 /nfs/dbraw/zinc/80/31/14/372803114.db2.gz NQSMOQXOGZBUPW-CHWSQXEVSA-N 1 0 292.379 3.139 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000344698290 217279707 /nfs/dbraw/zinc/27/97/07/217279707.db2.gz NZGVWFNWARTNCJ-JHSOUAKNSA-N 1 0 290.363 3.011 20 5 CGBDRO C[C@@H](Cc1ccncc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344749815 217299574 /nfs/dbraw/zinc/29/95/74/217299574.db2.gz BQQWTSOLQXSZME-SDQPKGBYSA-N 1 0 297.358 3.224 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1(C)C ZINC000296156868 373039988 /nfs/dbraw/zinc/03/99/88/373039988.db2.gz UHMDNAVHSKSOSM-HNNXBMFYSA-N 1 0 292.379 3.150 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444596920 373209784 /nfs/dbraw/zinc/20/97/84/373209784.db2.gz OEVUFOSJFZXYNP-NSHDSACASA-N 1 0 288.351 3.093 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCc1ccco1)CCC2 ZINC000447520467 373443930 /nfs/dbraw/zinc/44/39/30/373443930.db2.gz KLCXINSMHCJLCY-INIZCTEOSA-N 1 0 286.331 3.398 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc([N+](=O)[O-])cc1 ZINC000353622138 220199910 /nfs/dbraw/zinc/19/99/10/220199910.db2.gz LQTWQMDGMUSKJR-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO CC(C)C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000301091580 373657459 /nfs/dbraw/zinc/65/74/59/373657459.db2.gz WFNBLXHMVSNAAZ-LBPRGKRZSA-N 1 0 283.347 3.122 20 5 CGBDRO CN(CC1CC[NH+](C)CC1)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000301161441 373678566 /nfs/dbraw/zinc/67/85/66/373678566.db2.gz BPSBKHLXBPZUNG-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301280404 373727267 /nfs/dbraw/zinc/72/72/67/373727267.db2.gz JVBZXTBYKNJVOG-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(CF)CC1 ZINC000449454149 373737315 /nfs/dbraw/zinc/73/73/15/373737315.db2.gz JORGRBOTHAEBDL-HYXAFXHYSA-N 1 0 278.327 3.290 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC000301921637 373813313 /nfs/dbraw/zinc/81/33/13/373813313.db2.gz FWWXTOWRDOCKQJ-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000449493285 373786915 /nfs/dbraw/zinc/78/69/15/373786915.db2.gz LCAIRIWUILOHCX-BBRMVZONSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1cccc(NCC[N@H+]2CCCC[C@H]2C)c1[N+](=O)[O-] ZINC000302497198 373881114 /nfs/dbraw/zinc/88/11/14/373881114.db2.gz NAHPYGGVGLSUPW-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000449761131 373889075 /nfs/dbraw/zinc/88/90/75/373889075.db2.gz UZVMJIZGNDRAFR-HUUCEWRRSA-N 1 0 296.342 3.171 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449761543 373889998 /nfs/dbraw/zinc/88/99/98/373889998.db2.gz YMGXDKGPZQRIGC-VFADXPBXSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1cccc(C)c1[N+](=O)[O-] ZINC000302470436 373876011 /nfs/dbraw/zinc/87/60/11/373876011.db2.gz CRIMGDZYTVCWJO-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H]([NH2+][C@H]2CCOC2)c2ccccc2)c1 ZINC000181003082 374067821 /nfs/dbraw/zinc/06/78/21/374067821.db2.gz WPCKFSPYWWOCEN-RDJZCZTQSA-N 1 0 298.342 3.063 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182028415 374206313 /nfs/dbraw/zinc/20/63/13/374206313.db2.gz NDMNKVCWWJBQHO-SECBINFHSA-N 1 0 268.744 3.479 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000312812884 374292695 /nfs/dbraw/zinc/29/26/95/374292695.db2.gz IIHCUDKWJLGJLT-ZLDLUXBVSA-N 1 0 278.352 3.061 20 5 CGBDRO CCOCC[N@H+](CC)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000182770299 374324071 /nfs/dbraw/zinc/32/40/71/374324071.db2.gz DBEQFKBDNCGIJR-ZDUSSCGKSA-N 1 0 280.368 3.323 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331475147 374535337 /nfs/dbraw/zinc/53/53/37/374535337.db2.gz LESDWCVFQDSZFX-AWEZNQCLSA-N 1 0 288.351 3.092 20 5 CGBDRO CC(C)(C)CCC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000332663984 374585034 /nfs/dbraw/zinc/58/50/34/374585034.db2.gz DYKKOFDTXQKIHT-UHFFFAOYSA-N 1 0 277.368 3.174 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000474066218 375076549 /nfs/dbraw/zinc/07/65/49/375076549.db2.gz ICPKMVDIGTWLGY-HNNXBMFYSA-N 1 0 290.363 3.286 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187612736 375055064 /nfs/dbraw/zinc/05/50/64/375055064.db2.gz VESZGCSRPVYATG-MPTQWLOMSA-N 1 0 292.379 3.043 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCC12CCCC2 ZINC000189159369 375333236 /nfs/dbraw/zinc/33/32/36/375333236.db2.gz LAWQNRJLQIKGSO-AWEZNQCLSA-N 1 0 260.337 3.407 20 5 CGBDRO CCOC1CC(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000189258840 375350874 /nfs/dbraw/zinc/35/08/74/375350874.db2.gz YGQDDXAQSYKLCN-FUJMWEONSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190933866 375551164 /nfs/dbraw/zinc/55/11/64/375551164.db2.gz NFNSXDYJQJMHBI-ZIAGYGMSSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000507252768 375692011 /nfs/dbraw/zinc/69/20/11/375692011.db2.gz NZLWXCBTGPVWPH-LBPRGKRZSA-N 1 0 250.342 3.380 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336794132 375944117 /nfs/dbraw/zinc/94/41/17/375944117.db2.gz ZUYWQNLWQLHDMF-NSHDSACASA-N 1 0 252.289 3.108 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000536682447 376120690 /nfs/dbraw/zinc/12/06/90/376120690.db2.gz PLABYGUNDSFHKX-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO CCOC1CC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000224432910 376280086 /nfs/dbraw/zinc/28/00/86/376280086.db2.gz UBEINPLCOOTONY-LMWSTFAQSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000222615993 376238289 /nfs/dbraw/zinc/23/82/89/376238289.db2.gz BDMHRZJGDFDRPP-HZUKXOBISA-N 1 0 290.363 3.121 20 5 CGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000540686693 376391463 /nfs/dbraw/zinc/39/14/63/376391463.db2.gz WPVZNKHRSCOTLI-TUKIKUTGSA-N 1 0 292.379 3.052 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000541323673 376437811 /nfs/dbraw/zinc/43/78/11/376437811.db2.gz FMZWAYOJAZVWQY-AWEZNQCLSA-N 1 0 290.363 3.262 20 5 CGBDRO O=[N+]([O-])c1ccccc1NCCCCC[NH+]1CCCC1 ZINC000338753213 376516359 /nfs/dbraw/zinc/51/63/59/376516359.db2.gz AEIMLXZOQBRHCF-UHFFFAOYSA-N 1 0 277.368 3.273 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CCC3)o2)cc1 ZINC000264538266 190116839 /nfs/dbraw/zinc/11/68/39/190116839.db2.gz POJVELHAQLYVAF-UHFFFAOYSA-N 1 0 272.304 3.497 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339670354 376799040 /nfs/dbraw/zinc/79/90/40/376799040.db2.gz BNZYQYQTHGQXCZ-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000245463662 376822207 /nfs/dbraw/zinc/82/22/07/376822207.db2.gz OXALDIYOOSIOSX-UONOGXRCSA-N 1 0 291.395 3.120 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@@H]1C=CCCC1 ZINC000558741357 377042483 /nfs/dbraw/zinc/04/24/83/377042483.db2.gz UIWYHKGIJOEPKL-CQSZACIVSA-N 1 0 260.337 3.178 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CSC1(C)C ZINC000558972524 377058866 /nfs/dbraw/zinc/05/88/66/377058866.db2.gz BEDDISLUHUDKTG-MFKMUULPSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1cc(F)ccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000094951111 249043222 /nfs/dbraw/zinc/04/32/22/249043222.db2.gz NCOBBXAOYDLEJK-UHFFFAOYSA-N 1 0 294.351 3.436 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313073309 249085629 /nfs/dbraw/zinc/08/56/29/249085629.db2.gz YPQIRBCNYKETKF-ZIAGYGMSSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](c3cccnc3)C2)cs1 ZINC000517560680 249267524 /nfs/dbraw/zinc/26/75/24/249267524.db2.gz SSOIDFVNPAPWDZ-CYBMUJFWSA-N 1 0 289.360 3.041 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1(CF)CCC1 ZINC000517741774 249270097 /nfs/dbraw/zinc/27/00/97/249270097.db2.gz WCQFKGGHUUAIIV-ZZXKWVIFSA-N 1 0 264.300 3.090 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCCOC1 ZINC000342624015 377693574 /nfs/dbraw/zinc/69/35/74/377693574.db2.gz QMWDGYOGSXNKTG-OAHLLOKOSA-N 1 0 292.379 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000343011591 377882041 /nfs/dbraw/zinc/88/20/41/377882041.db2.gz UMBFJQVVYLQEMQ-INIZCTEOSA-N 1 0 290.363 3.238 20 5 CGBDRO CCOc1cc(NCC2([NH3+])CCCCC2)ccc1[N+](=O)[O-] ZINC000261745181 377849392 /nfs/dbraw/zinc/84/93/92/377849392.db2.gz SPJQHNBXLOHSTK-UHFFFAOYSA-N 1 0 293.367 3.067 20 5 CGBDRO C[C@@H]1C[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000268828164 378124655 /nfs/dbraw/zinc/12/46/55/378124655.db2.gz VEVFIQIIICLYQO-DFBGVHRSSA-N 1 0 274.364 3.162 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268910886 378150032 /nfs/dbraw/zinc/15/00/32/378150032.db2.gz SVEIITKBWPJOJN-WFASDCNBSA-N 1 0 280.368 3.105 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)nc1 ZINC000582163753 378289903 /nfs/dbraw/zinc/28/99/03/378289903.db2.gz UANTYFMYVWVKHG-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000270707577 378391755 /nfs/dbraw/zinc/39/17/55/378391755.db2.gz ZNBMRRZEJXOICZ-NWDGAFQWSA-N 1 0 298.408 3.340 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000271826752 378508325 /nfs/dbraw/zinc/50/83/25/378508325.db2.gz SZBBMZBAKFVBGH-VXGBXAGGSA-N 1 0 266.341 3.061 20 5 CGBDRO CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000271967031 378531482 /nfs/dbraw/zinc/53/14/82/378531482.db2.gz HEOMSNPGELSKAF-GJZGRUSLSA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000272553318 378664914 /nfs/dbraw/zinc/66/49/14/378664914.db2.gz DEFQZHOAQIHIGO-QWHCGFSZSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272477213 378646199 /nfs/dbraw/zinc/64/61/99/378646199.db2.gz GEPBXJSBOUODIY-INWMFGNUSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC[N@H+](C)C[C@H]1CCN(c2c(C)cccc2[N+](=O)[O-])C1 ZINC000266216054 190240691 /nfs/dbraw/zinc/24/06/91/190240691.db2.gz OYCMLANHYCAVTP-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO CCCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278659070 194088637 /nfs/dbraw/zinc/08/86/37/194088637.db2.gz KHRIJPHIDRRDLG-SNVBAGLBSA-N 1 0 276.340 3.139 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277303423 379123787 /nfs/dbraw/zinc/12/37/87/379123787.db2.gz UIWOUCAZNDEWOC-ZFWWWQNUSA-N 1 0 291.395 3.072 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c(F)c1 ZINC000349124396 379163397 /nfs/dbraw/zinc/16/33/97/379163397.db2.gz BDYPCIQBKKWYAV-USXIJHARSA-N 1 0 298.317 3.162 20 5 CGBDRO Cc1cccnc1NCc1ccc([N+](=O)[O-])cc1C ZINC000349905281 379442008 /nfs/dbraw/zinc/44/20/08/379442008.db2.gz LNDFLWUTRXKAEF-UHFFFAOYSA-N 1 0 257.293 3.219 20 5 CGBDRO C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349822111 379401330 /nfs/dbraw/zinc/40/13/30/379401330.db2.gz OOSLAOBGQXEJAR-WSNITJDQSA-N 1 0 292.379 3.135 20 5 CGBDRO CC1(C)C[C@H]([NH2+]C[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000279226014 379416931 /nfs/dbraw/zinc/41/69/31/379416931.db2.gz ZLASTTUBKDXDBQ-WFASDCNBSA-N 1 0 290.363 3.086 20 5 CGBDRO COC1CCC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000350174863 379526136 /nfs/dbraw/zinc/52/61/36/379526136.db2.gz MOPVMROBJWPOJE-UHFFFAOYSA-N 1 0 298.408 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000377541907 379693984 /nfs/dbraw/zinc/69/39/84/379693984.db2.gz FICXCJQODUQMKV-ZDUSSCGKSA-N 1 0 264.300 3.108 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000280295602 379667759 /nfs/dbraw/zinc/66/77/59/379667759.db2.gz VDBAZYCYTVZJQV-STQMWFEESA-N 1 0 280.368 3.043 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000282171527 379867457 /nfs/dbraw/zinc/86/74/57/379867457.db2.gz MFXSMBASGQHEHX-XEZPLFJOSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388226699 379882442 /nfs/dbraw/zinc/88/24/42/379882442.db2.gz KORCANZNNBXYFD-ZETOZRRWSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402362010 379964525 /nfs/dbraw/zinc/96/45/25/379964525.db2.gz VYIIBCNOOFJXLJ-ZIAGYGMSSA-N 1 0 292.379 3.371 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C2CCC2)ccc1[N+](=O)[O-] ZINC000352769575 379949943 /nfs/dbraw/zinc/94/99/43/379949943.db2.gz NNWFAUCHQYOTDJ-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779514 379954341 /nfs/dbraw/zinc/95/43/41/379954341.db2.gz PPLKPCUFPOSPPY-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000402092373 379960656 /nfs/dbraw/zinc/96/06/56/379960656.db2.gz JMQMBIRABQDLAN-STQMWFEESA-N 1 0 278.352 3.062 20 5 CGBDRO COCCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279036629 194258633 /nfs/dbraw/zinc/25/86/33/194258633.db2.gz JANFWXMNXFQTTA-OAHLLOKOSA-N 1 0 292.379 3.333 20 5 CGBDRO Cc1occc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000414424362 380229710 /nfs/dbraw/zinc/22/97/10/380229710.db2.gz CAKJYCOUHFVQMS-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354107358 380328334 /nfs/dbraw/zinc/32/83/34/380328334.db2.gz PTJCGMJOWVPINB-LBPRGKRZSA-N 1 0 254.355 3.278 20 5 CGBDRO Cc1ccc(CCC[NH2+]CCc2ccccc2[N+](=O)[O-])cn1 ZINC000354484796 380456197 /nfs/dbraw/zinc/45/61/97/380456197.db2.gz XHHMHGLCUCTRBO-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCSCC1 ZINC000354590099 380496706 /nfs/dbraw/zinc/49/67/06/380496706.db2.gz ZLGXWMNJYLJLEW-GFCCVEGCSA-N 1 0 294.420 3.259 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000417339821 380597580 /nfs/dbraw/zinc/59/75/80/380597580.db2.gz OMQGPLHWPWLYSC-NEPJUHHUSA-N 1 0 260.337 3.354 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417365148 380609194 /nfs/dbraw/zinc/60/91/94/380609194.db2.gz NPWXJPBGSHVRGF-DGCLKSJQSA-N 1 0 260.337 3.354 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000357027804 380997687 /nfs/dbraw/zinc/99/76/87/380997687.db2.gz SWLZFVLKLJMYER-VIFPVBQESA-N 1 0 254.355 3.277 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555564 381208561 /nfs/dbraw/zinc/20/85/61/381208561.db2.gz VCLLFHPCXUISLP-WCQYABFASA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000360124313 381454784 /nfs/dbraw/zinc/45/47/84/381454784.db2.gz SXSLVFNZHCEWKP-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000362393546 381972574 /nfs/dbraw/zinc/97/25/74/381972574.db2.gz PNLKKLVQLZINTM-NEPJUHHUSA-N 1 0 280.393 3.483 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)c1 ZINC000449480386 285153223 /nfs/dbraw/zinc/15/32/23/285153223.db2.gz YFUVECINIOQQKX-AWEZNQCLSA-N 1 0 290.363 3.034 20 5 CGBDRO CC(C)SCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000283121467 195797154 /nfs/dbraw/zinc/79/71/54/195797154.db2.gz MZJCGTUZAFWCBN-NSHDSACASA-N 1 0 268.382 3.387 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@@H+]([C@H]1C=CCCC1)C2 ZINC000533800568 288394909 /nfs/dbraw/zinc/39/49/09/288394909.db2.gz SKODHZQWVRCRTC-ZDUSSCGKSA-N 1 0 258.321 3.062 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191656492 130272773 /nfs/dbraw/zinc/27/27/73/130272773.db2.gz KRVZRIQWWBQRDJ-YWPYICTPSA-N 1 0 280.368 3.449 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075020948 392214385 /nfs/dbraw/zinc/21/43/85/392214385.db2.gz NUYDLULKWLYAAP-AOOOYVTPSA-N 1 0 254.355 3.419 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@H](C)SC)cc1[N+](=O)[O-] ZINC000090725452 392230164 /nfs/dbraw/zinc/23/01/64/392230164.db2.gz QMAMRNXIGAZNCQ-WDEREUQCSA-N 1 0 298.408 3.396 20 5 CGBDRO C[C@H](NCC1([NH+](C)C)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000105961350 392296692 /nfs/dbraw/zinc/29/66/92/392296692.db2.gz WGWMESMZRHTTQB-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000128291708 392448997 /nfs/dbraw/zinc/44/89/97/392448997.db2.gz OVZCHXFDILNEIR-KKUMJFAQSA-N 1 0 292.379 3.185 20 5 CGBDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331009811 392695727 /nfs/dbraw/zinc/69/57/27/392695727.db2.gz MXZGDVCPNAVARG-CYBMUJFWSA-N 1 0 294.399 3.119 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC12CC2 ZINC000515313055 392860095 /nfs/dbraw/zinc/86/00/95/392860095.db2.gz ZIANUDCQKQHYHN-AWEZNQCLSA-N 1 0 276.336 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(SCCC[NH+]2CCCC2)c(F)c1 ZINC000193511666 392879350 /nfs/dbraw/zinc/87/93/50/392879350.db2.gz NTMHBJIRWTYTNN-UHFFFAOYSA-N 1 0 284.356 3.312 20 5 CGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC000394446865 392938359 /nfs/dbraw/zinc/93/83/59/392938359.db2.gz HONWSTGIXXRLFV-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000339125597 392948725 /nfs/dbraw/zinc/94/87/25/392948725.db2.gz CYOKNKPXRHQHCW-ZDUSSCGKSA-N 1 0 292.379 3.110 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928002 393072788 /nfs/dbraw/zinc/07/27/88/393072788.db2.gz XXHTXXDALACTIH-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000268340632 393196266 /nfs/dbraw/zinc/19/62/66/393196266.db2.gz PDOHRMZHNCBXJU-UPJWGTAASA-N 1 0 260.337 3.388 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000469789392 393216364 /nfs/dbraw/zinc/21/63/64/393216364.db2.gz FEMHTOYKOROXKP-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000356345567 393423983 /nfs/dbraw/zinc/42/39/83/393423983.db2.gz XOXGZDXJAMUOAR-HUUCEWRRSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1cc(NCC[C@@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420157207 393431869 /nfs/dbraw/zinc/43/18/69/393431869.db2.gz OMLMPNQNHKWNHQ-MRVPVSSYSA-N 1 0 291.273 3.071 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399896 393437618 /nfs/dbraw/zinc/43/76/18/393437618.db2.gz GAUQLIHJMKMOFB-WFASDCNBSA-N 1 0 262.353 3.258 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+](C(C)C)C(C)C ZINC000430200194 393537590 /nfs/dbraw/zinc/53/75/90/393537590.db2.gz GNMJHEVXICHDIR-UHFFFAOYSA-N 1 0 266.341 3.222 20 5 CGBDRO CC1=C[C@@H](C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000430264721 393552308 /nfs/dbraw/zinc/55/23/08/393552308.db2.gz SLJSNGPOSMVMPY-GFCCVEGCSA-N 1 0 260.337 3.035 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC000444647396 393790464 /nfs/dbraw/zinc/79/04/64/393790464.db2.gz FAEJAUOVWFNEIE-QWRGUYRKSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000502282631 393872177 /nfs/dbraw/zinc/87/21/77/393872177.db2.gz OJJDYMBADLPACV-KBMXLJTQSA-N 1 0 274.364 3.306 20 5 CGBDRO Cc1ccc(F)c(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000449551143 393897173 /nfs/dbraw/zinc/89/71/73/393897173.db2.gz FGHZWCQCVMAFKO-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CC1(F)CC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000453242782 394217109 /nfs/dbraw/zinc/21/71/09/394217109.db2.gz WXKBWKKIJJJYRJ-BBBYJDLNSA-N 1 0 292.354 3.396 20 5 CGBDRO CC1(C)C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000453587396 394251297 /nfs/dbraw/zinc/25/12/97/394251297.db2.gz XCDNLIUWNZXOPO-LLVKDONJSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@H]23)cc1[N+](=O)[O-] ZINC000187360512 292247892 /nfs/dbraw/zinc/24/78/92/292247892.db2.gz OVAZPFKPSMXVJW-ADSMDIBLSA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000271961617 287051564 /nfs/dbraw/zinc/05/15/64/287051564.db2.gz RGTLWKYMHWQNAL-YWPYICTPSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)C(C)C)cc1[N+](=O)[O-] ZINC000081046105 287070018 /nfs/dbraw/zinc/07/00/18/287070018.db2.gz SPLPYYAOJRALSW-LBPRGKRZSA-N 1 0 250.342 3.285 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC(C2CC2)C2CC2)c1 ZINC000088455745 287086785 /nfs/dbraw/zinc/08/67/85/287086785.db2.gz OKDVGQWFXWKPTQ-UHFFFAOYSA-N 1 0 260.337 3.121 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000119602780 287171812 /nfs/dbraw/zinc/17/18/12/287171812.db2.gz VIYWIZNHRNHMAO-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCc1ccccc1 ZINC000020122765 171003366 /nfs/dbraw/zinc/00/33/66/171003366.db2.gz UBYYQWYLBSKEAL-UHFFFAOYSA-N 1 0 270.332 3.317 20 5 CGBDRO CCC[C@@H]([NH2+]CCN1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020127092 171012141 /nfs/dbraw/zinc/01/21/41/171012141.db2.gz HGCCAVIWAMYHEN-MRXNPFEDSA-N 1 0 291.395 3.121 20 5 CGBDRO C[C@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000020145126 171030040 /nfs/dbraw/zinc/03/00/40/171030040.db2.gz ANINABDQQHXEIT-GFCCVEGCSA-N 1 0 274.320 3.299 20 5 CGBDRO CC(C)[NH+](CCNc1ccccc1[N+](=O)[O-])C(C)C ZINC000021789016 171323540 /nfs/dbraw/zinc/32/35/40/171323540.db2.gz BAGKESGFPXVZCT-UHFFFAOYSA-N 1 0 265.357 3.126 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)CC(C)C)cccc1[N+](=O)[O-] ZINC000035648910 172325577 /nfs/dbraw/zinc/32/55/77/172325577.db2.gz LKGGOPNRQBYDGJ-NSHDSACASA-N 1 0 250.342 3.427 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000035661434 172339527 /nfs/dbraw/zinc/33/95/27/172339527.db2.gz KHTMFMNPDYXIMM-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccccc2F)cc1 ZINC000035677624 172348478 /nfs/dbraw/zinc/34/84/78/172348478.db2.gz MVJJHPLCQHFMBL-UHFFFAOYSA-N 1 0 274.295 3.066 20 5 CGBDRO CC(C)C[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677752 172348772 /nfs/dbraw/zinc/34/87/72/172348772.db2.gz DLMWHWGRIKKRCW-GFCCVEGCSA-N 1 0 250.342 3.162 20 5 CGBDRO CC[C@H]([NH2+]CCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044656789 175225582 /nfs/dbraw/zinc/22/55/82/175225582.db2.gz PWKYGYYCKUSGTQ-AWEZNQCLSA-N 1 0 266.341 3.062 20 5 CGBDRO COC1(C)CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000354811685 227130391 /nfs/dbraw/zinc/13/03/91/227130391.db2.gz WSNHCPVCMISLFN-ALCCZGGFSA-N 1 0 290.363 3.109 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000282463586 292652096 /nfs/dbraw/zinc/65/20/96/292652096.db2.gz GBLVRRYLKKXSLA-VNHYZAJKSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000311430334 262250964 /nfs/dbraw/zinc/25/09/64/262250964.db2.gz MRINANVDWVQHIC-LBPRGKRZSA-N 1 0 265.357 3.044 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](O)C(C)C ZINC000414299139 262839136 /nfs/dbraw/zinc/83/91/36/262839136.db2.gz RAZOGPWTEJGMMO-IVMMDQJWSA-N 1 0 294.395 3.349 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123213 270031757 /nfs/dbraw/zinc/03/17/57/270031757.db2.gz BVXIACBSQCJFIN-NSHDSACASA-N 1 0 260.337 3.358 20 5 CGBDRO CC(C)C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000103465837 270045799 /nfs/dbraw/zinc/04/57/99/270045799.db2.gz UIZHQIVHSWVMGP-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C1CC(F)(F)C1)CCC2 ZINC000278623958 270091536 /nfs/dbraw/zinc/09/15/36/270091536.db2.gz GJWVUHFTHNBTEG-ZDUSSCGKSA-N 1 0 282.290 3.360 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000527102640 270125331 /nfs/dbraw/zinc/12/53/31/270125331.db2.gz AJQBPRGZURLPPZ-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531973654 270212014 /nfs/dbraw/zinc/21/20/14/270212014.db2.gz OTSJDUOVJCIMIS-ZENOOKHLSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000531973585 270212110 /nfs/dbraw/zinc/21/21/10/270212110.db2.gz DUVWBOXLBHCSQO-ZENOOKHLSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1Cc2ccccc2C1 ZINC000449243792 274231141 /nfs/dbraw/zinc/23/11/41/274231141.db2.gz NGHYMBYNRWSCRV-ZDUSSCGKSA-N 1 0 296.370 3.283 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000482859625 274302589 /nfs/dbraw/zinc/30/25/89/274302589.db2.gz SHFXPMPUTXCNHL-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](CC(C)(C)O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296596349 274473910 /nfs/dbraw/zinc/47/39/10/274473910.db2.gz VHNFCAHTMYPGNJ-IAQYHMDHSA-N 1 0 292.379 3.111 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCC[C@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000253232845 287848071 /nfs/dbraw/zinc/84/80/71/287848071.db2.gz IHQQTYSDYHTRSQ-RCBQFDQVSA-N 1 0 292.379 3.187 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452015607 276467859 /nfs/dbraw/zinc/46/78/59/276467859.db2.gz MPDMGZDXQNCWTP-KCPJHIHWSA-N 1 0 278.352 3.203 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313058540 287942962 /nfs/dbraw/zinc/94/29/62/287942962.db2.gz LJRUJLJHHFBQPP-LSDHHAIUSA-N 1 0 292.379 3.451 20 5 CGBDRO COCC[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433174578 277239108 /nfs/dbraw/zinc/23/91/08/277239108.db2.gz NIWMUSSZCGUIOK-XHDPSFHLSA-N 1 0 292.379 3.332 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000486801038 277284366 /nfs/dbraw/zinc/28/43/66/277284366.db2.gz LARHFXTYXFFTIP-CSVMTYNTSA-N 1 0 290.363 3.155 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396573364 288013894 /nfs/dbraw/zinc/01/38/94/288013894.db2.gz ZAAPTADYHGBZHG-GXTWGEPZSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000397019122 288020417 /nfs/dbraw/zinc/02/04/17/288020417.db2.gz HGAKLXUIFWXXBZ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(F)(F)F ZINC000515388669 278285710 /nfs/dbraw/zinc/28/57/10/278285710.db2.gz GEJDVFGZGKFLNH-GZMMTYOYSA-N 1 0 288.269 3.370 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000278846048 278371875 /nfs/dbraw/zinc/37/18/75/278371875.db2.gz VDEKYCNSVLRKNR-MEBBXXQBSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000020526136 278379267 /nfs/dbraw/zinc/37/92/67/278379267.db2.gz SJRRSXIYYDVCFQ-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@@H]([NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178658336 278389597 /nfs/dbraw/zinc/38/95/97/278389597.db2.gz DQPYROKXIPDSFJ-KJEVXHAQSA-N 1 0 290.363 3.059 20 5 CGBDRO CC[N@H+](C[C@H]1CCCO1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727905 279231489 /nfs/dbraw/zinc/23/14/89/279231489.db2.gz MKMRDUCMTHWCSF-DZGCQCFKSA-N 1 0 292.379 3.465 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000449641803 280192245 /nfs/dbraw/zinc/19/22/45/280192245.db2.gz VVGKIBFGFVKDBW-BJJXKVORSA-N 1 0 294.395 3.055 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H](C)C1 ZINC000536178866 288475598 /nfs/dbraw/zinc/47/55/98/288475598.db2.gz JFTUBHKPESQUKB-HZSPNIEDSA-N 1 0 292.379 3.369 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)F ZINC000550274016 289071990 /nfs/dbraw/zinc/07/19/90/289071990.db2.gz ZLAKXFIFVXQQCB-JATZPVMKSA-N 1 0 266.316 3.336 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC[C@H]1C ZINC000552101363 289163393 /nfs/dbraw/zinc/16/33/93/289163393.db2.gz NNEBXUUASJRCLE-YRGRVCCFSA-N 1 0 294.420 3.257 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC[C@@H]1C ZINC000552101361 289163418 /nfs/dbraw/zinc/16/34/18/289163418.db2.gz NNEBXUUASJRCLE-OUCADQQQSA-N 1 0 294.420 3.257 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC(C)(C)C ZINC000555338550 289340135 /nfs/dbraw/zinc/34/01/35/289340135.db2.gz IEKGYNHMQAJOCM-UHFFFAOYSA-N 1 0 250.342 3.115 20 5 CGBDRO CC[C@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000562909835 289741807 /nfs/dbraw/zinc/74/18/07/289741807.db2.gz SAGJBEGKFMLMJW-IUODEOHRSA-N 1 0 292.379 3.332 20 5 CGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090087656 290069041 /nfs/dbraw/zinc/06/90/41/290069041.db2.gz UPQKUGBMZZUSIO-RYUDHWBXSA-N 1 0 280.368 3.043 20 5 CGBDRO CSC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000566475936 322124949 /nfs/dbraw/zinc/12/49/49/322124949.db2.gz RCQPXIBQAFQLNK-ZDUSSCGKSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C=CCCC1 ZINC000566475234 322125129 /nfs/dbraw/zinc/12/51/29/322125129.db2.gz LJYHDEWHCHIUEJ-RISCZKNCSA-N 1 0 258.321 3.280 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000567123616 322151555 /nfs/dbraw/zinc/15/15/55/322151555.db2.gz NZIUHVSBXNDEAP-IINYFYTJSA-N 1 0 299.330 3.034 20 5 CGBDRO CC[C@@H](COC)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000567368115 322160894 /nfs/dbraw/zinc/16/08/94/322160894.db2.gz LYSHLJRYHZLSOD-UNJUUPHPSA-N 1 0 278.352 3.013 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCCSC1 ZINC000572975273 322363913 /nfs/dbraw/zinc/36/39/13/322363913.db2.gz RGAYVVRFGMTQOR-MFKMUULPSA-N 1 0 278.377 3.067 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572974904 322364069 /nfs/dbraw/zinc/36/40/69/322364069.db2.gz CVICOSOPRSYSBX-SWHYSGLUSA-N 1 0 260.337 3.360 20 5 CGBDRO CC(C)([NH2+]Cc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000175985381 335226342 /nfs/dbraw/zinc/22/63/42/335226342.db2.gz XULHPOVBRQGNDF-UHFFFAOYSA-N 1 0 271.320 3.015 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000357342903 534090867 /nfs/dbraw/zinc/09/08/67/534090867.db2.gz FBTPEOKUEJVXPO-HOCLYGCPSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccc(N)c2)cc1[N+](=O)[O-] ZINC000436489226 534225787 /nfs/dbraw/zinc/22/57/87/534225787.db2.gz UNJRJAMJPRRBCB-LBPRGKRZSA-N 1 0 285.347 3.336 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097436540 520776476 /nfs/dbraw/zinc/77/64/76/520776476.db2.gz SSVBFDJMRUGASH-IUODEOHRSA-N 1 0 280.368 3.044 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CC2 ZINC000424319537 534887759 /nfs/dbraw/zinc/88/77/59/534887759.db2.gz ILNXZSAGAZHRLO-NOLJZWGESA-N 1 0 286.375 3.448 20 5 CGBDRO CC1(CC[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000359007524 527927902 /nfs/dbraw/zinc/92/79/02/527927902.db2.gz ULJUYTCPWNDOPX-QWHCGFSZSA-N 1 0 292.383 3.055 20 5 CGBDRO CCOc1cccc(NC[C@@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000358253759 528674563 /nfs/dbraw/zinc/67/45/63/528674563.db2.gz IELBZSYVLOHOEP-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423303761 528821774 /nfs/dbraw/zinc/82/17/74/528821774.db2.gz XKSASIWJMYJNKY-XJKSGUPXSA-N 1 0 291.395 3.079 20 5 CGBDRO COc1cc(C[N@H+](C)C2CCCCC2)ccc1[N+](=O)[O-] ZINC000485763312 536745651 /nfs/dbraw/zinc/74/56/51/536745651.db2.gz BJGHIHOVRPDBHF-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC2(CCC2)C1 ZINC000459402929 536955899 /nfs/dbraw/zinc/95/58/99/536955899.db2.gz GAKHEAVODYQQKI-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000746672235 572890967 /nfs/dbraw/zinc/89/09/67/572890967.db2.gz NLSJSOBNNSVEAY-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO C[NH+](C)C[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000749391914 572997063 /nfs/dbraw/zinc/99/70/63/572997063.db2.gz IXCZUIYYHCKDRV-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO CC[N@@H+]1CCC[C@H]1CNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000036461531 618109010 /nfs/dbraw/zinc/10/90/10/618109010.db2.gz XKACJKSIMZKMJY-NSHDSACASA-N 1 0 283.759 3.144 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000246460121 618166386 /nfs/dbraw/zinc/16/63/86/618166386.db2.gz CGRYDWKCSYITJC-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1c(C[N@H+]2CCCSC[C@H]2C)cccc1[N+](=O)[O-] ZINC000934303479 618584455 /nfs/dbraw/zinc/58/44/55/618584455.db2.gz NNFDIRAWDUKYDZ-LLVKDONJSA-N 1 0 280.393 3.231 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000235073847 618644148 /nfs/dbraw/zinc/64/41/48/618644148.db2.gz CXDWJJXSVCKETD-TZMCWYRMSA-N 1 0 280.393 3.011 20 5 CGBDRO CS[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000235209287 618743183 /nfs/dbraw/zinc/74/31/83/618743183.db2.gz OXRMAMLZVLLGFZ-KBPBESRZSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@H]1C[NH+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000092085337 618836407 /nfs/dbraw/zinc/83/64/07/618836407.db2.gz BYIUULFRXWAVSU-UWVGGRQHSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000925689979 619137875 /nfs/dbraw/zinc/13/78/75/619137875.db2.gz CILMOUABBYONOA-MNOVXSKESA-N 1 0 287.319 3.107 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cnc(F)cc2C)cc1[N+](=O)[O-] ZINC000895832033 619894456 /nfs/dbraw/zinc/89/44/56/619894456.db2.gz DECZDEIMZIWRRX-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO C[C@@H](C[NH2+]CC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000897461577 620340202 /nfs/dbraw/zinc/34/02/02/620340202.db2.gz SDJVWNNAAPKTKX-LBPRGKRZSA-N 1 0 294.420 3.431 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CS[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897465019 620340708 /nfs/dbraw/zinc/34/07/08/620340708.db2.gz QKVNRYMRYSJUQU-QJPTWQEYSA-N 1 0 280.393 3.182 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897463468 620340712 /nfs/dbraw/zinc/34/07/12/620340712.db2.gz GLHCSQPKLWNWJX-KCPJHIHWSA-N 1 0 274.364 3.477 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463449 620340755 /nfs/dbraw/zinc/34/07/55/620340755.db2.gz GGADNYYTYOZCIX-IGQOVBAYSA-N 1 0 292.379 3.244 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccco1)c1ccccc1[N+](=O)[O-] ZINC000897469759 620342087 /nfs/dbraw/zinc/34/20/87/620342087.db2.gz PZKBDZQJJCQAAA-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)C1CCCC1 ZINC000054520994 620386891 /nfs/dbraw/zinc/38/68/91/620386891.db2.gz OZGHIVMPYBWZPD-UHFFFAOYSA-N 1 0 288.351 3.167 20 5 CGBDRO CC[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215171 620519234 /nfs/dbraw/zinc/51/92/34/620519234.db2.gz UZCNMQFANYRRJQ-UWVGGRQHSA-N 1 0 254.305 3.053 20 5 CGBDRO C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000927160186 620613691 /nfs/dbraw/zinc/61/36/91/620613691.db2.gz AIDJXZRXJCFSBM-SWLSCSKDSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000901643185 620959884 /nfs/dbraw/zinc/95/98/84/620959884.db2.gz POLFIYURKDNLHK-QWHCGFSZSA-N 1 0 285.347 3.444 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](c1ccccn1)C1CC1 ZINC000903104385 621577017 /nfs/dbraw/zinc/57/70/17/621577017.db2.gz UBZAVUWRGVEONL-KRWDZBQOSA-N 1 0 297.358 3.273 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903179090 621614924 /nfs/dbraw/zinc/61/49/24/621614924.db2.gz MJGUIDDSACMBNL-XHDPSFHLSA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000903260502 621647374 /nfs/dbraw/zinc/64/73/74/621647374.db2.gz VSOVLOWMWANZPA-NOLJZWGESA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903318908 621673919 /nfs/dbraw/zinc/67/39/19/621673919.db2.gz SHQPYOFDRLJIHU-QVSJOPQTSA-N 1 0 275.352 3.016 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C/Cl)C1CC1 ZINC000903443900 621756024 /nfs/dbraw/zinc/75/60/24/621756024.db2.gz LMHJVLKKTATSGG-UTPRNQHHSA-N 1 0 280.755 3.258 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644268 622094052 /nfs/dbraw/zinc/09/40/52/622094052.db2.gz PDVLNCYJMRAUQR-KBPBESRZSA-N 1 0 294.395 3.085 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000111390840 622527621 /nfs/dbraw/zinc/52/76/21/622527621.db2.gz GVLGQWZWYGAWSU-OAHLLOKOSA-N 1 0 282.343 3.414 20 5 CGBDRO CC1(C)CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170872886 623105665 /nfs/dbraw/zinc/10/56/65/623105665.db2.gz KHFDDUNYRQUHBO-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccco2)cc1[N+](=O)[O-] ZINC000035254707 623422789 /nfs/dbraw/zinc/42/27/89/623422789.db2.gz WVVYUUJKEUNRKV-GFCCVEGCSA-N 1 0 274.320 3.217 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774925 623438869 /nfs/dbraw/zinc/43/88/69/623438869.db2.gz PCGFKWCEHWPRNP-CYBMUJFWSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1cc(NC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)ccn1 ZINC000152753953 623707837 /nfs/dbraw/zinc/70/78/37/623707837.db2.gz OVNHLFFIOAITPE-UHFFFAOYSA-N 1 0 291.694 3.204 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000170872551 624715127 /nfs/dbraw/zinc/71/51/27/624715127.db2.gz CCMHIVZSUJDDEQ-UHFFFAOYSA-N 1 0 298.358 3.371 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@]12C[C@H]1CCC2 ZINC000923023198 626119763 /nfs/dbraw/zinc/11/97/63/626119763.db2.gz QMGNELSWNGRIMJ-AVXNYWLKSA-N 1 0 258.321 3.140 20 5 CGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839141853 626322938 /nfs/dbraw/zinc/32/29/38/626322938.db2.gz CDBDEHNKCLPCRB-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000839197050 626331719 /nfs/dbraw/zinc/33/17/19/626331719.db2.gz STIUZIMEKDLPBW-MDZLAQPJSA-N 1 0 264.300 3.012 20 5 CGBDRO C[C@H]([NH2+]CCCCCCCO)c1ccccc1[N+](=O)[O-] ZINC000775575584 628110321 /nfs/dbraw/zinc/11/03/21/628110321.db2.gz DEXARVACGOCQIP-ZDUSSCGKSA-N 1 0 280.368 3.188 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[N@H+](C2CC2)C2CCCC2)cc1 ZINC000776581543 628221009 /nfs/dbraw/zinc/22/10/09/628221009.db2.gz FBVNDHRICJPHAX-INIZCTEOSA-N 1 0 290.363 3.035 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582498 628221121 /nfs/dbraw/zinc/22/11/21/628221121.db2.gz RIXRNGVVMCUUHZ-LSDHHAIUSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@H]1CCCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585574 628221427 /nfs/dbraw/zinc/22/14/27/628221427.db2.gz XBQXAFTXLLFKNO-HOCLYGCPSA-N 1 0 292.379 3.283 20 5 CGBDRO CO[C@H]1CCC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000783018842 628673146 /nfs/dbraw/zinc/67/31/46/628673146.db2.gz SFAFDFNZXOLVQP-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO CSCC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783635875 628733987 /nfs/dbraw/zinc/73/39/87/628733987.db2.gz CZKFJCFBZRBJSE-VIFPVBQESA-N 1 0 288.800 3.479 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1/C=C\c1ccccc1 ZINC000791051607 629252997 /nfs/dbraw/zinc/25/29/97/629252997.db2.gz GMMIBUNWAJITTH-SNGWPZLWSA-N 1 0 274.364 3.221 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@@H]1c1cccc2ccccc21 ZINC000791052440 629253154 /nfs/dbraw/zinc/25/31/54/629253154.db2.gz NXEACSXLDKBTHL-MRXNPFEDSA-N 1 0 270.332 3.253 20 5 CGBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000802661002 630403900 /nfs/dbraw/zinc/40/39/00/630403900.db2.gz CWGVSIASKIFNLG-LLVKDONJSA-N 1 0 286.784 3.232 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000811848831 631126987 /nfs/dbraw/zinc/12/69/87/631126987.db2.gz VZGCONQCOCPBCJ-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2(O)CCC2)cc1Cl ZINC000817414460 632143582 /nfs/dbraw/zinc/14/35/82/632143582.db2.gz LEXSTOXOIKPPEK-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO CC(C)CC(C)(C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819139106 632386843 /nfs/dbraw/zinc/38/68/43/632386843.db2.gz AUNXYXRKAZCZFG-OAHLLOKOSA-N 1 0 294.395 3.290 20 5 CGBDRO CCC(CC)(CC)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819155046 632390942 /nfs/dbraw/zinc/39/09/42/632390942.db2.gz OEUGDMBZSOXQMU-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCF ZINC000866363474 633102605 /nfs/dbraw/zinc/10/26/05/633102605.db2.gz JBEVHFPGYIXRAV-JTQLQIEISA-N 1 0 272.295 3.004 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000831170448 633922121 /nfs/dbraw/zinc/92/21/21/633922121.db2.gz SLAPIDLAJQUOQR-LSDHHAIUSA-N 1 0 294.395 3.433 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1CC1 ZINC000872020821 633940812 /nfs/dbraw/zinc/94/08/12/633940812.db2.gz LHDVVTJXVSUKDE-VIFPVBQESA-N 1 0 266.366 3.377 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872026389 633946231 /nfs/dbraw/zinc/94/62/31/633946231.db2.gz ADMLAPVPXRIMLO-BJJXKVORSA-N 1 0 292.379 3.451 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033353 633951648 /nfs/dbraw/zinc/95/16/48/633951648.db2.gz BRPHUQAUGCIIQV-CMPLNLGQSA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033688 633952945 /nfs/dbraw/zinc/95/29/45/633952945.db2.gz DNYPDXGPFUBABR-RWSFTLGLSA-N 1 0 298.358 3.182 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033689 633953288 /nfs/dbraw/zinc/95/32/88/633953288.db2.gz DNYPDXGPFUBABR-ZIBATOQPSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872035778 633954502 /nfs/dbraw/zinc/95/45/02/633954502.db2.gz QOARBWOWRMQVCP-WDEREUQCSA-N 1 0 298.358 3.182 20 5 CGBDRO COC(C)(C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872043507 633966759 /nfs/dbraw/zinc/96/67/59/633966759.db2.gz IHSZNRKUXQYXRW-JTQLQIEISA-N 1 0 298.408 3.392 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000872053497 633977110 /nfs/dbraw/zinc/97/71/10/633977110.db2.gz YCGFHSJAQFUEDF-OSMZGAPFSA-N 1 0 296.342 3.342 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCOC1 ZINC000872072887 633994756 /nfs/dbraw/zinc/99/47/56/633994756.db2.gz LAYFCFBJRLYQRH-JGGQBBKZSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000872128379 634049521 /nfs/dbraw/zinc/04/95/21/634049521.db2.gz NOAAHDMHBLKGND-KCQAQPDRSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876917645 634928272 /nfs/dbraw/zinc/92/82/72/634928272.db2.gz FZMAZFHEDUSJAF-XZNOPERXSA-N 1 0 292.383 3.053 20 5 CGBDRO CC1(C)CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877463696 635046396 /nfs/dbraw/zinc/04/63/96/635046396.db2.gz FFVVKONHFOFRCR-HIFPTAJRSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000877557806 635089795 /nfs/dbraw/zinc/08/97/95/635089795.db2.gz QASVLAQXWRTTIC-HOTUBEGUSA-N 1 0 270.279 3.289 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)(C)C ZINC000843431155 635673407 /nfs/dbraw/zinc/67/34/07/635673407.db2.gz NMCTUFRDJYBHDA-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO CC[N@H+](CCSC)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843437743 635676627 /nfs/dbraw/zinc/67/66/27/635676627.db2.gz VWCRJNZDBVATLJ-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000879698827 635838033 /nfs/dbraw/zinc/83/80/33/635838033.db2.gz XQYKTYPEVJZZOS-UHFFFAOYSA-N 1 0 298.358 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@]3(CC3(F)F)C2)cc1 ZINC000844440239 635902481 /nfs/dbraw/zinc/90/24/81/635902481.db2.gz SFGJHINROPUCCH-AWEZNQCLSA-N 1 0 296.317 3.259 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000880514211 636013618 /nfs/dbraw/zinc/01/36/18/636013618.db2.gz SJWAAJNKTIXZMC-WQVCFCJDSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@]1(F)Cl ZINC000846039055 636135242 /nfs/dbraw/zinc/13/52/42/636135242.db2.gz SNHOEISTNCUXGO-CHWSQXEVSA-N 1 0 286.734 3.389 20 5 CGBDRO CCC[C@@H](C)[C@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000130728848 636505292 /nfs/dbraw/zinc/50/52/92/636505292.db2.gz QXHQDOIMBOBYPC-BXUZGUMPSA-N 1 0 294.399 3.266 20 5 CGBDRO Cc1nn(C[N@@H+]2CCC[C@H]2CC2CCCC2)cc1[N+](=O)[O-] ZINC000848506962 636581755 /nfs/dbraw/zinc/58/17/55/636581755.db2.gz QVBLJZTYHLDKHO-AWEZNQCLSA-N 1 0 292.383 3.102 20 5 CGBDRO CCC(O)(CC)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000131463409 636658156 /nfs/dbraw/zinc/65/81/56/636658156.db2.gz VZEPBUPVIVHLBP-UHFFFAOYSA-N 1 0 294.395 3.359 20 5 CGBDRO CSCC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135468034 637133756 /nfs/dbraw/zinc/13/37/56/637133756.db2.gz KLWISXVGUBNICJ-MNOVXSKESA-N 1 0 268.382 3.387 20 5 CGBDRO CCC(CC)C[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000885953879 637328640 /nfs/dbraw/zinc/32/86/40/637328640.db2.gz IGMUUOYEDSUWRB-UHFFFAOYSA-N 1 0 265.357 3.248 20 5 CGBDRO CC(C)CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885956829 637331060 /nfs/dbraw/zinc/33/10/60/637331060.db2.gz ZOTQFTODBTYINX-UHFFFAOYSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021364 637369475 /nfs/dbraw/zinc/36/94/75/637369475.db2.gz UXCXRCHJZQFKNY-MBNYWOFBSA-N 1 0 275.352 3.143 20 5 CGBDRO CCS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027280 637373544 /nfs/dbraw/zinc/37/35/44/637373544.db2.gz CZNARKREJSMENJ-CHWSQXEVSA-N 1 0 295.408 3.096 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1C ZINC000886112401 637420954 /nfs/dbraw/zinc/42/09/54/637420954.db2.gz XHNXIAFCTNXPFL-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886141039 637433564 /nfs/dbraw/zinc/43/35/64/637433564.db2.gz VZAUTRHSAALTRN-OCCSQVGLSA-N 1 0 277.368 3.438 20 5 CGBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886145288 637434221 /nfs/dbraw/zinc/43/42/21/637434221.db2.gz UFJMJAUKKUBNQV-QWHCGFSZSA-N 1 0 295.408 3.144 20 5 CGBDRO Cc1ccc(CN[C@@H](c2ccccc2)[C@H](C)[NH3+])cc1[N+](=O)[O-] ZINC000925735116 638590617 /nfs/dbraw/zinc/59/06/17/638590617.db2.gz SYDQACCZDRJWGZ-SUMWQHHRSA-N 1 0 299.374 3.081 20 5 CGBDRO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000926920855 638825547 /nfs/dbraw/zinc/82/55/47/638825547.db2.gz WTWYPFGQWIUUGR-DAXOMENPSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927025713 638833325 /nfs/dbraw/zinc/83/33/25/638833325.db2.gz YKPNNSGOWDSMEX-WFASDCNBSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000927025710 638833373 /nfs/dbraw/zinc/83/33/73/638833373.db2.gz YKPNNSGOWDSMEX-DOMZBBRYSA-N 1 0 278.352 3.205 20 5 CGBDRO COC/C(C)=C\C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000930140468 638977540 /nfs/dbraw/zinc/97/75/40/638977540.db2.gz ADWIBZNDSKHSBI-LCYFTJDESA-N 1 0 290.363 3.152 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@@H](c1ccc(Cl)cc1)C1CCC1 ZINC000930216462 638983399 /nfs/dbraw/zinc/98/33/99/638983399.db2.gz IFHGGIMRQMQFJC-CYBMUJFWSA-N 1 0 268.744 3.048 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000930234741 638984865 /nfs/dbraw/zinc/98/48/65/638984865.db2.gz GJEVFLFLVGUVKH-RQJABVFESA-N 1 0 292.379 3.449 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000934665787 639652082 /nfs/dbraw/zinc/65/20/82/639652082.db2.gz YKJXVBACERIWJO-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO CCCC[N@H+](CC)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000075582345 640144196 /nfs/dbraw/zinc/14/41/96/640144196.db2.gz RGMZZLBAVMURIP-UHFFFAOYSA-N 1 0 276.340 3.024 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773457 640802332 /nfs/dbraw/zinc/80/23/32/640802332.db2.gz VKKYGIBTSUQHPQ-UWVGGRQHSA-N 1 0 254.305 3.258 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2ccc3c(c2)CC[NH2+]C3)c1F ZINC001159601374 806128817 /nfs/dbraw/zinc/12/88/17/806128817.db2.gz WXVZZKQFAVYSFA-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001253442351 806219345 /nfs/dbraw/zinc/21/93/45/806219345.db2.gz LAISLUMKQPBFMC-OLZOCXBDSA-N 1 0 299.321 3.158 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001253442349 806219783 /nfs/dbraw/zinc/21/97/83/806219783.db2.gz LAISLUMKQPBFMC-CHWSQXEVSA-N 1 0 299.321 3.158 20 5 CGBDRO CC1(C)C[NH2+]Cc2cc(Nc3ccc([N+](=O)[O-])nc3)ccc21 ZINC001160286120 806250375 /nfs/dbraw/zinc/25/03/75/806250375.db2.gz DICBZVVZUWYCDZ-UHFFFAOYSA-N 1 0 298.346 3.114 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccncc1 ZINC001254530877 806444425 /nfs/dbraw/zinc/44/44/25/806444425.db2.gz BLFMKXOWXHGAQL-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccnc2)CC1 ZINC001254544988 806446140 /nfs/dbraw/zinc/44/61/40/806446140.db2.gz ZALGAXSQJNPPRC-CYBMUJFWSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2ncccc21 ZINC001254542429 806446377 /nfs/dbraw/zinc/44/63/77/806446377.db2.gz NBYXTJHLPBCGNZ-WBMJQRKESA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CCC2 ZINC001254546363 806448305 /nfs/dbraw/zinc/44/83/05/806448305.db2.gz RSTXFRNZKCRAMS-BXUZGUMPSA-N 1 0 260.337 3.058 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562418 806450827 /nfs/dbraw/zinc/45/08/27/806450827.db2.gz MFHTYBQNZZPVPW-GXTWGEPZSA-N 1 0 262.353 3.400 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254574888 806454020 /nfs/dbraw/zinc/45/40/20/806454020.db2.gz LSOZJYRVBXMMQT-WBVHZDCISA-N 1 0 297.358 3.198 20 5 CGBDRO CC[C@H](C)C[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575362 806454250 /nfs/dbraw/zinc/45/42/50/806454250.db2.gz QALBTCDPEKMBSL-YWPYICTPSA-N 1 0 276.380 3.476 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254581670 806456185 /nfs/dbraw/zinc/45/61/85/806456185.db2.gz PXYWTEHGSVICMI-HZUKXOBISA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+]1C[C@@H]3CCCC[C@@H]3C1)C2 ZINC001254596874 806456750 /nfs/dbraw/zinc/45/67/50/806456750.db2.gz GFBKXXLNUAOOQG-VBQJREDUSA-N 1 0 286.375 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCc3ccccc3C1)C2 ZINC001254597838 806457338 /nfs/dbraw/zinc/45/73/38/806457338.db2.gz HXNWUELZVOLAAI-SFHVURJKSA-N 1 0 294.354 3.120 20 5 CGBDRO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H](C)C1 ZINC001254603019 806458660 /nfs/dbraw/zinc/45/86/60/806458660.db2.gz KLQDNMARJDQJTQ-BFQNTYOBSA-N 1 0 274.364 3.182 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601100 806458944 /nfs/dbraw/zinc/45/89/44/806458944.db2.gz ZGNQJEADCIWUBM-WBMJQRKESA-N 1 0 274.364 3.184 20 5 CGBDRO C[N@H+](C[C@H]1CC1(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604751 806460177 /nfs/dbraw/zinc/46/01/77/806460177.db2.gz XLQWSEXFBGSRSQ-HIFRSBDPSA-N 1 0 274.364 3.040 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000036993397 798854221 /nfs/dbraw/zinc/85/42/21/798854221.db2.gz FOGHDKFFVYTODI-NEPJUHHUSA-N 1 0 274.320 3.470 20 5 CGBDRO CC[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CC1 ZINC000037079978 798858010 /nfs/dbraw/zinc/85/80/10/798858010.db2.gz HBQRFAYUMZNKHM-UHFFFAOYSA-N 1 0 254.717 3.233 20 5 CGBDRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037110112 798859374 /nfs/dbraw/zinc/85/93/74/798859374.db2.gz SGANIYMNOXVTJV-SECBINFHSA-N 1 0 256.733 3.479 20 5 CGBDRO CCN(CCC[NH+]1CCCC1)c1cc(C)sc1[N+](=O)[O-] ZINC001163076423 806701045 /nfs/dbraw/zinc/70/10/45/806701045.db2.gz PFUROMWSFPBZFS-UHFFFAOYSA-N 1 0 297.424 3.277 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C(C)(C)C ZINC000134648274 799037074 /nfs/dbraw/zinc/03/70/74/799037074.db2.gz AGWTVDRZJSSJMN-SECBINFHSA-N 1 0 254.305 3.258 20 5 CGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311956075 799226846 /nfs/dbraw/zinc/22/68/46/799226846.db2.gz HDYRUCQDFYYVNH-LBPRGKRZSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)sn1 ZINC000404362028 799575745 /nfs/dbraw/zinc/57/57/45/799575745.db2.gz FNORAHOKUITADF-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000693131148 799807358 /nfs/dbraw/zinc/80/73/58/799807358.db2.gz KSGVBZPEBCGWSE-LLVKDONJSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000694801808 799824575 /nfs/dbraw/zinc/82/45/75/799824575.db2.gz YZPGALZDIYWMSU-DDFAGTSDSA-N 1 0 298.770 3.294 20 5 CGBDRO O=[N+]([O-])c1ccc(OC[C@H]2CCCC[NH2+]C2)c(Cl)c1 ZINC000697087208 799842584 /nfs/dbraw/zinc/84/25/84/799842584.db2.gz OJRNDPFPFGFXGT-JTQLQIEISA-N 1 0 284.743 3.017 20 5 CGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000721193237 800280262 /nfs/dbraw/zinc/28/02/62/800280262.db2.gz HBDRKXOKFCOASZ-ZIAGYGMSSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@H](C[NH+](C)C)Nc1ncnc2cc3ccccc3cc21 ZINC001163778226 806824539 /nfs/dbraw/zinc/82/45/39/806824539.db2.gz DYZQKQTZTACQFP-GFCCVEGCSA-N 1 0 280.375 3.145 20 5 CGBDRO C[C@@H](CC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120497320 802746609 /nfs/dbraw/zinc/74/66/09/802746609.db2.gz UHFLMTXNEFCACN-FZMZJTMJSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cc[nH+]c(C2CC2)c1 ZINC001249544758 805170824 /nfs/dbraw/zinc/17/08/24/805170824.db2.gz MFWWFJABRRNBMA-UHFFFAOYSA-N 1 0 270.292 3.314 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001167487328 807199086 /nfs/dbraw/zinc/19/90/86/807199086.db2.gz KBWHIPALFRCCDF-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCCOC(F)(F)F ZINC001168166306 807329957 /nfs/dbraw/zinc/32/99/57/807329957.db2.gz HWZHLQCZCLTSGR-UHFFFAOYSA-N 1 0 291.337 3.231 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1Cl ZINC001168961854 807541341 /nfs/dbraw/zinc/54/13/41/807541341.db2.gz KHVYNNFFWKPZOB-SDDRHHMPSA-N 1 0 282.771 3.436 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001168957406 807541914 /nfs/dbraw/zinc/54/19/14/807541914.db2.gz HHRYWYDLQYUSGU-XNRPHZJLSA-N 1 0 274.364 3.099 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001168956487 807542037 /nfs/dbraw/zinc/54/20/37/807542037.db2.gz BABKTFUGWMHUGA-GHMZBOCLSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001168967384 807542383 /nfs/dbraw/zinc/54/23/83/807542383.db2.gz PLJLXZWFOPCFDY-HIFRSBDPSA-N 1 0 296.798 3.308 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001168967370 807542615 /nfs/dbraw/zinc/54/26/15/807542615.db2.gz PBOPYGYTTKFBQD-SKDRFNHKSA-N 1 0 286.734 3.014 20 5 CGBDRO CCCCCC(C)(C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978033 807545360 /nfs/dbraw/zinc/54/53/60/807545360.db2.gz NWGZVFPZBVCYGY-CHWSQXEVSA-N 1 0 256.390 3.380 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001168979527 807545614 /nfs/dbraw/zinc/54/56/14/807545614.db2.gz YZVCCTINBYLYPD-JGGQBBKZSA-N 1 0 274.364 3.017 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1 ZINC001168980679 807545845 /nfs/dbraw/zinc/54/58/45/807545845.db2.gz FNLIVCGDHMSTEH-UHIISALHSA-N 1 0 282.771 3.436 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC001168978962 807546069 /nfs/dbraw/zinc/54/60/69/807546069.db2.gz VWNGNPKWRADQNY-OCCSQVGLSA-N 1 0 290.388 3.436 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168983787 807547335 /nfs/dbraw/zinc/54/73/35/807547335.db2.gz LERSGRGKXBYJMU-YPMHNXCESA-N 1 0 282.771 3.183 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC001168989297 807547954 /nfs/dbraw/zinc/54/79/54/807547954.db2.gz VQZWFAQJSDMDKJ-CABCVRRESA-N 1 0 268.401 3.382 20 5 CGBDRO C[C@H]([NH3+])c1cn([C@@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169001165 807549019 /nfs/dbraw/zinc/54/90/19/807549019.db2.gz DCUHGORPWAXLBE-RWMBFGLXSA-N 1 0 287.363 3.279 20 5 CGBDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169001052 807549414 /nfs/dbraw/zinc/54/94/14/807549414.db2.gz CNZZCZOXIYNMNV-MELADBBJSA-N 1 0 292.379 3.181 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001169006541 807550233 /nfs/dbraw/zinc/55/02/33/807550233.db2.gz YRZXNOHJPBUASU-OBJOEFQTSA-N 1 0 280.343 3.230 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H]2c2ccc(Cl)cc2)C1 ZINC001169008578 807551136 /nfs/dbraw/zinc/55/11/36/807551136.db2.gz SRIZLIXFNVLPPB-KAOXEZKKSA-N 1 0 294.782 3.231 20 5 CGBDRO C[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169008648 807552044 /nfs/dbraw/zinc/55/20/44/807552044.db2.gz SUAPLHGCYNDSJJ-IPYPFGDCSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C1 ZINC001169039824 807557456 /nfs/dbraw/zinc/55/74/56/807557456.db2.gz UJMBSZGOSGSCQA-BHYGNILZSA-N 1 0 288.391 3.311 20 5 CGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001169554559 807665710 /nfs/dbraw/zinc/66/57/10/807665710.db2.gz KQYPZQMTGFURKU-KGLIPLIRSA-N 1 0 294.399 3.048 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]CCC(C)C)c([N+](=O)[O-])c1 ZINC001170300223 807821735 /nfs/dbraw/zinc/82/17/35/807821735.db2.gz YOHDWUSSYACOHO-GFCCVEGCSA-N 1 0 280.368 3.170 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2CC23CCC3)c([N+](=O)[O-])c1 ZINC001170324578 807826223 /nfs/dbraw/zinc/82/62/23/807826223.db2.gz RBAFXMKQFRWATO-NHYWBVRUSA-N 1 0 290.363 3.067 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329405 807826947 /nfs/dbraw/zinc/82/69/47/807826947.db2.gz QDKVEXZUDOSMSC-VXGBXAGGSA-N 1 0 278.352 3.019 20 5 CGBDRO Cc1cccc(-n2c(CC[NH3+])cc3ccccc32)c1[N+](=O)[O-] ZINC001171302994 808023160 /nfs/dbraw/zinc/02/31/60/808023160.db2.gz YHCQBXDFXLUSEN-UHFFFAOYSA-N 1 0 295.342 3.348 20 5 CGBDRO CCC(CC)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175007 808531463 /nfs/dbraw/zinc/53/14/63/808531463.db2.gz IMXKWKDDGXZECT-JTQLQIEISA-N 1 0 298.358 3.452 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2CCC2)c1F ZINC001173174663 808532095 /nfs/dbraw/zinc/53/20/95/808532095.db2.gz AISLEQOTLNLZTF-JTQLQIEISA-N 1 0 296.342 3.063 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184070 808533874 /nfs/dbraw/zinc/53/38/74/808533874.db2.gz CQOQMIYPJSXDFG-GHMZBOCLSA-N 1 0 298.358 3.404 20 5 CGBDRO Cc1cnccc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212287 808537602 /nfs/dbraw/zinc/53/76/02/808537602.db2.gz ZCGFIZPAKOXDKC-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(C)C1 ZINC001173211161 808537687 /nfs/dbraw/zinc/53/76/87/808537687.db2.gz QEOXZQOWJIZDJA-LXVYMNJGSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@H]1F ZINC001173212229 808537870 /nfs/dbraw/zinc/53/78/70/808537870.db2.gz XVZXGURYMKNRGY-CORIIIEPSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1Cc2ccccc2C1 ZINC001173217498 808538649 /nfs/dbraw/zinc/53/86/49/808538649.db2.gz VRFMCEKORNROAE-ZDUSSCGKSA-N 1 0 296.370 3.283 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccc(N)cc1 ZINC001173220053 808540319 /nfs/dbraw/zinc/54/03/19/808540319.db2.gz SJINMIQMZPZHLK-CHWSQXEVSA-N 1 0 299.374 3.459 20 5 CGBDRO Cc1cnc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173220829 808540483 /nfs/dbraw/zinc/54/04/83/808540483.db2.gz HDCOUROXOGGXDB-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C2CCC1CC2 ZINC001173225657 808541296 /nfs/dbraw/zinc/54/12/96/808541296.db2.gz FFDCCMZSMDQXOH-LMWSTFAQSA-N 1 0 260.337 3.153 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccn1 ZINC001173225343 808541301 /nfs/dbraw/zinc/54/13/01/808541301.db2.gz JMCWXUQZDOWIHW-ZDUSSCGKSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H](F)C1 ZINC001173228915 808542940 /nfs/dbraw/zinc/54/29/40/808542940.db2.gz NPXGKERCZDQLLI-GXTWGEPZSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC001173230002 808543301 /nfs/dbraw/zinc/54/33/01/808543301.db2.gz WYOQVGJLKCFIQM-LLVKDONJSA-N 1 0 296.317 3.257 20 5 CGBDRO Cc1ccnc(CC[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231614 808543546 /nfs/dbraw/zinc/54/35/46/808543546.db2.gz BHVDXDMIPSUTLZ-AWEZNQCLSA-N 1 0 299.374 3.062 20 5 CGBDRO C=C/C=C\CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001179472868 809922911 /nfs/dbraw/zinc/92/29/11/809922911.db2.gz BORSFLGEEQHNBZ-WAYWQWQTSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC001180280830 809988779 /nfs/dbraw/zinc/98/87/79/809988779.db2.gz NRYCZSFRMRSHRW-GXTWGEPZSA-N 1 0 292.379 3.211 20 5 CGBDRO CC(C)CCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001180497097 810006096 /nfs/dbraw/zinc/00/60/96/810006096.db2.gz DFGMGGLDLOCWOR-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC001184998934 810228224 /nfs/dbraw/zinc/22/82/24/810228224.db2.gz IYEIVZXQBCAJLW-IJLUTSLNSA-N 1 0 297.424 3.435 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC001195289376 811238035 /nfs/dbraw/zinc/23/80/35/811238035.db2.gz MAKVVOYLOQLAHS-TUAOUCFPSA-N 1 0 278.352 3.080 20 5 CGBDRO [NH3+]C1CN(Cc2c3ccccc3cc3ccccc32)C1 ZINC001204854197 812755268 /nfs/dbraw/zinc/75/52/68/812755268.db2.gz HJZZFBVNFVUHMR-UHFFFAOYSA-N 1 0 262.356 3.136 20 5 CGBDRO Cn1ccc(Nc2ccc3cc4ccc(N)cc4[nH+]c3c2)n1 ZINC001210353235 814418600 /nfs/dbraw/zinc/41/86/00/814418600.db2.gz JFDFEZCUHFJBRK-UHFFFAOYSA-N 1 0 289.342 3.447 20 5 CGBDRO O=[N+]([O-])c1cc(Nc2ccc3[nH+]ccn3c2)ccc1F ZINC001211190617 814844006 /nfs/dbraw/zinc/84/40/06/814844006.db2.gz VZKOGFNFCZPCIC-UHFFFAOYSA-N 1 0 272.239 3.125 20 5 CGBDRO Cc1ccc(CO[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001217941418 816007221 /nfs/dbraw/zinc/00/72/21/816007221.db2.gz QKLWXLJMKIKTSI-QGZVFWFLSA-N 1 0 298.342 3.264 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001217952394 816015140 /nfs/dbraw/zinc/01/51/40/816015140.db2.gz XBRICDGBKZEWEH-HAQNSBGRSA-N 1 0 278.352 3.022 20 5 CGBDRO F[C@H]1CC[NH2+]C[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001217958306 816018022 /nfs/dbraw/zinc/01/80/22/816018022.db2.gz CCCLFDJLNOSAHI-RDJZCZTQSA-N 1 0 296.345 3.467 20 5 CGBDRO O=c1c2ccccc2oc2cc(O[C@@H]3CCC[NH2+]C3)ccc21 ZINC001217961352 816018488 /nfs/dbraw/zinc/01/84/88/816018488.db2.gz AOXFXWJWBTXUIU-CYBMUJFWSA-N 1 0 295.338 3.077 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(OC3CC[NH2+]CC3)cc2)cc1 ZINC001217963909 816020142 /nfs/dbraw/zinc/02/01/42/816020142.db2.gz BRUIPIGHFOKNSD-UHFFFAOYSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001217984815 816032372 /nfs/dbraw/zinc/03/23/72/816032372.db2.gz APAVNGNXEIYUTN-TVQRCGJNSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C[NH2+]1 ZINC001218037343 816068581 /nfs/dbraw/zinc/06/85/81/816068581.db2.gz OMXGTOLJDUELBF-RNFRBKRXSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218043290 816070506 /nfs/dbraw/zinc/07/05/06/816070506.db2.gz JMSHMOGRLTVLKN-IAQYHMDHSA-N 1 0 286.331 3.125 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218064946 816082818 /nfs/dbraw/zinc/08/28/18/816082818.db2.gz CCCUHYIXKMNQHA-RDJZCZTQSA-N 1 0 296.345 3.467 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218067073 816085006 /nfs/dbraw/zinc/08/50/06/816085006.db2.gz QNFZYGAISXYODC-ZBFHGGJFSA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218096611 816097008 /nfs/dbraw/zinc/09/70/08/816097008.db2.gz UJKBRSNPXZTHEB-TZMCWYRMSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OC2CC3(C2)CC[NH2+]CC3)c1 ZINC001218102937 816100458 /nfs/dbraw/zinc/10/04/58/816100458.db2.gz JKUIDFTUJWIYEE-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])CC1 ZINC001218186907 816119917 /nfs/dbraw/zinc/11/99/17/816119917.db2.gz CMKKHRBYGYNUNH-XYPYZODXSA-N 1 0 298.770 3.466 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OC2CC3(C2)CCC[NH2+]C3)c1 ZINC001218252161 816142157 /nfs/dbraw/zinc/14/21/57/816142157.db2.gz QKODVSAAETVAME-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO CC1(C)C[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC001218476745 816234099 /nfs/dbraw/zinc/23/40/99/816234099.db2.gz SQUSGZCSPWWVFJ-SNVBAGLBSA-N 1 0 284.743 3.158 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428068 816628775 /nfs/dbraw/zinc/62/87/75/816628775.db2.gz BTRAWLXUFXXMHE-IUODEOHRSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1cccc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1[N+](=O)[O-] ZINC001223658835 816663928 /nfs/dbraw/zinc/66/39/28/816663928.db2.gz GLYOZJNTRKDHFE-QDMKHBRRSA-N 1 0 290.363 3.045 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001224773234 816878306 /nfs/dbraw/zinc/87/83/06/816878306.db2.gz GYZPTQKIVVVJJN-NSHDSACASA-N 1 0 292.321 3.369 20 5 CGBDRO C[NH+]1C(C)(C)CC(Oc2ncccc2[N+](=O)[O-])CC1(C)C ZINC001225593464 817104112 /nfs/dbraw/zinc/10/41/12/817104112.db2.gz RHIONWBOIXULHB-UHFFFAOYSA-N 1 0 293.367 3.020 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Br)cc1F ZINC001225691209 817143230 /nfs/dbraw/zinc/14/32/30/817143230.db2.gz OQCOGEHGPDVVIH-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226762425 817456397 /nfs/dbraw/zinc/45/63/97/817456397.db2.gz SOJHJBWBSMUDFB-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1cc(Cl)c(Cl)cc1[N+](=O)[O-] ZINC001227127626 817566186 /nfs/dbraw/zinc/56/61/86/817566186.db2.gz ZPCAMXFSXMXJGI-ZETCQYMHSA-N 1 0 293.150 3.231 20 5 CGBDRO CCCCOc1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001227945400 817761265 /nfs/dbraw/zinc/76/12/65/817761265.db2.gz LDPZPIPJNXCRSZ-AWEZNQCLSA-N 1 0 266.405 3.339 20 5 CGBDRO CC[NH+]1CCC(Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001228001583 817779365 /nfs/dbraw/zinc/77/93/65/817779365.db2.gz APLXDHHQFOAEIE-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO CC(=O)c1cc2cccc(O[C@@H](C)C[N+](C)(C)C)c2o1 ZINC001228149930 817825337 /nfs/dbraw/zinc/82/53/37/817825337.db2.gz NNUPZBXNTALREB-NSHDSACASA-N 1 0 276.356 3.109 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2nc3ccccc3nc21 ZINC001228518202 817926766 /nfs/dbraw/zinc/92/67/66/817926766.db2.gz DGBKTENTIPSPCT-ZDUSSCGKSA-N 1 0 296.394 3.257 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228523230 817927577 /nfs/dbraw/zinc/92/75/77/817927577.db2.gz SRUWQIBGGYGHMM-CYBMUJFWSA-N 1 0 293.370 3.256 20 5 CGBDRO CC[NH+]1CCC(Oc2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC001228571179 817941674 /nfs/dbraw/zinc/94/16/74/817941674.db2.gz LDLMUKXRSXRAOK-UHFFFAOYSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1ccnc2cc(O[C@H](C)C[N+](C)(C)C)ccc12 ZINC001228736532 817993384 /nfs/dbraw/zinc/99/33/84/817993384.db2.gz LBZTZQJWUCNXLX-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2cccc(Cl)c2c1 ZINC001231144058 818042592 /nfs/dbraw/zinc/04/25/92/818042592.db2.gz ONNTUQRRQWIBJV-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncccc1-c1ccccc1 ZINC001233980175 818745860 /nfs/dbraw/zinc/74/58/60/818745860.db2.gz HRPCQHGCJYCXOI-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO COc1c(Cl)cc(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001234227694 818807518 /nfs/dbraw/zinc/80/75/18/818807518.db2.gz SCUZBXYTQGSGPT-SECBINFHSA-N 1 0 293.214 3.476 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c2cc(O)ccc12 ZINC001234691974 818917140 /nfs/dbraw/zinc/91/71/40/818917140.db2.gz HNMOITYYFPKUIS-NSHDSACASA-O 1 0 278.347 3.158 20 5 CGBDRO CCc1cc(N2Cc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC001344112349 936526199 /nfs/dbraw/zinc/52/61/99/936526199.db2.gz CKYWTAYCVRYHCJ-UHFFFAOYSA-N 1 0 269.304 3.072 20 5 CGBDRO CCOc1ccccc1[C@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC001345066522 936799718 /nfs/dbraw/zinc/79/97/18/936799718.db2.gz TXEKKWVTTINTLR-AWEZNQCLSA-N 1 0 280.368 3.039 20 5 CGBDRO O=[N+]([O-])c1cccc(CNc2cc[nH+]cc2C(F)(F)F)c1 ZINC001472697853 937105230 /nfs/dbraw/zinc/10/52/30/937105230.db2.gz QGLNQWOLJMYPMO-UHFFFAOYSA-N 1 0 297.236 3.043 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2ccccc2nc1Cl ZINC001229129430 927322840 /nfs/dbraw/zinc/32/28/40/927322840.db2.gz OQWDQOOHFOFPBU-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO COCc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037762762 928692257 /nfs/dbraw/zinc/69/22/57/928692257.db2.gz RMZUPUBAWRPYHQ-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC[C@@H]1C[NH+]2CCC1CC2 ZINC001458701232 937472581 /nfs/dbraw/zinc/47/25/81/937472581.db2.gz IPDUTYDLBWNCJK-LLVKDONJSA-N 1 0 295.770 3.002 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])cc1C ZINC001228916516 932051957 /nfs/dbraw/zinc/05/19/57/932051957.db2.gz UACFVEMNSBUEKT-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2ccc(/C=C/[N+](=O)[O-])cc2)C1 ZINC001229115073 932099337 /nfs/dbraw/zinc/09/93/37/932099337.db2.gz PJNGDAQWFQMDKF-PXUDHTSWSA-N 1 0 290.363 3.186 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001229199173 932114668 /nfs/dbraw/zinc/11/46/68/932114668.db2.gz UCQYQZYMIUVDOX-ITGUQSILSA-N 1 0 294.326 3.046 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)cc(C)c1[N+](=O)[O-] ZINC001229469939 932157397 /nfs/dbraw/zinc/15/73/97/932157397.db2.gz LSYKASQUDSVGRP-AWEZNQCLSA-N 1 0 292.379 3.463 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(C)c2C)C1 ZINC001229881240 932497606 /nfs/dbraw/zinc/49/76/06/932497606.db2.gz PXRKRKBXGWPUQG-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO CC[NH+]1CCC(Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229962161 932511558 /nfs/dbraw/zinc/51/15/58/932511558.db2.gz QPMMDUHEQFPHDA-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cc(Cl)cnc2c1 ZINC001230581847 932592906 /nfs/dbraw/zinc/59/29/06/932592906.db2.gz DMPLTLNYEIYAMI-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO CCC(CC)C[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC001462030986 937613441 /nfs/dbraw/zinc/61/34/41/937613441.db2.gz WOXQYZAJDYKHMO-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO Cc1nc2cc(Cl)ccc2c(O[C@H](C)C[N+](C)(C)C)n1 ZINC001230800944 932626538 /nfs/dbraw/zinc/62/65/38/932626538.db2.gz GWXPKTGAOKXCCJ-SNVBAGLBSA-N 1 0 294.806 3.065 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001308976126 933219490 /nfs/dbraw/zinc/21/94/90/933219490.db2.gz QLMYLVIWPJAMCZ-OKILXGFUSA-N 1 0 274.364 3.444 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1cc(C)sc1[N+](=O)[O-] ZINC001472905208 937788677 /nfs/dbraw/zinc/78/86/77/937788677.db2.gz NJBQPEKQKHEFNL-SNVBAGLBSA-N 1 0 285.413 3.497 20 5 CGBDRO Cc1ccc(C[N@H+](C)C[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC001473675758 937817059 /nfs/dbraw/zinc/81/70/59/937817059.db2.gz YYHXRBNOEMBDAP-CYBMUJFWSA-N 1 0 262.353 3.381 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC001329643931 935237037 /nfs/dbraw/zinc/23/70/37/935237037.db2.gz RLMPAUHKELZEHL-WCABBAIRSA-N 1 0 252.289 3.183 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001473859308 937825190 /nfs/dbraw/zinc/82/51/90/937825190.db2.gz GURYLALAXONVOM-CYBMUJFWSA-N 1 0 266.316 3.498 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1ccc2cc[nH]c2c1 ZINC001474131823 937841281 /nfs/dbraw/zinc/84/12/81/937841281.db2.gz RNCMCXHOBQLJDI-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC[N@@H+]1C[C@@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC001559155391 938221305 /nfs/dbraw/zinc/22/13/05/938221305.db2.gz HKLKYQFMGBLJER-GHMZBOCLSA-N 1 0 297.786 3.167 20 5 CGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC001559654186 938232026 /nfs/dbraw/zinc/23/20/26/938232026.db2.gz DCELOYQIVJZLCR-KGLIPLIRSA-N 1 0 292.379 3.342 20 5 CGBDRO CO[C@H](C)C[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001560635589 938266767 /nfs/dbraw/zinc/26/67/67/938266767.db2.gz IGTHZJQROIUXIB-CYBMUJFWSA-N 1 0 294.395 3.457 20 5 CGBDRO CC[C@H](C)[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696872 938270732 /nfs/dbraw/zinc/27/07/32/938270732.db2.gz GAGXZIOVBSSWJL-BLLLJJGKSA-N 1 0 292.379 3.014 20 5 CGBDRO CCc1ccccc1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001560815643 938277519 /nfs/dbraw/zinc/27/75/19/938277519.db2.gz ISKISLFMVBKBJV-UHFFFAOYSA-N 1 0 299.374 3.123 20 5 CGBDRO C[C@@H]([NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC001561003805 938288712 /nfs/dbraw/zinc/28/87/12/938288712.db2.gz GFJAJJAQMPGJJD-WCUVEOEZSA-N 1 0 260.337 3.434 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000217886209 957868647 /nfs/dbraw/zinc/86/86/47/957868647.db2.gz QSNUUEWGBVKWSA-HUUCEWRRSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1cc(SCC2CC[NH2+]CC2)c(F)cc1[N+](=O)[O-] ZINC001579640706 962648888 /nfs/dbraw/zinc/64/88/88/962648888.db2.gz CDEPQEWBXPYFBB-UHFFFAOYSA-N 1 0 284.356 3.134 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CC3)CC2)cc1 ZINC000590008109 346821980 /nfs/dbraw/zinc/82/19/80/346821980.db2.gz DPNUGVIENBSAKV-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO CC1CC[NH+](CCSc2cccc([N+](=O)[O-])c2)CC1 ZINC000337736317 214239381 /nfs/dbraw/zinc/23/93/81/214239381.db2.gz AITFEHNOJHMRQB-UHFFFAOYSA-N 1 0 280.393 3.419 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)cc1 ZINC000590602852 346854153 /nfs/dbraw/zinc/85/41/53/346854153.db2.gz ZGYHYYGDKVWYIU-HNNXBMFYSA-N 1 0 297.358 3.369 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000273118003 192048829 /nfs/dbraw/zinc/04/88/29/192048829.db2.gz RDKWMQBJYJUTLX-ZDUSSCGKSA-N 1 0 286.759 3.009 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449483498 529456177 /nfs/dbraw/zinc/45/61/77/529456177.db2.gz IYZYFXCIOBTLKU-SCRDCRAPSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000414116580 529608196 /nfs/dbraw/zinc/60/81/96/529608196.db2.gz QWWNFOBYLWMETK-BNOWGMLFSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@@H]1C[C@@H]1C ZINC000414080971 529624760 /nfs/dbraw/zinc/62/47/60/529624760.db2.gz UBZFRGGXNIAHBK-GDLCADMTSA-N 1 0 278.352 3.128 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCS[C@H]2C)cccc1[N+](=O)[O-] ZINC000592398557 346983743 /nfs/dbraw/zinc/98/37/43/346983743.db2.gz JSNNZHCVPMOTEO-GMXVVIOVSA-N 1 0 280.393 3.448 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000592398789 346984011 /nfs/dbraw/zinc/98/40/11/346984011.db2.gz UJSJQOXRZPQSCV-BJJXKVORSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593058784 347033395 /nfs/dbraw/zinc/03/33/95/347033395.db2.gz OMNSQQCAZBLXAQ-GOEBONIOSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593116725 347041450 /nfs/dbraw/zinc/04/14/50/347041450.db2.gz OCQIPPUHGAIARJ-ZWNOBZJWSA-N 1 0 282.290 3.387 20 5 CGBDRO C[C@H](C1CC1)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047908995 345056797 /nfs/dbraw/zinc/05/67/97/345056797.db2.gz WUYTXFNCBXWRDA-GFCCVEGCSA-N 1 0 290.363 3.237 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCc2ccccc2C1 ZINC000051114197 345087175 /nfs/dbraw/zinc/08/71/75/345087175.db2.gz PIRMZNNSCRLKCC-UHFFFAOYSA-N 1 0 298.342 3.032 20 5 CGBDRO CC[NH+](CC)[C@@H](CNc1ccncc1[N+](=O)[O-])CC(C)C ZINC000060342919 345213810 /nfs/dbraw/zinc/21/38/10/345213810.db2.gz RPBKQRMXXULYNK-CYBMUJFWSA-N 1 0 294.399 3.158 20 5 CGBDRO CCC[NH+](CCC)CCOc1ccc([N+](=O)[O-])cc1 ZINC000065533554 345274158 /nfs/dbraw/zinc/27/41/58/345274158.db2.gz LXHHNPWIQXAGNR-UHFFFAOYSA-N 1 0 266.341 3.096 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021392 345490054 /nfs/dbraw/zinc/49/00/54/345490054.db2.gz YNWYLLYADASUDL-MWLCHTKSSA-N 1 0 254.355 3.277 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000078575490 345613679 /nfs/dbraw/zinc/61/36/79/345613679.db2.gz UOCKRYNMXUIYNA-LBPRGKRZSA-N 1 0 297.786 3.169 20 5 CGBDRO CCC(C)(CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000086247121 345749383 /nfs/dbraw/zinc/74/93/83/345749383.db2.gz NTWVWJKCSZZDKJ-UHFFFAOYSA-N 1 0 250.342 3.306 20 5 CGBDRO CC1(C)CCC(O)(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000087048382 345752621 /nfs/dbraw/zinc/75/26/21/345752621.db2.gz RJIPWUOFZJXGMN-UHFFFAOYSA-N 1 0 292.379 3.016 20 5 CGBDRO CCOC[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000081520660 345711401 /nfs/dbraw/zinc/71/14/01/345711401.db2.gz VCEKVKCCEQCJAM-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000091475964 345816034 /nfs/dbraw/zinc/81/60/34/345816034.db2.gz XPFQJMJSHYTZFO-CYBMUJFWSA-N 1 0 277.368 3.127 20 5 CGBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)C ZINC000090910123 345796930 /nfs/dbraw/zinc/79/69/30/345796930.db2.gz ROCZGMBZMYHTPJ-CQSZACIVSA-N 1 0 250.342 3.162 20 5 CGBDRO Cc1ccc(C[N@@H+](C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000092217624 345833154 /nfs/dbraw/zinc/83/31/54/345833154.db2.gz RYBXRSSDQPLEPY-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO C[C@@H](CC1CCC1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130588921 346059313 /nfs/dbraw/zinc/05/93/13/346059313.db2.gz YTPLVORKFPDIPC-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178432727 232390624 /nfs/dbraw/zinc/39/06/24/232390624.db2.gz GFXMXATVSNITQH-CHWSQXEVSA-N 1 0 294.395 3.351 20 5 CGBDRO CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2)CC(C)(C)[NH2+]1 ZINC000196643169 346276449 /nfs/dbraw/zinc/27/64/49/346276449.db2.gz HZJVQHZGBMXNMC-UHFFFAOYSA-N 1 0 277.368 3.316 20 5 CGBDRO CC1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000303875358 346448061 /nfs/dbraw/zinc/44/80/61/346448061.db2.gz IIJMXQIJOMLGGG-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO CC[N@@H+]1CCC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314223425 346481148 /nfs/dbraw/zinc/48/11/48/346481148.db2.gz XHHGOEYSEIFHCP-NSHDSACASA-N 1 0 299.321 3.429 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ncc(F)cc1[N+](=O)[O-] ZINC000401215648 346592189 /nfs/dbraw/zinc/59/21/89/346592189.db2.gz UTZDCIXIOMVDRB-LLVKDONJSA-N 1 0 298.362 3.051 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403571849 346597214 /nfs/dbraw/zinc/59/72/14/346597214.db2.gz XRLMFKVSQXYKHM-BZPMIXESSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C(C1CC1)C1CC1 ZINC000594504509 347180767 /nfs/dbraw/zinc/18/07/67/347180767.db2.gz OGGAKRJDUKFRDD-CQSZACIVSA-N 1 0 272.348 3.360 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594515845 347185884 /nfs/dbraw/zinc/18/58/84/347185884.db2.gz SXUQLUHXYUKMQB-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594724120 347213180 /nfs/dbraw/zinc/21/31/80/347213180.db2.gz DGQTWZJVEJYWIJ-JMSVASOKSA-N 1 0 278.352 3.203 20 5 CGBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594997114 347252266 /nfs/dbraw/zinc/25/22/66/347252266.db2.gz XWBKHVXBUCBOMK-LLVKDONJSA-N 1 0 298.770 3.153 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CO1 ZINC000594935271 347233955 /nfs/dbraw/zinc/23/39/55/347233955.db2.gz FJXSNQHSECODIP-KWCYVHTRSA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)(C)OCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594978069 347247158 /nfs/dbraw/zinc/24/71/58/347247158.db2.gz WWPUHOBGFLXMIE-UHFFFAOYSA-N 1 0 284.331 3.029 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c(Cl)c1 ZINC000594984398 347249205 /nfs/dbraw/zinc/24/92/05/347249205.db2.gz KCBYQRHONXQYFQ-PJXYFTJBSA-N 1 0 266.728 3.136 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000595109975 347285132 /nfs/dbraw/zinc/28/51/32/347285132.db2.gz XZOKOWFKDBGMPT-CHWSQXEVSA-N 1 0 292.379 3.369 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(C)C ZINC000595008880 347255791 /nfs/dbraw/zinc/25/57/91/347255791.db2.gz XDMRDXDMOFUAGI-NSHDSACASA-N 1 0 266.341 3.300 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCSCC2)c1 ZINC000595035405 347264743 /nfs/dbraw/zinc/26/47/43/347264743.db2.gz IUQVXYIKPYGJDG-ZDUSSCGKSA-N 1 0 280.393 3.013 20 5 CGBDRO COC1CC(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595050120 347269459 /nfs/dbraw/zinc/26/94/59/347269459.db2.gz PMYBUUUYIPGZJG-IYXRBSQSSA-N 1 0 292.379 3.369 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCSC(C)C ZINC000595050828 347269885 /nfs/dbraw/zinc/26/98/85/347269885.db2.gz OHZLQCMEVZRTLK-LLVKDONJSA-N 1 0 298.408 3.396 20 5 CGBDRO C[C@H](N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057520 347272818 /nfs/dbraw/zinc/27/28/18/347272818.db2.gz YRDDBPUYUFBJIL-JSGCOSHPSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595071695 347276626 /nfs/dbraw/zinc/27/66/26/347276626.db2.gz CQBIAKPTCDHTSL-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595074348 347277439 /nfs/dbraw/zinc/27/74/39/347277439.db2.gz QUAHFHVURWLIEK-MRXNPFEDSA-N 1 0 297.358 3.118 20 5 CGBDRO CCSC1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000595093213 347281027 /nfs/dbraw/zinc/28/10/27/347281027.db2.gz OAWGFZHMPKLRFX-ZDUSSCGKSA-N 1 0 292.404 3.457 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CC1 ZINC000595765777 347353182 /nfs/dbraw/zinc/35/31/82/347353182.db2.gz OGOCLAIMOWCCCZ-LBPRGKRZSA-N 1 0 282.315 3.021 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456453 347305908 /nfs/dbraw/zinc/30/59/08/347305908.db2.gz XVNVXTYVWWCWRZ-GXFFZTMASA-N 1 0 266.316 3.402 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC000595512460 347314362 /nfs/dbraw/zinc/31/43/62/347314362.db2.gz OELSHNPEWPGRIK-UKRRQHHQSA-N 1 0 296.342 3.027 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000596305898 347414181 /nfs/dbraw/zinc/41/41/81/347414181.db2.gz CMQYKGMTYTWYPH-JTQLQIEISA-N 1 0 283.397 3.189 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1 ZINC000595858707 347368208 /nfs/dbraw/zinc/36/82/08/347368208.db2.gz ZBGOVROLRBFRHK-QXMXGUDHSA-N 1 0 260.337 3.358 20 5 CGBDRO COCC1([NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000595911877 347371848 /nfs/dbraw/zinc/37/18/48/347371848.db2.gz SLWGZJVDUDNCJO-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598998813 347705693 /nfs/dbraw/zinc/70/56/93/347705693.db2.gz IATPGBLCKAOJGM-PUXPGTEJSA-N 1 0 298.770 3.150 20 5 CGBDRO CSCCCNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599048089 347710137 /nfs/dbraw/zinc/71/01/37/347710137.db2.gz GJDWDVWEVTULNH-UHFFFAOYSA-N 1 0 277.349 3.308 20 5 CGBDRO CC[C@H]([NH2+][C@H](CO)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599069500 347713977 /nfs/dbraw/zinc/71/39/77/347713977.db2.gz UBXNRNRVVCAQLO-HOCLYGCPSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000599674955 347764404 /nfs/dbraw/zinc/76/44/04/347764404.db2.gz LXTPNGRDLGCPHL-BBRMVZONSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1ccc(NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599140326 347720621 /nfs/dbraw/zinc/72/06/21/347720621.db2.gz UUMNDCSVBDTINO-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC(C)(C)F ZINC000601136929 347873596 /nfs/dbraw/zinc/87/35/96/347873596.db2.gz MWZPDUWXUVPTGO-XFFZJAGNSA-N 1 0 266.316 3.336 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCc2ncccc21 ZINC000601268400 347887296 /nfs/dbraw/zinc/88/72/96/347887296.db2.gz PFWIEMAQXYDNKF-OAHLLOKOSA-N 1 0 283.331 3.157 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602508976 347972138 /nfs/dbraw/zinc/97/21/38/347972138.db2.gz DGZBWQZGFBWULB-GHMZBOCLSA-N 1 0 289.335 3.404 20 5 CGBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647496 348000688 /nfs/dbraw/zinc/00/06/88/348000688.db2.gz LDAAGZVBXXZMNB-WDEREUQCSA-N 1 0 289.335 3.262 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1CC12CC2 ZINC000602692763 348010817 /nfs/dbraw/zinc/01/08/17/348010817.db2.gz AYOXDLOPVGHBKA-LLVKDONJSA-N 1 0 286.253 3.256 20 5 CGBDRO CCCCC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])C(C)C ZINC000602763840 348025474 /nfs/dbraw/zinc/02/54/74/348025474.db2.gz SXPWSENZJIHMHC-UHFFFAOYSA-N 1 0 282.388 3.000 20 5 CGBDRO CCC(CC)[C@H](CNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000603438442 348083519 /nfs/dbraw/zinc/08/35/19/348083519.db2.gz LSUPBVZMTURIES-HNNXBMFYSA-N 1 0 279.384 3.373 20 5 CGBDRO Cc1cc(NC[C@@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000603845925 348098210 /nfs/dbraw/zinc/09/82/10/348098210.db2.gz PUVZFNQEQQFBAX-INIZCTEOSA-N 1 0 291.395 3.436 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@@H](C)C2CCC2)cc1[N+](=O)[O-] ZINC000357044831 232889779 /nfs/dbraw/zinc/88/97/79/232889779.db2.gz STXPKZVLGVBKMJ-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)[C@@H]1CCCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609767128 348352273 /nfs/dbraw/zinc/35/22/73/348352273.db2.gz PCUJLNWDTPRZGD-INIZCTEOSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c(F)c1 ZINC000610476407 348383968 /nfs/dbraw/zinc/38/39/68/348383968.db2.gz NUZAIXZZNBVENU-LBPRGKRZSA-N 1 0 290.294 3.316 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000610677580 348395505 /nfs/dbraw/zinc/39/55/05/348395505.db2.gz OMHFYTRVATUPQP-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000611335515 348438908 /nfs/dbraw/zinc/43/89/08/348438908.db2.gz DIIZAVNTOJNHDC-GFCCVEGCSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ncc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000611183963 348426967 /nfs/dbraw/zinc/42/69/67/348426967.db2.gz QBLPBEGQACTGHB-VIFPVBQESA-N 1 0 277.349 3.211 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOC[C@H]1C ZINC000615835239 348767900 /nfs/dbraw/zinc/76/79/00/348767900.db2.gz CWSZXQPLFNWREZ-KADHNRKRSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1c(C[NH2+]Cc2[nH]nc3ccccc32)cccc1[N+](=O)[O-] ZINC000616483627 348824865 /nfs/dbraw/zinc/82/48/65/348824865.db2.gz QDVNTADDGATOIT-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983904 349190809 /nfs/dbraw/zinc/19/08/09/349190809.db2.gz OJDDWXRLIKJYIH-IIMNLJJBSA-N 1 0 260.337 3.315 20 5 CGBDRO CC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000618808946 349157346 /nfs/dbraw/zinc/15/73/46/349157346.db2.gz MBBAPIDAJLZGBI-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2cccnc21 ZINC000619611109 349263187 /nfs/dbraw/zinc/26/31/87/349263187.db2.gz KBHNJIYMVZUNPL-HNNXBMFYSA-N 1 0 297.358 3.200 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000537357328 288525866 /nfs/dbraw/zinc/52/58/66/288525866.db2.gz MPAHKRKKSDSONU-QWHCGFSZSA-N 1 0 278.352 3.123 20 5 CGBDRO CC(C)COCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292096427 198161287 /nfs/dbraw/zinc/16/12/87/198161287.db2.gz HIWLZZGACBLQPR-UHFFFAOYSA-N 1 0 280.368 3.092 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1ccco1)C1CC1 ZINC000152024882 187991985 /nfs/dbraw/zinc/99/19/85/187991985.db2.gz AMNFNCQXLRVOBP-HNNXBMFYSA-N 1 0 286.331 3.299 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000153759953 188101853 /nfs/dbraw/zinc/10/18/53/188101853.db2.gz MGBFPMKHYSSWJH-CFVMTHIKSA-N 1 0 292.379 3.105 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000292382746 198266699 /nfs/dbraw/zinc/26/66/99/198266699.db2.gz JTAPQBRKRABFAZ-SNVBAGLBSA-N 1 0 286.422 3.231 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414230731 235369717 /nfs/dbraw/zinc/36/97/17/235369717.db2.gz OFHHNDKMNLDFCJ-WZRBSPASSA-N 1 0 280.393 3.009 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414354454 235394448 /nfs/dbraw/zinc/39/44/48/235394448.db2.gz XKIURKPDBNPROQ-MRVWCRGKSA-N 1 0 286.331 3.265 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC[C@@H]1CCC[NH2+]C1 ZINC000110792862 138363472 /nfs/dbraw/zinc/36/34/72/138363472.db2.gz NAKMXNVYEQQDRS-JTQLQIEISA-N 1 0 283.759 3.050 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000111612984 138364397 /nfs/dbraw/zinc/36/43/97/138364397.db2.gz XNPBUDDHQZQYSA-SNVBAGLBSA-N 1 0 283.759 3.050 20 5 CGBDRO COCC(C)(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000426076856 236280871 /nfs/dbraw/zinc/28/08/71/236280871.db2.gz JUDDMPASZZNWSO-UHFFFAOYSA-N 1 0 294.395 3.478 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426464067 236296866 /nfs/dbraw/zinc/29/68/66/236296866.db2.gz XRQSAFDGTWTEEQ-UKRRQHHQSA-N 1 0 260.337 3.012 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C)(C)CC1 ZINC000430204588 236546073 /nfs/dbraw/zinc/54/60/73/236546073.db2.gz RSUFXBRPGSSUTO-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178721956 189140308 /nfs/dbraw/zinc/14/03/08/189140308.db2.gz QSOVESRFRLSDKS-QWRGUYRKSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1ccc([C@H](C)NCC[C@@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844339 189308030 /nfs/dbraw/zinc/30/80/30/189308030.db2.gz PAWVDTJPXDPUGX-ZFWWWQNUSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1cc(N[C@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301597778 201089792 /nfs/dbraw/zinc/08/97/92/201089792.db2.gz SVCDDOPLSZQFSM-JSGCOSHPSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000301614833 201096462 /nfs/dbraw/zinc/09/64/62/201096462.db2.gz UUVHIFDKJHZKGK-CQSZACIVSA-N 1 0 291.395 3.293 20 5 CGBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414915801 283670524 /nfs/dbraw/zinc/67/05/24/283670524.db2.gz NDTNCPFZEVHPGN-KRWDZBQOSA-N 1 0 297.358 3.344 20 5 CGBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000183349014 189355958 /nfs/dbraw/zinc/35/59/58/189355958.db2.gz ITDCCBRQTTYJGA-CQSZACIVSA-N 1 0 292.379 3.152 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCc1nccs1 ZINC000183389342 189357708 /nfs/dbraw/zinc/35/77/08/189357708.db2.gz CQVHPYSRJHARCW-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C ZINC000449096439 239177234 /nfs/dbraw/zinc/17/72/34/239177234.db2.gz HQAZHMDHUZPNHT-NSHDSACASA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CCC1 ZINC000449177506 239224622 /nfs/dbraw/zinc/22/46/22/239224622.db2.gz PUDZSXOFCDULIR-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO C[NH+](C)CC1(CNc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000302175577 201383972 /nfs/dbraw/zinc/38/39/72/201383972.db2.gz WTJCHJFAKCBKCS-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CCCC2 ZINC000449287650 239291703 /nfs/dbraw/zinc/29/17/03/239291703.db2.gz XHDNMQAXUPHGKA-DOMZBBRYSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H](F)C1 ZINC000449331800 239320272 /nfs/dbraw/zinc/32/02/72/239320272.db2.gz PJRWNULALVMEMF-KGYLQXTDSA-N 1 0 266.316 3.006 20 5 CGBDRO Cc1ncccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350911 239340371 /nfs/dbraw/zinc/34/03/71/239340371.db2.gz YAQAGOKBZTXMQF-NSHDSACASA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1cc(N(C)CC[N@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000302275039 201427003 /nfs/dbraw/zinc/42/70/03/201427003.db2.gz SWBLCDXFKYQVRZ-UHFFFAOYSA-N 1 0 297.786 3.087 20 5 CGBDRO COC[C@]1(C)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000451198527 240249440 /nfs/dbraw/zinc/24/94/40/240249440.db2.gz BXHNTFHKDPTPOP-CQSZACIVSA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000451104473 240219715 /nfs/dbraw/zinc/21/97/15/240219715.db2.gz QXAPCJVZXNSOKG-LBPRGKRZSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451899578 240377172 /nfs/dbraw/zinc/37/71/72/240377172.db2.gz IIRYOLQAJSDCNK-XJKSGUPXSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451899573 240378765 /nfs/dbraw/zinc/37/87/65/240378765.db2.gz IIRYOLQAJSDCNK-CJNGLKHVSA-N 1 0 290.363 3.158 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459756947 242215236 /nfs/dbraw/zinc/21/52/36/242215236.db2.gz OGTKPGJEHNYXHT-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO CO[C@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000462804528 242365206 /nfs/dbraw/zinc/36/52/06/242365206.db2.gz LLQAAKVCYBNVNI-BLLLJJGKSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000462827902 242369177 /nfs/dbraw/zinc/36/91/77/242369177.db2.gz WRYQZAPMSKDKQB-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO C[C@H]([NH2+]C/C=C\c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000486923692 243379129 /nfs/dbraw/zinc/37/91/29/243379129.db2.gz HYTDVVOKXSHTEY-SCOBNMCVSA-N 1 0 283.331 3.354 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000125361596 370936156 /nfs/dbraw/zinc/93/61/56/370936156.db2.gz WVVJMSIPYPFGMY-VXGBXAGGSA-N 1 0 278.352 3.061 20 5 CGBDRO CCOc1cc(C[N@H+](C(C)C)C2CC2)ccc1[N+](=O)[O-] ZINC000492373461 243935937 /nfs/dbraw/zinc/93/59/37/243935937.db2.gz FDTLDEBLIXMCBG-UHFFFAOYSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc(F)cc2)cc1[N+](=O)[O-] ZINC000034995511 368988332 /nfs/dbraw/zinc/98/83/32/368988332.db2.gz YLYMURWPWNMZTN-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)CC1CC1 ZINC000037925512 369126269 /nfs/dbraw/zinc/12/62/69/369126269.db2.gz SZBSWTJVZJISAM-UHFFFAOYSA-N 1 0 254.717 3.090 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775689 369108835 /nfs/dbraw/zinc/10/88/35/369108835.db2.gz HWTREISNCZKUMI-NEPJUHHUSA-N 1 0 280.368 3.449 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CCOCC1 ZINC000330679263 203107510 /nfs/dbraw/zinc/10/75/10/203107510.db2.gz DGTYSVFRRKDWHO-OAHLLOKOSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775218 369164282 /nfs/dbraw/zinc/16/42/82/369164282.db2.gz WKVATSSRZPWLAN-UKRRQHHQSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1occc1C[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000055054821 369509009 /nfs/dbraw/zinc/50/90/09/369509009.db2.gz VYNIEYJSXPPXRX-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000063099361 369639835 /nfs/dbraw/zinc/63/98/35/369639835.db2.gz IHXNYOBREYOMKV-MRVPVSSYSA-N 1 0 262.231 3.198 20 5 CGBDRO COc1ccc(C[N@H+](C)CC2CCCC2)cc1[N+](=O)[O-] ZINC000064014404 369650321 /nfs/dbraw/zinc/65/03/21/369650321.db2.gz QRJMIWFVJQZRIH-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000076150404 369932531 /nfs/dbraw/zinc/93/25/31/369932531.db2.gz OZGUUTQJKOXKDP-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000276908569 193496414 /nfs/dbraw/zinc/49/64/14/193496414.db2.gz OOVLENKQKLQNNS-RISCZKNCSA-N 1 0 280.368 3.041 20 5 CGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000513088845 245064402 /nfs/dbraw/zinc/06/44/02/245064402.db2.gz LQNORSJGYNRHFF-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343993436 217006924 /nfs/dbraw/zinc/00/69/24/217006924.db2.gz ZUFBZXKSFGPTBJ-MBNYWOFBSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1ccc(CN2CCc3ccsc3C2)c(F)c1 ZINC000132702961 371195013 /nfs/dbraw/zinc/19/50/13/371195013.db2.gz LNIPXNPNJUWJSQ-UHFFFAOYSA-N 1 0 292.335 3.354 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132506623 371180502 /nfs/dbraw/zinc/18/05/02/371180502.db2.gz FQOLJFXFLKESRU-ZWNOBZJWSA-N 1 0 298.433 3.094 20 5 CGBDRO O=[N+]([O-])c1cccc(CN2CCc3ccc(F)cc3C2)c1 ZINC000134030077 371296928 /nfs/dbraw/zinc/29/69/28/371296928.db2.gz WWSKFHWGBLHFKG-UHFFFAOYSA-N 1 0 286.306 3.292 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC3CCC2CC3)c1 ZINC000336819134 213696967 /nfs/dbraw/zinc/69/69/67/213696967.db2.gz YKHHTDCJDCLUOT-ABIUDSBCSA-N 1 0 260.337 3.263 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421841869 371665415 /nfs/dbraw/zinc/66/54/15/371665415.db2.gz JZRIPKNIYTVWKT-LBPRGKRZSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H]([NH2+][C@H](CCO)C(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000158064942 372050449 /nfs/dbraw/zinc/05/04/49/372050449.db2.gz QCBMWSXVFWWSCU-BXUZGUMPSA-N 1 0 280.368 3.043 20 5 CGBDRO CSC1(C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000290540947 372012223 /nfs/dbraw/zinc/01/22/23/372012223.db2.gz WAWXKNPAYHBSBC-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO CC(C)[N@@H+]1CCCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000344222646 217104388 /nfs/dbraw/zinc/10/43/88/217104388.db2.gz TWPXCJKYIWAZRN-AWEZNQCLSA-N 1 0 291.395 3.072 20 5 CGBDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998517 372294518 /nfs/dbraw/zinc/29/45/18/372294518.db2.gz YKVOHTAXEBUCJL-YUELXQCFSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000160547403 372257842 /nfs/dbraw/zinc/25/78/42/372257842.db2.gz ZJPVNCHIKBJCQH-IOASZLSFSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+](C1CCC1)C1CCC1 ZINC000429189744 372321346 /nfs/dbraw/zinc/32/13/46/372321346.db2.gz LQWNARYJXVIMIS-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2cccc(O)c2C1)c1cccc([N+](=O)[O-])c1 ZINC000429307329 372349080 /nfs/dbraw/zinc/34/90/80/372349080.db2.gz HSWKUZDSELADKK-SMDDNHRTSA-N 1 0 298.342 3.118 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000162710500 372411214 /nfs/dbraw/zinc/41/12/14/372411214.db2.gz CPGBCFYNMBEFTG-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CC[C@H]([NH2+]CCOC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000164131390 372507812 /nfs/dbraw/zinc/50/78/12/372507812.db2.gz KESOPDIJISMWBA-AWEZNQCLSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCSC2)c(Cl)c1 ZINC000168133238 372607406 /nfs/dbraw/zinc/60/74/06/372607406.db2.gz NICZHHBAWNNZLA-JTQLQIEISA-N 1 0 286.784 3.233 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000295861644 372939589 /nfs/dbraw/zinc/93/95/89/372939589.db2.gz BOZMLUUVKWRIMU-SMDDNHRTSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000296072429 373012604 /nfs/dbraw/zinc/01/26/04/373012604.db2.gz RZKUEXWSTRDPSF-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO CC[C@@H]([NH2+]CCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000296415528 373124356 /nfs/dbraw/zinc/12/43/56/373124356.db2.gz LBUKJPKSJSZBCQ-CQSZACIVSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000174406109 373309067 /nfs/dbraw/zinc/30/90/67/373309067.db2.gz LHBZWJVNQPYTQI-SECBINFHSA-N 1 0 254.717 3.233 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539035 373447897 /nfs/dbraw/zinc/44/78/97/373447897.db2.gz FHGMOUUVYHQDQI-RDBSUJKOSA-N 1 0 294.399 3.157 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCCCO ZINC000449432537 373711227 /nfs/dbraw/zinc/71/12/27/373711227.db2.gz HZWVGJDMYZMPNJ-QLKUMGTLSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000301102131 373661466 /nfs/dbraw/zinc/66/14/66/373661466.db2.gz OITQFHONBSGQTM-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO CC/C=C/C[NH2+]Cc1cc([N+](=O)[O-])ccc1OCC ZINC000449459507 373743206 /nfs/dbraw/zinc/74/32/06/373743206.db2.gz QGTWSZDNOPXMJL-AATRIKPKSA-N 1 0 264.325 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cc1 ZINC000449478868 373767557 /nfs/dbraw/zinc/76/75/57/373767557.db2.gz SPRCESDPMANTGJ-CQSZACIVSA-N 1 0 290.363 3.034 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccncc3)C2)cc1 ZINC000449497623 373794193 /nfs/dbraw/zinc/79/41/93/373794193.db2.gz ISGKNNJSEQNGCS-MRXNPFEDSA-N 1 0 297.358 3.369 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449761540 373889379 /nfs/dbraw/zinc/88/93/79/373889379.db2.gz YMGXDKGPZQRIGC-DDJMYBDESA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449739681 373869812 /nfs/dbraw/zinc/86/98/12/373869812.db2.gz BXMHMDSAQOQCRS-CQDKDKBSSA-N 1 0 274.364 3.162 20 5 CGBDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311851959 374259242 /nfs/dbraw/zinc/25/92/42/374259242.db2.gz ISQMRJYJZVSTHK-WDEREUQCSA-N 1 0 266.316 3.260 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000311912134 374261992 /nfs/dbraw/zinc/26/19/92/374261992.db2.gz HOMXFRBQTWARIG-LBPRGKRZSA-N 1 0 265.357 3.044 20 5 CGBDRO COc1cc(C[NH+](C(C)C)C(C)C)c([N+](=O)[O-])cc1F ZINC000184295207 374512016 /nfs/dbraw/zinc/51/20/16/374512016.db2.gz BLDVBOHJHKWFRY-UHFFFAOYSA-N 1 0 284.331 3.361 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000474066220 375075744 /nfs/dbraw/zinc/07/57/44/375075744.db2.gz ICPKMVDIGTWLGY-OAHLLOKOSA-N 1 0 290.363 3.286 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000187922418 375116912 /nfs/dbraw/zinc/11/69/12/375116912.db2.gz SGGLLBUEUASFGS-SNVBAGLBSA-N 1 0 254.355 3.278 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@@H](F)C1 ZINC000520428122 375855576 /nfs/dbraw/zinc/85/55/76/375855576.db2.gz LEYXXPDDVLDQPD-NRUUGDAUSA-N 1 0 264.300 3.062 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336811964 375964736 /nfs/dbraw/zinc/96/47/36/375964736.db2.gz PLVYNKAYBMKUMN-GHMZBOCLSA-N 1 0 266.316 3.497 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cn[nH]c1)c1cccc([N+](=O)[O-])c1 ZINC000222516042 376237396 /nfs/dbraw/zinc/23/73/96/376237396.db2.gz CYBZGEAWLQQQCH-HZMBPMFUSA-N 1 0 274.324 3.120 20 5 CGBDRO CCC[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222524551 376237542 /nfs/dbraw/zinc/23/75/42/376237542.db2.gz FBRGQBHDRCSBMO-XJKSGUPXSA-N 1 0 294.395 3.434 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000223515182 376254861 /nfs/dbraw/zinc/25/48/61/376254861.db2.gz JKWLPFLQZDSFHR-HUUCEWRRSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224113966 376271416 /nfs/dbraw/zinc/27/14/16/376271416.db2.gz PXIVNDMNFXNQQC-BJJXKVORSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCS[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000539829393 376338006 /nfs/dbraw/zinc/33/80/06/376338006.db2.gz QYCJKCAVSSGXSQ-HNNXBMFYSA-N 1 0 294.420 3.477 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC(C)(C)O1 ZINC000338360375 376348410 /nfs/dbraw/zinc/34/84/10/376348410.db2.gz NOTCRHBUJBLTOT-HNNXBMFYSA-N 1 0 292.379 3.027 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccncc1C ZINC000539044047 376286466 /nfs/dbraw/zinc/28/64/66/376286466.db2.gz ICWDDHWZTNUTQJ-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CCC[C@@H](C)C[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000539382007 376306150 /nfs/dbraw/zinc/30/61/50/376306150.db2.gz ZMFQXDCRTZTQCB-GFCCVEGCSA-N 1 0 262.353 3.389 20 5 CGBDRO CC1CC[NH+](CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227888263 376417347 /nfs/dbraw/zinc/41/73/47/376417347.db2.gz QUIGPGSKRBKTHZ-UHFFFAOYSA-N 1 0 299.321 3.017 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000226384119 376356402 /nfs/dbraw/zinc/35/64/02/376356402.db2.gz SNWVAPJOIMPTDU-SMDDNHRTSA-N 1 0 280.393 3.389 20 5 CGBDRO CC(C)SCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000338381614 376358404 /nfs/dbraw/zinc/35/84/04/376358404.db2.gz OFUZCTOEWFHPNM-UHFFFAOYSA-N 1 0 282.409 3.211 20 5 CGBDRO CC1C[NH+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000338952537 376598395 /nfs/dbraw/zinc/59/83/95/376598395.db2.gz OYQICVGFBUYUAP-UHFFFAOYSA-N 1 0 272.304 3.307 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCOC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000231885860 376574498 /nfs/dbraw/zinc/57/44/98/376574498.db2.gz BGNQSMLMZQMBCE-AWEZNQCLSA-N 1 0 290.363 3.095 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](Nc2ccccc2)C1 ZINC000237933401 376764733 /nfs/dbraw/zinc/76/47/33/376764733.db2.gz KULHHMAPUSFPKU-INIZCTEOSA-N 1 0 297.358 3.281 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000558131619 376976557 /nfs/dbraw/zinc/97/65/57/376976557.db2.gz IQRLXVLAQXDCEN-DYLGSBMWSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000558620899 377027587 /nfs/dbraw/zinc/02/75/87/377027587.db2.gz UYQHODLIOQDYNZ-WQVCFCJDSA-N 1 0 290.363 3.142 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000246758983 377083310 /nfs/dbraw/zinc/08/33/10/377083310.db2.gz BRVLLPAXYLXEFN-XBFCOCLRSA-N 1 0 260.337 3.388 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248997187 377441490 /nfs/dbraw/zinc/44/14/90/377441490.db2.gz GYAJHOWOTIGZCT-FRRDWIJNSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](C)CC1 ZINC000249049500 377450332 /nfs/dbraw/zinc/45/03/32/377450332.db2.gz OCHYSKZKPNZHHQ-VXGBXAGGSA-N 1 0 280.393 3.483 20 5 CGBDRO CC(C)(C)[N@@H+]1CCCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000563466463 377470285 /nfs/dbraw/zinc/47/02/85/377470285.db2.gz SRRVNEDINCWLHN-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000341272938 377482391 /nfs/dbraw/zinc/48/23/91/377482391.db2.gz DUHKBHDPLRCNHI-QWRGUYRKSA-N 1 0 296.342 3.220 20 5 CGBDRO C[C@@H]([NH2+]CC1(O)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087088709 249021460 /nfs/dbraw/zinc/02/14/60/249021460.db2.gz ZKSQEYZMGTWUDU-CYBMUJFWSA-N 1 0 292.379 3.331 20 5 CGBDRO Cc1cnc(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000517929306 249273285 /nfs/dbraw/zinc/27/32/85/249273285.db2.gz NLWHFZFPCMOWRA-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@@H]1C[C@@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c2nccn21 ZINC000574339518 377650666 /nfs/dbraw/zinc/65/06/66/377650666.db2.gz SGWPLWSDWSSXQX-LERXQTSPSA-N 1 0 298.346 3.074 20 5 CGBDRO C[N@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342610372 377690122 /nfs/dbraw/zinc/69/01/22/377690122.db2.gz WGIWSNMSZUUJPM-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000268905249 378148989 /nfs/dbraw/zinc/14/89/89/378148989.db2.gz GOLDNONCHPXYST-DOMZBBRYSA-N 1 0 280.368 3.225 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000346575497 378630098 /nfs/dbraw/zinc/63/00/98/378630098.db2.gz PDVREBIJJPCVJQ-YGRLFVJLSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[N@H+](CC(C)(C)O)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272299315 378606654 /nfs/dbraw/zinc/60/66/54/378606654.db2.gz IJTFOVGICWDLPU-GFCCVEGCSA-N 1 0 280.368 3.057 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786615 378726503 /nfs/dbraw/zinc/72/65/03/378726503.db2.gz OPUZUTUSQOANNX-CHWSQXEVSA-N 1 0 289.379 3.174 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@@H](C)CC1 ZINC000276888745 379013660 /nfs/dbraw/zinc/01/36/60/379013660.db2.gz FYDAKQUPZQROJG-NWDGAFQWSA-N 1 0 280.393 3.483 20 5 CGBDRO Cc1cccc(NC2CC([NH+]3CCCCC3)C2)c1[N+](=O)[O-] ZINC000373681162 379317491 /nfs/dbraw/zinc/31/74/91/379317491.db2.gz MBSXGRWHWVJDRS-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO CCC[C@@H](O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279052193 379410959 /nfs/dbraw/zinc/41/09/59/379410959.db2.gz KFKLQMLTCLUECO-IUODEOHRSA-N 1 0 292.379 3.068 20 5 CGBDRO COC1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000350183465 379526905 /nfs/dbraw/zinc/52/69/05/379526905.db2.gz BIBIRMSVTFXVBL-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO COc1cc(C[NH+]2[C@H](C)CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352416724 379806395 /nfs/dbraw/zinc/80/63/95/379806395.db2.gz JBTKMIGQCLAARK-VXGBXAGGSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352545642 379853543 /nfs/dbraw/zinc/85/35/43/379853543.db2.gz KVIKYDHOOYUTPN-OAHLLOKOSA-N 1 0 278.352 3.225 20 5 CGBDRO CC(C)[C@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000352747572 379937214 /nfs/dbraw/zinc/93/72/14/379937214.db2.gz GLVVXPALTZPHPI-GOEBONIOSA-N 1 0 292.379 3.136 20 5 CGBDRO CC(C)(C)OC1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000352926616 380041384 /nfs/dbraw/zinc/04/13/84/380041384.db2.gz HMJPJNBXFGNXMP-UHFFFAOYSA-N 1 0 292.379 3.073 20 5 CGBDRO CC1(C)SC[C@@H]1Nc1nccc2ccc([N+](=O)[O-])cc21 ZINC000413255894 380175113 /nfs/dbraw/zinc/17/51/13/380175113.db2.gz KSARAUCXRNAALX-LBPRGKRZSA-N 1 0 289.360 3.449 20 5 CGBDRO CCCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000353979482 380261698 /nfs/dbraw/zinc/26/16/98/380261698.db2.gz QYMDSLYTLHBZFB-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO COCC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414483488 380261741 /nfs/dbraw/zinc/26/17/41/380261741.db2.gz OLAXAALBEVXOFE-SNVBAGLBSA-N 1 0 286.759 3.010 20 5 CGBDRO C[C@H]1N(C/C=C\c2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000353920302 380235642 /nfs/dbraw/zinc/23/56/42/380235642.db2.gz MMFVLCVNBYMCLN-FWPCIQOSSA-N 1 0 290.363 3.107 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OCC1CC1 ZINC000414505247 380281825 /nfs/dbraw/zinc/28/18/25/380281825.db2.gz QCGKBQNOZWKMGL-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO COC(C)(C)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311434 380589692 /nfs/dbraw/zinc/58/96/92/380589692.db2.gz LTEBWCOEJSLNQM-OAHLLOKOSA-N 1 0 292.379 3.377 20 5 CGBDRO CC[C@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314912 380591112 /nfs/dbraw/zinc/59/11/12/380591112.db2.gz ROJBPHCGUHGPBK-CVEARBPZSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC12CC2 ZINC000417331549 380594614 /nfs/dbraw/zinc/59/46/14/380594614.db2.gz CBBOGITYTUEJHK-JSGCOSHPSA-N 1 0 274.364 3.306 20 5 CGBDRO CC(C)(O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417342260 380600096 /nfs/dbraw/zinc/60/00/96/380600096.db2.gz MGXBEXOUGPIYQB-OAHLLOKOSA-N 1 0 292.379 3.113 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000418125406 380706726 /nfs/dbraw/zinc/70/67/26/380706726.db2.gz JGDSWHJWLHINFM-TUAOUCFPSA-N 1 0 278.352 3.080 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000418125404 380707889 /nfs/dbraw/zinc/70/78/89/380707889.db2.gz JGDSWHJWLHINFM-SDDRHHMPSA-N 1 0 278.352 3.080 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558006 381210073 /nfs/dbraw/zinc/21/00/73/381210073.db2.gz ZLBLECOKUKCUJW-MNOVXSKESA-N 1 0 266.316 3.497 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359993243 381402549 /nfs/dbraw/zinc/40/25/49/381402549.db2.gz RCCLGYDPLJCEHJ-SECBINFHSA-N 1 0 254.717 3.090 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280969456 195051331 /nfs/dbraw/zinc/05/13/31/195051331.db2.gz LFHZTJWZRDYXHN-WFASDCNBSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)cc1 ZINC000177182242 285113683 /nfs/dbraw/zinc/11/36/83/285113683.db2.gz XQFROQMSQXWZHZ-GJZGRUSLSA-N 1 0 292.404 3.455 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3cccnc3CC2)cc1 ZINC000421841485 285114943 /nfs/dbraw/zinc/11/49/43/285114943.db2.gz IYWCDOFTZQTWFF-OAHLLOKOSA-N 1 0 297.358 3.027 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCCS1 ZINC000350358938 219009986 /nfs/dbraw/zinc/00/99/86/219009986.db2.gz RJTHKIUFUHMHIO-AWEZNQCLSA-N 1 0 280.393 3.279 20 5 CGBDRO Cc1ccoc1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000350312031 219006885 /nfs/dbraw/zinc/00/68/85/219006885.db2.gz LRNWSQBRZWLMNY-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO O=[N+]([O-])c1cccc(CN2CCC=C(Br)C2)c1 ZINC000281543389 195282467 /nfs/dbraw/zinc/28/24/67/195282467.db2.gz BLTABZKLUGCXHF-UHFFFAOYSA-N 1 0 297.152 3.079 20 5 CGBDRO COCCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417302011 533265796 /nfs/dbraw/zinc/26/57/96/533265796.db2.gz BAOJKYQTJKAKDK-MRXNPFEDSA-N 1 0 292.379 3.379 20 5 CGBDRO CSC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000433181790 533508267 /nfs/dbraw/zinc/50/82/67/533508267.db2.gz YTEBXJGVUWUOSP-WQLSENKSSA-N 1 0 292.404 3.483 20 5 CGBDRO COc1ccc(C[N@@H+]2CC(C)(C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000412050317 533552850 /nfs/dbraw/zinc/55/28/50/533552850.db2.gz XZQTUEMCQUCULZ-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCC1 ZINC000193649892 130641097 /nfs/dbraw/zinc/64/10/97/130641097.db2.gz YVVIBUKHQFCTRL-UHFFFAOYSA-N 1 0 280.393 3.279 20 5 CGBDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccccc1[N+](=O)[O-] ZINC000055022771 392095194 /nfs/dbraw/zinc/09/51/94/392095194.db2.gz BYRXRIIDYWEGAL-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772502 392320141 /nfs/dbraw/zinc/32/01/41/392320141.db2.gz NFQOKFXLVJVZPG-UBHSHLNASA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)CC(F)(F)F ZINC000361741608 392308667 /nfs/dbraw/zinc/30/86/67/392308667.db2.gz YHWRDRVWHPBIJQ-SECBINFHSA-N 1 0 276.258 3.334 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1COc2ccccc21 ZINC000288468361 392406462 /nfs/dbraw/zinc/40/64/62/392406462.db2.gz FKWSNCANJWZGMH-CQSZACIVSA-N 1 0 298.342 3.169 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301759663 392598164 /nfs/dbraw/zinc/59/81/64/392598164.db2.gz AUZOFLOTZUBYCL-SNVBAGLBSA-N 1 0 299.321 3.017 20 5 CGBDRO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000156638522 392547770 /nfs/dbraw/zinc/54/77/70/392547770.db2.gz OADAVMUTGQBQLI-KBPBESRZSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156814156 392549046 /nfs/dbraw/zinc/54/90/46/392549046.db2.gz AKDYKWFEVCDWPF-HUBLWGQQSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c(F)c1 ZINC000313535212 392666738 /nfs/dbraw/zinc/66/67/38/392666738.db2.gz QCSSUZKRKVRVEY-NHYWBVRUSA-N 1 0 278.327 3.498 20 5 CGBDRO Cc1cc(N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000505581048 392676796 /nfs/dbraw/zinc/67/67/96/392676796.db2.gz DQJLKSMDZFISQI-TZMCWYRMSA-N 1 0 291.395 3.436 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H]2C)cc1[N+](=O)[O-] ZINC000504899433 392640385 /nfs/dbraw/zinc/64/03/85/392640385.db2.gz GORRLXADJKGZRS-GVXVVHGQSA-N 1 0 278.352 3.300 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000183045006 392752343 /nfs/dbraw/zinc/75/23/43/392752343.db2.gz TYDVUXVDJIDIRN-UWVGGRQHSA-N 1 0 254.305 3.258 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)c1 ZINC000510661041 392808302 /nfs/dbraw/zinc/80/83/02/392808302.db2.gz FOPSATUWDIAQOY-HZPDHXFCSA-N 1 0 274.364 3.306 20 5 CGBDRO CCCC[N@H+](CCO)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470176850 393231260 /nfs/dbraw/zinc/23/12/60/393231260.db2.gz NOLSROXOJFGMFF-KAMYIIQDSA-N 1 0 292.379 3.093 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000272586127 393263177 /nfs/dbraw/zinc/26/31/77/393263177.db2.gz WTBFDYRJSGBANW-RDBSUJKOSA-N 1 0 292.379 3.200 20 5 CGBDRO CC[C@H](C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1)OC ZINC000419295771 393367122 /nfs/dbraw/zinc/36/71/22/393367122.db2.gz XAXIBOJZLCFHJX-GDBMZVCRSA-N 1 0 292.379 3.199 20 5 CGBDRO CC(C)[NH+](CCN(C)Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000356396453 393434796 /nfs/dbraw/zinc/43/47/96/393434796.db2.gz VBJKBIRKASTDBH-UHFFFAOYSA-N 1 0 293.411 3.145 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430228028 393544713 /nfs/dbraw/zinc/54/47/13/393544713.db2.gz SXNGBPJXJRETSU-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000432818347 393643564 /nfs/dbraw/zinc/64/35/64/393643564.db2.gz VHPPZFSKBKDKTB-LLVKDONJSA-N 1 0 278.327 3.498 20 5 CGBDRO CCOc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492416516 393732036 /nfs/dbraw/zinc/73/20/36/393732036.db2.gz KSHNKRJELNIGAZ-STQMWFEESA-N 1 0 292.379 3.471 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000361148904 393686250 /nfs/dbraw/zinc/68/62/50/393686250.db2.gz INWNJMKEJJDJGT-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453397132 394232720 /nfs/dbraw/zinc/23/27/20/394232720.db2.gz ZDCWZRPXIUKAIP-NUEKZKHPSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H](N[C@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691354 397625599 /nfs/dbraw/zinc/62/55/99/397625599.db2.gz UHYSKIVPDCWODF-CJNGLKHVSA-N 1 0 293.411 3.366 20 5 CGBDRO CC(C)([NH2+]Cc1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000080347275 287064752 /nfs/dbraw/zinc/06/47/52/287064752.db2.gz JSCXFGKJNKZVOZ-UHFFFAOYSA-N 1 0 271.320 3.015 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000063302478 165029491 /nfs/dbraw/zinc/02/94/91/165029491.db2.gz DMGISRJJWPNKML-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CC(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000075683168 165100701 /nfs/dbraw/zinc/10/07/01/165100701.db2.gz HAGQMBTYMFVKNZ-UHFFFAOYSA-N 1 0 250.342 3.461 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359727 165232697 /nfs/dbraw/zinc/23/26/97/165232697.db2.gz GPLHXTPQDLDCTB-NXEZZACHSA-N 1 0 281.312 3.027 20 5 CGBDRO C[C@@H]1C[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H](C)S1 ZINC000092540417 287112280 /nfs/dbraw/zinc/11/22/80/287112280.db2.gz HTZOQDJSTJNJFS-ZVYZJRAXSA-N 1 0 292.404 3.434 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)cccc1[N+](=O)[O-] ZINC000251847009 165802344 /nfs/dbraw/zinc/80/23/44/165802344.db2.gz NFWFEBXXXAYAKT-DCDXPUDHSA-N 1 0 290.363 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252672636 165803800 /nfs/dbraw/zinc/80/38/00/165803800.db2.gz BRSYKBPJMGZITI-RYUDHWBXSA-N 1 0 295.770 3.287 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000119118294 287165284 /nfs/dbraw/zinc/16/52/84/287165284.db2.gz ACWAINNEYZNDSR-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000121405785 287197918 /nfs/dbraw/zinc/19/79/18/287197918.db2.gz XALSZJSZLPQIJH-WBMJQRKESA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000020137489 171024371 /nfs/dbraw/zinc/02/43/71/171024371.db2.gz FVAYEYFYAQTYSZ-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc(F)c1 ZINC000020473317 171217423 /nfs/dbraw/zinc/21/74/23/171217423.db2.gz DUXZCSNWEFFHDC-UHFFFAOYSA-N 1 0 260.268 3.024 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285070777 196190193 /nfs/dbraw/zinc/19/01/93/196190193.db2.gz JGKLYLGOOVMUQF-NXEZZACHSA-N 1 0 299.321 3.263 20 5 CGBDRO CC(C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368100 172159390 /nfs/dbraw/zinc/15/93/90/172159390.db2.gz VWERGAWZZUGTCW-UHFFFAOYSA-N 1 0 256.733 3.384 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126612063 287269036 /nfs/dbraw/zinc/26/90/36/287269036.db2.gz DAAKPCTXFCQATN-GFCCVEGCSA-N 1 0 298.408 3.047 20 5 CGBDRO CCCC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675990 174373824 /nfs/dbraw/zinc/37/38/24/174373824.db2.gz IEHYFBHWIROFKJ-LBPRGKRZSA-N 1 0 250.342 3.306 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071207424 176081111 /nfs/dbraw/zinc/08/11/11/176081111.db2.gz NSQDIZQALZOHOA-SKDRFNHKSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1ncsc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071212660 176084341 /nfs/dbraw/zinc/08/43/41/176084341.db2.gz VDUISXYEXLLNBR-VIFPVBQESA-N 1 0 277.349 3.211 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC2(F)F)cs1 ZINC000390890789 262359429 /nfs/dbraw/zinc/35/94/29/262359429.db2.gz YEUJVIPXTGLBGI-SECBINFHSA-N 1 0 276.308 3.181 20 5 CGBDRO CC(C)C[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000037177167 270028662 /nfs/dbraw/zinc/02/86/62/270028662.db2.gz QBQQUHROVUHXNY-CJNGLKHVSA-N 1 0 293.411 3.222 20 5 CGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000520845191 270099438 /nfs/dbraw/zinc/09/94/38/270099438.db2.gz OWNATOUDWAQETF-DZGCQCFKSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000361805548 287911384 /nfs/dbraw/zinc/91/13/84/287911384.db2.gz VNJSYYLIXPDVOV-MBNYWOFBSA-N 1 0 280.368 3.043 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000484297784 277306906 /nfs/dbraw/zinc/30/69/06/277306906.db2.gz VJUQIQAJOQBRRH-NILFDRSVSA-N 1 0 292.379 3.367 20 5 CGBDRO COc1cc(C[NH+]2[C@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184235360 277817454 /nfs/dbraw/zinc/81/74/54/277817454.db2.gz PBJNEBMNCUFUJU-NXEZZACHSA-N 1 0 282.315 3.115 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000357876062 277822439 /nfs/dbraw/zinc/82/24/39/277822439.db2.gz WJTAUSJKGITFPF-BJJXKVORSA-N 1 0 292.379 3.449 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000284868702 278134067 /nfs/dbraw/zinc/13/40/67/278134067.db2.gz PQGNSNNWOZQNST-RISCZKNCSA-N 1 0 294.420 3.257 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000397025162 288020385 /nfs/dbraw/zinc/02/03/85/288020385.db2.gz JNZMWQCEJATSKY-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)CC(F)(F)F ZINC000397035143 288020755 /nfs/dbraw/zinc/02/07/55/288020755.db2.gz ZTXXTHLPNSUHQX-SSDOTTSWSA-N 1 0 282.287 3.334 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000367629857 278272834 /nfs/dbraw/zinc/27/28/34/278272834.db2.gz BQNVYAMYBAFROQ-IINYFYTJSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCOC1 ZINC000266764131 278312826 /nfs/dbraw/zinc/31/28/26/278312826.db2.gz QTOSDHCNTSZZIH-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000293634701 278341757 /nfs/dbraw/zinc/34/17/57/278341757.db2.gz KJAFSQQHNAKQRM-SECBINFHSA-N 1 0 270.279 3.291 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000132474467 278382315 /nfs/dbraw/zinc/38/23/15/278382315.db2.gz DLBHAUPNAMPIDU-PWSUYJOCSA-N 1 0 266.366 3.141 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCC1 ZINC000398160757 288040053 /nfs/dbraw/zinc/04/00/53/288040053.db2.gz VYHQPNOCYRARMG-UHFFFAOYSA-N 1 0 266.316 3.402 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000356787887 278866934 /nfs/dbraw/zinc/86/69/34/278866934.db2.gz VJQIHPQGIMZSBC-RDBSUJKOSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@]1(C)CC=CCC1 ZINC000459745449 288100845 /nfs/dbraw/zinc/10/08/45/288100845.db2.gz FMNNVNFEQSFPMU-HNNXBMFYSA-N 1 0 260.337 3.492 20 5 CGBDRO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293684155 280068039 /nfs/dbraw/zinc/06/80/39/280068039.db2.gz NIPSTCXHDMKFHG-KMUNFCNLSA-N 1 0 290.363 3.084 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000540725101 288668611 /nfs/dbraw/zinc/66/86/11/288668611.db2.gz SAFWNFNFSXKHOU-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000554658020 289298594 /nfs/dbraw/zinc/29/85/94/289298594.db2.gz VTTFMSMOCMABCL-UHFFFAOYSA-N 1 0 276.258 3.273 20 5 CGBDRO CCCC[N@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000555140897 289329991 /nfs/dbraw/zinc/32/99/91/289329991.db2.gz ZBEJMWYEAJBKRY-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781542 300220460 /nfs/dbraw/zinc/22/04/60/300220460.db2.gz RXEZGYVWBFNWAK-CMPLNLGQSA-N 1 0 297.786 3.025 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153169613 321714619 /nfs/dbraw/zinc/71/46/19/321714619.db2.gz BRVLLPAXYLXEFN-MRVWCRGKSA-N 1 0 260.337 3.388 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@]1(C)CCCO1 ZINC000167056727 321908563 /nfs/dbraw/zinc/90/85/63/321908563.db2.gz PJISREJJVODEGO-WFASDCNBSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@]1(C)CCCO1 ZINC000167056837 321908839 /nfs/dbraw/zinc/90/88/39/321908839.db2.gz PJISREJJVODEGO-IUODEOHRSA-N 1 0 278.352 3.123 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000563542202 322002369 /nfs/dbraw/zinc/00/23/69/322002369.db2.gz ZDPZSJFJVNCCJZ-VBNZEHGJSA-N 1 0 294.395 3.433 20 5 CGBDRO CCc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000564312143 322026525 /nfs/dbraw/zinc/02/65/25/322026525.db2.gz CKPISPVSYCNXDH-UHFFFAOYSA-N 1 0 288.347 3.425 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000569391403 322246224 /nfs/dbraw/zinc/24/62/24/322246224.db2.gz KVOPYXAHKLQXSL-WFASDCNBSA-N 1 0 294.395 3.349 20 5 CGBDRO CC(C)[C@H]1[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1(C)C ZINC000570950860 322286298 /nfs/dbraw/zinc/28/62/98/322286298.db2.gz JTKNHUVYEVNYOE-CQSZACIVSA-N 1 0 262.353 3.461 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900131 322360603 /nfs/dbraw/zinc/36/06/03/322360603.db2.gz WNNMUHJKGRULNI-RISCZKNCSA-N 1 0 292.379 3.375 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000583093347 329314998 /nfs/dbraw/zinc/31/49/98/329314998.db2.gz HXVWPHYZGUOKMF-HIFRSBDPSA-N 1 0 292.379 3.233 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578642993 335658194 /nfs/dbraw/zinc/65/81/94/335658194.db2.gz JIXMCGANXLFUSB-AWEZNQCLSA-N 1 0 292.379 3.234 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000581201034 336024102 /nfs/dbraw/zinc/02/41/02/336024102.db2.gz WRSYYQUCCLQSOD-ZOWXZIJZSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1 ZINC000381693396 336070923 /nfs/dbraw/zinc/07/09/23/336070923.db2.gz NUWDGJFPBHVXPU-NSHDSACASA-N 1 0 270.279 3.120 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000581688453 336128543 /nfs/dbraw/zinc/12/85/43/336128543.db2.gz CMAGQKXZQNFKNA-LBPRGKRZSA-N 1 0 265.357 3.127 20 5 CGBDRO CC/C=C/C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385012557 336135869 /nfs/dbraw/zinc/13/58/69/336135869.db2.gz NNLBKNJLPFMLOH-ONEGZZNKSA-N 1 0 254.717 3.304 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000111254422 521969657 /nfs/dbraw/zinc/96/96/57/521969657.db2.gz JPYLOULXZHURLC-SNVBAGLBSA-N 1 0 254.305 3.212 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@H]32)c([N+](=O)[O-])cc1F ZINC000426476342 533823894 /nfs/dbraw/zinc/82/38/94/533823894.db2.gz ROTYZYYIHKMXFP-ZWNOBZJWSA-N 1 0 294.326 3.117 20 5 CGBDRO CC[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000746663617 572889720 /nfs/dbraw/zinc/88/97/20/572889720.db2.gz SUPNGLGBMKISCA-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000358351068 534349226 /nfs/dbraw/zinc/34/92/26/534349226.db2.gz HPCRGUDEQAVLIB-UVBJJODRSA-N 1 0 290.363 3.121 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012319 520776291 /nfs/dbraw/zinc/77/62/91/520776291.db2.gz ATGWEYFIVPMZJX-CABCVRRESA-N 1 0 280.368 3.187 20 5 CGBDRO C[NH+]1CCC(CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000164325829 523759410 /nfs/dbraw/zinc/75/94/10/523759410.db2.gz GDQIVIXTDVOFNL-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO CCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449177005 527751871 /nfs/dbraw/zinc/75/18/71/527751871.db2.gz OCTWTAUJPJRCMQ-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO CCCn1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000449346792 528846268 /nfs/dbraw/zinc/84/62/68/528846268.db2.gz DHGKPCLSRWUSDN-LBPRGKRZSA-N 1 0 288.351 3.052 20 5 CGBDRO CCC[C@@H]([NH2+]CC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000122248226 529005493 /nfs/dbraw/zinc/00/54/93/529005493.db2.gz ZEXFELZDRAWYAU-CQSZACIVSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000131881528 529021406 /nfs/dbraw/zinc/02/14/06/529021406.db2.gz ZZMBDICKCLQOBB-UKRRQHHQSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[C@@H]([NH2+]CC(CC)(CC)CO)c1cccc([N+](=O)[O-])c1 ZINC000181696719 529156168 /nfs/dbraw/zinc/15/61/68/529156168.db2.gz CCMBGXOHWLUQJT-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250761 529178832 /nfs/dbraw/zinc/17/88/32/529178832.db2.gz VGLBWFUONNNFSY-DLBZAZTESA-N 1 0 299.374 3.336 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449247781 529329146 /nfs/dbraw/zinc/32/91/46/529329146.db2.gz HFNYCMANBYNXSG-YPMHNXCESA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000459629244 534927734 /nfs/dbraw/zinc/92/77/34/534927734.db2.gz GVCCOPJABLZMJW-BJHJDKERSA-N 1 0 298.770 3.294 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000728289558 571799913 /nfs/dbraw/zinc/79/99/13/571799913.db2.gz OWWPMSRQPNMPLZ-AWEZNQCLSA-N 1 0 278.327 3.498 20 5 CGBDRO CC(C)[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccn1 ZINC000736647027 572803465 /nfs/dbraw/zinc/80/34/65/572803465.db2.gz BBTWBKWXHQLZJO-MRXNPFEDSA-N 1 0 285.347 3.477 20 5 CGBDRO Cc1c(C[NH2+]Cc2cc(F)cc(F)c2)cccc1[N+](=O)[O-] ZINC000225783221 572858336 /nfs/dbraw/zinc/85/83/36/572858336.db2.gz DYQCXJBVTWSCHO-UHFFFAOYSA-N 1 0 292.285 3.471 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000749397809 572999248 /nfs/dbraw/zinc/99/92/48/572999248.db2.gz XOTFRODMKPOZSD-LLPBQKLSSA-N 1 0 286.331 3.422 20 5 CGBDRO COc1c(O)ccc(C[N@H+](CC(C)C)C(C)C)c1[N+](=O)[O-] ZINC000891699276 618250326 /nfs/dbraw/zinc/25/03/26/618250326.db2.gz HVSRRLWARYDKRK-UHFFFAOYSA-N 1 0 296.367 3.175 20 5 CGBDRO CC[NH+](CC)CCSCc1cc(F)ccc1[N+](=O)[O-] ZINC000176945196 618767774 /nfs/dbraw/zinc/76/77/74/618767774.db2.gz SXJODPPWGOHYET-UHFFFAOYSA-N 1 0 286.372 3.309 20 5 CGBDRO CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000309666823 619045797 /nfs/dbraw/zinc/04/57/97/619045797.db2.gz UNDRDZHHGFSTCD-UHFFFAOYSA-N 1 0 263.124 3.401 20 5 CGBDRO Cc1c(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)cccc1[N+](=O)[O-] ZINC000261981958 619510779 /nfs/dbraw/zinc/51/07/79/619510779.db2.gz ALRLJUJERMLONJ-HZPDHXFCSA-N 1 0 297.358 3.138 20 5 CGBDRO C[NH+](C)CC[C@@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895324303 619805453 /nfs/dbraw/zinc/80/54/53/619805453.db2.gz GHBAYGHIWRZREF-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897463160 620339977 /nfs/dbraw/zinc/33/99/77/620339977.db2.gz BYFSMCZWIHYFPB-STQMWFEESA-N 1 0 292.379 3.103 20 5 CGBDRO Cc1ccoc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463677 620340373 /nfs/dbraw/zinc/34/03/73/620340373.db2.gz BETBQDGIASEQBD-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2CCCO)cc1 ZINC000925312549 620397509 /nfs/dbraw/zinc/39/75/09/620397509.db2.gz HWRFDNABOJRCLF-GDBMZVCRSA-N 1 0 292.379 3.016 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000897799760 620434570 /nfs/dbraw/zinc/43/45/70/620434570.db2.gz KUNFBMOCWRIJSW-GFCCVEGCSA-N 1 0 280.393 3.359 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897953075 620454265 /nfs/dbraw/zinc/45/42/65/620454265.db2.gz MIUUYRKAPSNPGP-WVRFHGKMSA-N 1 0 272.348 3.386 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC/C=C/Cl ZINC000898428135 620585182 /nfs/dbraw/zinc/58/51/82/620585182.db2.gz HDHYMRDZLHORGT-DAFODLJHSA-N 1 0 294.660 3.456 20 5 CGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000902889737 621487243 /nfs/dbraw/zinc/48/72/43/621487243.db2.gz QBUBEUZHBZFPBG-GDBMZVCRSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC2(C)CC2)cc([N+](=O)[O-])c1 ZINC000903123498 621589786 /nfs/dbraw/zinc/58/97/86/621589786.db2.gz CCMCTMOQTXVPRF-SNVBAGLBSA-N 1 0 264.325 3.054 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2C[C@H](SC)C2)cc([N+](=O)[O-])c1 ZINC000903212419 621631293 /nfs/dbraw/zinc/63/12/93/621631293.db2.gz LPRADSSQJURRKP-CHIMOYNISA-N 1 0 296.392 3.148 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903217164 621632239 /nfs/dbraw/zinc/63/22/39/621632239.db2.gz QRGBFECXTMAZJT-NEPJUHHUSA-N 1 0 276.336 3.220 20 5 CGBDRO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288277 621672117 /nfs/dbraw/zinc/67/21/17/621672117.db2.gz VRNKINCGCJHMNV-PWSUYJOCSA-N 1 0 286.335 3.105 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903315783 621686812 /nfs/dbraw/zinc/68/68/12/621686812.db2.gz HLBHFTAORFTRIJ-HQRZJTNHSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C/C=C\Cl ZINC000903443201 621754068 /nfs/dbraw/zinc/75/40/68/621754068.db2.gz DATWEBMSNYXNAB-XICOKMJESA-N 1 0 254.717 3.306 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C/C=C/Cl)cccc1[N+](=O)[O-] ZINC000903443217 621754751 /nfs/dbraw/zinc/75/47/51/621754751.db2.gz DGFXOPNGWTZJBL-QBBOHKLWSA-N 1 0 254.717 3.306 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C/C=C\Cl)cc([N+](=O)[O-])c1 ZINC000903444758 621755730 /nfs/dbraw/zinc/75/57/30/621755730.db2.gz QRCBGUSWJJYXMX-TYRPZCRBSA-N 1 0 270.716 3.007 20 5 CGBDRO CC[C@H](CSC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000163870131 622806103 /nfs/dbraw/zinc/80/61/03/622806103.db2.gz CBGPZXXMNGSAHV-SNVBAGLBSA-N 1 0 288.800 3.479 20 5 CGBDRO CCSCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231884106 623348170 /nfs/dbraw/zinc/34/81/70/623348170.db2.gz RVHBAWHEJUJHQT-UHFFFAOYSA-N 1 0 268.382 3.136 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000174156933 623368032 /nfs/dbraw/zinc/36/80/32/623368032.db2.gz HQUOQHPBEASSHS-UHFFFAOYSA-N 1 0 294.351 3.470 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)c1 ZINC000922966978 626109172 /nfs/dbraw/zinc/10/91/72/626109172.db2.gz BVJVBQGTPTXPEW-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000775063049 628059934 /nfs/dbraw/zinc/05/99/34/628059934.db2.gz NINVJSJDSNTZMX-UHFFFAOYSA-N 1 0 293.323 3.125 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582496 628220665 /nfs/dbraw/zinc/22/06/65/628220665.db2.gz RIXRNGVVMCUUHZ-HUUCEWRRSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584674 628221267 /nfs/dbraw/zinc/22/12/67/628221267.db2.gz OHDNWDUFFNYKLU-JKSUJKDBSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000785605151 628873420 /nfs/dbraw/zinc/87/34/20/628873420.db2.gz CTDKKQGKUWBVDX-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497188 629059341 /nfs/dbraw/zinc/05/93/41/629059341.db2.gz FTBMQMPWSWZMAF-SNVBAGLBSA-N 1 0 251.330 3.018 20 5 CGBDRO CCCCCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788496928 629059445 /nfs/dbraw/zinc/05/94/45/629059445.db2.gz CIJQDKLRCMGDTK-LLVKDONJSA-N 1 0 265.357 3.408 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCCF ZINC000811484491 631073293 /nfs/dbraw/zinc/07/32/93/631073293.db2.gz ZFBNPOJTYCMYEA-UHFFFAOYSA-N 1 0 281.114 3.351 20 5 CGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819342308 632434893 /nfs/dbraw/zinc/43/48/93/632434893.db2.gz PJFKUJMELWGOPO-IVMMDQJWSA-N 1 0 292.379 3.044 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000865747998 632876160 /nfs/dbraw/zinc/87/61/60/632876160.db2.gz XVSYLAPGLZTVSY-OAHLLOKOSA-N 1 0 292.379 3.341 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000865747697 632876188 /nfs/dbraw/zinc/87/61/88/632876188.db2.gz VONZBAIJLMMZEA-AWEZNQCLSA-N 1 0 296.342 3.171 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000866059450 632987934 /nfs/dbraw/zinc/98/79/34/632987934.db2.gz NPNRRVAHSHTGCW-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000866612457 633212895 /nfs/dbraw/zinc/21/28/95/633212895.db2.gz JCBPZLVTKFIUMB-RYUDHWBXSA-N 1 0 288.351 3.049 20 5 CGBDRO C[C@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000866636472 633224615 /nfs/dbraw/zinc/22/46/15/633224615.db2.gz KYBXNMCMWOYNDX-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@@H]2CCOC2)cc1Cl ZINC000825145332 633332140 /nfs/dbraw/zinc/33/21/40/633332140.db2.gz ZVHDKCKZIMBQRI-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@H]2CCOC2)cc1Cl ZINC000825145333 633332478 /nfs/dbraw/zinc/33/24/78/633332478.db2.gz ZVHDKCKZIMBQRI-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000871931494 633919180 /nfs/dbraw/zinc/91/91/80/633919180.db2.gz GFWCJHTUSLFVTD-ZWUHOBOKSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000831170033 633922094 /nfs/dbraw/zinc/92/20/94/633922094.db2.gz MYSUIQCRXQUXMT-HUUCEWRRSA-N 1 0 294.395 3.433 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831339708 633943263 /nfs/dbraw/zinc/94/32/63/633943263.db2.gz VSLDRJSBFUNEBJ-HIFRSBDPSA-N 1 0 296.342 3.027 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831348110 633945385 /nfs/dbraw/zinc/94/53/85/633945385.db2.gz SSZWXRLYICOYQD-HIFRSBDPSA-N 1 0 296.342 3.027 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039198 633958656 /nfs/dbraw/zinc/95/86/56/633958656.db2.gz DBNQCGNUXMPDFA-NWDGAFQWSA-N 1 0 298.358 3.183 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041947 633964749 /nfs/dbraw/zinc/96/47/49/633964749.db2.gz YAUQBVRSZSORMU-VHSXEESVSA-N 1 0 284.356 3.280 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H](C)O ZINC000872066548 633988583 /nfs/dbraw/zinc/98/85/83/633988583.db2.gz JEBMGAZVVGNTMD-GHMZBOCLSA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872074707 633996993 /nfs/dbraw/zinc/99/69/93/633996993.db2.gz GOIRFYDLJXPJFT-YGRLFVJLSA-N 1 0 284.331 3.200 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872079526 634003217 /nfs/dbraw/zinc/00/32/17/634003217.db2.gz ILZJZXDRGMOWLY-IJLUTSLNSA-N 1 0 296.342 3.342 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccc(O)cc1 ZINC000873035185 634235232 /nfs/dbraw/zinc/23/52/32/634235232.db2.gz DPIDYLIYKHXVBA-UHFFFAOYSA-N 1 0 286.331 3.207 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C)CCOCC1 ZINC000873074324 634241695 /nfs/dbraw/zinc/24/16/95/634241695.db2.gz MPCABDUSADKNNP-UHFFFAOYSA-N 1 0 292.379 3.118 20 5 CGBDRO Cc1cc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)ccn1 ZINC000873128774 634252049 /nfs/dbraw/zinc/25/20/49/634252049.db2.gz CYWMXZMXJCSOEF-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)F ZINC000873147709 634258858 /nfs/dbraw/zinc/25/88/58/634258858.db2.gz YKZNKFAUKHFJHV-UHFFFAOYSA-N 1 0 254.305 3.049 20 5 CGBDRO Cc1csc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000834883980 634265499 /nfs/dbraw/zinc/26/54/99/634265499.db2.gz VMPWJXVWTZAGCY-SNVBAGLBSA-N 1 0 291.376 3.398 20 5 CGBDRO CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000877094882 634983266 /nfs/dbraw/zinc/98/32/66/634983266.db2.gz MRAIINBQKRODMU-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)cccc1[N+](=O)[O-] ZINC000877736211 635169217 /nfs/dbraw/zinc/16/92/17/635169217.db2.gz QTPSYMLUNZOHLT-ZIAGYGMSSA-N 1 0 292.404 3.088 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccccc1[N+](=O)[O-] ZINC000878373537 635478708 /nfs/dbraw/zinc/47/87/08/635478708.db2.gz NBQBLPBMHDEMHD-OLZOCXBDSA-N 1 0 290.363 3.347 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000879696664 635836661 /nfs/dbraw/zinc/83/66/61/635836661.db2.gz LQUXJLZKOKRVKU-UHFFFAOYSA-N 1 0 280.368 3.014 20 5 CGBDRO C[C@H]([NH2+]C1CC2(CCC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846215101 636160402 /nfs/dbraw/zinc/16/04/02/636160402.db2.gz XMNPNFNJBBLHHA-JTQLQIEISA-N 1 0 275.352 3.160 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000850392024 637045493 /nfs/dbraw/zinc/04/54/93/637045493.db2.gz DMPHYAFBYAFXGE-PJXYFTJBSA-N 1 0 266.728 3.136 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850526192 637105665 /nfs/dbraw/zinc/10/56/65/637105665.db2.gz TYHSWGSEMPSRNS-STQMWFEESA-N 1 0 290.363 3.265 20 5 CGBDRO C[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCCCC1 ZINC000885930713 637317088 /nfs/dbraw/zinc/31/70/88/637317088.db2.gz FOTVVDCNLIZWGN-UHFFFAOYSA-N 1 0 263.341 3.002 20 5 CGBDRO CC(C)[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885942256 637323803 /nfs/dbraw/zinc/32/38/03/637323803.db2.gz MTGUFGCAFICTKC-HNNXBMFYSA-N 1 0 285.347 3.477 20 5 CGBDRO CC(C)(C)CC(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000885983715 637342879 /nfs/dbraw/zinc/34/28/79/637342879.db2.gz NOAIBJKSDCFWHM-UHFFFAOYSA-N 1 0 265.357 3.294 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018538 637367223 /nfs/dbraw/zinc/36/72/23/637367223.db2.gz BXUYYDHLURWGFU-VXGBXAGGSA-N 1 0 263.341 3.000 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886026370 637371309 /nfs/dbraw/zinc/37/13/09/637371309.db2.gz VDGCCUMUOUTKLS-AWEZNQCLSA-N 1 0 263.341 3.002 20 5 CGBDRO CCS[C@@H]1CC[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027288 637373441 /nfs/dbraw/zinc/37/34/41/637373441.db2.gz CZNARKREJSMENJ-QWHCGFSZSA-N 1 0 295.408 3.096 20 5 CGBDRO C[C@@]1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCc2ccccc21 ZINC000886064927 637397566 /nfs/dbraw/zinc/39/75/66/637397566.db2.gz LIFPISUEIYJTEU-QGZVFWFLSA-N 1 0 297.358 3.331 20 5 CGBDRO CCSCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000301770118 637883449 /nfs/dbraw/zinc/88/34/49/637883449.db2.gz CSFHPSNTOMGZJP-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)OCC ZINC000858451026 638722877 /nfs/dbraw/zinc/72/28/77/638722877.db2.gz MBPPELQUZMWHIA-DGCLKSJQSA-N 1 0 295.383 3.033 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000926797613 638813319 /nfs/dbraw/zinc/81/33/19/638813319.db2.gz VEOCYQICHLPULW-GJZGRUSLSA-N 1 0 292.379 3.054 20 5 CGBDRO C[C@H]([NH2+]C[C@]12CCC[C@H]1OCC2)c1cccc([N+](=O)[O-])c1 ZINC000926920412 638825610 /nfs/dbraw/zinc/82/56/10/638825610.db2.gz WTWYPFGQWIUUGR-APHBMKBZSA-N 1 0 290.363 3.205 20 5 CGBDRO COC[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000927096884 638841141 /nfs/dbraw/zinc/84/11/41/638841141.db2.gz JJZPFYLWHBPXBU-TZMCWYRMSA-N 1 0 280.368 3.164 20 5 CGBDRO C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC[N+](=O)[O-] ZINC000929382689 638922661 /nfs/dbraw/zinc/92/26/61/638922661.db2.gz GZKVWYDWLYAVBT-QMMMGPOBSA-N 1 0 277.151 3.263 20 5 CGBDRO C[C@H]([NH2+]CCCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000930593953 639034717 /nfs/dbraw/zinc/03/47/17/639034717.db2.gz FWDONUAKZJALAY-ZDUSSCGKSA-N 1 0 285.347 3.273 20 5 CGBDRO COCCSCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178017 639287888 /nfs/dbraw/zinc/28/78/88/639287888.db2.gz TXOHWFZKTJZGHD-GFCCVEGCSA-N 1 0 298.408 3.015 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176625 639288037 /nfs/dbraw/zinc/28/80/37/639288037.db2.gz KDIUDZFQANVKAF-SHPPOPEUSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774921 640801925 /nfs/dbraw/zinc/80/19/25/640801925.db2.gz UZHFGMZDWGVVFO-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO CC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774776 640802267 /nfs/dbraw/zinc/80/22/67/640802267.db2.gz QPUHMEKTFMMEMX-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774367 640802392 /nfs/dbraw/zinc/80/23/92/640802392.db2.gz IUVRAJQQCWYMLM-LLVKDONJSA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000252685747 640858035 /nfs/dbraw/zinc/85/80/35/640858035.db2.gz IPGJZGIWUXEAPA-UNIGVISCSA-N 1 0 292.379 3.043 20 5 CGBDRO [NH3+]CCc1cccc(Nc2ccc([N+](=O)[O-])cc2Cl)c1 ZINC001159674601 806148427 /nfs/dbraw/zinc/14/84/27/806148427.db2.gz JXNSTASTUTUSOJ-UHFFFAOYSA-N 1 0 291.738 3.493 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1F ZINC001254532832 806445101 /nfs/dbraw/zinc/44/51/01/806445101.db2.gz QSTLKGFHPCCKSW-FPMFFAJLSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]COc1ccccc1 ZINC001254542953 806446465 /nfs/dbraw/zinc/44/64/65/806446465.db2.gz QNHPFMXLUSUHAJ-CYBMUJFWSA-N 1 0 286.331 3.152 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC(C)C1 ZINC001254552000 806447510 /nfs/dbraw/zinc/44/75/10/806447510.db2.gz HUDHQAVZUSCQNP-MBHSVXNSSA-N 1 0 262.353 3.256 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](F)CC1 ZINC001254551449 806447864 /nfs/dbraw/zinc/44/78/64/806447864.db2.gz BENZMLRVKYYNAN-JSGCOSHPSA-N 1 0 280.343 3.350 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254551132 806448213 /nfs/dbraw/zinc/44/82/13/806448213.db2.gz YQYHVALSMSPKKZ-YUELXQCFSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(CC2CC2)CC1 ZINC001254549659 806448317 /nfs/dbraw/zinc/44/83/17/806448317.db2.gz VYDUTNOHZKWSQJ-LBPRGKRZSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254571877 806454364 /nfs/dbraw/zinc/45/43/64/806454364.db2.gz COQJIUQVGWCKKU-ABAIWWIYSA-N 1 0 298.342 3.118 20 5 CGBDRO CC(C)CC[C@@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576321 806454646 /nfs/dbraw/zinc/45/46/46/806454646.db2.gz VNKHWIWPQCKFEL-DOMZBBRYSA-N 1 0 276.380 3.476 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584167 806455734 /nfs/dbraw/zinc/45/57/34/806455734.db2.gz QVRNQBUHVCIZGX-MLGOLLRUSA-N 1 0 282.343 3.413 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1(c3ccccc3)CC1)C2 ZINC001254584256 806456014 /nfs/dbraw/zinc/45/60/14/806456014.db2.gz RBVORCWFBKDBEB-MRXNPFEDSA-N 1 0 294.354 3.341 20 5 CGBDRO CCC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254592362 806456970 /nfs/dbraw/zinc/45/69/70/806456970.db2.gz CDERPPINPUWWHX-MRXNPFEDSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC13CCCC3)C2 ZINC001254593200 806457303 /nfs/dbraw/zinc/45/73/03/806457303.db2.gz JUXUPJVRGJITEU-HNNXBMFYSA-N 1 0 272.348 3.081 20 5 CGBDRO C[C@H]1C[NH+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@@H]1C ZINC000091439860 798953939 /nfs/dbraw/zinc/95/39/39/798953939.db2.gz AMBNDRHPNVBJCP-UWVGGRQHSA-N 1 0 268.744 3.336 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC001163395547 806758228 /nfs/dbraw/zinc/75/82/28/806758228.db2.gz QPRGSLIUONWQBK-INIZCTEOSA-N 1 0 297.358 3.254 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OC[C@H]1CCCC[NH2+]C1 ZINC000697089357 799842235 /nfs/dbraw/zinc/84/22/35/799842235.db2.gz XAQWYUFYUVAUCI-JTQLQIEISA-N 1 0 284.743 3.017 20 5 CGBDRO C[C@H](CCNc1ccc([N+](=O)[O-])cc1C(F)F)[NH+](C)C ZINC000697907380 799850092 /nfs/dbraw/zinc/85/00/92/799850092.db2.gz NKCDSPLSIPHSRG-SECBINFHSA-N 1 0 287.310 3.285 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CC1 ZINC000706921787 799970580 /nfs/dbraw/zinc/97/05/80/799970580.db2.gz GZQLEOHDWDSVJQ-VIFPVBQESA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2C[C@H]2C2CC2)cs1 ZINC000712646332 800096399 /nfs/dbraw/zinc/09/63/99/800096399.db2.gz UMAYBYWEGWLPMO-NEPJUHHUSA-N 1 0 266.366 3.182 20 5 CGBDRO Cc1ccc(C[NH2+]C2CC(C(C)C)C2)cc1[N+](=O)[O-] ZINC000714731186 800128262 /nfs/dbraw/zinc/12/82/62/800128262.db2.gz RMCAMPGNPNAYMK-UHFFFAOYSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccns1)c1ccc([N+](=O)[O-])cc1 ZINC000715929193 800153867 /nfs/dbraw/zinc/15/38/67/800153867.db2.gz BUUHBRSMHQJTHS-ZJUUUORDSA-N 1 0 277.349 3.463 20 5 CGBDRO CN(CCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001163989846 806870357 /nfs/dbraw/zinc/87/03/57/806870357.db2.gz IECNBQRDCOZINO-UHFFFAOYSA-N 1 0 291.395 3.297 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cs1 ZINC001118565617 802585097 /nfs/dbraw/zinc/58/50/97/802585097.db2.gz PDUVNPZJQOVEOU-KXUCPTDWSA-N 1 0 288.319 3.180 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]c3c2CCC3)c(Cl)c1 ZINC001248598691 804960098 /nfs/dbraw/zinc/96/00/98/804960098.db2.gz PXKMYMQFICXGQJ-UHFFFAOYSA-N 1 0 289.722 3.297 20 5 CGBDRO Cc1[nH+]cn(C)c1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001248598639 804960277 /nfs/dbraw/zinc/96/02/77/804960277.db2.gz OMYZQEUWBMPBAG-UHFFFAOYSA-N 1 0 266.688 3.034 20 5 CGBDRO C[NH2+]Cc1cccc(Nc2ncc(Cl)cc2[N+](=O)[O-])c1 ZINC001167032472 807132707 /nfs/dbraw/zinc/13/27/07/807132707.db2.gz BBMVYKQZYYHSBG-UHFFFAOYSA-N 1 0 292.726 3.106 20 5 CGBDRO CCCOCCNc1ccccc1C[N+](C)(C)CC ZINC001167873291 807266211 /nfs/dbraw/zinc/26/62/11/807266211.db2.gz LBPIAVIMKOQBAH-UHFFFAOYSA-N 1 0 265.421 3.121 20 5 CGBDRO Cc1cccc(N(C(N)=[NH2+])c2ccc(F)cc2)c1[N+](=O)[O-] ZINC001167992278 807292361 /nfs/dbraw/zinc/29/23/61/807292361.db2.gz NTBNDNPFSOGVHE-UHFFFAOYSA-N 1 0 288.282 3.074 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCCC[C@@H]1[NH+](C)C ZINC001168601941 807454247 /nfs/dbraw/zinc/45/42/47/807454247.db2.gz XDKHAHMBQLGCMI-STQMWFEESA-N 1 0 277.368 3.188 20 5 CGBDRO CC[C@H](C)C[C@@H](C)Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168692084 807482741 /nfs/dbraw/zinc/48/27/41/807482741.db2.gz XEFHKYSYJADJFE-WDEREUQCSA-N 1 0 277.368 3.435 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168965929 807542602 /nfs/dbraw/zinc/54/26/02/807542602.db2.gz DOLASJBRKAKHTE-GDBMZVCRSA-N 1 0 276.380 3.345 20 5 CGBDRO CCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168972798 807544097 /nfs/dbraw/zinc/54/40/97/807544097.db2.gz BJDXVXIDXDYQCX-CHWSQXEVSA-N 1 0 254.374 3.134 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001168968193 807544121 /nfs/dbraw/zinc/54/41/21/807544121.db2.gz XITQOMHCBZXGIB-DOMZBBRYSA-N 1 0 274.364 3.099 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC001168976727 807544992 /nfs/dbraw/zinc/54/49/92/807544992.db2.gz FTAOCWWDFKFBQK-JSGCOSHPSA-N 1 0 254.374 3.134 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC(C)(C)C1 ZINC001168978414 807545765 /nfs/dbraw/zinc/54/57/65/807545765.db2.gz RXKAJUUXGWDEES-RFGFWPKPSA-N 1 0 268.401 3.236 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(OC)c1 ZINC001168984996 807546894 /nfs/dbraw/zinc/54/68/94/807546894.db2.gz BXTWLGANHXVMSV-DUVNUKRYSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)C1 ZINC001168986748 807547379 /nfs/dbraw/zinc/54/73/79/807547379.db2.gz YYQLRPCGVXNPHF-UEKVPHQBSA-N 1 0 294.782 3.362 20 5 CGBDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC1CCC1 ZINC001168996515 807549255 /nfs/dbraw/zinc/54/92/55/807549255.db2.gz VMCCSUZJRSMMIP-UONOGXRCSA-N 1 0 268.401 3.238 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001169001662 807549321 /nfs/dbraw/zinc/54/93/21/807549321.db2.gz HFFHDKKOQAKCEU-JVLSTEMRSA-N 1 0 298.333 3.451 20 5 CGBDRO Cc1cccc(C2([NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)c1 ZINC001169002557 807550395 /nfs/dbraw/zinc/55/03/95/807550395.db2.gz LAIDGNGCRMSLGG-UKRRQHHQSA-N 1 0 274.364 3.019 20 5 CGBDRO CC(C)C[NH+](CC(C)C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169010166 807551754 /nfs/dbraw/zinc/55/17/54/807551754.db2.gz ZEEFXPUPDXVKIE-KBPBESRZSA-N 1 0 256.390 3.046 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2C2CCCCC2)C1 ZINC001169039662 807556703 /nfs/dbraw/zinc/55/67/03/807556703.db2.gz RXTOGRFAZGHTBS-VNQPRFMTSA-N 1 0 280.412 3.477 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC3(CC3)C2)c([N+](=O)[O-])c1 ZINC001170336518 807826638 /nfs/dbraw/zinc/82/66/38/807826638.db2.gz YOEKEWWNVIIWTF-GFCCVEGCSA-N 1 0 290.363 3.020 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C1CCCC1)CC2 ZINC001172896255 808475025 /nfs/dbraw/zinc/47/50/25/808475025.db2.gz BZGSARXQQDESLN-OAHLLOKOSA-N 1 0 274.364 3.374 20 5 CGBDRO CC(C)C[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908239 808475899 /nfs/dbraw/zinc/47/58/99/808475899.db2.gz LCRMUYLVSVWVLP-OAHLLOKOSA-N 1 0 276.380 3.430 20 5 CGBDRO CC/C=C/[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903576 808476563 /nfs/dbraw/zinc/47/65/63/808476563.db2.gz RHZFLHROTRVTDT-LTVLPBHKSA-N 1 0 260.337 3.356 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccncc1 ZINC001173209543 808537663 /nfs/dbraw/zinc/53/76/63/808537663.db2.gz CUVPBVCOWAHGNM-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccnc1 ZINC001173216100 808538951 /nfs/dbraw/zinc/53/89/51/808538951.db2.gz KJQZTOXXDVHTLX-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]COc1ccccc1 ZINC001173220311 808540072 /nfs/dbraw/zinc/54/00/72/808540072.db2.gz YAYOAEXTSGDLSD-CYBMUJFWSA-N 1 0 286.331 3.152 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CC[NH3+])c1 ZINC001173222831 808540351 /nfs/dbraw/zinc/54/03/51/808540351.db2.gz ZIEDESKEMXJJNM-CYBMUJFWSA-N 1 0 299.374 3.139 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@](C)(CF)C1 ZINC001173222997 808540380 /nfs/dbraw/zinc/54/03/80/808540380.db2.gz WAZLONFUWYNBKE-SWLSCSKDSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccoc1 ZINC001173218811 808540495 /nfs/dbraw/zinc/54/04/95/808540495.db2.gz MHXLXQRFBIQVCP-NEPJUHHUSA-N 1 0 274.320 3.470 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228408 808541238 /nfs/dbraw/zinc/54/12/38/808541238.db2.gz WFQOFCXTNRPPDV-TZMCWYRMSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(F)(F)CC1 ZINC001173229233 808542355 /nfs/dbraw/zinc/54/23/55/808542355.db2.gz RUAIJRACOBUUBB-LLVKDONJSA-N 1 0 284.306 3.257 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC001175103671 809272591 /nfs/dbraw/zinc/27/25/91/809272591.db2.gz OBAJHIYIWOGKSM-BBRMVZONSA-N 1 0 290.363 3.238 20 5 CGBDRO CCc1cc(Nc2ccc(C=C[N+](=O)[O-])cc2)cc[nH+]1 ZINC001175901110 809567976 /nfs/dbraw/zinc/56/79/76/809567976.db2.gz JBERDMGHWBLOLG-CSKARUKUSA-N 1 0 269.304 3.057 20 5 CGBDRO Cc1ccc(Nc2cnc3c(c2)C[N@H+](C)CC3)c([N+](=O)[O-])c1 ZINC001214167623 815375892 /nfs/dbraw/zinc/37/58/92/815375892.db2.gz PUBYKBHHPHZLEP-UHFFFAOYSA-N 1 0 298.346 3.030 20 5 CGBDRO C[C@]12C[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@H]1[C@H]1CC[C@@H]2C1 ZINC001198252022 811487620 /nfs/dbraw/zinc/48/76/20/811487620.db2.gz MLFXKKWOCBVNDC-PWXKEOIMSA-N 1 0 286.375 3.463 20 5 CGBDRO CN(C)c1cc(Nc2c(F)ccc([N+](=O)[O-])c2F)cc[nH+]1 ZINC001215289570 815503645 /nfs/dbraw/zinc/50/36/45/815503645.db2.gz NKVKBTCITWZBAR-UHFFFAOYSA-N 1 0 294.261 3.078 20 5 CGBDRO C[N@@H+]1CCc2ccc(Nc3cccc([N+](=O)[O-])c3)cc2C1 ZINC001204477615 812652649 /nfs/dbraw/zinc/65/26/49/812652649.db2.gz WLTDPKQTLUQBLQ-UHFFFAOYSA-N 1 0 283.331 3.326 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001217957381 816016754 /nfs/dbraw/zinc/01/67/54/816016754.db2.gz HTXQVYIOAONEIL-KDYLLFBJSA-N 1 0 298.342 3.391 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001217956497 816016858 /nfs/dbraw/zinc/01/68/58/816016858.db2.gz SMNGSTJDIAPMRP-GASCZTMLSA-N 1 0 298.342 3.391 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001217956662 816017181 /nfs/dbraw/zinc/01/71/81/816017181.db2.gz XBRICDGBKZEWEH-TXEJJXNPSA-N 1 0 278.352 3.022 20 5 CGBDRO C[C@H](Oc1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218003269 816045108 /nfs/dbraw/zinc/04/51/08/816045108.db2.gz QSKFWMXUCVIDFP-VIFPVBQESA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+]CC[C@@H]1C ZINC001218028674 816063693 /nfs/dbraw/zinc/06/36/93/816063693.db2.gz WJZFMGNQMBNLEQ-CABZTGNLSA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Cl ZINC001218028467 816063716 /nfs/dbraw/zinc/06/37/16/816063716.db2.gz FZBQVNTWHLDNOO-RNCFNFMXSA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1cc(C)c(OC2CC3(C2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001218103021 816100473 /nfs/dbraw/zinc/10/04/73/816100473.db2.gz JSYZBFLAIGTIRY-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CC[C@@]12CC[NH2+]C2 ZINC001218117659 816104701 /nfs/dbraw/zinc/10/47/01/816104701.db2.gz TYQDPYTZCILECD-RDJZCZTQSA-N 1 0 298.342 3.269 20 5 CGBDRO F[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218319216 816166243 /nfs/dbraw/zinc/16/62/43/816166243.db2.gz DROCKPBPOSQSEH-PBHICJAKSA-N 1 0 296.345 3.467 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001218381620 816183969 /nfs/dbraw/zinc/18/39/69/816183969.db2.gz FENITFXDTQOWSB-MEDUHNTESA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218411810 816201314 /nfs/dbraw/zinc/20/13/14/816201314.db2.gz BTGJOARSZAYKEW-KZULUSFZSA-N 1 0 293.370 3.160 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001218476680 816233700 /nfs/dbraw/zinc/23/37/00/816233700.db2.gz JPQZOIOWNVOMJX-GFCCVEGCSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H](OC1CC[NH+](CCF)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223433296 816629941 /nfs/dbraw/zinc/62/99/41/816629941.db2.gz YRHMKPFOBMABRT-LBPRGKRZSA-N 1 0 296.342 3.106 20 5 CGBDRO Cc1noc(-c2ccccc2)c1CO[C@@H](C)C[N+](C)(C)C ZINC001223759079 816677512 /nfs/dbraw/zinc/67/75/12/816677512.db2.gz KIZSCVNURLJNMP-ZDUSSCGKSA-N 1 0 289.399 3.261 20 5 CGBDRO C[C@@H](OC1C[NH+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224020411 816722238 /nfs/dbraw/zinc/72/22/38/816722238.db2.gz VRKSPJPRFBBVDR-LLVKDONJSA-N 1 0 278.352 3.155 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224330282 816778642 /nfs/dbraw/zinc/77/86/42/816778642.db2.gz FEEKIBMOPCJQAT-KOMQPUFPSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](OCC1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001224454784 816806546 /nfs/dbraw/zinc/80/65/46/816806546.db2.gz RPIPRAWSMMJEGR-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCC1CC(OCc2ccccc2)C1 ZINC001225057919 816942170 /nfs/dbraw/zinc/94/21/70/816942170.db2.gz YKQRVUSSVGLASG-FAEJEUNOSA-N 1 0 292.443 3.093 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC001226760848 817455219 /nfs/dbraw/zinc/45/52/19/817455219.db2.gz CKTCTLFOOIZERQ-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226809240 817471174 /nfs/dbraw/zinc/47/11/74/817471174.db2.gz BNNVVWADXXYWEO-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)C(=O)c1ccccc1-2 ZINC001227429518 817646972 /nfs/dbraw/zinc/64/69/72/817646972.db2.gz YBGCCXPSZMDUEW-CYBMUJFWSA-N 1 0 296.390 3.372 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OC(F)(F)F)c(F)c1 ZINC001227627129 817686080 /nfs/dbraw/zinc/68/60/80/817686080.db2.gz BFDKKMGOUUEWGC-SECBINFHSA-N 1 0 296.284 3.198 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc2cccc(Cl)c2c1 ZINC001231144059 818043428 /nfs/dbraw/zinc/04/34/28/818043428.db2.gz ONNTUQRRQWIBJV-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cc(O[C@@H]2CC[N@@H+](C(C)C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001234869854 818940465 /nfs/dbraw/zinc/94/04/65/818940465.db2.gz CYGNTCMDYPSCAH-CQSZACIVSA-N 1 0 292.379 3.382 20 5 CGBDRO Cc1cc(F)cc(N2CCc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001339611259 936379085 /nfs/dbraw/zinc/37/90/85/936379085.db2.gz XLFZYBBTCLDPJX-UHFFFAOYSA-N 1 0 287.294 3.000 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)C1CCC(C)(C)CC1 ZINC001459666599 937495560 /nfs/dbraw/zinc/49/55/60/937495560.db2.gz DYKJZAJXAZFROD-UHFFFAOYSA-N 1 0 294.399 3.000 20 5 CGBDRO CC[N@H+]1[C@H](C)CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001460326224 937526532 /nfs/dbraw/zinc/52/65/32/937526532.db2.gz ABGWIXFEWSWVIX-HZSPNIEDSA-N 1 0 291.395 3.070 20 5 CGBDRO COc1ccc([C@H](C)OCCC[N+](C)(C)C)c(F)c1 ZINC001224621511 932037972 /nfs/dbraw/zinc/03/79/72/932037972.db2.gz WASAZOASFQEKIX-LBPRGKRZSA-N 1 0 270.368 3.008 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@H](C)C[C@H]1C ZINC001461861824 937603190 /nfs/dbraw/zinc/60/31/90/937603190.db2.gz RJKGQLFCBFYEOM-ZYHUDNBSSA-N 1 0 262.353 3.442 20 5 CGBDRO Cc1cc(O[C@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1Cl ZINC001229974762 932513589 /nfs/dbraw/zinc/51/35/89/932513589.db2.gz INOMIAGKAKCZMP-AWEZNQCLSA-N 1 0 296.754 3.030 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1ccc([N+](=O)[O-])c(Cl)c1Cl ZINC001230040269 932527348 /nfs/dbraw/zinc/52/73/48/932527348.db2.gz KZPVIWHBSLVMJR-ZETCQYMHSA-N 1 0 293.150 3.231 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C)c(C)c([N+](=O)[O-])c2)C1 ZINC001230476912 932576265 /nfs/dbraw/zinc/57/62/65/932576265.db2.gz HIHLZYVBOGGOGZ-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001307834872 933006286 /nfs/dbraw/zinc/00/62/86/933006286.db2.gz POOAXFKZILREJD-LBPRGKRZSA-N 1 0 262.353 3.400 20 5 CGBDRO CC1([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001320094679 933999332 /nfs/dbraw/zinc/99/93/32/933999332.db2.gz MHKHSGXVXCFXJO-GXTWGEPZSA-N 1 0 274.364 3.448 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001322680114 934328523 /nfs/dbraw/zinc/32/85/23/934328523.db2.gz DVYQEOOIAOPTDQ-DGCLKSJQSA-N 1 0 281.331 3.019 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C/C1CC1)C1CC1 ZINC001324240407 934475900 /nfs/dbraw/zinc/47/59/00/934475900.db2.gz WFGOQXPOCUMDEC-QDLOVBKTSA-N 1 0 286.375 3.472 20 5 CGBDRO CC1(C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC001473205062 937797204 /nfs/dbraw/zinc/79/72/04/937797204.db2.gz BPPZUCDXJKPNOZ-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO CO[C@@H](CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001330547865 935294606 /nfs/dbraw/zinc/29/46/06/935294606.db2.gz SSFFIVGZCDAZKU-INIZCTEOSA-N 1 0 290.363 3.116 20 5 CGBDRO CC1([NH2+]Cc2cc(Br)c([N+](=O)[O-])s2)CC1 ZINC001333353197 935528475 /nfs/dbraw/zinc/52/84/75/935528475.db2.gz QPVSUKNNOIRDCK-UHFFFAOYSA-N 1 0 291.170 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2C[NH+](C[C@H]3CC=CCC3)C2)cc1 ZINC001474570142 937867781 /nfs/dbraw/zinc/86/77/81/937867781.db2.gz ZNWWCNYSTFIDDO-ZDUSSCGKSA-N 1 0 288.347 3.014 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C)cc([N+](=O)[O-])c1 ZINC001522827620 938037891 /nfs/dbraw/zinc/03/78/91/938037891.db2.gz VKVAXYCMSUFQIV-NSHDSACASA-N 1 0 293.367 3.008 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001561027179 938290273 /nfs/dbraw/zinc/29/02/73/938290273.db2.gz XRKATGHJWDFNDL-JURCDPSOSA-N 1 0 274.364 3.477 20 5 CGBDRO C[C@H](C[NH2+][C@H]1C[C@@H]2CCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC001561027178 938290412 /nfs/dbraw/zinc/29/04/12/938290412.db2.gz XRKATGHJWDFNDL-DHMWGJHJSA-N 1 0 274.364 3.477 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000338012888 214360905 /nfs/dbraw/zinc/36/09/05/214360905.db2.gz PAYMSSCCLJYYHS-WFASDCNBSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](C2CCC2)CC1 ZINC000590729903 346870014 /nfs/dbraw/zinc/87/00/14/346870014.db2.gz JTVYQEQHOTZFGW-UHFFFAOYSA-N 1 0 281.381 3.085 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591061647 346897487 /nfs/dbraw/zinc/89/74/87/346897487.db2.gz BPKZLLPIXYRNNP-CYBMUJFWSA-N 1 0 260.337 3.217 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CC)[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000414301805 529654286 /nfs/dbraw/zinc/65/42/86/529654286.db2.gz TZAZZLXKBZUAIH-JYJNAYRXSA-N 1 0 294.395 3.431 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358175898 529689606 /nfs/dbraw/zinc/68/96/06/529689606.db2.gz ZXOZZNLAXLGSIX-JSGCOSHPSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000223437259 282242411 /nfs/dbraw/zinc/24/24/11/282242411.db2.gz LHTQNGLCWIDTNV-ABAIWWIYSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@@H]1CC[NH2+]C1 ZINC000592158446 346967848 /nfs/dbraw/zinc/96/78/48/346967848.db2.gz CCLNBVMXJPVVNL-CYBMUJFWSA-N 1 0 298.342 3.250 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000592395428 346983266 /nfs/dbraw/zinc/98/32/66/346983266.db2.gz BGLFYHWLIKWKEO-OBJOEFQTSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592399022 346983891 /nfs/dbraw/zinc/98/38/91/346983891.db2.gz LRHCBBFXNNCDRF-COLVAYQJSA-N 1 0 292.404 3.456 20 5 CGBDRO CC[N@H+](CCSC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000592529946 346997399 /nfs/dbraw/zinc/99/73/99/346997399.db2.gz QTMQNOBKHOZFDI-UHFFFAOYSA-N 1 0 268.382 3.088 20 5 CGBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cc1 ZINC000038079387 344954750 /nfs/dbraw/zinc/95/47/50/344954750.db2.gz JCUOLMAKARIFMR-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000037404429 344949990 /nfs/dbraw/zinc/94/99/90/344949990.db2.gz DMFMNMFPCYMYQJ-JTQLQIEISA-N 1 0 295.770 3.144 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1cccs1 ZINC000063256176 345244644 /nfs/dbraw/zinc/24/46/44/345244644.db2.gz VGXWYHRPGOVIHM-SNVBAGLBSA-N 1 0 297.405 3.433 20 5 CGBDRO CC[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059403269 345207292 /nfs/dbraw/zinc/20/72/92/345207292.db2.gz KNRIRXJAFYIFQX-CYBMUJFWSA-N 1 0 262.353 3.259 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000064014428 345255521 /nfs/dbraw/zinc/25/55/21/345255521.db2.gz OUXQBBWDSAHXJB-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC000076177835 345537966 /nfs/dbraw/zinc/53/79/66/345537966.db2.gz WJRSFEXBIKGUET-CYBMUJFWSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083127485 345724485 /nfs/dbraw/zinc/72/44/85/345724485.db2.gz VWHSJJQCQCSAGI-SNVBAGLBSA-N 1 0 275.308 3.110 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000090224313 345786351 /nfs/dbraw/zinc/78/63/51/345786351.db2.gz GEPQPPWFULVNOK-HNNXBMFYSA-N 1 0 288.351 3.052 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000090909947 345796973 /nfs/dbraw/zinc/79/69/73/345796973.db2.gz VYPSLKWUYKNSKX-CQSZACIVSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173323493 232280340 /nfs/dbraw/zinc/28/03/40/232280340.db2.gz OXALDIYOOSIOSX-KBPBESRZSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000140608761 346105404 /nfs/dbraw/zinc/10/54/04/346105404.db2.gz QOMDXLJJEHOMAL-CYBMUJFWSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]([NH2+]CC1CCSCC1)c1ccccc1[N+](=O)[O-] ZINC000135365344 346088083 /nfs/dbraw/zinc/08/80/83/346088083.db2.gz ZURKMQMQHRADEO-LLVKDONJSA-N 1 0 280.393 3.389 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000157395210 346161373 /nfs/dbraw/zinc/16/13/73/346161373.db2.gz XEZZXRSORFVOHA-LBPRGKRZSA-N 1 0 277.368 3.045 20 5 CGBDRO CCOC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255572376 346397544 /nfs/dbraw/zinc/39/75/44/346397544.db2.gz UYQNWGOXLKNBBV-ALCCZGGFSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000293102205 346430856 /nfs/dbraw/zinc/43/08/56/346430856.db2.gz LBZZDXDBGOAHKS-KBPBESRZSA-N 1 0 292.379 3.059 20 5 CGBDRO C[C@H](c1ccncc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773241 346733749 /nfs/dbraw/zinc/73/37/49/346733749.db2.gz GAJPNRUKNDWQDM-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCC2)CC1 ZINC000586783448 346735640 /nfs/dbraw/zinc/73/56/40/346735640.db2.gz QQVQIESUMYPWFO-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593694883 347104548 /nfs/dbraw/zinc/10/45/48/347104548.db2.gz DMRFRMUKAULDJI-KQIUPUNMSA-N 1 0 294.301 3.339 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)COCC2CC2)cc1[N+](=O)[O-] ZINC000593718094 347107773 /nfs/dbraw/zinc/10/77/73/347107773.db2.gz KBDIAZCPEVGTML-STQMWFEESA-N 1 0 292.379 3.369 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC000589598925 346801744 /nfs/dbraw/zinc/80/17/44/346801744.db2.gz HLWKHZNYZIINNI-GFCCVEGCSA-N 1 0 265.357 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000594597025 347198460 /nfs/dbraw/zinc/19/84/60/347198460.db2.gz CBMXXBIYZWXLHX-LSDHHAIUSA-N 1 0 275.352 3.024 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594597957 347199399 /nfs/dbraw/zinc/19/93/99/347199399.db2.gz FKRKGAOQFQVELJ-OCCSQVGLSA-N 1 0 275.352 3.024 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594603397 347200744 /nfs/dbraw/zinc/20/07/44/347200744.db2.gz UXGZJYZMVASBDK-MNOVXSKESA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000594491150 347177466 /nfs/dbraw/zinc/17/74/66/347177466.db2.gz XBDDCHPXXNQHPQ-IAQYHMDHSA-N 1 0 283.331 3.328 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594495391 347178758 /nfs/dbraw/zinc/17/87/58/347178758.db2.gz VTXGEKCSMPYODV-OAHLLOKOSA-N 1 0 283.331 3.075 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CCC1 ZINC000594501227 347180085 /nfs/dbraw/zinc/18/00/85/347180085.db2.gz JHZLHYSGQDURNX-HZMBPMFUSA-N 1 0 260.337 3.360 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594512934 347184014 /nfs/dbraw/zinc/18/40/14/347184014.db2.gz FPQZJZCFWDMGFS-LLVKDONJSA-N 1 0 286.397 3.197 20 5 CGBDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514210 347184661 /nfs/dbraw/zinc/18/46/61/347184661.db2.gz IEKFVESYTGBTNY-BLLLJJGKSA-N 1 0 297.358 3.198 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000594516792 347186380 /nfs/dbraw/zinc/18/63/80/347186380.db2.gz FTMPKLXWPBLNSW-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000594517233 347186490 /nfs/dbraw/zinc/18/64/90/347186490.db2.gz ITMVHRKOLPFWJS-HDJSIYSDSA-N 1 0 292.379 3.339 20 5 CGBDRO CC1(C)[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(F)F ZINC000594992868 347251008 /nfs/dbraw/zinc/25/10/08/347251008.db2.gz ZJBGIEFQRMGQBR-LLVKDONJSA-N 1 0 288.269 3.115 20 5 CGBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000594956307 347240171 /nfs/dbraw/zinc/24/01/71/347240171.db2.gz JDYGVISNPOPGFH-HNNXBMFYSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@]1(C)CC1(F)F ZINC000594976820 347246806 /nfs/dbraw/zinc/24/68/06/347246806.db2.gz HAACVLGHIUMGPV-GFCCVEGCSA-N 1 0 270.279 3.038 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594978317 347247073 /nfs/dbraw/zinc/24/70/73/347247073.db2.gz SKTHULWQGOHZRU-NSHDSACASA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000594978190 347247129 /nfs/dbraw/zinc/24/71/29/347247129.db2.gz QRYWMIGMUJIIFV-GFCCVEGCSA-N 1 0 270.279 3.120 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCOC(C)C ZINC000595003507 347253721 /nfs/dbraw/zinc/25/37/21/347253721.db2.gz IBGZSKAVUYDLJA-GFCCVEGCSA-N 1 0 296.367 3.069 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000595306056 347290434 /nfs/dbraw/zinc/29/04/34/347290434.db2.gz GWGOKVWWQMOPBD-AWEZNQCLSA-N 1 0 278.327 3.498 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595337597 347294200 /nfs/dbraw/zinc/29/42/00/347294200.db2.gz BJWAXAFJGQRACA-NSHDSACASA-N 1 0 266.316 3.212 20 5 CGBDRO CCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005308 347254572 /nfs/dbraw/zinc/25/45/72/347254572.db2.gz BVOJSLFAPJQNIH-QWRGUYRKSA-N 1 0 266.341 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCSC ZINC000595008735 347255063 /nfs/dbraw/zinc/25/50/63/347255063.db2.gz QGSHTBONTJTDFA-LLVKDONJSA-N 1 0 298.408 3.397 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC1CC1 ZINC000595020184 347259698 /nfs/dbraw/zinc/25/96/98/347259698.db2.gz VOFZBJOCVXMNCT-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO C[C@H](CSCCF)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000595025370 347260976 /nfs/dbraw/zinc/26/09/76/347260976.db2.gz GWABSAIHLMFQBP-GHMZBOCLSA-N 1 0 286.372 3.337 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1(C2CC2)CC1 ZINC000595035916 347264706 /nfs/dbraw/zinc/26/47/06/347264706.db2.gz NKRSEAIGILTZMA-NSHDSACASA-N 1 0 290.363 3.444 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595041674 347267000 /nfs/dbraw/zinc/26/70/00/347267000.db2.gz NWZNHTTYOGYJJH-DGCLKSJQSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000595047935 347268867 /nfs/dbraw/zinc/26/88/67/347268867.db2.gz IHIXBMNFLUVWER-RYUDHWBXSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCSC1 ZINC000595048978 347269583 /nfs/dbraw/zinc/26/95/83/347269583.db2.gz IHTWKHZIWVGBPE-GHMZBOCLSA-N 1 0 296.392 3.007 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000595052623 347270121 /nfs/dbraw/zinc/27/01/21/347270121.db2.gz YYFVCZCYFJOLLP-OUJBWJOFSA-N 1 0 296.392 3.006 20 5 CGBDRO CC(C)(F)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595086577 347279922 /nfs/dbraw/zinc/27/99/22/347279922.db2.gz LPAIDNLENKROAD-NWDGAFQWSA-N 1 0 298.362 3.003 20 5 CGBDRO CCCC[C@@H]1CCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595430525 347303124 /nfs/dbraw/zinc/30/31/24/347303124.db2.gz VQEHQPYVQWDQEP-NEPJUHHUSA-N 1 0 281.356 3.340 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000595542840 347317508 /nfs/dbraw/zinc/31/75/08/347317508.db2.gz PHXDWZKWRQIRFL-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1c(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000595566157 347320466 /nfs/dbraw/zinc/32/04/66/347320466.db2.gz LVZWYFYPIHASRI-ZFWWWQNUSA-N 1 0 260.337 3.278 20 5 CGBDRO CC(C)CC1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595831771 347362711 /nfs/dbraw/zinc/36/27/11/347362711.db2.gz SCJOGJRJDQZYBN-UHFFFAOYSA-N 1 0 266.316 3.402 20 5 CGBDRO CCCCC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000595871558 347369228 /nfs/dbraw/zinc/36/92/28/347369228.db2.gz OZLPAHLBZCGNIK-AWEZNQCLSA-N 1 0 294.399 3.226 20 5 CGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCCC1 ZINC000596057146 347378138 /nfs/dbraw/zinc/37/81/38/347378138.db2.gz HRDQZHUNTOSYSR-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO CCC[NH+]1CCC(Nc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596063150 347379024 /nfs/dbraw/zinc/37/90/24/347379024.db2.gz YTMDWUXYNDVYTF-UHFFFAOYSA-N 1 0 283.397 3.251 20 5 CGBDRO O=[N+]([O-])c1ccccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596570040 347480986 /nfs/dbraw/zinc/48/09/86/347480986.db2.gz HNYIJTNUTQYLFQ-CQSZACIVSA-N 1 0 289.379 3.129 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000597221552 347556509 /nfs/dbraw/zinc/55/65/09/347556509.db2.gz RCQRQPXAWRINOK-OEYIWLLWSA-N 1 0 274.364 3.304 20 5 CGBDRO CC1(c2ccccc2)C[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598676447 347677873 /nfs/dbraw/zinc/67/78/73/347677873.db2.gz HPPMFWDSCWZRBX-UHFFFAOYSA-N 1 0 282.343 3.368 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CC=CCC2)cc1 ZINC000599001619 347705678 /nfs/dbraw/zinc/70/56/78/347705678.db2.gz VNVAHIIECUXXHY-CYBMUJFWSA-N 1 0 260.337 3.431 20 5 CGBDRO C[C@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599511632 347749587 /nfs/dbraw/zinc/74/95/87/347749587.db2.gz BKLOMQXRHDNUDO-RYUDHWBXSA-N 1 0 298.333 3.360 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@]1(C)CCCS1 ZINC000600160463 347786073 /nfs/dbraw/zinc/78/60/73/347786073.db2.gz SMMOETAGFHWOEL-HNNXBMFYSA-N 1 0 294.420 3.355 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000601289097 347889325 /nfs/dbraw/zinc/88/93/25/347889325.db2.gz IAAHJHCYJZHUPS-ZFWWWQNUSA-N 1 0 294.395 3.057 20 5 CGBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000601216709 347881509 /nfs/dbraw/zinc/88/15/09/347881509.db2.gz VRWHLGDRXYMMLF-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO [NH3+]C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc21 ZINC000601965172 347930880 /nfs/dbraw/zinc/93/08/80/347930880.db2.gz VYINKKBFOCGIPY-CQSZACIVSA-N 1 0 297.358 3.047 20 5 CGBDRO CC(C)[N@H+](C)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602430195 347956414 /nfs/dbraw/zinc/95/64/14/347956414.db2.gz WSACPJDOSRMIAB-UHFFFAOYSA-N 1 0 276.258 3.454 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC[C@H]2CCO2)C2CC2)cc1 ZINC000602438227 347958461 /nfs/dbraw/zinc/95/84/61/347958461.db2.gz CKHGSHCALCOOPY-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO CC(C)C[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602571326 347984777 /nfs/dbraw/zinc/98/47/77/347984777.db2.gz JXAKNWGUZRKMEE-JTQLQIEISA-N 1 0 277.324 3.260 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CC(CC(F)(F)F)C2)cc1 ZINC000602687773 348009804 /nfs/dbraw/zinc/00/98/04/348009804.db2.gz BPZXSVQCVGMOMD-UHFFFAOYSA-N 1 0 288.269 3.022 20 5 CGBDRO CC[C@@]1(O)CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983407 348052418 /nfs/dbraw/zinc/05/24/18/348052418.db2.gz JRVWIAQQHGRFCD-XJKSGUPXSA-N 1 0 292.379 3.201 20 5 CGBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857217 348099225 /nfs/dbraw/zinc/09/92/25/348099225.db2.gz DZXPTPJUWIUMKC-GXTWGEPZSA-N 1 0 291.395 3.436 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609595611 348348606 /nfs/dbraw/zinc/34/86/06/348348606.db2.gz VSPIQIXVZLJJMA-LLVKDONJSA-N 1 0 283.397 3.333 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1C2CCCC1CCC2 ZINC000610369978 348379790 /nfs/dbraw/zinc/37/97/90/348379790.db2.gz IMJOARSFVLZXJW-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000610717455 348398759 /nfs/dbraw/zinc/39/87/59/348398759.db2.gz UIEUXOHBNSUNSQ-OAHLLOKOSA-N 1 0 292.379 3.280 20 5 CGBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1F ZINC000611800095 348476727 /nfs/dbraw/zinc/47/67/27/348476727.db2.gz MBAOIPPRHNDYMO-TVQRCGJNSA-N 1 0 286.734 3.428 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCc2c1cccc2O ZINC000612610326 348534182 /nfs/dbraw/zinc/53/41/82/348534182.db2.gz XPBAUMXQCRAQHZ-MRXNPFEDSA-N 1 0 298.342 3.386 20 5 CGBDRO Cc1ccc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])nc1 ZINC000616152138 348791727 /nfs/dbraw/zinc/79/17/27/348791727.db2.gz VIMYZPCWYSNNBN-ALCCZGGFSA-N 1 0 297.358 3.443 20 5 CGBDRO O=[N+]([O-])c1sccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000617976639 349032093 /nfs/dbraw/zinc/03/20/93/349032093.db2.gz FVIWBAUOZBCISI-NSHDSACASA-N 1 0 281.381 3.085 20 5 CGBDRO CC1CC([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618571953 349108632 /nfs/dbraw/zinc/10/86/32/349108632.db2.gz YVUISFBNYPNDLL-QHAMSDLMSA-N 1 0 260.337 3.360 20 5 CGBDRO CC[NH+](CC)CCCNc1ccc(C)cc1[N+](=O)[O-] ZINC000037401074 137881614 /nfs/dbraw/zinc/88/16/14/137881614.db2.gz VDDYSXOCEUZTFN-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccc3c[nH]nc3c2)cccc1[N+](=O)[O-] ZINC000359790489 233376347 /nfs/dbraw/zinc/37/63/47/233376347.db2.gz CFOWOOLYCOWLPW-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000123264506 187081163 /nfs/dbraw/zinc/08/11/63/187081163.db2.gz URHGLIUCNSAVGP-NXEZZACHSA-N 1 0 252.289 3.107 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000152456679 188020896 /nfs/dbraw/zinc/02/08/96/188020896.db2.gz GKPNIUVDMLJJHU-UONOGXRCSA-N 1 0 294.395 3.353 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000152886918 188050892 /nfs/dbraw/zinc/05/08/92/188050892.db2.gz NCTNCCLYUXICCA-HUBLWGQQSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1cccc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000051669007 137916081 /nfs/dbraw/zinc/91/60/81/137916081.db2.gz DAFYORJPMPRGRW-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cncs2)cc1[N+](=O)[O-] ZINC000411469405 235058754 /nfs/dbraw/zinc/05/87/54/235058754.db2.gz ADJPCYURKSNCBS-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000414349468 235394081 /nfs/dbraw/zinc/39/40/81/235394081.db2.gz YAGOFLITDCIRBO-ZLKJLUDKSA-N 1 0 272.304 3.395 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)cccc1[N+](=O)[O-] ZINC000414291245 235380512 /nfs/dbraw/zinc/38/05/12/235380512.db2.gz XPNYQZCWVOBOAF-DEQVHRJGSA-N 1 0 292.379 3.367 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000107829706 138358810 /nfs/dbraw/zinc/35/88/10/138358810.db2.gz FTMRZTHFYRGUOM-WDEREUQCSA-N 1 0 295.770 3.287 20 5 CGBDRO Cc1ccccc1CC[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000111158374 138363946 /nfs/dbraw/zinc/36/39/46/138363946.db2.gz GDCOTCYMXPRFNU-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC2 ZINC000424334175 236152411 /nfs/dbraw/zinc/15/24/11/236152411.db2.gz YSKBZRKJSUEKNB-BXUZGUMPSA-N 1 0 260.337 3.058 20 5 CGBDRO CO[C@@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)C1CC1 ZINC000425411642 236244873 /nfs/dbraw/zinc/24/48/73/236244873.db2.gz YWTTVVRXIYRBIT-INIZCTEOSA-N 1 0 292.379 3.230 20 5 CGBDRO CC[C@H]([NH2+]CC[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297227336 200120108 /nfs/dbraw/zinc/12/01/08/200120108.db2.gz HQPCKAHACBTHLL-DOMZBBRYSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@H]([NH2+]CCSC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178419773 189114968 /nfs/dbraw/zinc/11/49/68/189114968.db2.gz SYPYRWWFDOEMHJ-MRVPVSSYSA-N 1 0 294.298 3.498 20 5 CGBDRO CC[C@H](C)[NH+]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000451819805 240366245 /nfs/dbraw/zinc/36/62/45/240366245.db2.gz BMXHISSYWAVGDQ-UONOGXRCSA-N 1 0 291.395 3.072 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccc3[nH]ccc3c2)cc1 ZINC000441195846 238381235 /nfs/dbraw/zinc/38/12/35/238381235.db2.gz BYVUNMXIZGDTDP-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CC[C@@H]([NH2+]CCOC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181532541 189299907 /nfs/dbraw/zinc/29/99/07/189299907.db2.gz ITWCCYVHBZQSGL-CQSZACIVSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000301562754 201068480 /nfs/dbraw/zinc/06/84/80/201068480.db2.gz LAPQBTWWIURGCR-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000301629540 201106157 /nfs/dbraw/zinc/10/61/57/201106157.db2.gz IEFXIXNAZHPOGP-LBPRGKRZSA-N 1 0 279.384 3.291 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301606009 201093747 /nfs/dbraw/zinc/09/37/47/201093747.db2.gz YNPJEHLIUVCLKD-NEPJUHHUSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C(C)(C)C[NH+](C)C ZINC000301657446 201118722 /nfs/dbraw/zinc/11/87/22/201118722.db2.gz VVBYKEGGIOOSSE-GFCCVEGCSA-N 1 0 279.384 3.291 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(NCCC[NH+]2CCCCC2)c(F)c1 ZINC000301811223 201212975 /nfs/dbraw/zinc/21/29/75/201212975.db2.gz XXMSFVQXBLKZHF-UHFFFAOYSA-N 1 0 299.321 3.161 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2sccc2[N+](=O)[O-])C1 ZINC000301986638 201289233 /nfs/dbraw/zinc/28/92/33/201289233.db2.gz KHMHXCACKHBUOT-NSHDSACASA-N 1 0 283.397 3.189 20 5 CGBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000119764135 370706694 /nfs/dbraw/zinc/70/66/94/370706694.db2.gz YCKUGQUYOSCHMX-UHFFFAOYSA-N 1 0 278.352 3.237 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2=CCCC2)cs1 ZINC000120134774 370741073 /nfs/dbraw/zinc/74/10/73/370741073.db2.gz GPNRXHVXFHWKBD-UHFFFAOYSA-N 1 0 252.339 3.246 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(C3CCCC3)C2)cc1 ZINC000459609251 242145874 /nfs/dbraw/zinc/14/58/74/242145874.db2.gz JEDJEBSNBIONNE-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1(C2CCC2)CCC1 ZINC000459755049 242213240 /nfs/dbraw/zinc/21/32/40/242213240.db2.gz NFTCHCAEUVWGGR-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)C ZINC000463374324 242396336 /nfs/dbraw/zinc/39/63/36/242396336.db2.gz HOFYKCLVQQUGFO-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404993 243193580 /nfs/dbraw/zinc/19/35/80/243193580.db2.gz SNTHYFNNWAPWLY-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000483142193 243261287 /nfs/dbraw/zinc/26/12/87/243261287.db2.gz URETXJFGZAVLRZ-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@@H](NCCC[NH+]1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000020128893 296122797 /nfs/dbraw/zinc/12/27/97/296122797.db2.gz XSIYLDCTDIONSJ-CQSZACIVSA-N 1 0 291.395 3.121 20 5 CGBDRO COc1cc(CN2CCC(C)=C(C)C2)c([N+](=O)[O-])cc1F ZINC000483378751 243279651 /nfs/dbraw/zinc/27/96/51/243279651.db2.gz ZQLVJLQGUWFKKZ-UHFFFAOYSA-N 1 0 294.326 3.285 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc1 ZINC000020088459 368799531 /nfs/dbraw/zinc/79/95/31/368799531.db2.gz ATYBFKJDRLHJBD-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C3CC3)o2)cc1 ZINC000036819308 369029837 /nfs/dbraw/zinc/02/98/37/369029837.db2.gz MDSMKJFNYPXILK-UHFFFAOYSA-N 1 0 258.277 3.107 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037255083 369079241 /nfs/dbraw/zinc/07/92/41/369079241.db2.gz ZYFLXJGVGBYRAL-YPMHNXCESA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000037010370 369050407 /nfs/dbraw/zinc/05/04/07/369050407.db2.gz KBUIAAATLDPUQL-AWEZNQCLSA-N 1 0 260.293 3.429 20 5 CGBDRO CC[C@@H]([NH2+]CCCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000037010553 369051866 /nfs/dbraw/zinc/05/18/66/369051866.db2.gz ZTHFHPCBFUXNPB-MRXNPFEDSA-N 1 0 292.379 3.452 20 5 CGBDRO CCc1ncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037924720 369126455 /nfs/dbraw/zinc/12/64/55/369126455.db2.gz VMFJMXOHTCLQPJ-JTQLQIEISA-N 1 0 291.376 3.465 20 5 CGBDRO CCOc1cc(C[N@H+](CC)C(C)C)ccc1[N+](=O)[O-] ZINC000492661009 244004368 /nfs/dbraw/zinc/00/43/68/244004368.db2.gz ZMHJSUZZCPBPTD-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000492821635 244030891 /nfs/dbraw/zinc/03/08/91/244030891.db2.gz ZJQIYUOVDMRSQN-KBPBESRZSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000494955973 244335312 /nfs/dbraw/zinc/33/53/12/244335312.db2.gz CXFMBYBRSGSASH-GIPNMCIBSA-N 1 0 282.771 3.425 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccncc2)cc1[N+](=O)[O-] ZINC000048261600 369338984 /nfs/dbraw/zinc/33/89/84/369338984.db2.gz VSXWPZNVQLCAJZ-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163627 369430963 /nfs/dbraw/zinc/43/09/63/369430963.db2.gz XUFUJUSZBUXOCK-UWVGGRQHSA-N 1 0 283.759 3.048 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1NCC[NH+]1CCCCC1 ZINC000050352223 369437317 /nfs/dbraw/zinc/43/73/17/369437317.db2.gz XPXHCVDOPJONGZ-UHFFFAOYSA-N 1 0 283.759 3.146 20 5 CGBDRO CC(C)[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350572 369652819 /nfs/dbraw/zinc/65/28/19/369652819.db2.gz YGNLEVSTNAVQMK-UHFFFAOYSA-N 1 0 299.374 3.443 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000343988378 217005371 /nfs/dbraw/zinc/00/53/71/217005371.db2.gz WSUMCACRTOLFRF-AWEZNQCLSA-N 1 0 277.368 3.190 20 5 CGBDRO CC(C)C[C@@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331700088 204086746 /nfs/dbraw/zinc/08/67/46/204086746.db2.gz ZFJVCXPJPJQVIC-ZDUSSCGKSA-N 1 0 294.399 3.119 20 5 CGBDRO CC(C)SCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000287031136 371593363 /nfs/dbraw/zinc/59/33/63/371593363.db2.gz LUULWZHIIZYONB-NSHDSACASA-N 1 0 268.382 3.387 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421849994 371672266 /nfs/dbraw/zinc/67/22/66/371672266.db2.gz CKKCCUOIPMAFQU-OSAQELSMSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000151707418 371627679 /nfs/dbraw/zinc/62/76/79/371627679.db2.gz NHNRPLDJPAMHEM-DZGCQCFKSA-N 1 0 291.395 3.120 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CC=CCC1 ZINC000344060904 217033118 /nfs/dbraw/zinc/03/31/18/217033118.db2.gz MMHROCDGCZMBHI-ZDUSSCGKSA-N 1 0 290.363 3.392 20 5 CGBDRO CC[C@H](C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000290247946 371946414 /nfs/dbraw/zinc/94/64/14/371946414.db2.gz TWYPAVWSXHRUML-ZIAGYGMSSA-N 1 0 266.341 3.061 20 5 CGBDRO Cc1c([C@H](C)NCC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000423188402 372015143 /nfs/dbraw/zinc/01/51/43/372015143.db2.gz YYFKTAADHRQRMP-ZDUSSCGKSA-N 1 0 291.395 3.215 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290525740 372009295 /nfs/dbraw/zinc/00/92/95/372009295.db2.gz ZEACTYUAVYBIPK-LBPRGKRZSA-N 1 0 280.368 3.308 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)c1 ZINC000290531011 372010540 /nfs/dbraw/zinc/01/05/40/372010540.db2.gz QSACSUYYODSAER-GVDBMIGSSA-N 1 0 280.327 3.023 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000290538029 372012047 /nfs/dbraw/zinc/01/20/47/372012047.db2.gz RCNJVXTYZSHYGE-USXIJHARSA-N 1 0 280.327 3.023 20 5 CGBDRO CCN1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000159292523 372127171 /nfs/dbraw/zinc/12/71/71/372127171.db2.gz MCCGAJFIHNHAGM-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+](C2CCC2)C2CCC2)cc1 ZINC000429166357 372320528 /nfs/dbraw/zinc/32/05/28/372320528.db2.gz IFRFSXLKLLLBSM-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCCS1 ZINC000344331823 217155790 /nfs/dbraw/zinc/15/57/90/217155790.db2.gz BINJZNCKYFILOA-DYLGSBMWSA-N 1 0 292.404 3.483 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1CCOCC1 ZINC000344367283 217170026 /nfs/dbraw/zinc/17/00/26/217170026.db2.gz ZXQBADNCEVABLM-HYXAFXHYSA-N 1 0 290.363 3.014 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000433794445 372633681 /nfs/dbraw/zinc/63/36/81/372633681.db2.gz YCHOZPJJJZJFED-OAHLLOKOSA-N 1 0 275.352 3.024 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCCCO ZINC000435058188 372731860 /nfs/dbraw/zinc/73/18/60/372731860.db2.gz TUVPIMGDWDLWEI-KAMYIIQDSA-N 1 0 292.379 3.093 20 5 CGBDRO CC(C)c1ccc(C[NH2+]Cc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000344608486 217247120 /nfs/dbraw/zinc/24/71/20/217247120.db2.gz YBSJRCMYFSNHBO-UHFFFAOYSA-N 1 0 287.363 3.347 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295497941 372803442 /nfs/dbraw/zinc/80/34/42/372803442.db2.gz NQSMOQXOGZBUPW-STQMWFEESA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCSC1 ZINC000344727298 217289507 /nfs/dbraw/zinc/28/95/07/217289507.db2.gz TVIVFVPOQOLXKJ-ACVFHECNSA-N 1 0 278.377 3.093 20 5 CGBDRO CC(C)C1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000441487960 373020347 /nfs/dbraw/zinc/02/03/47/373020347.db2.gz PYUCGDRBARZBCA-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccn1 ZINC000344859576 217336607 /nfs/dbraw/zinc/33/66/07/217336607.db2.gz PDHZPWYFXHLAGX-SDNWHVSQSA-N 1 0 297.358 3.225 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173424692 373140694 /nfs/dbraw/zinc/14/06/94/373140694.db2.gz BGLZVKLUZNQKNM-RISCZKNCSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)=CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601065 373463413 /nfs/dbraw/zinc/46/34/13/373463413.db2.gz NXAKVAVXWNDFPS-KBPBESRZSA-N 1 0 292.383 3.221 20 5 CGBDRO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000301100868 373661037 /nfs/dbraw/zinc/66/10/37/373661037.db2.gz ONFAEXYHCBTDMF-NWDGAFQWSA-N 1 0 295.358 3.266 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000177200625 373662563 /nfs/dbraw/zinc/66/25/63/373662563.db2.gz CKXYSBIBAHAPKK-GJZGRUSLSA-N 1 0 292.404 3.455 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cn1 ZINC000301133213 373672606 /nfs/dbraw/zinc/67/26/06/373672606.db2.gz VDTWADIREFRPJQ-ZDUSSCGKSA-N 1 0 292.383 3.056 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2cccc(C)c2[N+](=O)[O-])C1 ZINC000302524418 373887023 /nfs/dbraw/zinc/88/70/23/373887023.db2.gz ZHXGLUZUVUUZEQ-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000449759992 373888242 /nfs/dbraw/zinc/88/82/42/373888242.db2.gz LCXAIFUNNZPLJI-HUUCEWRRSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC(C)(C)[NH+](C)C ZINC000302797224 373967029 /nfs/dbraw/zinc/96/70/29/373967029.db2.gz AKZIVXLCTMVMFU-UHFFFAOYSA-N 1 0 285.775 3.309 20 5 CGBDRO CCC[NH+](CCC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000302810875 373968730 /nfs/dbraw/zinc/96/87/30/373968730.db2.gz MSAGMIUDVJOUKY-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO CC[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181523267 374134919 /nfs/dbraw/zinc/13/49/19/374134919.db2.gz DQFRQHFGCMTOBX-ZFWWWQNUSA-N 1 0 294.395 3.433 20 5 CGBDRO CC(C)(C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000308659727 374173538 /nfs/dbraw/zinc/17/35/38/374173538.db2.gz UWVBGDLPUHVEQJ-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311706019 374253085 /nfs/dbraw/zinc/25/30/85/374253085.db2.gz MVJNOEFLHNXFPU-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO CC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000311892580 374258937 /nfs/dbraw/zinc/25/89/37/374258937.db2.gz DKTCZHJKMSGWOD-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182204216 374234568 /nfs/dbraw/zinc/23/45/68/374234568.db2.gz BUUXATIPHLCIRM-SECBINFHSA-N 1 0 254.717 3.233 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCC[C@@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314187619 374313876 /nfs/dbraw/zinc/31/38/76/374313876.db2.gz NRXACKKYOPQXQZ-INWMFGNUSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000183355431 374406195 /nfs/dbraw/zinc/40/61/95/374406195.db2.gz SBPLQHWBJZXDRS-NWDGAFQWSA-N 1 0 280.393 3.229 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331475150 374535387 /nfs/dbraw/zinc/53/53/87/374535387.db2.gz LESDWCVFQDSZFX-CQSZACIVSA-N 1 0 288.351 3.092 20 5 CGBDRO CC(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000185239488 374618289 /nfs/dbraw/zinc/61/82/89/374618289.db2.gz AMQQIZQUVIEQFR-HUUCEWRRSA-N 1 0 292.379 3.277 20 5 CGBDRO CCc1cccnc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000507459718 375703922 /nfs/dbraw/zinc/70/39/22/375703922.db2.gz GUTJFAVREDIFLE-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO O=[N+]([O-])c1cnc(NCCCCC[NH+]2CCCCC2)s1 ZINC000192453365 375751320 /nfs/dbraw/zinc/75/13/20/375751320.db2.gz USFJNZIFZOHIIZ-UHFFFAOYSA-N 1 0 298.412 3.119 20 5 CGBDRO C[NH+](C)C1(CNc2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000336841715 376003078 /nfs/dbraw/zinc/00/30/78/376003078.db2.gz SDWQVOVUZVLTDJ-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000227888484 376417248 /nfs/dbraw/zinc/41/72/48/376417248.db2.gz MRVILEBUJKPNQF-JTQLQIEISA-N 1 0 299.321 3.017 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000540395227 376372763 /nfs/dbraw/zinc/37/27/63/376372763.db2.gz RPSMBWQVCBBYDI-WFASDCNBSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000227550105 376399151 /nfs/dbraw/zinc/39/91/51/376399151.db2.gz LYGZMNJGYQYNTQ-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](CC3CC3)C2)c(F)c1 ZINC000339683631 376809799 /nfs/dbraw/zinc/80/97/99/376809799.db2.gz NXAUDAMDYHCQST-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO CCN1CCCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000245469607 376825904 /nfs/dbraw/zinc/82/59/04/376825904.db2.gz VIOGIHQMPFVFOD-CJNGLKHVSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000090918503 249029582 /nfs/dbraw/zinc/02/95/82/249029582.db2.gz TYRCSTGHWAFXJA-NHYWBVRUSA-N 1 0 288.351 3.130 20 5 CGBDRO CCOc1cc(NCC[N@H+](C)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000092642878 249034599 /nfs/dbraw/zinc/03/45/99/249034599.db2.gz YKCGAXNURMYWRB-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO CC(C)C[C@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+](C)C ZINC000341421944 377558459 /nfs/dbraw/zinc/55/84/59/377558459.db2.gz WSVNCANCTUTAGE-LLVKDONJSA-N 1 0 283.347 3.122 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341474144 377580972 /nfs/dbraw/zinc/58/09/72/377580972.db2.gz BGCHRIACVHQKIB-VIFPVBQESA-N 1 0 254.717 3.090 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000515422644 249211206 /nfs/dbraw/zinc/21/12/06/249211206.db2.gz DMBXQIQRZHUONF-HSMVNMDESA-N 1 0 292.379 3.367 20 5 CGBDRO CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000517607658 249267946 /nfs/dbraw/zinc/26/79/46/249267946.db2.gz VGPGHNSGEUWIRR-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CC(C)(C)O ZINC000519084885 249292433 /nfs/dbraw/zinc/29/24/33/249292433.db2.gz QBQGMWCZYNIIMC-RYUDHWBXSA-N 1 0 280.368 3.103 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000252040265 377612690 /nfs/dbraw/zinc/61/26/90/377612690.db2.gz ZJEGICGRQLKHOE-LALPHHSUSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)CC ZINC000575325742 377878956 /nfs/dbraw/zinc/87/89/56/377878956.db2.gz AYUCPWRVQNFMRC-GLQYFDAESA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1c(CN2CC[NH2+]Cc3ccccc32)cccc1[N+](=O)[O-] ZINC000261836894 377859180 /nfs/dbraw/zinc/85/91/80/377859180.db2.gz CBTGPJUNRTXWSA-UHFFFAOYSA-N 1 0 297.358 3.013 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000268914196 378151430 /nfs/dbraw/zinc/15/14/30/378151430.db2.gz IMGDYESSVBOSDR-HUUCEWRRSA-N 1 0 280.368 3.307 20 5 CGBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000269639660 378247398 /nfs/dbraw/zinc/24/73/98/378247398.db2.gz IOIRFPCBIQWFAC-MRXNPFEDSA-N 1 0 292.379 3.281 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584480270 378388210 /nfs/dbraw/zinc/38/82/10/378388210.db2.gz VTHGJVXKDQQARK-SMDDNHRTSA-N 1 0 290.363 3.129 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](C)C1 ZINC000347585380 218281642 /nfs/dbraw/zinc/28/16/42/218281642.db2.gz UEWKONNRLGMQGT-NWDGAFQWSA-N 1 0 278.352 3.081 20 5 CGBDRO CC(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000349840580 379416382 /nfs/dbraw/zinc/41/63/82/379416382.db2.gz RGQJAQHQBOOZKS-UHFFFAOYSA-N 1 0 288.294 3.284 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000267012073 190297366 /nfs/dbraw/zinc/29/73/66/190297366.db2.gz NAKQBTCEJMRULL-SNVBAGLBSA-N 1 0 286.372 3.307 20 5 CGBDRO Cc1ccc(C[N@H+]2CCCC[C@@H]2C[C@H](C)O)cc1[N+](=O)[O-] ZINC000280621017 379748236 /nfs/dbraw/zinc/74/82/36/379748236.db2.gz ZUAIVHHKXOYURI-DZGCQCFKSA-N 1 0 292.379 3.029 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541614 379851279 /nfs/dbraw/zinc/85/12/79/379851279.db2.gz ZYOGEEZBDBGLRM-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352426180 379811332 /nfs/dbraw/zinc/81/13/32/379811332.db2.gz RHKVJZCBELAVAC-NSHDSACASA-N 1 0 266.341 3.081 20 5 CGBDRO CCC(C)(C)CC[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000347779608 218354193 /nfs/dbraw/zinc/35/41/93/218354193.db2.gz FLSCCOXIRZNEEI-UHFFFAOYSA-N 1 0 277.368 3.174 20 5 CGBDRO CC(C)SCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000283028999 380026634 /nfs/dbraw/zinc/02/66/34/380026634.db2.gz HKZKPNFZRZNUBM-NSHDSACASA-N 1 0 268.382 3.387 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(C(F)(F)F)CC1 ZINC000353036783 380087546 /nfs/dbraw/zinc/08/75/46/380087546.db2.gz SUNDYMLEFLHDAY-UHFFFAOYSA-N 1 0 274.242 3.027 20 5 CGBDRO COCC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000414483484 380260871 /nfs/dbraw/zinc/26/08/71/380260871.db2.gz OLAXAALBEVXOFE-JTQLQIEISA-N 1 0 286.759 3.010 20 5 CGBDRO CSC1(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000348041662 218434808 /nfs/dbraw/zinc/43/48/08/218434808.db2.gz MPFOYCQHSLFQRP-UHFFFAOYSA-N 1 0 294.420 3.403 20 5 CGBDRO CCC[C@H](O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311681 380589372 /nfs/dbraw/zinc/58/93/72/380589372.db2.gz MHZUVNZZQRYWBX-GOEBONIOSA-N 1 0 292.379 3.113 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000417339823 380598181 /nfs/dbraw/zinc/59/81/81/380598181.db2.gz OMQGPLHWPWLYSC-RYUDHWBXSA-N 1 0 260.337 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)C2CCC2)cc1 ZINC000355736977 380764651 /nfs/dbraw/zinc/76/46/51/380764651.db2.gz VGXFCMXDEZTZPL-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO CC(C)CC[NH+](CCC(C)C)Cc1c([N+](=O)[O-])ncn1C ZINC000355786464 380778656 /nfs/dbraw/zinc/77/86/56/380778656.db2.gz MMGNLTDMLQPRKC-UHFFFAOYSA-N 1 0 296.415 3.223 20 5 CGBDRO CO[C@@H](CC(C)C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000419269736 380791712 /nfs/dbraw/zinc/79/17/12/380791712.db2.gz PFYHZLXYBJPOFA-HNNXBMFYSA-N 1 0 294.395 3.130 20 5 CGBDRO CC[C@@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984929 380971903 /nfs/dbraw/zinc/97/19/03/380971903.db2.gz ILLPAXLGSLUMBG-DZGCQCFKSA-N 1 0 292.379 3.232 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@]2(C)CCCOC2)cc1[N+](=O)[O-] ZINC000357358934 381124785 /nfs/dbraw/zinc/12/47/85/381124785.db2.gz UHXJRCSEQSSQAS-MRXNPFEDSA-N 1 0 292.379 3.377 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558001 381209715 /nfs/dbraw/zinc/20/97/15/381209715.db2.gz ZLBLECOKUKCUJW-GHMZBOCLSA-N 1 0 266.316 3.497 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000361629513 381847285 /nfs/dbraw/zinc/84/72/85/381847285.db2.gz KTPGENLZZZFUPP-HIFRSBDPSA-N 1 0 292.379 3.232 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c1 ZINC000281637154 195317288 /nfs/dbraw/zinc/31/72/88/195317288.db2.gz MDCDXPRQTFVOTR-LLVKDONJSA-N 1 0 270.279 3.120 20 5 CGBDRO CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000191638688 130268067 /nfs/dbraw/zinc/26/80/67/130268067.db2.gz YKPPTWMPOHSKLP-CQSZACIVSA-N 1 0 298.408 3.029 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCc3ccccc3C2)c1 ZINC000048436726 392000093 /nfs/dbraw/zinc/00/00/93/392000093.db2.gz PEYXWIHPOGQOMS-INIZCTEOSA-N 1 0 282.343 3.242 20 5 CGBDRO CSC1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000193827877 130654262 /nfs/dbraw/zinc/65/42/62/130654262.db2.gz BIDSSTLCBQRNAY-GFCCVEGCSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@@H](c1cccc(O)c1)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000109781134 392372506 /nfs/dbraw/zinc/37/25/06/392372506.db2.gz ORGZPFZNJFVHEQ-LBPRGKRZSA-N 1 0 286.331 3.493 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000287495458 392401027 /nfs/dbraw/zinc/40/10/27/392401027.db2.gz YCRDFVWGKZTYDX-NHYWBVRUSA-N 1 0 290.363 3.086 20 5 CGBDRO Cc1cc(N[C@H](C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000136405521 392477401 /nfs/dbraw/zinc/47/74/01/392477401.db2.gz QTGWFTURGBFXNP-KOLCDFICSA-N 1 0 289.335 3.023 20 5 CGBDRO Cc1cc(OCC[NH+]2CCCCC2)c(Cl)cc1[N+](=O)[O-] ZINC000506431008 392724980 /nfs/dbraw/zinc/72/49/80/392724980.db2.gz FQUIONSMPUVDLR-UHFFFAOYSA-N 1 0 298.770 3.421 20 5 CGBDRO CCC[C@@H](C)N(C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509277356 392741456 /nfs/dbraw/zinc/74/14/56/392741456.db2.gz AVVGEUIGFCLVJW-SECBINFHSA-N 1 0 272.295 3.493 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCCNc1ncc([N+](=O)[O-])s1 ZINC000195509057 392969630 /nfs/dbraw/zinc/96/96/30/392969630.db2.gz GOLRFJFRYAQFKG-NSHDSACASA-N 1 0 298.412 3.118 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCc2ccncc2)cccc1[N+](=O)[O-] ZINC000268976143 393212689 /nfs/dbraw/zinc/21/26/89/393212689.db2.gz AYNNNTWHHXMKOO-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000475154444 393378249 /nfs/dbraw/zinc/37/82/49/393378249.db2.gz QIVSLWHYMJLNOJ-AAEUAGOBSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000430203978 393539065 /nfs/dbraw/zinc/53/90/65/393539065.db2.gz QDHQBWAAWDZPFX-CYBMUJFWSA-N 1 0 292.379 3.471 20 5 CGBDRO COc1cc(C[N@H+]2CC(C)=C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430285998 393560579 /nfs/dbraw/zinc/56/05/79/393560579.db2.gz WDDFTUZZZPVATE-LLVKDONJSA-N 1 0 276.336 3.001 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421044225 393586717 /nfs/dbraw/zinc/58/67/17/393586717.db2.gz SBROKNZNCAVUII-UONOGXRCSA-N 1 0 292.379 3.140 20 5 CGBDRO CCC[C@H]([NH2+]CCC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000432408590 393609987 /nfs/dbraw/zinc/60/99/87/393609987.db2.gz CHCZMXJMSWRQKS-MOQPWLNLSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccoc1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000491512047 393693918 /nfs/dbraw/zinc/69/39/18/393693918.db2.gz LIYBERQXMQOLBN-XQRVVYSFSA-N 1 0 272.304 3.299 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492626697 393764614 /nfs/dbraw/zinc/76/46/14/393764614.db2.gz BKTSOVAJLRXITL-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO Cc1cnc([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449222492 393876944 /nfs/dbraw/zinc/87/69/44/393876944.db2.gz CTBZUKWOUMORBJ-JQWIXIFHSA-N 1 0 289.335 3.173 20 5 CGBDRO C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C ZINC000501775650 393860940 /nfs/dbraw/zinc/86/09/40/393860940.db2.gz MCKOAVPCNCYPAO-STQMWFEESA-N 1 0 262.353 3.115 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449637673 393931551 /nfs/dbraw/zinc/93/15/51/393931551.db2.gz HHNLLGCYALUDTI-HOCLYGCPSA-N 1 0 294.395 3.357 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000070306973 286988157 /nfs/dbraw/zinc/98/81/57/286988157.db2.gz ZREFTCCPONKLME-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO COC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000086701336 287083991 /nfs/dbraw/zinc/08/39/91/287083991.db2.gz OWTHMGNHDBIJJE-ZDUSSCGKSA-N 1 0 286.759 3.009 20 5 CGBDRO COCCC[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000092537227 165301724 /nfs/dbraw/zinc/30/17/24/165301724.db2.gz JMLOYDGBFDBXJX-UHFFFAOYSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC1([NH+](C)C)CCCC1 ZINC000118907314 287162106 /nfs/dbraw/zinc/16/21/06/287162106.db2.gz HISVURWDNAGNHX-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000020121827 171001431 /nfs/dbraw/zinc/00/14/31/171001431.db2.gz KNQOGBIEAXCCDF-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1ccc([C@H](C)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000020129208 171016868 /nfs/dbraw/zinc/01/68/68/171016868.db2.gz WGMGPEQRRXFLPM-AWEZNQCLSA-N 1 0 291.395 3.040 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000284859748 196146644 /nfs/dbraw/zinc/14/66/44/196146644.db2.gz DCNMLJZFQGSBEG-HZPDHXFCSA-N 1 0 290.363 3.047 20 5 CGBDRO CC1=CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000285316593 196249447 /nfs/dbraw/zinc/24/94/47/196249447.db2.gz SVHBHEFSYVHKOU-AWEZNQCLSA-N 1 0 260.337 3.226 20 5 CGBDRO CSC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000285325875 196251184 /nfs/dbraw/zinc/25/11/84/196251184.db2.gz UAHNXINRZSRZEM-SNVBAGLBSA-N 1 0 295.408 3.113 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000126570950 287268111 /nfs/dbraw/zinc/26/81/11/287268111.db2.gz DJWJXLHLUNPBDW-GFCCVEGCSA-N 1 0 298.408 3.047 20 5 CGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439493 196284742 /nfs/dbraw/zinc/28/47/42/196284742.db2.gz CUGAXYXOJCSLDB-AAEUAGOBSA-N 1 0 298.408 3.172 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000037255487 173066134 /nfs/dbraw/zinc/06/61/34/173066134.db2.gz ZEKXQNHYGAGAPA-LBPRGKRZSA-N 1 0 250.342 3.427 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420632 173197361 /nfs/dbraw/zinc/19/73/61/173197361.db2.gz ZDCPNSWKRGVKLW-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO CCOc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037505648 173240403 /nfs/dbraw/zinc/24/04/03/173240403.db2.gz FYEPQGNNJCXIES-UHFFFAOYSA-N 1 0 286.331 3.283 20 5 CGBDRO C[C@@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000038042148 174044522 /nfs/dbraw/zinc/04/45/22/174044522.db2.gz FZWNKMWXMCBKFY-LBPRGKRZSA-N 1 0 295.358 3.268 20 5 CGBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000071954213 176304653 /nfs/dbraw/zinc/30/46/53/176304653.db2.gz WFPBEVPQSHDGCR-OLZOCXBDSA-N 1 0 277.368 3.127 20 5 CGBDRO CCCC[N@H+](CC)[C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131786436 287389409 /nfs/dbraw/zinc/38/94/09/287389409.db2.gz VXBHDLRHLYMREW-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(OC3CCC3)CC2)cc1 ZINC000418099968 228048879 /nfs/dbraw/zinc/04/88/79/228048879.db2.gz QLXDXFIAVSCYQB-UHFFFAOYSA-N 1 0 290.363 3.128 20 5 CGBDRO CC(F)(F)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000390188273 262149448 /nfs/dbraw/zinc/14/94/48/262149448.db2.gz MHUDLVPNQNWUKB-UHFFFAOYSA-N 1 0 276.258 3.259 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000040624115 270029779 /nfs/dbraw/zinc/02/97/79/270029779.db2.gz DAGWFQAYMHKWLD-LLVKDONJSA-N 1 0 297.786 3.390 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184588615 270059257 /nfs/dbraw/zinc/05/92/57/270059257.db2.gz MBMTXWJQJUMFAJ-GWCFXTLKSA-N 1 0 266.316 3.402 20 5 CGBDRO CO[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CC(C)C ZINC000519609911 265496013 /nfs/dbraw/zinc/49/60/13/265496013.db2.gz JTUUBTRESLEFIC-WFASDCNBSA-N 1 0 292.379 3.233 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316091051 270092578 /nfs/dbraw/zinc/09/25/78/270092578.db2.gz BKCHSZRHYBDVBQ-HZPDHXFCSA-N 1 0 292.379 3.187 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000519796333 270097932 /nfs/dbraw/zinc/09/79/32/270097932.db2.gz XCLCGALQOGRCSK-ZIAGYGMSSA-N 1 0 293.411 3.366 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000524718920 270114308 /nfs/dbraw/zinc/11/43/08/270114308.db2.gz BUFQWDSGNNEUQU-INIZCTEOSA-N 1 0 294.395 3.479 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000530513345 270200726 /nfs/dbraw/zinc/20/07/26/270200726.db2.gz KYCMPKBDJOVQNH-CYBMUJFWSA-N 1 0 294.395 3.495 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532531341 270217167 /nfs/dbraw/zinc/21/71/67/270217167.db2.gz LZXQBKYEOKTWBT-MRVWCRGKSA-N 1 0 294.395 3.351 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433065608 273702570 /nfs/dbraw/zinc/70/25/70/273702570.db2.gz DDKOERXEGIVLFJ-NHYWBVRUSA-N 1 0 292.379 3.332 20 5 CGBDRO CC[C@H](C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417349890 273746698 /nfs/dbraw/zinc/74/66/98/273746698.db2.gz NEMGGJMXRYBIDK-ZBFHGGJFSA-N 1 0 292.379 3.377 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)[C@H](C)O ZINC000453335096 273753030 /nfs/dbraw/zinc/75/30/30/273753030.db2.gz XQVCGLKTTPXFLA-LKTVYLICSA-N 1 0 292.379 3.066 20 5 CGBDRO Cc1cc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)ccn1 ZINC000453298077 274697335 /nfs/dbraw/zinc/69/73/35/274697335.db2.gz UEHKKLFOVHQDHD-QGZVFWFLSA-N 1 0 297.358 3.465 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000330605971 275741158 /nfs/dbraw/zinc/74/11/58/275741158.db2.gz NAJYDWWWQLFXEE-TZMCWYRMSA-N 1 0 292.379 3.375 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C ZINC000274620478 276207004 /nfs/dbraw/zinc/20/70/04/276207004.db2.gz ROWDHTMMIGRJMZ-NSHDSACASA-N 1 0 293.367 3.008 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc(C)cc1[N+](=O)[O-] ZINC000090691963 276325979 /nfs/dbraw/zinc/32/59/79/276325979.db2.gz KMSIBJUXPGAGRB-ZDUSSCGKSA-N 1 0 294.399 3.221 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453330816 277288388 /nfs/dbraw/zinc/28/83/88/277288388.db2.gz SVOKXMUDHPJXGL-NJZAAPMLSA-N 1 0 278.352 3.121 20 5 CGBDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290022794 277325743 /nfs/dbraw/zinc/32/57/43/277325743.db2.gz CLKWIOOXHNXAQA-UEKVPHQBSA-N 1 0 292.379 3.330 20 5 CGBDRO COC[C@@H](C)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417341424 277560641 /nfs/dbraw/zinc/56/06/41/277560641.db2.gz NPEDQCSAPYCECH-LRDDRELGSA-N 1 0 292.379 3.234 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000268961358 277634000 /nfs/dbraw/zinc/63/40/00/277634000.db2.gz LHSWFRXFKYAJFU-OLZOCXBDSA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396518843 288013665 /nfs/dbraw/zinc/01/36/65/288013665.db2.gz BVNJZAXBNDYVPL-DGCLKSJQSA-N 1 0 278.352 3.121 20 5 CGBDRO CS[C@@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296052485 278146077 /nfs/dbraw/zinc/14/60/77/278146077.db2.gz AYZNAKCRDUBWFG-WCQYABFASA-N 1 0 280.393 3.402 20 5 CGBDRO C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449347460 278226188 /nfs/dbraw/zinc/22/61/88/278226188.db2.gz HNYKPLZNPGUTME-STQMWFEESA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000397777013 288030117 /nfs/dbraw/zinc/03/01/17/288030117.db2.gz TXGQXIITVAHRRN-DEQVHRJGSA-N 1 0 260.337 3.352 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C)CC1 ZINC000194063227 278303379 /nfs/dbraw/zinc/30/33/79/278303379.db2.gz SVPYUJZSKZTLOV-SNVBAGLBSA-N 1 0 293.323 3.123 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000287025384 278354583 /nfs/dbraw/zinc/35/45/83/278354583.db2.gz LKXSBJUYZRWILG-VXGBXAGGSA-N 1 0 280.393 3.389 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCOC1 ZINC000355362594 278364873 /nfs/dbraw/zinc/36/48/73/278364873.db2.gz JFQYMDMUOIDTAR-SCRDCRAPSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000479534836 278380026 /nfs/dbraw/zinc/38/00/26/278380026.db2.gz YEGAEIWIHFYBEH-OCCSQVGLSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000398210978 288040948 /nfs/dbraw/zinc/04/09/48/288040948.db2.gz FKONGURCSHPFNR-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449348708 279547052 /nfs/dbraw/zinc/54/70/52/279547052.db2.gz NNVYWVRMEQPRJN-LKTVYLICSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000090918473 280949377 /nfs/dbraw/zinc/94/93/77/280949377.db2.gz WFBUDMWMJYMCAS-LRDDRELGSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000246971874 280951742 /nfs/dbraw/zinc/95/17/42/280951742.db2.gz ILYGRKWYNCCGOA-WHOFXGATSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)o1 ZINC000538338622 288567847 /nfs/dbraw/zinc/56/78/47/288567847.db2.gz WPFFRMUPRVTFEQ-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO Cc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1[N+](=O)[O-] ZINC000548700258 289016540 /nfs/dbraw/zinc/01/65/40/289016540.db2.gz OWSXEMYBOOVINJ-UHFFFAOYSA-N 1 0 262.353 3.429 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H]1C ZINC000552320979 289181214 /nfs/dbraw/zinc/18/12/14/289181214.db2.gz IPLCAMCWJAPLLX-OUCADQQQSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCSC1 ZINC000159579799 321836529 /nfs/dbraw/zinc/83/65/29/321836529.db2.gz FCTDZDVTVADHDU-VXGBXAGGSA-N 1 0 280.393 3.449 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000565217233 322066726 /nfs/dbraw/zinc/06/67/26/322066726.db2.gz LCURQHXJSYMTQX-DZKIICNBSA-N 1 0 290.363 3.129 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000569120566 322235436 /nfs/dbraw/zinc/23/54/36/322235436.db2.gz ZRVKEINPAPAQQL-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000569427875 322246892 /nfs/dbraw/zinc/24/68/92/322246892.db2.gz RHYKSPTVLJYSBN-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCOCC1CCC1 ZINC000569870213 322259371 /nfs/dbraw/zinc/25/93/71/322259371.db2.gz SDFDIWLZDDUQHM-YWEYNIOJSA-N 1 0 290.363 3.014 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCS1 ZINC000570059304 322264005 /nfs/dbraw/zinc/26/40/05/322264005.db2.gz LRQIFTAWKVHVME-GXFFZTMASA-N 1 0 278.377 3.067 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)N[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000571441424 322298962 /nfs/dbraw/zinc/29/89/62/322298962.db2.gz XCLCGALQOGRCSK-KBPBESRZSA-N 1 0 293.411 3.366 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CC3(F)CC3)C2)cc1 ZINC000583064857 329309380 /nfs/dbraw/zinc/30/93/80/329309380.db2.gz UMQGIUSXDFXOBE-ZDUSSCGKSA-N 1 0 278.327 3.276 20 5 CGBDRO CCOC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000232349968 333336037 /nfs/dbraw/zinc/33/60/37/333336037.db2.gz HHPYJLPNBWHXIN-OCCSQVGLSA-N 1 0 280.368 3.307 20 5 CGBDRO COc1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000177514341 335373701 /nfs/dbraw/zinc/37/37/01/335373701.db2.gz JJQNOXHNAJKYKQ-KBPBESRZSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000381347868 336059835 /nfs/dbraw/zinc/05/98/35/336059835.db2.gz DKSNRDYDTCOLIU-YWPYICTPSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000049558707 500880779 /nfs/dbraw/zinc/88/07/79/500880779.db2.gz LXQMSTUTJXWMJL-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449348710 534011014 /nfs/dbraw/zinc/01/10/14/534011014.db2.gz NNVYWVRMEQPRJN-VQISRLSMSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C(F)(F)F ZINC000359148107 534062501 /nfs/dbraw/zinc/06/25/01/534062501.db2.gz TVCKHSWXDWHGCN-ZETCQYMHSA-N 1 0 280.221 3.022 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1 ZINC000449235523 534254376 /nfs/dbraw/zinc/25/43/76/534254376.db2.gz VBHNAMAMQQRKDH-JSGCOSHPSA-N 1 0 294.420 3.401 20 5 CGBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000156774017 519796313 /nfs/dbraw/zinc/79/63/13/519796313.db2.gz SBODKTLPWLTMMG-AWEZNQCLSA-N 1 0 299.802 3.053 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000094424263 520555233 /nfs/dbraw/zinc/55/52/33/520555233.db2.gz DZRWWJPZAKXFPR-ZDUSSCGKSA-N 1 0 278.352 3.031 20 5 CGBDRO COc1cc(C[N@H+](C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000184231453 522345351 /nfs/dbraw/zinc/34/53/51/522345351.db2.gz CLYIQYMCWCYSGT-UHFFFAOYSA-N 1 0 282.315 3.117 20 5 CGBDRO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000087044007 525421248 /nfs/dbraw/zinc/42/12/48/525421248.db2.gz WUDMOEYADPCILZ-MFOWVQHXSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CCF)s2)cc1 ZINC000437251539 534881411 /nfs/dbraw/zinc/88/14/11/534881411.db2.gz NHKWSISVQIFEQZ-UHFFFAOYSA-N 1 0 280.324 3.382 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCCCCC2)cc1F ZINC000094774149 527349713 /nfs/dbraw/zinc/34/97/13/527349713.db2.gz DFYOZRRNOMMGCP-UHFFFAOYSA-N 1 0 252.289 3.110 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCS2)c(Cl)c1 ZINC000149939155 527351818 /nfs/dbraw/zinc/35/18/18/527351818.db2.gz VJCBPUVLGMZZGD-LLVKDONJSA-N 1 0 286.784 3.233 20 5 CGBDRO CCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449177004 527754044 /nfs/dbraw/zinc/75/40/44/527754044.db2.gz OCTWTAUJPJRCMQ-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@@H](C)CCCO)cc1[N+](=O)[O-] ZINC000449410360 528100342 /nfs/dbraw/zinc/10/03/42/528100342.db2.gz YZNPCGFYIWAFRV-ZDUSSCGKSA-N 1 0 294.395 3.216 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000414135714 528104620 /nfs/dbraw/zinc/10/46/20/528104620.db2.gz DQAMVXBIBRFTKA-VHDGCEQUSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1F ZINC000413023204 528119892 /nfs/dbraw/zinc/11/98/92/528119892.db2.gz IPIZJLCTUQXQAN-NSHDSACASA-N 1 0 298.362 3.051 20 5 CGBDRO CCC[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000449378512 528150986 /nfs/dbraw/zinc/15/09/86/528150986.db2.gz XFUXKDAUJXERNC-DEBLGDTFSA-N 1 0 278.352 3.013 20 5 CGBDRO CCC[C@H]([NH2+]CC(C)(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000178164648 528215521 /nfs/dbraw/zinc/21/55/21/528215521.db2.gz CKTKHKJAYBFYKQ-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO CCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447520082 528216084 /nfs/dbraw/zinc/21/60/84/528216084.db2.gz SEDSNVRLWXQDSA-STQMWFEESA-N 1 0 280.372 3.055 20 5 CGBDRO CC[C@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516994509 536099530 /nfs/dbraw/zinc/09/95/30/536099530.db2.gz QSSOUFLANBKDNE-XHDPSFHLSA-N 1 0 287.363 3.397 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCOC1 ZINC000742380459 572571558 /nfs/dbraw/zinc/57/15/58/572571558.db2.gz MGJZAZQAIIRGQR-QMTHXVAHSA-N 1 0 298.770 3.153 20 5 CGBDRO C[S@](=O)CC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000735085042 572700073 /nfs/dbraw/zinc/70/00/73/572700073.db2.gz ZSLXKGOIDSNJNH-NRFANRHFSA-N 1 0 297.423 3.461 20 5 CGBDRO COc1c(O)ccc(C[N@@H+]2CCCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000892037066 618500009 /nfs/dbraw/zinc/50/00/09/618500009.db2.gz VRAUGAYIROLPDF-NSHDSACASA-N 1 0 294.351 3.074 20 5 CGBDRO COCCCC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000892606623 618872594 /nfs/dbraw/zinc/87/25/94/618872594.db2.gz CQOROQRJAYMZFJ-UHFFFAOYSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000067217557 619395093 /nfs/dbraw/zinc/39/50/93/619395093.db2.gz OPAASABUOYOIGK-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CN1CC(CC(F)F)C1 ZINC000895012009 619695906 /nfs/dbraw/zinc/69/59/06/619695906.db2.gz KMYITVJMAMZQKO-UHFFFAOYSA-N 1 0 290.697 3.335 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(F)CC1 ZINC000895550031 619850782 /nfs/dbraw/zinc/85/07/82/619850782.db2.gz PKXBQZXDFYVEDU-HWKANZROSA-N 1 0 264.300 3.042 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OCC[NH+]1CCCCC1 ZINC000109744220 620320552 /nfs/dbraw/zinc/32/05/52/620320552.db2.gz XJWPWTHBSPPIOJ-UHFFFAOYSA-N 1 0 284.743 3.113 20 5 CGBDRO CCC[C@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897463462 620340717 /nfs/dbraw/zinc/34/07/17/620340717.db2.gz GIJCYEBNHZKYGD-CHWSQXEVSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc(F)nc1)c1ccccc1[N+](=O)[O-] ZINC000897465289 620340723 /nfs/dbraw/zinc/34/07/23/620340723.db2.gz VIKAQAFFZQSWHP-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]4CCC[C@H]43)nc2c1 ZINC000897958069 620455939 /nfs/dbraw/zinc/45/59/39/620455939.db2.gz GZHQZQSFBFTUPA-YUSALJHKSA-N 1 0 287.319 3.014 20 5 CGBDRO CC(C)(C)[C@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396077 620874012 /nfs/dbraw/zinc/87/40/12/620874012.db2.gz PMPRYCMJXHBHFU-CYBMUJFWSA-N 1 0 275.308 3.296 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903179089 621615005 /nfs/dbraw/zinc/61/50/05/621615005.db2.gz MJGUIDDSACMBNL-NHYWBVRUSA-N 1 0 296.367 3.069 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000903286684 621669662 /nfs/dbraw/zinc/66/96/62/621669662.db2.gz DZKREUDZBHYVBK-UXIGCNINSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000903287902 621670754 /nfs/dbraw/zinc/67/07/54/621670754.db2.gz SMBZKENOLRZJFC-IUODEOHRSA-N 1 0 290.363 3.205 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC000903393995 621719751 /nfs/dbraw/zinc/71/97/51/621719751.db2.gz WYKDXBVZQZBVCG-OUJBWJOFSA-N 1 0 296.392 3.002 20 5 CGBDRO C[C@]1(Cc2cccc(-c3ccc([N+](=O)[O-])nc3)c2)CCC[NH2+]1 ZINC000906171281 622166679 /nfs/dbraw/zinc/16/66/79/622166679.db2.gz RWKBZCWGAXZWHZ-QGZVFWFLSA-N 1 0 297.358 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](C(F)(F)F)C2)cc1 ZINC000761044591 623653628 /nfs/dbraw/zinc/65/36/28/623653628.db2.gz BGNDPLLEQWSGGL-LLVKDONJSA-N 1 0 288.269 3.022 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922580166 626015181 /nfs/dbraw/zinc/01/51/81/626015181.db2.gz ABNOSMZFUFAJHX-YPUOHESYSA-N 1 0 278.352 3.011 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)CC(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842890693 626267346 /nfs/dbraw/zinc/26/73/46/626267346.db2.gz RQIGNCNELFPGMB-DTWKUNHWSA-N 1 0 287.310 3.119 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H]1C ZINC000752091460 626418745 /nfs/dbraw/zinc/41/87/45/626418745.db2.gz IIXPKGFAJYJWRD-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCCO1 ZINC000761505142 627046589 /nfs/dbraw/zinc/04/65/89/627046589.db2.gz GMMLKPGTEZRSFO-LBPRGKRZSA-N 1 0 298.770 3.249 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346544 627786243 /nfs/dbraw/zinc/78/62/43/627786243.db2.gz OMDAYYZEHAFASP-MFKMUULPSA-N 1 0 266.316 3.497 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346545 627786756 /nfs/dbraw/zinc/78/67/56/627786756.db2.gz OMDAYYZEHAFASP-ZWNOBZJWSA-N 1 0 266.316 3.497 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000774841053 628037113 /nfs/dbraw/zinc/03/71/13/628037113.db2.gz MTRQQRKSDHVHHD-SNVBAGLBSA-N 1 0 295.339 3.369 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[Si](C)(C)C)cc1[N+](=O)[O-] ZINC000775549755 628105465 /nfs/dbraw/zinc/10/54/65/628105465.db2.gz RTXKZLUWRFWXGR-NSHDSACASA-N 1 0 266.417 3.431 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000783285189 628698997 /nfs/dbraw/zinc/69/89/97/628698997.db2.gz GJJCCDKYANOCSW-BXKDBHETSA-N 1 0 268.744 3.179 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@H]2CCCSC2)cc1 ZINC000783520132 628720961 /nfs/dbraw/zinc/72/09/61/628720961.db2.gz VDYWWKDMJDCRHZ-AWEZNQCLSA-N 1 0 294.420 3.403 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000783592600 628729715 /nfs/dbraw/zinc/72/97/15/628729715.db2.gz IOFDIAQSALGJKA-QMMMGPOBSA-N 1 0 254.717 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOCC2CCC2)cc1Cl ZINC000783677026 628738463 /nfs/dbraw/zinc/73/84/63/628738463.db2.gz OFULVQXSYXPAOM-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2ccccc2OC1 ZINC000786834873 628966225 /nfs/dbraw/zinc/96/62/25/628966225.db2.gz VHIQANMBOVTKDE-OAHLLOKOSA-N 1 0 298.342 3.078 20 5 CGBDRO CCC(C)(C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788786635 629081927 /nfs/dbraw/zinc/08/19/27/629081927.db2.gz WUOFJLVEHOSKNB-SNVBAGLBSA-N 1 0 265.357 3.264 20 5 CGBDRO C[NH+](C)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865502645 630156071 /nfs/dbraw/zinc/15/60/71/630156071.db2.gz MFPBQBNIHBSGOJ-LLVKDONJSA-N 1 0 299.321 3.063 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000808728487 630671599 /nfs/dbraw/zinc/67/15/99/630671599.db2.gz PGQCDJOVHBWNGI-YGRLFVJLSA-N 1 0 273.336 3.007 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815583681 631800560 /nfs/dbraw/zinc/80/05/60/631800560.db2.gz LRQNULKPGJLZGB-ZMLRMANQSA-N 1 0 295.408 3.112 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606728 631805948 /nfs/dbraw/zinc/80/59/48/631805948.db2.gz FJDFSIIDMBZCLB-ZIULKBFBSA-N 1 0 289.379 3.406 20 5 CGBDRO [NH3+]CCCCCCCOc1cc(F)cc([N+](=O)[O-])c1 ZINC000818619897 632342792 /nfs/dbraw/zinc/34/27/92/632342792.db2.gz NDOZIOOABZUDKH-UHFFFAOYSA-N 1 0 270.304 3.022 20 5 CGBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819115756 632381309 /nfs/dbraw/zinc/38/13/09/632381309.db2.gz OZQQPLDKVBOOSN-YWPYICTPSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819148904 632388940 /nfs/dbraw/zinc/38/89/40/632388940.db2.gz DVXAVZZMHTURIK-OAHLLOKOSA-N 1 0 292.379 3.044 20 5 CGBDRO CC(C)(C)C1CC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819332134 632432422 /nfs/dbraw/zinc/43/24/22/632432422.db2.gz LTUWZFVGLDBMJL-SSDMNJCBSA-N 1 0 292.379 3.043 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000819353272 632438320 /nfs/dbraw/zinc/43/83/20/632438320.db2.gz AOGFJJFRYQXDTR-CVEARBPZSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@]23CCC[C@H]2OCC3)ccc1Cl ZINC000865860308 632924727 /nfs/dbraw/zinc/92/47/27/632924727.db2.gz VLFFPEKEZZTCED-KGLIPLIRSA-N 1 0 296.754 3.049 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879959757 635889276 /nfs/dbraw/zinc/88/92/76/635889276.db2.gz RQXDYGASOFNCOX-GXTWGEPZSA-N 1 0 292.379 3.139 20 5 CGBDRO CSC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270545 633055226 /nfs/dbraw/zinc/05/52/26/633055226.db2.gz YFUUPUSJEGFSIW-ZJUUUORDSA-N 1 0 286.372 3.006 20 5 CGBDRO COC1(C[C@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000866540934 633183321 /nfs/dbraw/zinc/18/33/21/633183321.db2.gz UGMZSTBZWWQWCH-ZDUSSCGKSA-N 1 0 292.379 3.341 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000866613107 633213263 /nfs/dbraw/zinc/21/32/63/633213263.db2.gz QJQJOLJVCTYSFE-RYUDHWBXSA-N 1 0 288.351 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)cc1Cl ZINC000827488153 633494206 /nfs/dbraw/zinc/49/42/06/633494206.db2.gz DBASRQKPDSPEHA-DDFAGTSDSA-N 1 0 266.728 3.136 20 5 CGBDRO CC(C)COCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019104 633940034 /nfs/dbraw/zinc/94/00/34/633940034.db2.gz SNSZJKBKWPTMLV-LBPRGKRZSA-N 1 0 298.358 3.447 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872042660 633965489 /nfs/dbraw/zinc/96/54/89/633965489.db2.gz CTNJGWFUAKWQTM-GHMZBOCLSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043785 633967151 /nfs/dbraw/zinc/96/71/51/633967151.db2.gz MABRJEPYCQTBBY-WOPDTQHZSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045664 633969397 /nfs/dbraw/zinc/96/93/97/633969397.db2.gz QOWRQSNZOXQZKD-MNOVXSKESA-N 1 0 264.300 3.493 20 5 CGBDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872074088 633997432 /nfs/dbraw/zinc/99/74/32/633997432.db2.gz VREZCNDCGUASQO-MRVPVSSYSA-N 1 0 288.269 3.430 20 5 CGBDRO Cc1c(C[NH2+]CCCc2nccs2)cccc1[N+](=O)[O-] ZINC000873055218 634238529 /nfs/dbraw/zinc/23/85/29/634238529.db2.gz FCWZBMLYUYAKKL-UHFFFAOYSA-N 1 0 291.376 3.082 20 5 CGBDRO CCOCCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873094674 634244564 /nfs/dbraw/zinc/24/45/64/634244564.db2.gz AWJHBWVOWBLQAL-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)CCCO ZINC000873100606 634246453 /nfs/dbraw/zinc/24/64/53/634246453.db2.gz YNJZIHYZSIMZTE-UHFFFAOYSA-N 1 0 294.395 3.100 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccnc1C ZINC000873143678 634257135 /nfs/dbraw/zinc/25/71/35/634257135.db2.gz ONPWFXDDHYJTOV-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885679 634266482 /nfs/dbraw/zinc/26/64/82/634266482.db2.gz LVZZIIFKMXTVMF-ONGXEEELSA-N 1 0 299.321 3.263 20 5 CGBDRO Cc1nccnc1[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000873188822 634275904 /nfs/dbraw/zinc/27/59/04/634275904.db2.gz MJLGGVPIZXNFFT-PZBABLGHSA-N 1 0 298.346 3.057 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1nc(Cl)cs1 ZINC000877063843 634968288 /nfs/dbraw/zinc/96/82/88/634968288.db2.gz KZNCNMGETNLWQL-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877572959 635098378 /nfs/dbraw/zinc/09/83/78/635098378.db2.gz UXDJXFACEVOEGF-SSDMNJCBSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1ncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)s1 ZINC000879252232 635737396 /nfs/dbraw/zinc/73/73/96/635737396.db2.gz JMTBUWIEPFACEA-MRVPVSSYSA-N 1 0 295.339 3.350 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CF)C2)cc1[N+](=O)[O-] ZINC000880239076 635949628 /nfs/dbraw/zinc/94/96/28/635949628.db2.gz ULKTWLZYCIYXGV-ZDUSSCGKSA-N 1 0 266.316 3.085 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000846039013 636135162 /nfs/dbraw/zinc/13/51/62/636135162.db2.gz SCZDWTVBAVIMAC-GHMZBOCLSA-N 1 0 292.763 3.451 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCCOC1 ZINC000846052490 636139285 /nfs/dbraw/zinc/13/92/85/636139285.db2.gz OSROGNJGCIGEED-GFCCVEGCSA-N 1 0 298.770 3.249 20 5 CGBDRO CSCC[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000130748012 636507131 /nfs/dbraw/zinc/50/71/31/636507131.db2.gz HJQGVHVYOCKKOJ-LLVKDONJSA-N 1 0 268.382 3.134 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H]1CCCO1 ZINC000131033427 636546162 /nfs/dbraw/zinc/54/61/62/636546162.db2.gz DEBLPBXAVHXWLY-LBPRGKRZSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1(C)CC1 ZINC000848541865 636597391 /nfs/dbraw/zinc/59/73/91/636597391.db2.gz YMCKXMYOMUWIOX-ZWNOBZJWSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@H]([NH2+]CC1(C)CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000883256476 636625722 /nfs/dbraw/zinc/62/57/22/636625722.db2.gz YUKPESCRZMZDGY-VIFPVBQESA-N 1 0 299.321 3.263 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1SCCS1 ZINC000850401776 637049018 /nfs/dbraw/zinc/04/90/18/637049018.db2.gz SPXXRRHDVREYBD-HYXAFXHYSA-N 1 0 296.417 3.004 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850528296 637106303 /nfs/dbraw/zinc/10/63/03/637106303.db2.gz GSEYNIRSGBWRTF-MZPVMMEZSA-N 1 0 298.342 3.424 20 5 CGBDRO Cc1ccccc1[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000885977898 637340737 /nfs/dbraw/zinc/34/07/37/637340737.db2.gz NXZRRPKIUBDGDS-AWEZNQCLSA-N 1 0 297.358 3.288 20 5 CGBDRO C[C@]1([NH2+]Cc2cccnc2[N+](=O)[O-])CCCc2ccccc21 ZINC000886064926 637397328 /nfs/dbraw/zinc/39/73/28/637397328.db2.gz LIFPISUEIYJTEU-KRWDZBQOSA-N 1 0 297.358 3.331 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886179415 637449909 /nfs/dbraw/zinc/44/99/09/637449909.db2.gz VMOBLZVHHIZGOX-CABCVRRESA-N 1 0 292.379 3.341 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCOC12CCCCC2 ZINC000925312173 638495401 /nfs/dbraw/zinc/49/54/01/638495401.db2.gz XYXSNVKTKSPNOI-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCCO1 ZINC000927015180 638831682 /nfs/dbraw/zinc/83/16/82/638831682.db2.gz RGRZJXYAZCDLTR-ZBFHGGJFSA-N 1 0 290.363 3.131 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927031189 638833816 /nfs/dbraw/zinc/83/38/16/638833816.db2.gz ZGCPLLHLDGEJDQ-HUUCEWRRSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1cc(C)nc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c1 ZINC000930442221 638999411 /nfs/dbraw/zinc/99/94/11/638999411.db2.gz WHKLDWPSHHZMQE-UHFFFAOYSA-N 1 0 299.374 3.281 20 5 CGBDRO CC[C@@H](C)N(Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077441929 640239370 /nfs/dbraw/zinc/23/93/70/640239370.db2.gz UZKYJDOBTGZCHV-CYBMUJFWSA-N 1 0 288.351 3.050 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC=CCC2)c1 ZINC000080122444 640449801 /nfs/dbraw/zinc/44/98/01/640449801.db2.gz KFNTUNDHSUQLIZ-NSHDSACASA-N 1 0 266.728 3.447 20 5 CGBDRO CC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246256887 640665955 /nfs/dbraw/zinc/66/59/55/640665955.db2.gz KFKIUMCUZCDPJZ-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc(Nc2ccc(C[NH3+])cc2)c([N+](=O)[O-])c1 ZINC001159483732 806110730 /nfs/dbraw/zinc/11/07/30/806110730.db2.gz CBUBKYSWZGFICM-UHFFFAOYSA-N 1 0 257.293 3.106 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1 ZINC001252823215 806126073 /nfs/dbraw/zinc/12/60/73/806126073.db2.gz XCKODXXHYHBSQV-JSGCOSHPSA-N 1 0 277.368 3.188 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cccnc21 ZINC001254537844 806446382 /nfs/dbraw/zinc/44/63/82/806446382.db2.gz IGMROJHOLOMBHJ-DOMZBBRYSA-N 1 0 297.358 3.198 20 5 CGBDRO CO[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254551011 806447622 /nfs/dbraw/zinc/44/76/22/806447622.db2.gz VKKZQJQQZQQREE-AEGPPILISA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254573943 806454555 /nfs/dbraw/zinc/45/45/55/806454555.db2.gz DWNMUCASGZOTBW-DOMZBBRYSA-N 1 0 297.358 3.116 20 5 CGBDRO CC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254574886 806454786 /nfs/dbraw/zinc/45/47/86/806454786.db2.gz LSOZJYRVBXMMQT-RDJZCZTQSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCC1CCCC1)C2 ZINC001254572512 806454794 /nfs/dbraw/zinc/45/47/94/806454794.db2.gz PHKQEBUVRIZLES-HNNXBMFYSA-N 1 0 274.364 3.232 20 5 CGBDRO C[C@]1(F)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599678 806458362 /nfs/dbraw/zinc/45/83/62/806458362.db2.gz OJYKRMHSYVNHEH-HOTGVXAUSA-N 1 0 292.354 3.276 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCCC13CC3)C2 ZINC001254602588 806458496 /nfs/dbraw/zinc/45/84/96/806458496.db2.gz GUEQMNGDORXROG-HNNXBMFYSA-N 1 0 272.348 3.081 20 5 CGBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001162401261 806577700 /nfs/dbraw/zinc/57/77/00/806577700.db2.gz KSPPTYGKVDKPDV-VWWYUBIBSA-N 1 0 295.770 3.269 20 5 CGBDRO CCCC(C[NH3+])(CCC)Nc1nc(C)cc(C)c1[N+](=O)[O-] ZINC001163038797 806695358 /nfs/dbraw/zinc/69/53/58/806695358.db2.gz PXAFYKNSWMOIEG-UHFFFAOYSA-N 1 0 294.399 3.316 20 5 CGBDRO CC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000111290374 798983696 /nfs/dbraw/zinc/98/36/96/798983696.db2.gz OMOCLJQHWNXOTC-UHFFFAOYSA-N 1 0 299.321 3.429 20 5 CGBDRO CCCC[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC000309586726 799219379 /nfs/dbraw/zinc/21/93/79/799219379.db2.gz SALKPWNPEDFCKW-UHFFFAOYSA-N 1 0 287.157 3.247 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H](C)C(=O)OC(C)C ZINC001163402663 806759270 /nfs/dbraw/zinc/75/92/70/806759270.db2.gz YKHFPAXYRVPBRZ-AWEZNQCLSA-N 1 0 293.431 3.035 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001163424420 806762433 /nfs/dbraw/zinc/76/24/33/806762433.db2.gz ZPYZSCULEVCGQN-CYBMUJFWSA-N 1 0 279.384 3.436 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2(C3CC3)CC2)c1 ZINC000697352828 799845315 /nfs/dbraw/zinc/84/53/15/799845315.db2.gz TUCFTNKQFMURHJ-UHFFFAOYSA-N 1 0 266.728 3.280 20 5 CGBDRO CC[C@@H]([NH2+]CC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000703164734 799918622 /nfs/dbraw/zinc/91/86/22/799918622.db2.gz RXBWUPNXQBZNOF-WDIPEOLASA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@]23C[C@H]2CCC3)c1 ZINC000710552963 800035906 /nfs/dbraw/zinc/03/59/06/800035906.db2.gz JAFKSAXPTKJQOJ-ZWNOBZJWSA-N 1 0 266.728 3.280 20 5 CGBDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)O1 ZINC000714350970 800118765 /nfs/dbraw/zinc/11/87/65/800118765.db2.gz WEQBZGFLDZXZPH-CQSZACIVSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000715976503 800157273 /nfs/dbraw/zinc/15/72/73/800157273.db2.gz HWZGMXAOAWCRME-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO Cc1cc(N[C@@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])s1 ZINC001163722519 806808155 /nfs/dbraw/zinc/80/81/55/806808155.db2.gz ZZJYZWVTNVBFDK-NSHDSACASA-N 1 0 297.424 3.497 20 5 CGBDRO C[NH+](C)[C@H]1CCCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C1 ZINC000809351851 800429354 /nfs/dbraw/zinc/42/93/54/800429354.db2.gz QAHBUWRUMYVTIQ-NSHDSACASA-N 1 0 299.321 3.063 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CCC[C@@H](F)C3)nc2c1 ZINC001119304271 802645869 /nfs/dbraw/zinc/64/58/69/802645869.db2.gz RHCDPTOZGFXRTA-NXEZZACHSA-N 1 0 293.298 3.106 20 5 CGBDRO C[C@H](CC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120497318 802746730 /nfs/dbraw/zinc/74/67/30/802746730.db2.gz UHFLMTXNEFCACN-BXUZGUMPSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001168968773 807543998 /nfs/dbraw/zinc/54/39/98/807543998.db2.gz AJAORYLUCCGPLD-WMLDXEAASA-N 1 0 284.359 3.375 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)C1 ZINC001168976332 807544551 /nfs/dbraw/zinc/54/45/51/807544551.db2.gz CUVAPZSZMXITBT-DGFSRKRXSA-N 1 0 294.782 3.362 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1Cl ZINC001168975564 807545304 /nfs/dbraw/zinc/54/53/04/807545304.db2.gz WHYSCLMMEBXXJB-CHWSQXEVSA-N 1 0 282.771 3.183 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168979915 807545922 /nfs/dbraw/zinc/54/59/22/807545922.db2.gz CEQCMBAXGNQNDJ-HUBLWGQQSA-N 1 0 280.343 3.312 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc21 ZINC001168978798 807545964 /nfs/dbraw/zinc/54/59/64/807545964.db2.gz UIBRFEHUQMEBES-JXFSHQFZSA-N 1 0 274.364 3.270 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168979916 807545971 /nfs/dbraw/zinc/54/59/71/807545971.db2.gz CEQCMBAXGNQNDJ-JMSVASOKSA-N 1 0 280.343 3.312 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168983329 807547058 /nfs/dbraw/zinc/54/70/58/807547058.db2.gz JKBHZMYWKWRYDM-JFGNBEQYSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3cccc(F)c3)CCC2)C1 ZINC001168997472 807548959 /nfs/dbraw/zinc/54/89/59/807548959.db2.gz ZQXYKXFWFSAAGI-WFASDCNBSA-N 1 0 292.354 3.240 20 5 CGBDRO Cc1ccc2cccc(C[NH2+][C@@H]3CC[C@@H](C[N+](=O)[O-])C3)c2n1 ZINC001169008714 807551086 /nfs/dbraw/zinc/55/10/86/807551086.db2.gz UGMNLLCNPNOLNY-CZUORRHYSA-N 1 0 299.374 3.078 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCCCC3)CC2)C1 ZINC001169007402 807551603 /nfs/dbraw/zinc/55/16/03/807551603.db2.gz NFVQLKCRUMYLJM-GJZGRUSLSA-N 1 0 280.412 3.478 20 5 CGBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011947 807553317 /nfs/dbraw/zinc/55/33/17/807553317.db2.gz NWCILOGBMVJJHI-GUTXKFCHSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169042806 807556918 /nfs/dbraw/zinc/55/69/18/807556918.db2.gz FWTMBBXHSVRGKP-VBNZEHGJSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccccc3F)C2)C1 ZINC001169038423 807557328 /nfs/dbraw/zinc/55/73/28/807557328.db2.gz YSQHVDGSRCIQGE-MGPQQGTHSA-N 1 0 292.354 3.060 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039867 807557611 /nfs/dbraw/zinc/55/76/11/807557611.db2.gz VDBCCZGXGPWCEN-IINYFYTJSA-N 1 0 280.755 3.101 20 5 CGBDRO C[N@H+]([C@H]1CC[C@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049147 807558372 /nfs/dbraw/zinc/55/83/72/807558372.db2.gz WAGCHPZGIIBSKD-HOTGVXAUSA-N 1 0 290.407 3.385 20 5 CGBDRO CC[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001169494459 807651617 /nfs/dbraw/zinc/65/16/17/807651617.db2.gz KMJUYJFWNJUGKV-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH3+])CCCN2c1cccnc1[N+](=O)[O-] ZINC001169699017 807691142 /nfs/dbraw/zinc/69/11/42/807691142.db2.gz SHPUJBKEZFETHK-CYBMUJFWSA-N 1 0 298.346 3.230 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170293097 807819453 /nfs/dbraw/zinc/81/94/53/807819453.db2.gz KOHXMWMQUDYVFU-NEPJUHHUSA-N 1 0 280.368 3.170 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CC(C)C2)c([N+](=O)[O-])c1 ZINC001170298282 807819607 /nfs/dbraw/zinc/81/96/07/807819607.db2.gz IGPXCPRARUPNNZ-OTTFEQOBSA-N 1 0 292.379 3.170 20 5 CGBDRO CCC[N@H+](CC)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330329 807825806 /nfs/dbraw/zinc/82/58/06/807825806.db2.gz ZDWOWVAXPGXXGP-LBPRGKRZSA-N 1 0 280.368 3.266 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@H]2CC23CCC3)c([N+](=O)[O-])c1 ZINC001170324573 807825925 /nfs/dbraw/zinc/82/59/25/807825925.db2.gz RBAFXMKQFRWATO-ABAIWWIYSA-N 1 0 290.363 3.067 20 5 CGBDRO CC(C)(C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899482 808475935 /nfs/dbraw/zinc/47/59/35/808475935.db2.gz ZPVWOLRBLDUQTO-AWEZNQCLSA-N 1 0 276.380 3.478 20 5 CGBDRO CC[C@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901058 808476280 /nfs/dbraw/zinc/47/62/80/808476280.db2.gz IZISUYYMINBOIT-SMDDNHRTSA-N 1 0 262.353 3.230 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H](C)C(C)C)c1F ZINC001173176103 808533113 /nfs/dbraw/zinc/53/31/13/808533113.db2.gz XLAKGWFWDOYZOB-QWRGUYRKSA-N 1 0 298.358 3.308 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC(C)C)c1F ZINC001173176125 808533183 /nfs/dbraw/zinc/53/31/83/808533183.db2.gz YFOHGFZXXBOCJR-LLVKDONJSA-N 1 0 298.358 3.309 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@H]2C)c1F ZINC001173187133 808533661 /nfs/dbraw/zinc/53/36/61/808533661.db2.gz XTRGFSDMCIKJHG-GHMZBOCLSA-N 1 0 296.342 3.158 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001173209286 808537302 /nfs/dbraw/zinc/53/73/02/808537302.db2.gz BASDZXWCPJMJIB-IACUBPJLSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]1C ZINC001173210351 808537328 /nfs/dbraw/zinc/53/73/28/808537328.db2.gz JNDVRUHRLLJYKJ-YWPYICTPSA-N 1 0 262.353 3.304 20 5 CGBDRO CC(C)CC[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213734 808538538 /nfs/dbraw/zinc/53/85/38/808538538.db2.gz HMEYZPGKKQVZQV-LBPRGKRZSA-N 1 0 250.342 3.162 20 5 CGBDRO CCCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173217455 808538800 /nfs/dbraw/zinc/53/88/00/808538800.db2.gz VAVHGDYEBDFJEU-GFCCVEGCSA-N 1 0 250.342 3.306 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H]1CCCCO1 ZINC001173214899 808539194 /nfs/dbraw/zinc/53/91/94/808539194.db2.gz RHYBLFVNAAIAFT-CZUORRHYSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CF)CC1 ZINC001173226356 808540986 /nfs/dbraw/zinc/54/09/86/808540986.db2.gz IWRXGHRMKBEDQU-LBPRGKRZSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)C1CCC1 ZINC001173228300 808541257 /nfs/dbraw/zinc/54/12/57/808541257.db2.gz IUNZCFJCPRDBRL-VXGBXAGGSA-N 1 0 262.353 3.304 20 5 CGBDRO CCCC[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226577 808541810 /nfs/dbraw/zinc/54/18/10/808541810.db2.gz MPQASBANVALEKO-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO CCc1cc(Nc2ccc(C)c([N+](=O)[O-])c2)cc[nH+]1 ZINC001213663782 815320725 /nfs/dbraw/zinc/32/07/25/815320725.db2.gz YBFJPHLKCZCSTN-UHFFFAOYSA-N 1 0 257.293 3.026 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccc([N+](=O)[O-])cc1 ZINC001179579909 809931478 /nfs/dbraw/zinc/93/14/78/809931478.db2.gz XJZQCXCCTXGMNZ-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCO1 ZINC001184089611 810176945 /nfs/dbraw/zinc/17/69/45/810176945.db2.gz RWMXQDUCRHDIDU-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC001186872724 810368213 /nfs/dbraw/zinc/36/82/13/810368213.db2.gz PMHLBQYIGYWIPO-GOEBONIOSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC001197646328 811442225 /nfs/dbraw/zinc/44/22/25/811442225.db2.gz DVPNUESGCOFKHF-IUODEOHRSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC001203574883 812397528 /nfs/dbraw/zinc/39/75/28/812397528.db2.gz PSSWTHGTYJQBRJ-UHFFFAOYSA-N 1 0 298.346 3.329 20 5 CGBDRO C[C@H](OCCC[C@@H]1CCC[NH2+]C1)c1cccc([N+](=O)[O-])c1 ZINC001217888239 815990454 /nfs/dbraw/zinc/99/04/54/815990454.db2.gz PFLBUJRYHFFXLS-KBPBESRZSA-N 1 0 292.379 3.452 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(Cl)c1O[C@@H]1CCC[NH2+]C1 ZINC001217962607 816018998 /nfs/dbraw/zinc/01/89/98/816018998.db2.gz ANJYTTWRFMNSGC-MRVPVSSYSA-N 1 0 291.134 3.032 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001217966150 816020372 /nfs/dbraw/zinc/02/03/72/816020372.db2.gz WXLDKXLLVKCWTR-PXAZEXFGSA-N 1 0 278.355 3.375 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC001218025910 816060682 /nfs/dbraw/zinc/06/06/82/816060682.db2.gz HCCDVWIJKVPERD-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C[NH2+]1 ZINC001218036992 816068191 /nfs/dbraw/zinc/06/81/91/816068191.db2.gz IJWIPVAPCSEANB-DGCLKSJQSA-N 1 0 295.338 3.075 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC001218059524 816079809 /nfs/dbraw/zinc/07/98/09/816079809.db2.gz KAPLDWLOSUBVEX-YPMHNXCESA-N 1 0 286.331 3.267 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218099144 816098211 /nfs/dbraw/zinc/09/82/11/816098211.db2.gz ZVSPLKBSBMBRRG-CJNGLKHVSA-N 1 0 290.363 3.123 20 5 CGBDRO CC(C)(C)c1ccc(O[C@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218239498 816136127 /nfs/dbraw/zinc/13/61/27/816136127.db2.gz GZCBAZJOKUZJRJ-AWEZNQCLSA-N 1 0 290.363 3.023 20 5 CGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218247977 816140352 /nfs/dbraw/zinc/14/03/52/816140352.db2.gz FLBGALMHPWAUOA-MCIONIFRSA-N 1 0 290.363 3.039 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC1CCC2(C[NH2+]C2)CC1 ZINC001218262830 816144771 /nfs/dbraw/zinc/14/47/71/816144771.db2.gz OAWNXULCCFEGSP-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[NH2+]C3(CCC3)C2)cc1Cl ZINC001218308194 816159473 /nfs/dbraw/zinc/15/94/73/816159473.db2.gz FOKKUWJDWBBKCK-LLVKDONJSA-N 1 0 296.754 3.302 20 5 CGBDRO C[C@@H](Oc1cccc(C[NH3+])c1)c1ccccc1[N+](=O)[O-] ZINC001218317382 816165437 /nfs/dbraw/zinc/16/54/37/816165437.db2.gz MQBRIOLBYHBEFW-LLVKDONJSA-N 1 0 272.304 3.194 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218382447 816183925 /nfs/dbraw/zinc/18/39/25/816183925.db2.gz BRIPGTYBZOKNBR-XHDPSFHLSA-N 1 0 264.328 3.127 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001218385614 816185444 /nfs/dbraw/zinc/18/54/44/816185444.db2.gz IINHYDOJKFUBJC-MEDUHNTESA-N 1 0 284.315 3.001 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2C[NH2+]CCC23CC3)ccc2ccccc21 ZINC001218404823 816197626 /nfs/dbraw/zinc/19/76/26/816197626.db2.gz OGDBUUISIMAJDW-OAHLLOKOSA-N 1 0 298.342 3.269 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218411809 816201436 /nfs/dbraw/zinc/20/14/36/816201436.db2.gz BTGJOARSZAYKEW-KPZWWZAWSA-N 1 0 293.370 3.160 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]C(C)(C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218476159 816233068 /nfs/dbraw/zinc/23/30/68/816233068.db2.gz URIQZZPEHADHCP-ZDUSSCGKSA-N 1 0 292.379 3.429 20 5 CGBDRO CC1(C)C[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])CC[NH2+]1 ZINC001218477448 816233630 /nfs/dbraw/zinc/23/36/30/816233630.db2.gz POPCCQHVUCCYQI-SECBINFHSA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1ccc(CO[C@H]2CC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001223226211 816591841 /nfs/dbraw/zinc/59/18/41/816591841.db2.gz VPCXUAIKGYSFDK-SHTZXODSSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001224202678 816754449 /nfs/dbraw/zinc/75/44/49/816754449.db2.gz HJWDZNXFUNJHDW-LBPRGKRZSA-N 1 0 288.347 3.215 20 5 CGBDRO C[C@H](OC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707222 816860269 /nfs/dbraw/zinc/86/02/69/816860269.db2.gz PBRXVLKEYDGAOL-QWHCGFSZSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCCCCCOCc1ccccc1 ZINC001224764839 816876402 /nfs/dbraw/zinc/87/64/02/816876402.db2.gz SNAUBWRHDKKACC-QGZVFWFLSA-N 1 0 294.459 3.485 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1ccccc1C(F)(F)F ZINC001224770863 816877927 /nfs/dbraw/zinc/87/79/27/816877927.db2.gz CUIRBJCPDWNNJF-NSHDSACASA-N 1 0 276.322 3.489 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1cc(-c2ccccc2)no1 ZINC001224774634 816878517 /nfs/dbraw/zinc/87/85/17/816878517.db2.gz VTLNQNSNPUITHC-CYBMUJFWSA-N 1 0 275.372 3.125 20 5 CGBDRO CCC[C@@H](OCC[N+](C)(C)C)c1ccc(OC)cc1 ZINC001224776272 816879202 /nfs/dbraw/zinc/87/92/02/816879202.db2.gz UFEHOQAQBOYPDS-MRXNPFEDSA-N 1 0 266.405 3.259 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC001225683742 817140755 /nfs/dbraw/zinc/14/07/55/817140755.db2.gz VTQBIHFPARADBR-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO Cc1c(O[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001225689064 817141776 /nfs/dbraw/zinc/14/17/76/817141776.db2.gz AMJDEXJGHHNGKQ-ZDUSSCGKSA-N 1 0 278.352 3.155 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc([N+](=O)[O-])c1Cl)C2 ZINC001225786437 817178293 /nfs/dbraw/zinc/17/82/93/817178293.db2.gz SXZVOZDRBRDMSE-JGPRNRPPSA-N 1 0 296.754 3.252 20 5 CGBDRO CCC(=O)c1cc(F)c(O[C@@H](C)C[N+](C)(C)C)c(F)c1 ZINC001225892259 817208121 /nfs/dbraw/zinc/20/81/21/817208121.db2.gz PDPWLISZHCTGLX-JTQLQIEISA-N 1 0 286.342 3.031 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(-c2ccccc2)ccn1 ZINC001226950901 817514893 /nfs/dbraw/zinc/51/48/93/817514893.db2.gz XXUZUQCESOQTCK-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1nc(-c2ccccc2)cs1 ZINC001227690589 817694315 /nfs/dbraw/zinc/69/43/15/817694315.db2.gz NKRHLXTWFHAQND-GFCCVEGCSA-N 1 0 277.413 3.284 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2c(O)cccc12 ZINC001228101598 817812774 /nfs/dbraw/zinc/81/27/74/817812774.db2.gz DLNAYLPUCHJNBG-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(=O)c2ccccc2)cc1 ZINC001228111647 817815061 /nfs/dbraw/zinc/81/50/61/817815061.db2.gz BWVJCIMUPHGGSC-OAHLLOKOSA-N 1 0 298.406 3.391 20 5 CGBDRO Cc1cc(C)c(OC2CCN(CCF)CC2)c([N+](=O)[O-])c1 ZINC001228230891 817844894 /nfs/dbraw/zinc/84/48/94/817844894.db2.gz WTHUQXNLMJUKAJ-UHFFFAOYSA-N 1 0 296.342 3.024 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001231252692 818064078 /nfs/dbraw/zinc/06/40/78/818064078.db2.gz NZKUABMNQYSISR-HNNXBMFYSA-N 1 0 298.342 3.345 20 5 CGBDRO CCOc1ccc(Cl)cc1O[C@H](C)C[N+](C)(C)C ZINC001234285859 818826582 /nfs/dbraw/zinc/82/65/82/818826582.db2.gz LJGIVUWXLNJNEQ-LLVKDONJSA-N 1 0 272.796 3.212 20 5 CGBDRO Cc1ccc(NC(=[NH2+])NCCc2ccccc2[N+](=O)[O-])cc1 ZINC001346589229 936853909 /nfs/dbraw/zinc/85/39/09/936853909.db2.gz XIGPEYMDVYGJOW-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001460902894 928748268 /nfs/dbraw/zinc/74/82/68/928748268.db2.gz TWTKSPFCUUSACU-NSHDSACASA-N 1 0 266.316 3.498 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001228922227 932051627 /nfs/dbraw/zinc/05/16/27/932051627.db2.gz XCRUPRVKZKZLQZ-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO CCCCc1ccc(O)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229573881 932174806 /nfs/dbraw/zinc/17/48/06/932174806.db2.gz ZBSDOLOGPCSRQG-ZDUSSCGKSA-O 1 0 266.405 3.208 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2ccc3c(c2)CCC3)c1 ZINC001461408622 937579590 /nfs/dbraw/zinc/57/95/90/937579590.db2.gz INIXQMULIRHKSY-UHFFFAOYSA-N 1 0 296.370 3.416 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cccc(F)c2c1 ZINC001230211066 932541010 /nfs/dbraw/zinc/54/10/10/932541010.db2.gz GIVPPRNFMTUMIV-GFCCVEGCSA-N 1 0 262.348 3.452 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001230626437 932600377 /nfs/dbraw/zinc/60/03/77/932600377.db2.gz JKENOFBZZLWIIG-LBPRGKRZSA-N 1 0 289.355 3.222 20 5 CGBDRO CC[C@H](C)[C@@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221905 937626274 /nfs/dbraw/zinc/62/62/74/937626274.db2.gz WMNLXIUKIIQDNG-XJKSGUPXSA-N 1 0 294.395 3.130 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1=CCCC1)CC2 ZINC001332118481 932733823 /nfs/dbraw/zinc/73/38/23/932733823.db2.gz GUUXQAXWJCZZHN-UHFFFAOYSA-N 1 0 258.321 3.063 20 5 CGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001307165589 932772526 /nfs/dbraw/zinc/77/25/26/932772526.db2.gz MSFUWICTDZVUAI-LBPRGKRZSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC001306978558 932903985 /nfs/dbraw/zinc/90/39/85/932903985.db2.gz JTTMLGPYDJPUQC-CQSZACIVSA-N 1 0 291.395 3.214 20 5 CGBDRO CC(C)C[N@H+](C)CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC001307157642 932922279 /nfs/dbraw/zinc/92/22/79/932922279.db2.gz RCTVJMGYQJPVJJ-UHFFFAOYSA-N 1 0 283.347 3.124 20 5 CGBDRO CC[NH+](CC)C1CCN(c2ccc([N+](=O)[O-])c(C)c2)CC1 ZINC001317880016 933661466 /nfs/dbraw/zinc/66/14/66/933661466.db2.gz GLJKLVCUMOFDKY-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H](F)C2)cc1 ZINC001336757453 936213757 /nfs/dbraw/zinc/21/37/57/936213757.db2.gz HIRPVKCRNOLXQE-OLZOCXBDSA-N 1 0 266.316 3.008 20 5 CGBDRO CC(C)[N@H+](CCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC001337587369 936272443 /nfs/dbraw/zinc/27/24/43/936272443.db2.gz YTCCXRUTMCDMMP-UHFFFAOYSA-N 1 0 299.374 3.443 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N1CCC(c2c[nH]cn2)CC1 ZINC001337681776 936279522 /nfs/dbraw/zinc/27/95/22/936279522.db2.gz CQGSMSGWCJAJBA-UHFFFAOYSA-N 1 0 286.335 3.010 20 5 CGBDRO Cc1cc(N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)c([N+](=O)[O-])s1 ZINC001559219354 938222643 /nfs/dbraw/zinc/22/26/43/938222643.db2.gz KWIDHGWUPCJRKK-WDEREUQCSA-N 1 0 283.397 3.105 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001559703754 938233112 /nfs/dbraw/zinc/23/31/12/938233112.db2.gz MUAFWKXNIKHACE-LSDHHAIUSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)C[N@H+](CC[N+](=O)[O-])Cc1ccc(F)c(Cl)c1 ZINC001560029970 938242053 /nfs/dbraw/zinc/24/20/53/938242053.db2.gz IWAFBFPFPBOKDO-UHFFFAOYSA-N 1 0 288.750 3.214 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001560909242 938283093 /nfs/dbraw/zinc/28/30/93/938283093.db2.gz OFIKUYMSOIAPHJ-CTYIDZIISA-N 1 0 292.379 3.073 20 5 CGBDRO CCC(CC)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001561026370 938290323 /nfs/dbraw/zinc/29/03/23/938290323.db2.gz BPSGJIFCIPRXPT-LLVKDONJSA-N 1 0 250.342 3.477 20 5 CGBDRO CC[C@H]([NH3+])CN[C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423461694 529453627 /nfs/dbraw/zinc/45/36/27/529453627.db2.gz KDPLFJHMJUNCJX-RDJZCZTQSA-N 1 0 299.374 3.011 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000167417323 529527888 /nfs/dbraw/zinc/52/78/88/529527888.db2.gz WEGONPKNKWCIKQ-NSHDSACASA-N 1 0 286.372 3.307 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000592392176 346982225 /nfs/dbraw/zinc/98/22/25/346982225.db2.gz DCBPPFRQIVKZPT-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000592399638 346984650 /nfs/dbraw/zinc/98/46/50/346984650.db2.gz PJDFHAYZUQJHQI-AXAPSJFSSA-N 1 0 290.363 3.129 20 5 CGBDRO CC[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593070830 347035841 /nfs/dbraw/zinc/03/58/41/347035841.db2.gz XFXWVDGPOVOVLS-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116720 347041230 /nfs/dbraw/zinc/04/12/30/347041230.db2.gz OCQIPPUHGAIARJ-GWCFXTLKSA-N 1 0 282.290 3.387 20 5 CGBDRO COc1cccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000042976374 344991911 /nfs/dbraw/zinc/99/19/11/344991911.db2.gz QRTJSJFSVJYJCY-UHFFFAOYSA-N 1 0 286.331 3.235 20 5 CGBDRO CC1CC[NH+](CCCNc2ccccc2[N+](=O)[O-])CC1 ZINC000057877923 345189904 /nfs/dbraw/zinc/18/99/04/345189904.db2.gz GBFFKEZFGRDOEG-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1cccs1 ZINC000054389531 345134663 /nfs/dbraw/zinc/13/46/63/345134663.db2.gz SIONDPQREHPCNI-SECBINFHSA-N 1 0 297.405 3.433 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000060208947 345212393 /nfs/dbraw/zinc/21/23/93/345212393.db2.gz CZACCHCZWXLYBC-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1ccncc1 ZINC000067446447 345321621 /nfs/dbraw/zinc/32/16/21/345321621.db2.gz JAMVHPXLVBJUSB-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000091481489 345816305 /nfs/dbraw/zinc/81/63/05/345816305.db2.gz IHXIDAXIFURMMO-ZDUSSCGKSA-N 1 0 283.759 3.000 20 5 CGBDRO C[C@H](C[NH2+]CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000125368884 346016732 /nfs/dbraw/zinc/01/67/32/346016732.db2.gz APLVJCFOHVHBFQ-GFCCVEGCSA-N 1 0 280.368 3.245 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295124503 199358464 /nfs/dbraw/zinc/35/84/64/199358464.db2.gz ZBBHJAFZJWLPKK-RISCZKNCSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)sn1 ZINC000404434920 346599624 /nfs/dbraw/zinc/59/96/24/346599624.db2.gz BUDIVUWODILWMH-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000588231377 346756701 /nfs/dbraw/zinc/75/67/01/346756701.db2.gz SPGYMQKQGORMOG-MRVWCRGKSA-N 1 0 280.343 3.396 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC1(CO)CCC1 ZINC000593718387 347107793 /nfs/dbraw/zinc/10/77/93/347107793.db2.gz GAIXHRSPRTUCTD-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594508586 347182475 /nfs/dbraw/zinc/18/24/75/347182475.db2.gz DKHRIUCNTDNCTQ-HZPDHXFCSA-N 1 0 290.363 3.032 20 5 CGBDRO CC1(C)[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(F)F ZINC000594992676 347250845 /nfs/dbraw/zinc/25/08/45/347250845.db2.gz VODAECXAVLGFLL-VGVVRCBHSA-N 1 0 296.317 3.489 20 5 CGBDRO CSCC1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000594963520 347243219 /nfs/dbraw/zinc/24/32/19/347243219.db2.gz PTFDIZCDNMBCQO-UHFFFAOYSA-N 1 0 280.393 3.218 20 5 CGBDRO CC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594980539 347248014 /nfs/dbraw/zinc/24/80/14/347248014.db2.gz RKAUMJBKPRBHHZ-HZRUHFOJSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000595109259 347284946 /nfs/dbraw/zinc/28/49/46/347284946.db2.gz WAEXSGLBQZPNGG-GXTWGEPZSA-N 1 0 292.379 3.369 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC(C)(C)C1 ZINC000595114708 347285139 /nfs/dbraw/zinc/28/51/39/347285139.db2.gz WELVBVLSSHNBBJ-SNVBAGLBSA-N 1 0 278.352 3.443 20 5 CGBDRO CCCC[NH+](CCCC)Cc1onc(C)c1[N+](=O)[O-] ZINC000595288801 347286758 /nfs/dbraw/zinc/28/67/58/347286758.db2.gz OXBGRVDPLNXPFW-UHFFFAOYSA-N 1 0 269.345 3.293 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000595006107 347254443 /nfs/dbraw/zinc/25/44/43/347254443.db2.gz HIIVYNGVEAODIR-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC1(C)C ZINC000595023402 347260491 /nfs/dbraw/zinc/26/04/91/347260491.db2.gz QPBMWQBTNRUELX-ZANVPECISA-N 1 0 264.325 3.053 20 5 CGBDRO CCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595025462 347260844 /nfs/dbraw/zinc/26/08/44/347260844.db2.gz HSBRSRRJVHSEJG-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COC(C)(C)C1 ZINC000595048735 347269197 /nfs/dbraw/zinc/26/91/97/347269197.db2.gz MANYTPZOTYDRQG-JSGCOSHPSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000595052089 347270177 /nfs/dbraw/zinc/27/01/77/347270177.db2.gz QMTOQZQMYVNQQX-GARJFASQSA-N 1 0 296.392 3.148 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000595080060 347279001 /nfs/dbraw/zinc/27/90/01/347279001.db2.gz IYXPBFUBQDPUJY-UONOGXRCSA-N 1 0 260.337 3.360 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595080342 347279007 /nfs/dbraw/zinc/27/90/07/347279007.db2.gz KLKNJXAAUYIINM-YGRLFVJLSA-N 1 0 278.352 3.443 20 5 CGBDRO Cc1noc(C[NH2+][C@H](C)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595419933 347300942 /nfs/dbraw/zinc/30/09/42/347300942.db2.gz AXCTYWDKVAOVRW-WDEREUQCSA-N 1 0 289.335 3.173 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595096473 347282491 /nfs/dbraw/zinc/28/24/91/347282491.db2.gz ZNFPPUHNYVQVDE-BLLLJJGKSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000595096476 347282907 /nfs/dbraw/zinc/28/29/07/347282907.db2.gz ZNFPPUHNYVQVDE-WBMJQRKESA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000595706180 347343734 /nfs/dbraw/zinc/34/37/34/347343734.db2.gz ICUFLAFRZNINPJ-SCLBCKFNSA-N 1 0 296.370 3.455 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595425374 347301842 /nfs/dbraw/zinc/30/18/42/347301842.db2.gz QVVIWRAOGHAEAA-CYZMBNFOSA-N 1 0 295.383 3.442 20 5 CGBDRO CC1=C(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595467626 347307643 /nfs/dbraw/zinc/30/76/43/347307643.db2.gz SCJNXKFPYZVSCY-UHFFFAOYSA-N 1 0 264.300 3.276 20 5 CGBDRO Cc1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c([N+](=O)[O-])s1 ZINC000596231529 347401571 /nfs/dbraw/zinc/40/15/71/347401571.db2.gz KMEWGRQPIQUQIT-ZYHUDNBSSA-N 1 0 295.408 3.028 20 5 CGBDRO C[C@H](CCNc1c(Cl)cccc1[N+](=O)[O-])[NH+](C)C ZINC000596425625 347453723 /nfs/dbraw/zinc/45/37/23/347453723.db2.gz SOWRYAKRVHUECD-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(NCC2CC[NH+](CC3CC3)CC2)s1 ZINC000596561961 347479668 /nfs/dbraw/zinc/47/96/68/347479668.db2.gz IWKGPQOTYIOUGX-UHFFFAOYSA-N 1 0 295.408 3.190 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598963349 347701668 /nfs/dbraw/zinc/70/16/68/347701668.db2.gz NKFCMQFBTYHGBW-LKTVYLICSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2C[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000598977281 347703016 /nfs/dbraw/zinc/70/30/16/347703016.db2.gz ILLFAPRKJKQKDQ-UGFHNGPFSA-N 1 0 274.364 3.427 20 5 CGBDRO CCC[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OCC ZINC000598990041 347704425 /nfs/dbraw/zinc/70/44/25/347704425.db2.gz ZNZSLRVCPUIKLT-AWEZNQCLSA-N 1 0 280.368 3.198 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC[C@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000599059606 347712289 /nfs/dbraw/zinc/71/22/89/347712289.db2.gz ZNZDMSCHKBDWBL-ZIAGYGMSSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CCC(C)C)cccc1[N+](=O)[O-] ZINC000599068052 347713467 /nfs/dbraw/zinc/71/34/67/347713467.db2.gz KGQWAHJNWWMLTL-KBPBESRZSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000599085019 347715787 /nfs/dbraw/zinc/71/57/87/347715787.db2.gz JHQQPODMGOWJAO-GHJWDPDVSA-N 1 0 290.363 3.121 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000599085018 347715892 /nfs/dbraw/zinc/71/58/92/347715892.db2.gz JHQQPODMGOWJAO-DETPVDSQSA-N 1 0 290.363 3.121 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000600214544 347794555 /nfs/dbraw/zinc/79/45/55/347794555.db2.gz AQRXGLSVRCBAJX-NTMALXAHSA-N 1 0 292.379 3.091 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600132892 347783470 /nfs/dbraw/zinc/78/34/70/347783470.db2.gz NSWALAWXWXHOMI-JTQLQIEISA-N 1 0 284.306 3.161 20 5 CGBDRO CC1(C)CC(Nc2ccsc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000600986977 347850715 /nfs/dbraw/zinc/85/07/15/347850715.db2.gz WMXIZCCRLOSALQ-UHFFFAOYSA-N 1 0 283.397 3.377 20 5 CGBDRO CC(C)(F)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601287833 347888888 /nfs/dbraw/zinc/88/88/88/347888888.db2.gz MUGZRZSFFITKIO-CYBMUJFWSA-N 1 0 266.316 3.310 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000601288406 347888892 /nfs/dbraw/zinc/88/88/92/347888892.db2.gz XCCMOITWCNKBHQ-GFCCVEGCSA-N 1 0 254.305 3.384 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)F ZINC000601287277 347888916 /nfs/dbraw/zinc/88/89/16/347888916.db2.gz GJVUXPFKJMAXQC-LLVKDONJSA-N 1 0 268.332 3.254 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1ccns1 ZINC000602601294 347991255 /nfs/dbraw/zinc/99/12/55/347991255.db2.gz KEQGHNKSYFGVHJ-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@H]2CCCCO2)cc1 ZINC000602614107 347994887 /nfs/dbraw/zinc/99/48/87/347994887.db2.gz CAYZFGNVLHROET-MRXNPFEDSA-N 1 0 292.379 3.076 20 5 CGBDRO COCC(C)(C)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602665442 348004168 /nfs/dbraw/zinc/00/41/68/348004168.db2.gz JIRDVWHPAIATML-UHFFFAOYSA-N 1 0 294.395 3.180 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602679729 348007299 /nfs/dbraw/zinc/00/72/99/348007299.db2.gz BSDRBEIBFYMCIM-JQWIXIFHSA-N 1 0 289.335 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCC3CCC3)nc2c1 ZINC000602709595 348015105 /nfs/dbraw/zinc/01/51/05/348015105.db2.gz GSDQBAVOEVWGET-UHFFFAOYSA-N 1 0 289.335 3.406 20 5 CGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000603473274 348085836 /nfs/dbraw/zinc/08/58/36/348085836.db2.gz JNVAXBYLMIKGND-UHFFFAOYSA-N 1 0 277.368 3.271 20 5 CGBDRO C[NH+](C)C1(CNc2cccnc2[N+](=O)[O-])CCCCCC1 ZINC000603840935 348098172 /nfs/dbraw/zinc/09/81/72/348098172.db2.gz AAWISPXLWKRDAW-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000609157276 348338343 /nfs/dbraw/zinc/33/83/43/348338343.db2.gz AHBJOEXXMUQYEA-STQMWFEESA-N 1 0 262.353 3.400 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609195420 348339868 /nfs/dbraw/zinc/33/98/68/348339868.db2.gz MNZXYEHHYINFGB-HNNXBMFYSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133373 348364018 /nfs/dbraw/zinc/36/40/18/348364018.db2.gz LHSBMBUISJBAFV-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610953940 348411298 /nfs/dbraw/zinc/41/12/98/348411298.db2.gz HOLVKPCKUZLHAN-JHJVBQTASA-N 1 0 278.352 3.203 20 5 CGBDRO CC[N@H+](C[C@H]1CCOC1)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204928 348428452 /nfs/dbraw/zinc/42/84/52/348428452.db2.gz BMYNDOZDQJBIEF-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[N@H+](C[C@@H]1CCOC1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000611204951 348428479 /nfs/dbraw/zinc/42/84/79/348428479.db2.gz CGQPJHHAELXBNT-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000611272397 348434114 /nfs/dbraw/zinc/43/41/14/348434114.db2.gz GVBHIDQSKZXZKM-ZDUSSCGKSA-N 1 0 292.379 3.329 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413106 348448694 /nfs/dbraw/zinc/44/86/94/348448694.db2.gz TUTZKAWMOOYKAC-PHIMTYICSA-N 1 0 283.397 3.331 20 5 CGBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000611515328 348458221 /nfs/dbraw/zinc/45/82/21/348458221.db2.gz JGQQXQJDRAHFTG-UONOGXRCSA-N 1 0 292.379 3.323 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1(C)CC1 ZINC000358190334 233077172 /nfs/dbraw/zinc/07/71/72/233077172.db2.gz NNRZXGWXXSTCSI-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO CC(C)C([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000618304528 349067902 /nfs/dbraw/zinc/06/79/02/349067902.db2.gz LPSJXBWSVCZHGR-UHFFFAOYSA-N 1 0 290.367 3.241 20 5 CGBDRO C[C@@H](C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1)C(C)(C)C ZINC000619846002 349287439 /nfs/dbraw/zinc/28/74/39/349287439.db2.gz LWRUEMYHIVOSMC-LBPRGKRZSA-N 1 0 294.399 3.110 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000271515087 191185658 /nfs/dbraw/zinc/18/56/58/191185658.db2.gz PKBHQNYSSIWYOS-JQWIXIFHSA-N 1 0 296.392 3.150 20 5 CGBDRO Cc1ncsc1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000271685554 191276358 /nfs/dbraw/zinc/27/63/58/191276358.db2.gz DGOXYKLMRJDAIC-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000414241717 235371700 /nfs/dbraw/zinc/37/17/00/235371700.db2.gz LUQVNSOGNSYBLH-LBPRGKRZSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000104688235 138350634 /nfs/dbraw/zinc/35/06/34/138350634.db2.gz ZJWWHEHGFQJYQX-LBPRGKRZSA-N 1 0 266.341 3.094 20 5 CGBDRO CC[C@H]([NH2+]C1CCC(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000314246189 138588104 /nfs/dbraw/zinc/58/81/04/138588104.db2.gz VJGRRHHGQXVRHE-PXCJXSSVSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000178362454 189110524 /nfs/dbraw/zinc/11/05/24/189110524.db2.gz QZKMARPVKNNHIS-XHDPSFHLSA-N 1 0 274.364 3.304 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCSC(C)C ZINC000342074150 216211525 /nfs/dbraw/zinc/21/15/25/216211525.db2.gz OKEJPLSVBBSTJP-UHFFFAOYSA-N 1 0 298.408 3.225 20 5 CGBDRO CC(C)OCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000180463553 189257318 /nfs/dbraw/zinc/25/73/18/189257318.db2.gz BKIYKIPIPWAGML-CYBMUJFWSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H]([NH2+]CC1(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181439861 189296432 /nfs/dbraw/zinc/29/64/32/189296432.db2.gz WPDGRCWHEGZQNF-OAHLLOKOSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](CO)CC2)cc1[N+](=O)[O-] ZINC000120205418 370747506 /nfs/dbraw/zinc/74/75/06/370747506.db2.gz ZLAUUVRXPCOALK-UMVBOHGHSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000451103747 240215831 /nfs/dbraw/zinc/21/58/31/240215831.db2.gz OIHZSSBJIAFUPI-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000538192881 288562197 /nfs/dbraw/zinc/56/21/97/288562197.db2.gz IVMBXUDPRDSACO-CHWSQXEVSA-N 1 0 280.368 3.307 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000459633048 242154858 /nfs/dbraw/zinc/15/48/58/242154858.db2.gz MSYVQXGEEVDPIR-NYDKWEPKSA-N 1 0 290.363 3.155 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000459633047 242155597 /nfs/dbraw/zinc/15/55/97/242155597.db2.gz MSYVQXGEEVDPIR-JDUFHDOKSA-N 1 0 290.363 3.155 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC[C@H]1C ZINC000275882575 193155144 /nfs/dbraw/zinc/15/51/44/193155144.db2.gz QOSHPMCOWWTVIH-LALPHHSUSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[C@H](CNc1cc(C)c([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000461774073 242312802 /nfs/dbraw/zinc/31/28/02/242312802.db2.gz KFPBHDUDYVGNBH-GFCCVEGCSA-N 1 0 295.358 3.329 20 5 CGBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000461966134 242320323 /nfs/dbraw/zinc/32/03/23/242320323.db2.gz ODPLAIVVYIXNAW-NWDGAFQWSA-N 1 0 295.358 3.327 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000483871712 243301141 /nfs/dbraw/zinc/30/11/41/243301141.db2.gz PVOSPDCREOECJI-NJZAAPMLSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000126175593 370944479 /nfs/dbraw/zinc/94/44/79/370944479.db2.gz ODPNUXRZXNDBLC-QWHCGFSZSA-N 1 0 292.379 3.369 20 5 CGBDRO COc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000020087228 368798200 /nfs/dbraw/zinc/79/82/00/368798200.db2.gz FBDDJSCKEFGVNL-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000025827433 368853118 /nfs/dbraw/zinc/85/31/18/368853118.db2.gz GQLTVEWQWNSJIU-CYBMUJFWSA-N 1 0 291.376 3.371 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccc(O)c1 ZINC000037509473 369088000 /nfs/dbraw/zinc/08/80/00/369088000.db2.gz YZSVSRNXQSFRLB-LLVKDONJSA-N 1 0 272.304 3.151 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCOC2CCCCC2)cs1 ZINC000037562649 369089329 /nfs/dbraw/zinc/08/93/29/369089329.db2.gz FWFIAXUTMIYIMU-UHFFFAOYSA-N 1 0 298.408 3.485 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1cccc(C)c1 ZINC000037871808 369121263 /nfs/dbraw/zinc/12/12/63/369121263.db2.gz RTSBVRPBBNIOPB-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc(O)c1)c1cccc([N+](=O)[O-])c1 ZINC000037775506 369108196 /nfs/dbraw/zinc/10/81/96/369108196.db2.gz FDIKOKXJJXYMMW-NSHDSACASA-N 1 0 272.304 3.151 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000042366496 369217418 /nfs/dbraw/zinc/21/74/18/369217418.db2.gz NEGAGZCHJAKPIX-UHFFFAOYSA-N 1 0 274.295 3.366 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc(C)c1O ZINC000048068876 369334963 /nfs/dbraw/zinc/33/49/63/369334963.db2.gz UEUYYYDMQSRHHW-UHFFFAOYSA-N 1 0 286.331 3.207 20 5 CGBDRO CC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000051740757 369454499 /nfs/dbraw/zinc/45/44/99/369454499.db2.gz IABYHQVUQKSVFR-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000058003349 369553819 /nfs/dbraw/zinc/55/38/19/369553819.db2.gz DZYGFQRUEOYUEU-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000058603244 369571331 /nfs/dbraw/zinc/57/13/31/369571331.db2.gz DQZIZOITPUAZPI-UHFFFAOYSA-N 1 0 277.368 3.127 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCSC(C)(C)C2)cc1[N+](=O)[O-] ZINC000093504380 370137174 /nfs/dbraw/zinc/13/71/74/370137174.db2.gz HHEXAJURKXUAHQ-UHFFFAOYSA-N 1 0 280.393 3.231 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000513661975 245087957 /nfs/dbraw/zinc/08/79/57/245087957.db2.gz RRFUORBNVZUZFC-OLZOCXBDSA-N 1 0 278.352 3.128 20 5 CGBDRO CSC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130696113 371054316 /nfs/dbraw/zinc/05/43/16/371054316.db2.gz HHTYVAAZQDMNMD-MRVPVSSYSA-N 1 0 274.773 3.089 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000130915387 371069207 /nfs/dbraw/zinc/06/92/07/371069207.db2.gz RBONBRARLVZGBG-QWHCGFSZSA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cncs2)cc1[N+](=O)[O-] ZINC000133123013 371228627 /nfs/dbraw/zinc/22/86/27/371228627.db2.gz JAPOBPYLJIPZNX-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000134558507 371350517 /nfs/dbraw/zinc/35/05/17/371350517.db2.gz LDVJYYUUHZVGQA-LLVKDONJSA-N 1 0 286.422 3.374 20 5 CGBDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000145253782 371517775 /nfs/dbraw/zinc/51/77/75/371517775.db2.gz LPONZONYLXOMPI-QMMMGPOBSA-N 1 0 262.231 3.025 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000286861660 371564993 /nfs/dbraw/zinc/56/49/93/371564993.db2.gz BDEWTHXEEWJROH-NEPJUHHUSA-N 1 0 280.393 3.389 20 5 CGBDRO Cc1c([C@@H](C)NCC2([NH3+])CCCCC2)cccc1[N+](=O)[O-] ZINC000423188401 372014633 /nfs/dbraw/zinc/01/46/33/372014633.db2.gz YYFKTAADHRQRMP-CYBMUJFWSA-N 1 0 291.395 3.215 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000159581295 372157487 /nfs/dbraw/zinc/15/74/87/372157487.db2.gz YCXNBCWANFUOMZ-NWDGAFQWSA-N 1 0 280.393 3.449 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428465375 372214667 /nfs/dbraw/zinc/21/46/67/372214667.db2.gz XCAPROAXORTLKK-OYROCLPXSA-N 1 0 272.348 3.482 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292875247 372235041 /nfs/dbraw/zinc/23/50/41/372235041.db2.gz WYSAPWIPDIXKHC-ZDUSSCGKSA-N 1 0 294.420 3.478 20 5 CGBDRO C[NH+](C)[C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000292904857 372243985 /nfs/dbraw/zinc/24/39/85/372243985.db2.gz BZIQLRFOQDQRSZ-LLVKDONJSA-N 1 0 297.786 3.169 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000160556922 372257492 /nfs/dbraw/zinc/25/74/92/372257492.db2.gz HCWRPJDEZPADIG-NSHDSACASA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429228565 372323646 /nfs/dbraw/zinc/32/36/46/372323646.db2.gz TYGXEUCBRKGWOA-UHFFFAOYSA-N 1 0 250.342 3.466 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000344388090 217177601 /nfs/dbraw/zinc/17/76/01/217177601.db2.gz GHPOAZWPZGMNHQ-WBMJQRKESA-N 1 0 292.379 3.375 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)SC)c1cccc([N+](=O)[O-])c1 ZINC000163581421 372480567 /nfs/dbraw/zinc/48/05/67/372480567.db2.gz PNGAOMMTHVRIQD-GWCFXTLKSA-N 1 0 268.382 3.387 20 5 CGBDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000293632584 372431938 /nfs/dbraw/zinc/43/19/38/372431938.db2.gz KHGNWCKHYJTOKB-VIFPVBQESA-N 1 0 270.279 3.291 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000293682048 372449832 /nfs/dbraw/zinc/44/98/32/372449832.db2.gz KILPXVQPGXZZFR-LSDHHAIUSA-N 1 0 278.352 3.061 20 5 CGBDRO COC1(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000293699874 372454373 /nfs/dbraw/zinc/45/43/73/372454373.db2.gz CQMRIUZXPMCJDU-LBPRGKRZSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000163886783 372498295 /nfs/dbraw/zinc/49/82/95/372498295.db2.gz RLJQEIXJGALHCT-NWDGAFQWSA-N 1 0 288.351 3.049 20 5 CGBDRO CC[C@@H](COC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241106 372584249 /nfs/dbraw/zinc/58/42/49/372584249.db2.gz ODXLMOWAMOQODS-XHDPSFHLSA-N 1 0 292.379 3.332 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000295623393 372852546 /nfs/dbraw/zinc/85/25/46/372852546.db2.gz ZKCDLTBLEVMZRY-SWLSCSKDSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000295766066 372903944 /nfs/dbraw/zinc/90/39/44/372903944.db2.gz QOMUGKPMNSUSLT-GFQSEFKGSA-N 1 0 278.352 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000441441584 373013662 /nfs/dbraw/zinc/01/36/62/373013662.db2.gz XGLHSGVZUCOXSM-CJNGLKHVSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])cn1 ZINC000353565282 220159026 /nfs/dbraw/zinc/15/90/26/220159026.db2.gz BAIBNKTXOPUMPF-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173454809 373142446 /nfs/dbraw/zinc/14/24/46/373142446.db2.gz HQQWZVRQTINRRS-QWHCGFSZSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301074425 373650538 /nfs/dbraw/zinc/65/05/38/373650538.db2.gz GOBQVVSIOIFLMR-NWDGAFQWSA-N 1 0 295.358 3.266 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CCC1)C1CC1 ZINC000177773810 373709109 /nfs/dbraw/zinc/70/91/09/373709109.db2.gz YOIGPJNDMFEDNG-OAHLLOKOSA-N 1 0 274.364 3.306 20 5 CGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000301121974 373670102 /nfs/dbraw/zinc/67/01/02/373670102.db2.gz NVYBSQJJWCHDTA-UHFFFAOYSA-N 1 0 277.368 3.271 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000301281801 373728777 /nfs/dbraw/zinc/72/87/77/373728777.db2.gz QFEFYUAYBYJZDS-CQSZACIVSA-N 1 0 277.368 3.271 20 5 CGBDRO C[NH+](C)CCSCc1ccc([N+](=O)[O-])cc1Cl ZINC000181020515 374069393 /nfs/dbraw/zinc/06/93/93/374069393.db2.gz HIRDQCWCICBMET-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO COC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC1 ZINC000181080565 374076824 /nfs/dbraw/zinc/07/68/24/374076824.db2.gz RTQLHMGPKHWYRD-UHFFFAOYSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000311389450 374238983 /nfs/dbraw/zinc/23/89/83/374238983.db2.gz CHESFOXOIWZZBS-JTQLQIEISA-N 1 0 266.316 3.402 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183359297 374405221 /nfs/dbraw/zinc/40/52/21/374405221.db2.gz FPUORZLUMPSOSH-GFCCVEGCSA-N 1 0 282.409 3.477 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1C ZINC000183378725 374407442 /nfs/dbraw/zinc/40/74/42/374407442.db2.gz CREPCHSQIQMPRA-AWEZNQCLSA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000453328395 374423949 /nfs/dbraw/zinc/42/39/49/374423949.db2.gz TUVPQAJSGHXVQR-ZYHUDNBSSA-N 1 0 280.368 3.103 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184309078 374513294 /nfs/dbraw/zinc/51/32/94/374513294.db2.gz UUSARZZXWJYGHG-VHSXEESVSA-N 1 0 284.331 3.267 20 5 CGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCCC1CCCC1)CC2 ZINC000332172341 374558213 /nfs/dbraw/zinc/55/82/13/374558213.db2.gz SLBYWQUNQBVAIW-UHFFFAOYSA-N 1 0 289.379 3.318 20 5 CGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000472268766 375015064 /nfs/dbraw/zinc/01/50/64/375015064.db2.gz QHZCUHZCHDMHNR-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO CC(C)([NH2+]C[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000487330081 375229820 /nfs/dbraw/zinc/22/98/20/375229820.db2.gz DHGFALNKLNKQAJ-LLVKDONJSA-N 1 0 280.393 3.173 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189339216 375370542 /nfs/dbraw/zinc/37/05/42/375370542.db2.gz CXVQYTUTPOMRHS-VBNZEHGJSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193199967 375838472 /nfs/dbraw/zinc/83/84/72/375838472.db2.gz FNTZTXTWRXZAIA-MRXNPFEDSA-N 1 0 292.379 3.139 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193325080 375860282 /nfs/dbraw/zinc/86/02/82/375860282.db2.gz FEYRZLKDKBIOAP-HNNXBMFYSA-N 1 0 292.379 3.377 20 5 CGBDRO CCC[NH+](CCC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193592337 375896900 /nfs/dbraw/zinc/89/69/00/375896900.db2.gz YXNOVVQICJLZQZ-UHFFFAOYSA-N 1 0 281.312 3.125 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000193827855 375927901 /nfs/dbraw/zinc/92/79/01/375927901.db2.gz BIDSSTLCBQRNAY-LBPRGKRZSA-N 1 0 294.420 3.401 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000217366962 376172401 /nfs/dbraw/zinc/17/24/01/376172401.db2.gz YZBSBRAYEWUAMW-JTQLQIEISA-N 1 0 285.775 3.390 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000537616553 376181794 /nfs/dbraw/zinc/18/17/94/376181794.db2.gz FNUJQOYLTVDTHM-MVTQWGDUSA-N 1 0 260.337 3.338 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000226761064 376371753 /nfs/dbraw/zinc/37/17/53/376371753.db2.gz ICFQDWPUAWTNEK-CQDKDKBSSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)[NH+](C)C ZINC000228842334 376450569 /nfs/dbraw/zinc/45/05/69/376450569.db2.gz MISYLJXQCUTPBV-ZETCQYMHSA-N 1 0 292.166 3.264 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000542321847 376535003 /nfs/dbraw/zinc/53/50/03/376535003.db2.gz NKMVURNBSWHMDU-CYBMUJFWSA-N 1 0 292.379 3.471 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338963117 376602932 /nfs/dbraw/zinc/60/29/32/376602932.db2.gz LTRMMIMXTHFSEY-AWEZNQCLSA-N 1 0 278.352 3.311 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C(C)C)C1 ZINC000542701216 376570620 /nfs/dbraw/zinc/57/06/20/376570620.db2.gz ZUTIKCKVSWNWNC-ZDUSSCGKSA-N 1 0 262.353 3.381 20 5 CGBDRO C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000339003382 376623109 /nfs/dbraw/zinc/62/31/09/376623109.db2.gz PGKOANLQPDDROE-VXGBXAGGSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000339004940 376623450 /nfs/dbraw/zinc/62/34/50/376623450.db2.gz VUPQXISTWPCUIU-NWDGAFQWSA-N 1 0 295.358 3.409 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000236653414 376676962 /nfs/dbraw/zinc/67/69/62/376676962.db2.gz ZLHLZJAAUPMVJQ-AWEZNQCLSA-N 1 0 292.379 3.234 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@H]3CCCC[C@H]32)c1 ZINC000246081258 376962376 /nfs/dbraw/zinc/96/23/76/376962376.db2.gz FIMMOOZBBLKDDI-CABCVRRESA-N 1 0 292.404 3.455 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CCCCO ZINC000560349192 377143164 /nfs/dbraw/zinc/14/31/64/377143164.db2.gz APRKOYIBZMQQRO-OLZOCXBDSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000247064891 377152252 /nfs/dbraw/zinc/15/22/52/377152252.db2.gz OADAVMUTGQBQLI-UONOGXRCSA-N 1 0 291.395 3.120 20 5 CGBDRO CCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000248536114 377337853 /nfs/dbraw/zinc/33/78/53/377337853.db2.gz ZWWVKQMWDQDUAN-HIFRSBDPSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313087850 249086824 /nfs/dbraw/zinc/08/68/24/249086824.db2.gz MEURUVMXNXLGGO-KYOSRNDESA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H]([N@H+](C)CCOc1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000177216585 249052799 /nfs/dbraw/zinc/05/27/99/249052799.db2.gz AKJIOWVVXIHMTO-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000515300514 249207257 /nfs/dbraw/zinc/20/72/57/249207257.db2.gz SRTMBVJZNIGCKD-STQMWFEESA-N 1 0 266.316 3.274 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(F)(F)[C@@H](C)C1 ZINC000518152960 249276068 /nfs/dbraw/zinc/27/60/68/249276068.db2.gz SQTZCQWFPJCSCL-NSHDSACASA-N 1 0 284.306 3.380 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000251484274 377585269 /nfs/dbraw/zinc/58/52/69/377585269.db2.gz CLKPACZSTHOZBV-OSAQELSMSA-N 1 0 278.352 3.203 20 5 CGBDRO CC1(C)[C@@H]2C[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000254981302 377720365 /nfs/dbraw/zinc/72/03/65/377720365.db2.gz SVLSNUMJBVOKGT-HMDMIVDLSA-N 1 0 272.348 3.196 20 5 CGBDRO Cc1cc(NC[C@@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262578486 377902583 /nfs/dbraw/zinc/90/25/83/377902583.db2.gz YOVPFNRRUSCBSO-INIZCTEOSA-N 1 0 297.358 3.202 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000268804558 378116183 /nfs/dbraw/zinc/11/61/83/378116183.db2.gz BLJUIGDLFUZKIE-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697564 378255981 /nfs/dbraw/zinc/25/59/81/378255981.db2.gz XGIWYXAGFHUTHS-IVMMDQJWSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1=CC[N@H+](C)CC1 ZINC000273004310 378733813 /nfs/dbraw/zinc/73/38/13/378733813.db2.gz ROOJRKRUUXQZKY-JTQLQIEISA-N 1 0 295.770 3.311 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](CC(F)(F)F)C1 ZINC000278757273 194139575 /nfs/dbraw/zinc/13/95/75/194139575.db2.gz MKFLKCBAWSPMTE-SNVBAGLBSA-N 1 0 288.269 3.369 20 5 CGBDRO Cc1ccc(C)c(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])c1 ZINC000348920439 379111649 /nfs/dbraw/zinc/11/16/49/379111649.db2.gz JZPCWXAMGSZQFY-UHFFFAOYSA-N 1 0 299.374 3.177 20 5 CGBDRO CC[N@H+](C)C[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279466715 379440699 /nfs/dbraw/zinc/44/06/99/379440699.db2.gz MLMDOZOWWHONRX-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000352545949 379853087 /nfs/dbraw/zinc/85/30/87/379853087.db2.gz NROQZSBHJZTZJI-KBPBESRZSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000352570155 379863510 /nfs/dbraw/zinc/86/35/10/379863510.db2.gz CXLZIVGRVSAWDE-UHFFFAOYSA-N 1 0 299.374 3.281 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@H]2CCOC2)c(Cl)c1 ZINC000402253966 379962560 /nfs/dbraw/zinc/96/25/60/379962560.db2.gz FSOOAEXKBRGTCC-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283943476 380109216 /nfs/dbraw/zinc/10/92/16/380109216.db2.gz FNQRMDKDIRLXLL-LBPRGKRZSA-N 1 0 285.347 3.336 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000354019676 380282423 /nfs/dbraw/zinc/28/24/23/380282423.db2.gz ZTVRPHMCPWWHMK-GAFUQQFSSA-N 1 0 280.393 3.305 20 5 CGBDRO CCCC[C@@H](C[NH3+])NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414816348 380427731 /nfs/dbraw/zinc/42/77/31/380427731.db2.gz PNNKNSUILZPYAB-AWEZNQCLSA-N 1 0 293.411 3.325 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1(C(F)F)CC1 ZINC000355168916 380608615 /nfs/dbraw/zinc/60/86/15/380608615.db2.gz TUTMGBLHXRNXCW-HWKANZROSA-N 1 0 282.290 3.243 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)CC2(O)CCC2)cc1[N+](=O)[O-] ZINC000355363878 380661503 /nfs/dbraw/zinc/66/15/03/380661503.db2.gz CUKROVDJKSWBIE-UHFFFAOYSA-N 1 0 292.379 3.065 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC[C@H]2C2CCC2)c1 ZINC000418132024 380708783 /nfs/dbraw/zinc/70/87/83/380708783.db2.gz XSCOVMUJKPDGSP-HNNXBMFYSA-N 1 0 292.404 3.312 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)ccc1[N+](=O)[O-] ZINC000419372689 380819535 /nfs/dbraw/zinc/81/95/35/380819535.db2.gz MUHLATNPKLUTDN-TUAOUCFPSA-N 1 0 278.352 3.080 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1C ZINC000357717764 381263664 /nfs/dbraw/zinc/26/36/64/381263664.db2.gz SIMBTZASXNKLFZ-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1cc(NCC[N@H+]2CC=C(C)CC2)c(F)cc1[N+](=O)[O-] ZINC000360047739 381423899 /nfs/dbraw/zinc/42/38/99/381423899.db2.gz NHOKVBSYKZRQBV-UHFFFAOYSA-N 1 0 293.342 3.106 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469885 381554047 /nfs/dbraw/zinc/55/40/47/381554047.db2.gz YAZYQEZHSARGRT-RISCZKNCSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479023 381556585 /nfs/dbraw/zinc/55/65/85/381556585.db2.gz UQBULOKSTCADEO-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362313288 381938894 /nfs/dbraw/zinc/93/88/94/381938894.db2.gz CETYPOSOORYKDG-OAHLLOKOSA-N 1 0 296.342 3.365 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000362313287 381939631 /nfs/dbraw/zinc/93/96/31/381939631.db2.gz CETYPOSOORYKDG-HNNXBMFYSA-N 1 0 296.342 3.365 20 5 CGBDRO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H](C)OC ZINC000291050382 285095131 /nfs/dbraw/zinc/09/51/31/285095131.db2.gz IFNKSALENOYCHE-SNVBAGLBSA-N 1 0 286.759 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc3OC2)cc1 ZINC000509444972 285115114 /nfs/dbraw/zinc/11/51/14/285115114.db2.gz XZEQYCPKIDLXRP-OAHLLOKOSA-N 1 0 298.342 3.078 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350343873 219009509 /nfs/dbraw/zinc/00/95/09/219009509.db2.gz WZEWCOCGDYRNGQ-DZGCQCFKSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000343956348 285160269 /nfs/dbraw/zinc/16/02/69/285160269.db2.gz DAUHJJOZBKHGQR-CYBMUJFWSA-N 1 0 260.337 3.217 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC(F)(F)C2)cs1 ZINC000281605046 195306118 /nfs/dbraw/zinc/30/61/18/195306118.db2.gz KEZICQDBZHYUDI-QMMMGPOBSA-N 1 0 276.308 3.181 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000283582604 195882090 /nfs/dbraw/zinc/88/20/90/195882090.db2.gz RIZPWKDOZIQQOB-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414195854 533307493 /nfs/dbraw/zinc/30/74/93/533307493.db2.gz JLHGBHKPCWXZNJ-WCQYABFASA-N 1 0 280.368 3.226 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411955085 533356011 /nfs/dbraw/zinc/35/60/11/533356011.db2.gz UHWKVWZVTWQRMW-BLLLJJGKSA-N 1 0 292.379 3.196 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000091098120 392230150 /nfs/dbraw/zinc/23/01/50/392230150.db2.gz GUXFJJWEYHKHGV-GFCCVEGCSA-N 1 0 298.408 3.047 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000282059704 392279289 /nfs/dbraw/zinc/27/92/89/392279289.db2.gz MNQCYQAKMWHIEC-CABZTGNLSA-N 1 0 282.315 3.021 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CC(F)(F)C2)c1 ZINC000291801665 392485514 /nfs/dbraw/zinc/48/55/14/392485514.db2.gz XGGVXQMQLRPHON-UHFFFAOYSA-N 1 0 290.697 3.383 20 5 CGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505636749 392683908 /nfs/dbraw/zinc/68/39/08/392683908.db2.gz MGCJWYBIMJTZEO-SNVBAGLBSA-N 1 0 254.305 3.210 20 5 CGBDRO Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000505344155 392661336 /nfs/dbraw/zinc/66/13/36/392661336.db2.gz NVPGJEAGJMCXDY-RYUDHWBXSA-N 1 0 262.353 3.381 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCC[C@H]1C ZINC000466421481 393029431 /nfs/dbraw/zinc/02/94/31/393029431.db2.gz DLIZCUZGFBVFCZ-YPMHNXCESA-N 1 0 262.353 3.429 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000346797089 393094307 /nfs/dbraw/zinc/09/43/07/393094307.db2.gz KTWUIHPVCSXLIT-GUTXKFCHSA-N 1 0 291.395 3.037 20 5 CGBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC(C)CC1 ZINC000355408528 393308960 /nfs/dbraw/zinc/30/89/60/393308960.db2.gz BRJSNBCCVCIUBV-UHFFFAOYSA-N 1 0 292.379 3.280 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568802 393483579 /nfs/dbraw/zinc/48/35/79/393483579.db2.gz PNVLOTCDSGZINY-PWSUYJOCSA-N 1 0 266.316 3.354 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC(C)C ZINC000430213646 393540829 /nfs/dbraw/zinc/54/08/29/393540829.db2.gz CINULXKTXAUYCI-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430216792 393541788 /nfs/dbraw/zinc/54/17/88/393541788.db2.gz HWKMPRFMQYCYRQ-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]1CSCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000488405915 393500590 /nfs/dbraw/zinc/50/05/90/393500590.db2.gz JWDKPDDNPJFDLQ-RYWCDNDXSA-N 1 0 292.404 3.293 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)[C@H](C)c1ccco1 ZINC000430229992 393545152 /nfs/dbraw/zinc/54/51/52/393545152.db2.gz XFCGVQXJGFIWSV-LLVKDONJSA-N 1 0 290.319 3.389 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC(C)(C)C1 ZINC000430243296 393548284 /nfs/dbraw/zinc/54/82/84/393548284.db2.gz ZICWYEXIQZVQRU-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1cc(C[N@H+]2CC(C)=C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000430285999 393560005 /nfs/dbraw/zinc/56/00/05/393560005.db2.gz WDDFTUZZZPVATE-NSHDSACASA-N 1 0 276.336 3.001 20 5 CGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000432791212 393639456 /nfs/dbraw/zinc/63/94/56/393639456.db2.gz ZBUPDYSYMPMVMM-GFCCVEGCSA-N 1 0 260.337 3.359 20 5 CGBDRO CCC(CC)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000492481829 393742248 /nfs/dbraw/zinc/74/22/48/393742248.db2.gz FHUYDTCXESFKSR-CSKARUKUSA-N 1 0 292.379 3.403 20 5 CGBDRO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444597309 393790324 /nfs/dbraw/zinc/79/03/24/393790324.db2.gz ONNPTNCMRITTFK-UHFFFAOYSA-N 1 0 288.351 3.092 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC[C@@H]1CCOC1 ZINC000449687001 393942437 /nfs/dbraw/zinc/94/24/37/393942437.db2.gz ZNWXRKPIFGCEHN-BTKRWWFXSA-N 1 0 290.363 3.014 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000453361353 292249524 /nfs/dbraw/zinc/24/95/24/292249524.db2.gz AZFIXIOEWVFBHU-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037775609 286887140 /nfs/dbraw/zinc/88/71/40/286887140.db2.gz UVFBBPFPLAQASP-CQDKDKBSSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000178362441 287054680 /nfs/dbraw/zinc/05/46/80/287054680.db2.gz QZKMARPVKNNHIS-ABAIWWIYSA-N 1 0 274.364 3.304 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090587453 287102986 /nfs/dbraw/zinc/10/29/86/287102986.db2.gz WKKBMIPUSDBZCO-OCCSQVGLSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000111398775 287134491 /nfs/dbraw/zinc/13/44/91/287134491.db2.gz IGMLEYILJLEMDO-NVXWUHKLSA-N 1 0 282.343 3.488 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000119325836 287168278 /nfs/dbraw/zinc/16/82/78/287168278.db2.gz SKJHWZHMWVIUHW-GHMZBOCLSA-N 1 0 280.755 3.480 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000119602441 287171698 /nfs/dbraw/zinc/17/16/98/287171698.db2.gz XVORLKDLTAYJRY-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOC(C)C)cc1[N+](=O)[O-] ZINC000020198372 171062485 /nfs/dbraw/zinc/06/24/85/171062485.db2.gz OYSIJSZLEPJCAT-CYBMUJFWSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000035009921 171927112 /nfs/dbraw/zinc/92/71/12/171927112.db2.gz SZWCQJPLZKCCRV-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285420329 196279242 /nfs/dbraw/zinc/27/92/42/196279242.db2.gz GPNHZWNZSHICTA-GHMZBOCLSA-N 1 0 298.770 3.010 20 5 CGBDRO CC1(C)CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000127263471 287283971 /nfs/dbraw/zinc/28/39/71/287283971.db2.gz BUKWFFUDMQSNPB-VMPITWQZSA-N 1 0 260.337 3.482 20 5 CGBDRO C[C@H]([NH2+]CCN1CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000040767602 174398246 /nfs/dbraw/zinc/39/82/46/174398246.db2.gz YQMPNLMSQFWVBW-AWEZNQCLSA-N 1 0 291.395 3.121 20 5 CGBDRO C[C@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049558534 175487623 /nfs/dbraw/zinc/48/76/23/175487623.db2.gz MPFUNXXLSRLQFV-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(F)C1 ZINC000449376738 533681708 /nfs/dbraw/zinc/68/17/08/533681708.db2.gz OXDYSVQDYQNPNK-ZOODHJKOSA-N 1 0 280.343 3.396 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccnc1 ZINC000133499235 287423971 /nfs/dbraw/zinc/42/39/71/287423971.db2.gz PJJVXAZNMYTDKK-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185637977 270063673 /nfs/dbraw/zinc/06/36/73/270063673.db2.gz NJHLZAGBAKXBAD-ZWNOBZJWSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217363589 270085156 /nfs/dbraw/zinc/08/51/56/270085156.db2.gz CNYJXGKZGJCLMR-STQMWFEESA-N 1 0 295.770 3.287 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C ZINC000322056499 270093263 /nfs/dbraw/zinc/09/32/63/270093263.db2.gz QHLSZPBWBAUERR-DFBGVHRSSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@@H]([NH2+]C[C@](C)(CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000322611070 270093925 /nfs/dbraw/zinc/09/39/25/270093925.db2.gz KVKGHBZRPZVNFK-CABCVRRESA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000324933900 270094864 /nfs/dbraw/zinc/09/48/64/270094864.db2.gz VPWVZFJMRAXNSO-AWEZNQCLSA-N 1 0 262.353 3.306 20 5 CGBDRO CCC[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000521267721 270101544 /nfs/dbraw/zinc/10/15/44/270101544.db2.gz XEWOKVZRUBWRPO-UHFFFAOYSA-N 1 0 293.367 3.044 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(N(C)C)CCC1 ZINC000527102641 270125361 /nfs/dbraw/zinc/12/53/61/270125361.db2.gz AJQBPRGZURLPPZ-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000531439857 270206854 /nfs/dbraw/zinc/20/68/54/270206854.db2.gz AQFMQMZOQKCHTP-QGZVFWFLSA-N 1 0 297.358 3.369 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531973047 270212120 /nfs/dbraw/zinc/21/21/20/270212120.db2.gz IKWKCVBUFBISCQ-SWLSCSKDSA-N 1 0 280.368 3.105 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1COCc2ccccc21 ZINC000418097948 274723598 /nfs/dbraw/zinc/72/35/98/274723598.db2.gz AJKFPKSRQDSGRY-KRWDZBQOSA-N 1 0 298.342 3.264 20 5 CGBDRO CCOCCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433125552 276316803 /nfs/dbraw/zinc/31/68/03/276316803.db2.gz LBYANEFFWDMPCV-OAHLLOKOSA-N 1 0 292.379 3.333 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000354018937 276641545 /nfs/dbraw/zinc/64/15/45/276641545.db2.gz SZIRDLRYFZSZOA-BPNCWPANSA-N 1 0 280.393 3.387 20 5 CGBDRO CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975112 277625951 /nfs/dbraw/zinc/62/59/51/277625951.db2.gz CLKWIOOXHNXAQA-ZIBATOQPSA-N 1 0 292.379 3.330 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000395103083 288005654 /nfs/dbraw/zinc/00/56/54/288005654.db2.gz ALDSXESFRMSKQP-KKFJDGPESA-N 1 0 268.744 3.382 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531728114 288343660 /nfs/dbraw/zinc/34/36/60/288343660.db2.gz AEOYCUZBDVJEOC-HZUKXOBISA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000532489072 288364763 /nfs/dbraw/zinc/36/47/63/288364763.db2.gz IZMPOUXWJUICEU-LBPRGKRZSA-N 1 0 280.368 3.340 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@H]2C2CC2)cc1 ZINC000540302963 288653280 /nfs/dbraw/zinc/65/32/80/288653280.db2.gz VMVHIGSUZMQCGI-HOTGVXAUSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000552086802 289161836 /nfs/dbraw/zinc/16/18/36/289161836.db2.gz QSBJCJIFCXALLQ-BYCMXARLSA-N 1 0 274.364 3.304 20 5 CGBDRO CC(C)[C@H]1CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000552248732 289175079 /nfs/dbraw/zinc/17/50/79/289175079.db2.gz QYWOMYAPUPUXQP-HUUCEWRRSA-N 1 0 262.353 3.162 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000554557469 289292646 /nfs/dbraw/zinc/29/26/46/289292646.db2.gz WTOJEPAPEOETCX-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000414221581 294109618 /nfs/dbraw/zinc/10/96/18/294109618.db2.gz DIYYRLWAMULIEM-WQGACYEGSA-N 1 0 292.379 3.449 20 5 CGBDRO CO[C@H]([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000388236929 327857372 /nfs/dbraw/zinc/85/73/72/327857372.db2.gz PBUFEDRVCPMQQJ-YMTOWFKASA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152876249 321708225 /nfs/dbraw/zinc/70/82/25/321708225.db2.gz SVNGUISPDACWSE-QWRGUYRKSA-N 1 0 280.755 3.480 20 5 CGBDRO CC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000565905490 322096640 /nfs/dbraw/zinc/09/66/40/322096640.db2.gz SAEZSMALIOGFBR-CYBMUJFWSA-N 1 0 260.337 3.362 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCC[C@@H](F)C2)cs1 ZINC000567384407 322161463 /nfs/dbraw/zinc/16/14/63/322161463.db2.gz FWVVOGPAVWDNMP-ZJUUUORDSA-N 1 0 258.318 3.027 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CCC(F)(F)C1)C2 ZINC000568592472 322214861 /nfs/dbraw/zinc/21/48/61/322214861.db2.gz ZOVRAEHYLZGZDK-LLVKDONJSA-N 1 0 296.317 3.388 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000570163214 322266517 /nfs/dbraw/zinc/26/65/17/322266517.db2.gz DHVWIXHSZSZEDI-OCCSQVGLSA-N 1 0 280.368 3.369 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000574555271 322446529 /nfs/dbraw/zinc/44/65/29/322446529.db2.gz DEIIQMFHAGHAQM-CYBMUJFWSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000582296182 328952518 /nfs/dbraw/zinc/95/25/18/328952518.db2.gz XIYWHQRVEJTARH-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000393874176 329091081 /nfs/dbraw/zinc/09/10/81/329091081.db2.gz CRDKZRBTEWQVCN-GWCFXTLKSA-N 1 0 280.393 3.448 20 5 CGBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000383270102 336106815 /nfs/dbraw/zinc/10/68/15/336106815.db2.gz IOJINMGJJOSOGJ-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO CSC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000131552159 533782005 /nfs/dbraw/zinc/78/20/05/533782005.db2.gz BYFRBXXRIAAJSW-QWRGUYRKSA-N 1 0 268.382 3.305 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCCO1 ZINC000449233595 534254200 /nfs/dbraw/zinc/25/42/00/534254200.db2.gz MGZKGXMQBIBONT-DZGCQCFKSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675267 572890350 /nfs/dbraw/zinc/89/03/50/572890350.db2.gz RTKCLJLAWLMCKJ-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163846959 522020507 /nfs/dbraw/zinc/02/05/07/522020507.db2.gz DTVCTBBZILDPNL-VBNZEHGJSA-N 1 0 294.395 3.433 20 5 CGBDRO COc1cc(C[N@H+](C(C)C)C2CC2)c([N+](=O)[O-])cc1F ZINC000184245505 522341106 /nfs/dbraw/zinc/34/11/06/522341106.db2.gz VSUQLPUIVSPQEA-UHFFFAOYSA-N 1 0 282.315 3.115 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168540 523253399 /nfs/dbraw/zinc/25/33/99/523253399.db2.gz GJPKMFIKTVIWLC-LLVKDONJSA-N 1 0 289.335 3.358 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171442 523869920 /nfs/dbraw/zinc/86/99/20/523869920.db2.gz VWOXKYARKAKVFA-JTQLQIEISA-N 1 0 277.324 3.214 20 5 CGBDRO C[NH+](C)C(C)(C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000054613487 524033691 /nfs/dbraw/zinc/03/36/91/524033691.db2.gz VLDUBLYOXZBACT-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO CCC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583601 527755396 /nfs/dbraw/zinc/75/53/96/527755396.db2.gz BQXQFNCSBBDFCV-STQMWFEESA-N 1 0 292.383 3.055 20 5 CGBDRO CC(C)[C@@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155810 528397788 /nfs/dbraw/zinc/39/77/88/528397788.db2.gz MGNVWHRSDUFPHS-QWHCGFSZSA-N 1 0 264.369 3.408 20 5 CGBDRO CC(C)C[C@H](C)C[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000374171506 528460174 /nfs/dbraw/zinc/46/01/74/528460174.db2.gz DDIABRJVXSTMSO-ZDUSSCGKSA-N 1 0 294.399 3.110 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162206406 528832510 /nfs/dbraw/zinc/83/25/10/528832510.db2.gz YBUXFVASZPIWDN-WBMJQRKESA-N 1 0 294.395 3.351 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000162238944 528864476 /nfs/dbraw/zinc/86/44/76/528864476.db2.gz VLQPIJMHBURKFX-JKSUJKDBSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178118552 529011144 /nfs/dbraw/zinc/01/11/44/529011144.db2.gz SERMIMYTMJNKQC-HZPDHXFCSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000414205570 529203213 /nfs/dbraw/zinc/20/32/13/529203213.db2.gz IRMJWTPHBOWEGW-KFWWJZLASA-N 1 0 278.352 3.203 20 5 CGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC(C)(C)C ZINC000726971410 571694902 /nfs/dbraw/zinc/69/49/02/571694902.db2.gz HQPYBGNYLCTZMD-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCOC23CCCCC3)cs1 ZINC000933879557 618365647 /nfs/dbraw/zinc/36/56/47/618365647.db2.gz SAISUVOSZZAITG-LBPRGKRZSA-N 1 0 296.392 3.238 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCSC[C@@H]2C2CC2)c1 ZINC000933916522 618378377 /nfs/dbraw/zinc/37/83/77/618378377.db2.gz SBKLLCTXHMMVKN-OAHLLOKOSA-N 1 0 292.404 3.312 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2CCCCS2)cccc1[N+](=O)[O-] ZINC000158190761 618619583 /nfs/dbraw/zinc/61/95/83/618619583.db2.gz WYEBNTLRTYKBQQ-CYBMUJFWSA-N 1 0 280.393 3.279 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCCF ZINC000310308682 618786000 /nfs/dbraw/zinc/78/60/00/618786000.db2.gz VZAPFBNHWXWWQJ-UHFFFAOYSA-N 1 0 260.696 3.088 20 5 CGBDRO C[C@H]1CC[C@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000310286137 618785959 /nfs/dbraw/zinc/78/59/59/618785959.db2.gz MHGCCJVMOPUQEW-GZMMTYOYSA-N 1 0 299.168 3.245 20 5 CGBDRO CC[NH+](CC)CCSCc1ccc([N+](=O)[O-])c(F)c1 ZINC000094775598 619263194 /nfs/dbraw/zinc/26/31/94/619263194.db2.gz ZNULTWDPXNYHQF-UHFFFAOYSA-N 1 0 286.372 3.309 20 5 CGBDRO Cc1cc(NCC(C)(C)[NH3+])c([N+](=O)[O-])cc1C(F)(F)F ZINC000261696356 619353294 /nfs/dbraw/zinc/35/32/94/619353294.db2.gz SMFHTSGHGZWQIL-UHFFFAOYSA-N 1 0 291.273 3.071 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(F)CC1 ZINC000895545542 619847543 /nfs/dbraw/zinc/84/75/43/619847543.db2.gz GNKLPSQRCBTWIH-UHFFFAOYSA-N 1 0 266.316 3.146 20 5 CGBDRO CO[C@@H]1CC[C@@H](C)[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000895944693 619913691 /nfs/dbraw/zinc/91/36/91/619913691.db2.gz GNOAYYJWJKUBGP-RLWBPUTGSA-N 1 0 290.363 3.107 20 5 CGBDRO COC1(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000897465256 620340624 /nfs/dbraw/zinc/34/06/24/620340624.db2.gz UPFUDYVPGHNECP-ZDUSSCGKSA-N 1 0 292.379 3.247 20 5 CGBDRO Cc1ncsc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897466560 620341004 /nfs/dbraw/zinc/34/10/04/620341004.db2.gz XGUQLZDLICQNOB-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000897953073 620454486 /nfs/dbraw/zinc/45/44/86/620454486.db2.gz MIUUYRKAPSNPGP-IHIAYXSQSA-N 1 0 272.348 3.386 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@@H]4CCC[C@@H]34)nc2c1 ZINC000897958068 620456017 /nfs/dbraw/zinc/45/60/17/620456017.db2.gz GZHQZQSFBFTUPA-MVWJERBFSA-N 1 0 287.319 3.014 20 5 CGBDRO [NH3+]C1(c2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CCCC1 ZINC000041164111 620555186 /nfs/dbraw/zinc/55/51/86/620555186.db2.gz CZOPBKKBYBUUSP-UHFFFAOYSA-N 1 0 289.360 3.446 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927019130 620562578 /nfs/dbraw/zinc/56/25/78/620562578.db2.gz RBAHNOOOHNYCLE-GDBMZVCRSA-N 1 0 292.379 3.113 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000927022415 620563613 /nfs/dbraw/zinc/56/36/13/620563613.db2.gz ACWGDOBDMKIAPQ-TZMCWYRMSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC[C@@H]([NH3+])c1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901393761 620872959 /nfs/dbraw/zinc/87/29/59/620872959.db2.gz CFATWRNCZFRWAP-SNVBAGLBSA-N 1 0 261.281 3.050 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1ccc([N+](=O)[O-])cc1 ZINC000901663814 620972704 /nfs/dbraw/zinc/97/27/04/620972704.db2.gz OWGMQXLPLPOASC-LGTQLRDQSA-N 1 0 290.363 3.203 20 5 CGBDRO CCNc1ccccc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000902425353 621313462 /nfs/dbraw/zinc/31/34/62/621313462.db2.gz MPLDIYYRDPPFJO-UHFFFAOYSA-N 1 0 299.374 3.359 20 5 CGBDRO CNc1ccccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000902576836 621378038 /nfs/dbraw/zinc/37/80/38/621378038.db2.gz XPNZUUKGJMNCEA-LBPRGKRZSA-N 1 0 285.347 3.487 20 5 CGBDRO CCO[C@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000902889740 621487246 /nfs/dbraw/zinc/48/72/46/621487246.db2.gz QBUBEUZHBZFPBG-ZBFHGGJFSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C2CC(C)C2)cc([N+](=O)[O-])c1 ZINC000903126806 621590503 /nfs/dbraw/zinc/59/05/03/621590503.db2.gz UFMUJKUYHBGBCR-YZRBJQDESA-N 1 0 264.325 3.053 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@H](C)SC)cc([N+](=O)[O-])c1 ZINC000903127294 621590735 /nfs/dbraw/zinc/59/07/35/621590735.db2.gz HVJIGHOCBNQDPD-VHSXEESVSA-N 1 0 284.381 3.006 20 5 CGBDRO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903288260 621671783 /nfs/dbraw/zinc/67/17/83/621671783.db2.gz VGOJHTWOHDTROO-TZMCWYRMSA-N 1 0 280.368 3.307 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000226254789 622955763 /nfs/dbraw/zinc/95/57/63/622955763.db2.gz IFOMGNLRZBOADU-JTQLQIEISA-N 1 0 268.744 3.384 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000226254783 622955779 /nfs/dbraw/zinc/95/57/79/622955779.db2.gz IFOMGNLRZBOADU-SNVBAGLBSA-N 1 0 268.744 3.384 20 5 CGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386628 623320942 /nfs/dbraw/zinc/32/09/42/623320942.db2.gz RSKQROZUWXMRCG-SMDDNHRTSA-N 1 0 294.399 3.266 20 5 CGBDRO CC(C)[N@H+](CC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000915207506 623915540 /nfs/dbraw/zinc/91/55/40/623915540.db2.gz AJXSRAUEEJVRAN-UHFFFAOYSA-N 1 0 288.351 3.022 20 5 CGBDRO CCCn1nccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922542750 626011948 /nfs/dbraw/zinc/01/19/48/626011948.db2.gz YEZFVUUPUAQFCP-GFCCVEGCSA-N 1 0 288.351 3.052 20 5 CGBDRO CCC[C@@H](O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922819742 626051554 /nfs/dbraw/zinc/05/15/54/626051554.db2.gz CSJHJIFBBCVUBF-IVOILVROSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000922842856 626056044 /nfs/dbraw/zinc/05/60/44/626056044.db2.gz NPLLBDIHZDKSJP-AAEUAGOBSA-N 1 0 280.393 3.277 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000839148031 626317568 /nfs/dbraw/zinc/31/75/68/626317568.db2.gz VACHFSGVEAUMPQ-BJHJDKERSA-N 1 0 298.770 3.294 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000758749267 626858730 /nfs/dbraw/zinc/85/87/30/626858730.db2.gz VJMPPIWKQIIMJI-CQSZACIVSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761507758 627046799 /nfs/dbraw/zinc/04/67/99/627046799.db2.gz VYLBCUQFWSJANJ-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761512311 627047295 /nfs/dbraw/zinc/04/72/95/627047295.db2.gz QPGGJXYSWNNQPE-VIFPVBQESA-N 1 0 254.717 3.090 20 5 CGBDRO CC[N@H+](CCNCc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000761521380 627047242 /nfs/dbraw/zinc/04/72/42/627047242.db2.gz GKSVUEFRZPMWSY-UHFFFAOYSA-N 1 0 299.802 3.068 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000772346542 627786736 /nfs/dbraw/zinc/78/67/36/627786736.db2.gz OMDAYYZEHAFASP-GWCFXTLKSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1ncc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000773081115 627851744 /nfs/dbraw/zinc/85/17/44/627851744.db2.gz KQYGAIXDHSSSOI-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC=CO1)CCC2 ZINC000774366657 627982291 /nfs/dbraw/zinc/98/22/91/627982291.db2.gz GSMAWOOSUQJPMI-HOCLYGCPSA-N 1 0 288.347 3.255 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582543 628221101 /nfs/dbraw/zinc/22/11/01/628221101.db2.gz VESRHNFNICOZHC-HOTGVXAUSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[NH+](CC)C[C@H](C)NCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783620451 628732391 /nfs/dbraw/zinc/73/23/91/628732391.db2.gz KAXLGMKEDHVNLH-NSHDSACASA-N 1 0 299.802 3.068 20 5 CGBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783640899 628734627 /nfs/dbraw/zinc/73/46/27/628734627.db2.gz LEMVRHHFBIAJPT-JQWIXIFHSA-N 1 0 298.770 3.153 20 5 CGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652732 628735881 /nfs/dbraw/zinc/73/58/81/628735881.db2.gz QAXYHVBBGHCORY-RISCZKNCSA-N 1 0 298.770 3.153 20 5 CGBDRO CCC[C@H](CC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647823 629070812 /nfs/dbraw/zinc/07/08/12/629070812.db2.gz NERRIHBEMXRLIW-JQWIXIFHSA-N 1 0 265.357 3.406 20 5 CGBDRO C[C@@H]([NH2+]CCC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788668855 629071412 /nfs/dbraw/zinc/07/14/12/629071412.db2.gz MMDZPBYIFKZOFD-SNVBAGLBSA-N 1 0 263.341 3.018 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCC[C@H]1c1cccc2ccccc21 ZINC000791052439 629253057 /nfs/dbraw/zinc/25/30/57/629253057.db2.gz NXEACSXLDKBTHL-INIZCTEOSA-N 1 0 270.332 3.253 20 5 CGBDRO Cc1cc([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000793529740 629476358 /nfs/dbraw/zinc/47/63/58/629476358.db2.gz UHSYQZXWULOBDN-NEPJUHHUSA-N 1 0 288.351 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cnn(C[NH+](C3CC3)C3CC3)c2)cc1 ZINC000863303196 629529014 /nfs/dbraw/zinc/52/90/14/629529014.db2.gz VSTWNUAXFICZCQ-UHFFFAOYSA-N 1 0 298.346 3.043 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000801539664 630342165 /nfs/dbraw/zinc/34/21/65/630342165.db2.gz MEEANTOOHIHVPJ-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809707068 630787235 /nfs/dbraw/zinc/78/72/35/630787235.db2.gz QBPKUKWAPNISRU-CMPLNLGQSA-N 1 0 298.770 3.010 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600586 631804822 /nfs/dbraw/zinc/80/48/22/631804822.db2.gz YBQSHOSZDCKYDS-CMPLNLGQSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604279 631804910 /nfs/dbraw/zinc/80/49/10/631804910.db2.gz JOXODRUMUYGHSS-UWVGGRQHSA-N 1 0 263.341 3.016 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815623464 631808045 /nfs/dbraw/zinc/80/80/45/631808045.db2.gz YMLPDWIOWSZFJW-GMXVVIOVSA-N 1 0 277.368 3.264 20 5 CGBDRO COCC1(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000842730109 632782738 /nfs/dbraw/zinc/78/27/38/632782738.db2.gz VGBQBZIVUCCTFH-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)CCc2cccnc2)cccc1[N+](=O)[O-] ZINC000866348508 633091933 /nfs/dbraw/zinc/09/19/33/633091933.db2.gz SEMCZEDFRSRKTO-ZDUSSCGKSA-N 1 0 299.374 3.409 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000866486737 633156859 /nfs/dbraw/zinc/15/68/59/633156859.db2.gz PFWRHLUXUDVTPU-GAFUQQFSSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000866632808 633221529 /nfs/dbraw/zinc/22/15/29/633221529.db2.gz BXFPADMGPYAQPG-AXAPSJFSSA-N 1 0 292.379 3.111 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000831170031 633922427 /nfs/dbraw/zinc/92/24/27/633922427.db2.gz MYSUIQCRXQUXMT-CABCVRRESA-N 1 0 294.395 3.433 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCO1 ZINC000872016105 633936861 /nfs/dbraw/zinc/93/68/61/633936861.db2.gz FAFLFERVOZQOSD-CMPLNLGQSA-N 1 0 296.392 3.146 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017348 633938167 /nfs/dbraw/zinc/93/81/67/633938167.db2.gz ZUAOHSQZYAZGKO-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026967 633947314 /nfs/dbraw/zinc/94/73/14/633947314.db2.gz GWKBEPCTJMQDEM-UTLUCORTSA-N 1 0 252.289 3.041 20 5 CGBDRO CC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872034401 633952468 /nfs/dbraw/zinc/95/24/68/633952468.db2.gz NMYSEVRYZQMVAQ-YGRLFVJLSA-N 1 0 298.408 3.128 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCOC1 ZINC000872034903 633954678 /nfs/dbraw/zinc/95/46/78/633954678.db2.gz RKTKQDXMVWZIMN-GHMZBOCLSA-N 1 0 296.392 3.146 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039200 633959677 /nfs/dbraw/zinc/95/96/77/633959677.db2.gz DBNQCGNUXMPDFA-VXGBXAGGSA-N 1 0 298.358 3.183 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000872053887 633977272 /nfs/dbraw/zinc/97/72/72/633977272.db2.gz NOAAHDMHBLKGND-IPYPFGDCSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872064523 633986072 /nfs/dbraw/zinc/98/60/72/633986072.db2.gz HSQXCVAIGFGBDE-HBNTYKKESA-N 1 0 298.408 3.391 20 5 CGBDRO CO[C@](C)(C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872073396 633995997 /nfs/dbraw/zinc/99/59/97/633995997.db2.gz QJWVHLMWIIRVKN-MEBBXXQBSA-N 1 0 296.342 3.200 20 5 CGBDRO COC1(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872074073 633996834 /nfs/dbraw/zinc/99/68/34/633996834.db2.gz VOMCAWOQNHFFST-NSHDSACASA-N 1 0 296.342 3.344 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124189917 634182295 /nfs/dbraw/zinc/18/22/95/634182295.db2.gz HZGNUFYFZXRASH-KOLCDFICSA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1nccs1 ZINC000873031328 634234061 /nfs/dbraw/zinc/23/40/61/634234061.db2.gz SRCVVLNPULPVFI-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H](C)c1ccccn1 ZINC000873133452 634254209 /nfs/dbraw/zinc/25/42/09/634254209.db2.gz DDILHDKGQUBZKR-CYBMUJFWSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1c(C[NH2+]CC[C@@]2(C)CC2(F)F)cccc1[N+](=O)[O-] ZINC000873137797 634255742 /nfs/dbraw/zinc/25/57/42/634255742.db2.gz HKHKNNXXNNKZAX-ZDUSSCGKSA-N 1 0 284.306 3.428 20 5 CGBDRO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834910504 634284013 /nfs/dbraw/zinc/28/40/13/634284013.db2.gz HYSCLLSLHLRWTD-MGPLVRAMSA-N 1 0 289.379 3.406 20 5 CGBDRO CCC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877086235 634980067 /nfs/dbraw/zinc/98/00/67/634980067.db2.gz VDRSLWNXAGRLIS-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO COC[C@]1(C)CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC000877558767 635090675 /nfs/dbraw/zinc/09/06/75/635090675.db2.gz NAODDLRLLZISJX-MRXNPFEDSA-N 1 0 292.379 3.070 20 5 CGBDRO CC(C)(F)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877663337 635137349 /nfs/dbraw/zinc/13/73/49/635137349.db2.gz PMBDFNLYMNKTGO-UHFFFAOYSA-N 1 0 260.696 3.086 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)c(F)c1 ZINC000877719364 635163869 /nfs/dbraw/zinc/16/38/69/635163869.db2.gz YVPDKLRJOLDBMR-TXEJJXNPSA-N 1 0 276.311 3.132 20 5 CGBDRO COCCCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000841893340 635248357 /nfs/dbraw/zinc/24/83/57/635248357.db2.gz DJEUTWCGVVOPNC-UHFFFAOYSA-N 1 0 286.759 3.107 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000842162275 635301908 /nfs/dbraw/zinc/30/19/08/635301908.db2.gz GOBUYUBOTNPYRV-KKUMJFAQSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000878356259 635473073 /nfs/dbraw/zinc/47/30/73/635473073.db2.gz SKKDIKOTZNKSGJ-SWLSCSKDSA-N 1 0 290.363 3.205 20 5 CGBDRO CC(C)[C@@H]([NH3+])CCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000843056509 635552900 /nfs/dbraw/zinc/55/29/00/635552900.db2.gz ONRNBWDVMNXUAF-AWEZNQCLSA-N 1 0 299.802 3.053 20 5 CGBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843435878 635675917 /nfs/dbraw/zinc/67/59/17/635675917.db2.gz ZHBREEBIWWJDBI-KCJUWKMLSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235647 635947299 /nfs/dbraw/zinc/94/72/99/635947299.db2.gz RBNDAEGRQTZXOU-NEPJUHHUSA-N 1 0 266.316 3.337 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000880315508 635972896 /nfs/dbraw/zinc/97/28/96/635972896.db2.gz NNMMTNAZSMBJMM-LBPRGKRZSA-N 1 0 289.360 3.041 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848518030 636584579 /nfs/dbraw/zinc/58/45/79/636584579.db2.gz GOURNCILBVRHKR-NHYWBVRUSA-N 1 0 286.331 3.396 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000848566243 636609354 /nfs/dbraw/zinc/60/93/54/636609354.db2.gz ZZRTTWASYQBWMO-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1C=CCC1 ZINC000883246032 636613591 /nfs/dbraw/zinc/61/35/91/636613591.db2.gz YIRZXSAIZWNGAS-FZMZJTMJSA-N 1 0 258.321 3.138 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1CCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000883353910 636696311 /nfs/dbraw/zinc/69/63/11/636696311.db2.gz GSVBJZSMJPMMIO-CVEARBPZSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cc1[N+](=O)[O-] ZINC000883365053 636706186 /nfs/dbraw/zinc/70/61/86/636706186.db2.gz SNEOIUKBFSSYOA-AWEZNQCLSA-N 1 0 290.363 3.095 20 5 CGBDRO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883378158 636720115 /nfs/dbraw/zinc/72/01/15/636720115.db2.gz ANSMFFFVVJRHRI-GFCCVEGCSA-N 1 0 290.363 3.205 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1SCCS1 ZINC000850562294 637125740 /nfs/dbraw/zinc/12/57/40/637125740.db2.gz ZPUCKAUDECFIAY-JTQLQIEISA-N 1 0 298.433 3.360 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000885973664 637338992 /nfs/dbraw/zinc/33/89/92/637338992.db2.gz XSMFIXYTVDYYTB-ZDUSSCGKSA-N 1 0 263.341 3.000 20 5 CGBDRO Cc1coc(C[NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)c1 ZINC000886118908 637423607 /nfs/dbraw/zinc/42/36/07/637423607.db2.gz SKMXEZLGSYSTBB-UHFFFAOYSA-N 1 0 299.330 3.310 20 5 CGBDRO CCCC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCC1 ZINC000886124932 637426331 /nfs/dbraw/zinc/42/63/31/637426331.db2.gz DTKCEGDMBPTVGT-AWEZNQCLSA-N 1 0 277.368 3.438 20 5 CGBDRO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140996 637433582 /nfs/dbraw/zinc/43/35/82/637433582.db2.gz UHQNKYLKPHSBFT-YPMHNXCESA-N 1 0 277.368 3.294 20 5 CGBDRO CC1(C2CC2)CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886211061 637458704 /nfs/dbraw/zinc/45/87/04/637458704.db2.gz IPHLMDMRSQXBRG-UHFFFAOYSA-N 1 0 275.352 3.002 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000852592176 637684739 /nfs/dbraw/zinc/68/47/39/637684739.db2.gz IEZGVORQQXPUKN-XJKCOSOUSA-N 1 0 292.379 3.139 20 5 CGBDRO CC(C)([NH2+]CCCc1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000930555034 639024333 /nfs/dbraw/zinc/02/43/33/639024333.db2.gz SCQGVHKQOWVDPU-UHFFFAOYSA-N 1 0 299.374 3.447 20 5 CGBDRO CCO[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000859319367 639128357 /nfs/dbraw/zinc/12/83/57/639128357.db2.gz OJXMQGUQAXQGDH-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000932183448 639288875 /nfs/dbraw/zinc/28/88/75/639288875.db2.gz SAWDGBVZZWMGDN-SCZZXKLOSA-N 1 0 289.162 3.439 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H]1C ZINC000094774744 640802307 /nfs/dbraw/zinc/80/23/07/640802307.db2.gz JPUOODSPAPTRSP-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774839 640802646 /nfs/dbraw/zinc/80/26/46/640802646.db2.gz XJGJWMCWNDGSFS-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774924 640802762 /nfs/dbraw/zinc/80/27/62/640802762.db2.gz PCGFKWCEHWPRNP-ZDUSSCGKSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(Nc2cccc3c2CC[NH2+]C3)cc1 ZINC001159548070 806121308 /nfs/dbraw/zinc/12/13/08/806121308.db2.gz TVMOGIANPQJREB-PKNBQFBNSA-N 1 0 295.342 3.323 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC001254530879 806444233 /nfs/dbraw/zinc/44/42/33/806444233.db2.gz BLFMKXOWXHGAQL-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CCC2 ZINC001254546365 806447497 /nfs/dbraw/zinc/44/74/97/806447497.db2.gz RSTXFRNZKCRAMS-RISCZKNCSA-N 1 0 260.337 3.058 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001254548785 806447696 /nfs/dbraw/zinc/44/76/96/806447696.db2.gz MGSHUJVSAIUKEY-SFDCQRBFSA-N 1 0 274.364 3.304 20 5 CGBDRO CC[N@H+]([C@@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254563082 806450994 /nfs/dbraw/zinc/45/09/94/806450994.db2.gz SXBKFYYHBPTCLX-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254593255 806457019 /nfs/dbraw/zinc/45/70/19/806457019.db2.gz KOQWQRWTNHREJP-WBMJQRKESA-N 1 0 274.364 3.184 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567401 806452798 /nfs/dbraw/zinc/45/27/98/806452798.db2.gz NFGSIRSYXDXHRC-BYCMXARLSA-N 1 0 274.364 3.230 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254574844 806454538 /nfs/dbraw/zinc/45/45/38/806454538.db2.gz LMJXHVXQKDZSJF-DOTOQJQBSA-N 1 0 297.358 3.198 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCCOC(C)C ZINC001161788771 806454664 /nfs/dbraw/zinc/45/46/64/806454664.db2.gz RBEIGGBUNMXNAU-UHFFFAOYSA-N 1 0 265.421 3.120 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254584168 806455367 /nfs/dbraw/zinc/45/53/67/806455367.db2.gz QVRNQBUHVCIZGX-WBMJQRKESA-N 1 0 282.343 3.413 20 5 CGBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604758 806460438 /nfs/dbraw/zinc/46/04/38/806460438.db2.gz XLQWSEXFBGSRSQ-ZFWWWQNUSA-N 1 0 274.364 3.040 20 5 CGBDRO CCCN(CC[NH+](CC)CC)c1cc(C)ccc1[N+](=O)[O-] ZINC001163019474 806693992 /nfs/dbraw/zinc/69/39/92/806693992.db2.gz PHGYWKBCYYXPSC-UHFFFAOYSA-N 1 0 293.411 3.461 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000036785314 798851447 /nfs/dbraw/zinc/85/14/47/798851447.db2.gz LXQZUSHOTARUDT-VIFPVBQESA-N 1 0 268.744 3.479 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCC1 ZINC000706761328 799966156 /nfs/dbraw/zinc/96/61/56/799966156.db2.gz IRLNLDYUQQIZFC-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000711903314 800080249 /nfs/dbraw/zinc/08/02/49/800080249.db2.gz JAICCRGGFHBXIX-LLVKDONJSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716642837 800177750 /nfs/dbraw/zinc/17/77/50/800177750.db2.gz XMNZONWPKPWGHG-QTKMDUPCSA-N 1 0 266.366 3.038 20 5 CGBDRO Cc1c(C[NH2+]C2(C3CC3)CCC2)cccc1[N+](=O)[O-] ZINC000717842775 800206308 /nfs/dbraw/zinc/20/63/08/800206308.db2.gz IQHVXOJQOBPXFJ-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCC2)c(F)c1 ZINC000717855375 800207405 /nfs/dbraw/zinc/20/74/05/800207405.db2.gz QNQOCYHBASJOGB-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000718673241 800219637 /nfs/dbraw/zinc/21/96/37/800219637.db2.gz YEFSVMWJNMUXDG-GFCCVEGCSA-N 1 0 280.368 3.308 20 5 CGBDRO Cc1c(C)n(-c2ncccc2[N+](=O)[O-])c2ccc(C[NH3+])cc12 ZINC001163761233 806819503 /nfs/dbraw/zinc/81/95/03/806819503.db2.gz KBMIFDLGBFGGMI-UHFFFAOYSA-N 1 0 296.330 3.009 20 5 CGBDRO C[C@H](C[NH+](C)C)Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001163787125 806827813 /nfs/dbraw/zinc/82/78/13/806827813.db2.gz YREULURABWTHFH-LLVKDONJSA-N 1 0 273.336 3.110 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@H]1CCCCO1 ZINC000847081592 800509224 /nfs/dbraw/zinc/50/92/24/800509224.db2.gz RNUMYRHPULLJOV-DZGCQCFKSA-N 1 0 296.342 3.171 20 5 CGBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000895330429 800581523 /nfs/dbraw/zinc/58/15/23/800581523.db2.gz PNOUYIPSUSRFQH-JTQLQIEISA-N 1 0 296.367 3.223 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccn1C1CC1 ZINC001117744405 802485900 /nfs/dbraw/zinc/48/59/00/802485900.db2.gz HXPAUIKUWLZDDV-UHFFFAOYSA-N 1 0 299.374 3.406 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H]2CCCC[C@H]2C1 ZINC001119375993 802656719 /nfs/dbraw/zinc/65/67/19/802656719.db2.gz VSXJFMIYEBHROY-STQMWFEESA-N 1 0 275.352 3.002 20 5 CGBDRO CC(C)[N@H+](CC[N+](=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC001167259393 807172123 /nfs/dbraw/zinc/17/21/23/807172123.db2.gz SKZCJSKJXFTHMH-UHFFFAOYSA-N 1 0 290.285 3.193 20 5 CGBDRO CCCCCC[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978775 807546097 /nfs/dbraw/zinc/54/60/97/807546097.db2.gz UDLMGARAMHJRTP-BFHYXJOUSA-N 1 0 256.390 3.380 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1F ZINC001168990319 807547795 /nfs/dbraw/zinc/54/77/95/807547795.db2.gz BOICSZHHMQKSIN-OUAUKWLOSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@@H](c2ccc(F)cc2)C2CC2)C1 ZINC001168988307 807547997 /nfs/dbraw/zinc/54/79/97/807547997.db2.gz QTLZZDKTXSUUBA-IUIKQTSFSA-N 1 0 292.354 3.312 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168994070 807548799 /nfs/dbraw/zinc/54/87/99/807548799.db2.gz OLKBODZADRSXOA-RISCZKNCSA-N 1 0 280.343 3.096 20 5 CGBDRO C[C@H]([NH3+])c1cn([C@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169001166 807549476 /nfs/dbraw/zinc/54/94/76/807549476.db2.gz DCUHGORPWAXLBE-XQQFMLRXSA-N 1 0 287.363 3.279 20 5 CGBDRO CC(C)[N@H+](Cc1ccccc1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169006629 807549848 /nfs/dbraw/zinc/54/98/48/807549848.db2.gz IRORUWUFPFJPRY-HOTGVXAUSA-N 1 0 276.380 3.342 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169005440 807550298 /nfs/dbraw/zinc/55/02/98/807550298.db2.gz UKXMQOFILXHPKE-QEJZJMRPSA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011096 807552125 /nfs/dbraw/zinc/55/21/25/807552125.db2.gz IKEGUWPUUQDOHC-KGLIPLIRSA-N 1 0 266.385 3.088 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccc(F)cc2)C1 ZINC001169011980 807552914 /nfs/dbraw/zinc/55/29/14/807552914.db2.gz OGFWINLEZPWAGT-KCXAZCMYSA-N 1 0 292.354 3.408 20 5 CGBDRO C[N@H+](Cc1ccccc1Cl)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169027819 807553999 /nfs/dbraw/zinc/55/39/99/807553999.db2.gz QUBCKPAYELYQGG-AAEUAGOBSA-N 1 0 282.771 3.217 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030094 807555238 /nfs/dbraw/zinc/55/52/38/807555238.db2.gz WCMAZWKAMHPZOW-MCIONIFRSA-N 1 0 254.374 3.086 20 5 CGBDRO C[N@H+](CCc1cccc(Cl)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036446 807555984 /nfs/dbraw/zinc/55/59/84/807555984.db2.gz OLKJUNZEJPYAMN-ZFWWWQNUSA-N 1 0 296.798 3.260 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038759 807557704 /nfs/dbraw/zinc/55/77/04/807557704.db2.gz KIEUTRUKSITTSB-PWSUYJOCSA-N 1 0 280.755 3.101 20 5 CGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC001169554558 807665979 /nfs/dbraw/zinc/66/59/79/807665979.db2.gz KQYPZQMTGFURKU-KBPBESRZSA-N 1 0 294.399 3.048 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC001170290594 807818181 /nfs/dbraw/zinc/81/81/81/807818181.db2.gz DFHUUQMUGBNMSO-RYUDHWBXSA-N 1 0 280.368 3.169 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328290 807826894 /nfs/dbraw/zinc/82/68/94/807826894.db2.gz IXQRBLOZILYMTN-CHWSQXEVSA-N 1 0 292.379 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC001171334866 808030493 /nfs/dbraw/zinc/03/04/93/808030493.db2.gz KVZZWNBSFXAEEG-LBPRGKRZSA-N 1 0 285.347 3.302 20 5 CGBDRO C[C@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906876 808475915 /nfs/dbraw/zinc/47/59/15/808475915.db2.gz ZDJQUYYCRAJDQF-SWLSCSKDSA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3CC(C3)C1)CC2 ZINC001172918501 808478996 /nfs/dbraw/zinc/47/89/96/808478996.db2.gz BGIKOLZXNVMXNY-SEEARECTSA-N 1 0 286.375 3.184 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCCC1 ZINC001173212232 808537479 /nfs/dbraw/zinc/53/74/79/808537479.db2.gz XYHFLFGIECUSOK-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173209756 808537737 /nfs/dbraw/zinc/53/77/37/808537737.db2.gz FMHGVWRXBXDRDL-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccc(F)cc1 ZINC001173213074 808538522 /nfs/dbraw/zinc/53/85/22/808538522.db2.gz DLBQCBHKQCVVSU-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1 ZINC001173213462 808538928 /nfs/dbraw/zinc/53/89/28/808538928.db2.gz FIHZLZKNTUNCFU-AWEZNQCLSA-N 1 0 284.359 3.358 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC2(CC2)C1 ZINC001173220824 808539712 /nfs/dbraw/zinc/53/97/12/808539712.db2.gz CRPHWHZRHAZPHW-GFCCVEGCSA-N 1 0 260.337 3.012 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC001173220644 808539959 /nfs/dbraw/zinc/53/99/59/808539959.db2.gz BOTKHCGLXSNOIM-IUODEOHRSA-N 1 0 280.343 3.350 20 5 CGBDRO CCCC[N@H+](C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226575 808541271 /nfs/dbraw/zinc/54/12/71/808541271.db2.gz MPQASBANVALEKO-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO CCC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001173224939 808541536 /nfs/dbraw/zinc/54/15/36/808541536.db2.gz PMBUWSFNKSCCPD-LBPRGKRZSA-N 1 0 262.353 3.448 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC001173229957 808543611 /nfs/dbraw/zinc/54/36/11/808543611.db2.gz WMJDMQWXWMTKNY-STQMWFEESA-N 1 0 262.353 3.258 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1cncs1 ZINC001178326198 809860614 /nfs/dbraw/zinc/86/06/14/809860614.db2.gz DIFTYAFYTGBPKV-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO Cc1ccc(Nc2ccnn2-c2cc[nH+]cc2)cc1[N+](=O)[O-] ZINC001213665941 815320534 /nfs/dbraw/zinc/32/05/34/815320534.db2.gz UAFFHRZFDNELBB-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC001191788945 810740684 /nfs/dbraw/zinc/74/06/84/810740684.db2.gz BVFFOCBFGHWEKU-JSGCOSHPSA-N 1 0 294.399 3.000 20 5 CGBDRO Cc1c(C[NH2+][C@@H](CO)CCC(C)(C)C)cccc1[N+](=O)[O-] ZINC001202157472 812025273 /nfs/dbraw/zinc/02/52/73/812025273.db2.gz CRVLREXNKQJIOS-CQSZACIVSA-N 1 0 294.395 3.180 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCCC(C)(C)O2)cc1[N+](=O)[O-] ZINC001203952938 812500069 /nfs/dbraw/zinc/50/00/69/812500069.db2.gz CZGRDVIDZYXGAZ-CQSZACIVSA-N 1 0 292.379 3.341 20 5 CGBDRO Cc1cccc2c1[nH+]c(N)n2-c1cc([N+](=O)[O-])ccc1C ZINC001211284814 814869963 /nfs/dbraw/zinc/86/99/63/814869963.db2.gz NRTAYJQZMDBOLS-UHFFFAOYSA-N 1 0 282.303 3.133 20 5 CGBDRO O=[N+]([O-])c1ccc(CO[C@H]2CCC[NH2+]C2)c2ccccc21 ZINC001217857906 815979624 /nfs/dbraw/zinc/97/96/24/815979624.db2.gz WUGWNQBGULQVEP-ZDUSSCGKSA-N 1 0 286.331 3.017 20 5 CGBDRO c1ccc2nc3cc(O[C@H]4CCC[NH2+]CC4)ccc3nc2c1 ZINC001217995610 816041540 /nfs/dbraw/zinc/04/15/40/816041540.db2.gz QMBOTXARPCXSEM-ZDUSSCGKSA-N 1 0 293.370 3.304 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218068744 816086562 /nfs/dbraw/zinc/08/65/62/816086562.db2.gz FTUISTFHEQFPEX-IAGOWNOFSA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090625 816092213 /nfs/dbraw/zinc/09/22/13/816092213.db2.gz CJDSLLCKRFEVGH-OCCSQVGLSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[C@@]12CC[NH2+]C2 ZINC001218117661 816104784 /nfs/dbraw/zinc/10/47/84/816104784.db2.gz TYQDPYTZCILECD-WBVHZDCISA-N 1 0 298.342 3.269 20 5 CGBDRO Cc1cc(C)c(OC2CC3(C2)CCC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218253252 816142646 /nfs/dbraw/zinc/14/26/46/816142646.db2.gz DAUXWTHCSIBMIB-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3C=CC[NH2+]C3)cc2)c1 ZINC001218336152 816171165 /nfs/dbraw/zinc/17/11/65/816171165.db2.gz ZGEAMNHWBZKTDX-QGZVFWFLSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@H]1CC[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218399780 816192722 /nfs/dbraw/zinc/19/27/22/816192722.db2.gz RRGOCELXJYBDEL-WCQYABFASA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218420092 816206481 /nfs/dbraw/zinc/20/64/81/816206481.db2.gz QZSQCIGJCYYDOW-IAQYHMDHSA-N 1 0 286.331 3.125 20 5 CGBDRO Cc1cccc(O[C@H]2C[NH2+]Cc3ccccc32)c1[N+](=O)[O-] ZINC001218484727 816239358 /nfs/dbraw/zinc/23/93/58/816239358.db2.gz ULHDSWLIILBHLI-HNNXBMFYSA-N 1 0 284.315 3.127 20 5 CGBDRO C[C@H](C[N+](C)(C)C)O[C@@](F)(Cl)c1ccccc1 ZINC001222958842 816541238 /nfs/dbraw/zinc/54/12/38/816541238.db2.gz ZVOBANAVTWLTSU-DGCLKSJQSA-N 1 0 260.760 3.117 20 5 CGBDRO C[C@@H](OC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429437 816628441 /nfs/dbraw/zinc/62/84/41/816628441.db2.gz KMXQYJNRSVHYFE-GFCCVEGCSA-N 1 0 290.363 3.299 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428070 816628501 /nfs/dbraw/zinc/62/85/01/816628501.db2.gz BTRAWLXUFXXMHE-WFASDCNBSA-N 1 0 278.352 3.155 20 5 CGBDRO CC(C)c1ccccc1CO[C@@H](C)C[N+](C)(C)C ZINC001223911959 816702102 /nfs/dbraw/zinc/70/21/02/816702102.db2.gz YXCZOPADFDFSFX-AWEZNQCLSA-N 1 0 250.406 3.421 20 5 CGBDRO C[C@@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020674 816721893 /nfs/dbraw/zinc/72/18/93/816721893.db2.gz ZNUHTOIEKQJYHW-BQDHKBFISA-N 1 0 290.363 3.298 20 5 CGBDRO C[C@@H](OCC1CC[NH+](C)CC1)c1ccccc1[N+](=O)[O-] ZINC001224455441 816807237 /nfs/dbraw/zinc/80/72/37/816807237.db2.gz UDVPPSIVRCIIGH-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCC[C@@H](C)c1ccccc1 ZINC001224995815 816925330 /nfs/dbraw/zinc/92/53/30/816925330.db2.gz XILUFWXXZGMZOO-HUUCEWRRSA-N 1 0 250.406 3.292 20 5 CGBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c2ncccc12 ZINC001225474723 817065178 /nfs/dbraw/zinc/06/51/78/817065178.db2.gz RNIZRABMCDOUTF-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(C(F)(F)F)c1F ZINC001225923315 817218434 /nfs/dbraw/zinc/21/84/34/817218434.db2.gz CGQBRMXZIAPGJS-SECBINFHSA-N 1 0 280.285 3.318 20 5 CGBDRO C[NH+]1CCC(Oc2c3ccccc3ccc2[N+](=O)[O-])CC1 ZINC001227210976 817593567 /nfs/dbraw/zinc/59/35/67/817593567.db2.gz MBNYIXXZDIBPBV-UHFFFAOYSA-N 1 0 286.331 3.221 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001228231128 817845074 /nfs/dbraw/zinc/84/50/74/817845074.db2.gz ZPNDWHCIBFFUPR-ZDUSSCGKSA-N 1 0 278.352 3.073 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc(F)c1Cl ZINC001228432115 817904496 /nfs/dbraw/zinc/90/44/96/817904496.db2.gz DOEDKACWWTVGKS-QMMMGPOBSA-N 1 0 264.723 3.092 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CCC([NH+](C)C)CC1 ZINC001228570377 817940228 /nfs/dbraw/zinc/94/02/28/817940228.db2.gz CFVUOFOBPXXNFD-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1ccc(OC(C)C)cc1O[C@H](C)C[N+](C)(C)C ZINC001228729059 817990279 /nfs/dbraw/zinc/99/02/79/817990279.db2.gz YBPZBWUCSHEGJE-CQSZACIVSA-N 1 0 266.405 3.256 20 5 CGBDRO CC[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001344335471 936530013 /nfs/dbraw/zinc/53/00/13/936530013.db2.gz NNHAKPZAXFIDPW-UHFFFAOYSA-N 1 0 293.367 3.044 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCC(F)F ZINC001352034463 937033051 /nfs/dbraw/zinc/03/30/51/937033051.db2.gz RUBPSVMAQAVPPK-ZZXKWVIFSA-N 1 0 270.279 3.243 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CCC[C@@H](CF)C2)cc1 ZINC001460691801 937540510 /nfs/dbraw/zinc/54/05/10/937540510.db2.gz BERGTDSGEPBVRE-ZDUSSCGKSA-N 1 0 296.342 3.045 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc2nccn21)c1ccc([N+](=O)[O-])cc1 ZINC001461754045 937595818 /nfs/dbraw/zinc/59/58/18/937595818.db2.gz OBTACYCDJBUPFC-GFCCVEGCSA-N 1 0 296.330 3.093 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc(F)c(C)cc1[N+](=O)[O-] ZINC001229895634 932500255 /nfs/dbraw/zinc/50/02/55/932500255.db2.gz SYLSBIWNIYHRFQ-NSHDSACASA-N 1 0 284.331 3.151 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC001307682113 932984998 /nfs/dbraw/zinc/98/49/98/932984998.db2.gz GIPUCPVTRPWJKD-RISCZKNCSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1c(C[N@H+]2C[C@H](C)[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001307850883 933010424 /nfs/dbraw/zinc/01/04/24/933010424.db2.gz AXLHSTRHTFMGRA-LOWVWBTDSA-N 1 0 262.353 3.380 20 5 CGBDRO CCCSC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC001308637796 933148560 /nfs/dbraw/zinc/14/85/60/933148560.db2.gz QUASRGCIVFEWRC-LLVKDONJSA-N 1 0 298.408 3.225 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383919 933865827 /nfs/dbraw/zinc/86/58/27/933865827.db2.gz PAYXOIPCKOCGJR-RCBQFDQVSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(F)F ZINC001474749665 937878738 /nfs/dbraw/zinc/87/87/38/937878738.db2.gz AMQLTAKMWLAMCC-SNVBAGLBSA-N 1 0 272.295 3.161 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC001559656517 938232033 /nfs/dbraw/zinc/23/20/33/938232033.db2.gz QUUJKDGDNBRIJF-GOSISDBHSA-N 1 0 296.370 3.105 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccc([N+](=O)[O-])cc1 ZINC001561003804 938288859 /nfs/dbraw/zinc/28/88/59/938288859.db2.gz GFJAJJAQMPGJJD-UEEZHKSASA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000337424553 214074320 /nfs/dbraw/zinc/07/43/20/214074320.db2.gz RMHRZXCHOVUHRP-BXKDBHETSA-N 1 0 252.289 3.012 20 5 CGBDRO COc1cc(C[NH+]2CCC(C3CC3)CC2)ccc1[N+](=O)[O-] ZINC000590006443 346820923 /nfs/dbraw/zinc/82/09/23/346820923.db2.gz FDZRHTXJNHFWLG-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C2CC2)CC1 ZINC000590008152 346821766 /nfs/dbraw/zinc/82/17/66/346821766.db2.gz GSSYTLJWEJTNIG-UHFFFAOYSA-N 1 0 290.363 3.225 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(C2CC2)CC1 ZINC000590008710 346821785 /nfs/dbraw/zinc/82/17/85/346821785.db2.gz VSJXPXXPRQQIFX-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000125535454 187190030 /nfs/dbraw/zinc/19/00/30/187190030.db2.gz XFNYPBCYCDBAJL-KRWDZBQOSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](C2CCC2)CC1 ZINC000590729898 346870185 /nfs/dbraw/zinc/87/01/85/346870185.db2.gz DKWDLHVBSOJEDR-UHFFFAOYSA-N 1 0 281.381 3.085 20 5 CGBDRO CC1(F)CC([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000590778805 346875091 /nfs/dbraw/zinc/87/50/91/346875091.db2.gz KFFRPGDYTZJXJC-XGTXGMFGSA-N 1 0 278.327 3.452 20 5 CGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCC1 ZINC000449282051 529637362 /nfs/dbraw/zinc/63/73/62/529637362.db2.gz GKMLFGNNYJWDAX-LBPRGKRZSA-N 1 0 288.351 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]3C[C@H]3C1)CCC2 ZINC000591660384 346932270 /nfs/dbraw/zinc/93/22/70/346932270.db2.gz KKMGUSWBVIVHSY-OQMKEHIESA-N 1 0 272.348 3.360 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C ZINC000592179419 346969395 /nfs/dbraw/zinc/96/93/95/346969395.db2.gz PVDHYFGKQRPMFO-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178657590 282962528 /nfs/dbraw/zinc/96/25/28/282962528.db2.gz AJRAOWUNYZLQDG-TZMCWYRMSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CC3(F)F)CC2)c1 ZINC000593078304 347036672 /nfs/dbraw/zinc/03/66/72/347036672.db2.gz ZKHRRCHCJKAEPE-UHFFFAOYSA-N 1 0 282.290 3.216 20 5 CGBDRO Cc1c(C[N@H+]2CCC[C@@H](OC(C)C)C2)cccc1[N+](=O)[O-] ZINC000593054391 347033916 /nfs/dbraw/zinc/03/39/16/347033916.db2.gz CICFLGSXMSXKDS-OAHLLOKOSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000593321529 347063027 /nfs/dbraw/zinc/06/30/27/347063027.db2.gz YOPIRMXDIIZIOA-IUODEOHRSA-N 1 0 297.358 3.282 20 5 CGBDRO C[N@H+](Cc1cccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000042977560 344991488 /nfs/dbraw/zinc/99/14/88/344991488.db2.gz KWLHKPHSGNPQMH-UHFFFAOYSA-N 1 0 262.334 3.288 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCOc2ccccc2[N+](=O)[O-])o1 ZINC000051455255 345090708 /nfs/dbraw/zinc/09/07/08/345090708.db2.gz ODTCCFBUWUZIKN-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO CC(C)C[C@@H](CNc1ccc([N+](=O)[O-])s1)[NH+](C)C ZINC000066410742 345292590 /nfs/dbraw/zinc/29/25/90/345292590.db2.gz NIBXJSINLWUVNP-JTQLQIEISA-N 1 0 271.386 3.045 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000075023031 345491111 /nfs/dbraw/zinc/49/11/11/345491111.db2.gz OSOMXKVNQGWCBL-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000074370965 345467637 /nfs/dbraw/zinc/46/76/37/345467637.db2.gz KDBLLPSGBWZXOM-ZBFHGGJFSA-N 1 0 292.379 3.111 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H](c2ccco2)[NH+](C)C)c1 ZINC000088698738 345763483 /nfs/dbraw/zinc/76/34/83/345763483.db2.gz DPAWACQZTXTOMK-CQSZACIVSA-N 1 0 289.335 3.211 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000096610057 345903054 /nfs/dbraw/zinc/90/30/54/345903054.db2.gz JNSWZFRBAXUBTB-LLVKDONJSA-N 1 0 250.342 3.367 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000116360548 345977550 /nfs/dbraw/zinc/97/75/50/345977550.db2.gz JQTNNCVEOOPSKA-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC=CC1 ZINC000122134853 346003971 /nfs/dbraw/zinc/00/39/71/346003971.db2.gz VECHPDHMROLLTR-LBPRGKRZSA-N 1 0 260.337 3.224 20 5 CGBDRO CCC[NH+](CCC)CCOc1ccccc1[N+](=O)[O-] ZINC000141051466 346107035 /nfs/dbraw/zinc/10/70/35/346107035.db2.gz VYELCPBPHGJCKP-UHFFFAOYSA-N 1 0 266.341 3.096 20 5 CGBDRO C[C@H]([NH2+]CC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000157522471 346162044 /nfs/dbraw/zinc/16/20/44/346162044.db2.gz AQLFAXFQVNPRHT-ZDUSSCGKSA-N 1 0 292.379 3.188 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000403575231 346597141 /nfs/dbraw/zinc/59/71/41/346597141.db2.gz YPNYZWCSQJGAPB-MCIONIFRSA-N 1 0 260.337 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(CNC2(C(F)F)CCCC2)cc1 ZINC000588934186 346776805 /nfs/dbraw/zinc/77/68/05/346776805.db2.gz GLBPCVXLZWSPJL-UHFFFAOYSA-N 1 0 270.279 3.262 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000593715056 347106462 /nfs/dbraw/zinc/10/64/62/347106462.db2.gz JWYPSGAMWQZFHV-NJZAAPMLSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000589496259 346798305 /nfs/dbraw/zinc/79/83/05/346798305.db2.gz BTTBUEVIOYMHDT-LLVKDONJSA-N 1 0 294.351 3.002 20 5 CGBDRO CCC[NH+]1CCC(CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000589568987 346800338 /nfs/dbraw/zinc/80/03/38/346800338.db2.gz NFZMAIAMCGLUAY-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1sccc1[N+](=O)[O-] ZINC000589598927 346801923 /nfs/dbraw/zinc/80/19/23/346801923.db2.gz HSTNICIHHXNFGG-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594045579 347144325 /nfs/dbraw/zinc/14/43/25/347144325.db2.gz ZJPNFGHMOVYGIZ-UKRRQHHQSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594495657 347178788 /nfs/dbraw/zinc/17/87/88/347178788.db2.gz RZQWYUZEUWNUPG-INIZCTEOSA-N 1 0 297.358 3.118 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000594506099 347181470 /nfs/dbraw/zinc/18/14/70/347181470.db2.gz MFMPYSRIALEYLS-SGIREYDYSA-N 1 0 292.379 3.233 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1=CCCC1 ZINC000594991027 347250122 /nfs/dbraw/zinc/25/01/22/347250122.db2.gz XWNZZGQTHSHOJE-WEVVVXLNSA-N 1 0 258.321 3.308 20 5 CGBDRO CC1(C)[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1(F)F ZINC000594992169 347251177 /nfs/dbraw/zinc/25/11/77/347251177.db2.gz PWBFJZBKQFMQSD-MRVPVSSYSA-N 1 0 276.308 3.037 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289057 347286585 /nfs/dbraw/zinc/28/65/85/347286585.db2.gz CXYKQPIRVPDFNN-SNVBAGLBSA-N 1 0 278.327 3.497 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2CC(C)(C)C)c1[N+](=O)[O-] ZINC000595297115 347288170 /nfs/dbraw/zinc/28/81/70/347288170.db2.gz POJQAOFGMCZZLL-LLVKDONJSA-N 1 0 281.356 3.292 20 5 CGBDRO CCC(CC)[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595308204 347289912 /nfs/dbraw/zinc/28/99/12/347289912.db2.gz FUVNQQNRUJSOTH-UHFFFAOYSA-N 1 0 267.329 3.044 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000595327979 347291884 /nfs/dbraw/zinc/29/18/84/347291884.db2.gz SWATYHCNEJFCJZ-RISCZKNCSA-N 1 0 278.327 3.498 20 5 CGBDRO CCC[C@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331987 347293197 /nfs/dbraw/zinc/29/31/97/347293197.db2.gz AQBXJSBBBQPCGX-CQSZACIVSA-N 1 0 281.356 3.293 20 5 CGBDRO Cc1noc(C[N@@H+](C(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000595364407 347296439 /nfs/dbraw/zinc/29/64/39/347296439.db2.gz PDFKPHKHUTWRCB-UHFFFAOYSA-N 1 0 267.329 3.044 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000595013412 347257023 /nfs/dbraw/zinc/25/70/23/347257023.db2.gz QVAYBJKLYVYIKM-DZGCQCFKSA-N 1 0 290.363 3.347 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCSCC2)cc1 ZINC000595012877 347257276 /nfs/dbraw/zinc/25/72/76/347257276.db2.gz PTBJOHFCPJTCMA-CYBMUJFWSA-N 1 0 280.393 3.013 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCSCC2)cc1 ZINC000595012878 347257511 /nfs/dbraw/zinc/25/75/11/347257511.db2.gz PTBJOHFCPJTCMA-ZDUSSCGKSA-N 1 0 280.393 3.013 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595042245 347267247 /nfs/dbraw/zinc/26/72/47/347267247.db2.gz RMDJFZRKOLDOSH-UTUOFQBUSA-N 1 0 278.352 3.300 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000595593047 347322897 /nfs/dbraw/zinc/32/28/97/347322897.db2.gz MPOBSFGDOBWFJG-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2CCCC23CCCCC3)c1[N+](=O)[O-] ZINC000595604240 347324905 /nfs/dbraw/zinc/32/49/05/347324905.db2.gz LLYPYDNCTTZCOE-CYBMUJFWSA-N 1 0 293.367 3.484 20 5 CGBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000595641418 347331784 /nfs/dbraw/zinc/33/17/84/347331784.db2.gz LVDDFQYHCHTKMF-SNVBAGLBSA-N 1 0 290.367 3.385 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000595765772 347353232 /nfs/dbraw/zinc/35/32/32/347353232.db2.gz NZFKCFDZINHDLG-LBPRGKRZSA-N 1 0 252.289 3.012 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595433797 347302931 /nfs/dbraw/zinc/30/29/31/347302931.db2.gz UFPDJLQBMMEGAZ-LLVKDONJSA-N 1 0 267.329 3.046 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456454 347305832 /nfs/dbraw/zinc/30/58/32/347305832.db2.gz XVNVXTYVWWCWRZ-MFKMUULPSA-N 1 0 266.316 3.402 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483060 347309990 /nfs/dbraw/zinc/30/99/90/347309990.db2.gz FDWRHYCYOQDXPS-TZMCWYRMSA-N 1 0 298.383 3.498 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)c2c1 ZINC000597131600 347538144 /nfs/dbraw/zinc/53/81/44/347538144.db2.gz BPFLGJMVACYXDI-DIOULYMOSA-N 1 0 299.374 3.397 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000597221554 347556805 /nfs/dbraw/zinc/55/68/05/347556805.db2.gz RCQRQPXAWRINOK-YYWXWVFPSA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000598954739 347700763 /nfs/dbraw/zinc/70/07/63/347700763.db2.gz GHHBSMFBMCMNDS-GXTWGEPZSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056620 347711910 /nfs/dbraw/zinc/71/19/10/347711910.db2.gz KUCFKSDCJJHTDI-CHWSQXEVSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599059501 347712145 /nfs/dbraw/zinc/71/21/45/347712145.db2.gz XWDZRNSQFIHNNW-UONOGXRCSA-N 1 0 292.379 3.371 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062307 347712951 /nfs/dbraw/zinc/71/29/51/347712951.db2.gz URFJJEYROQYYLO-SWLSCSKDSA-N 1 0 280.368 3.451 20 5 CGBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599068306 347713878 /nfs/dbraw/zinc/71/38/78/347713878.db2.gz MJMIIMFLEYYHFW-JSGCOSHPSA-N 1 0 280.368 3.043 20 5 CGBDRO C/C=C/C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000599083049 347715751 /nfs/dbraw/zinc/71/57/51/347715751.db2.gz NWUKJCQJWNDBBS-BAABZTOOSA-N 1 0 260.337 3.082 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000599675514 347764268 /nfs/dbraw/zinc/76/42/68/347764268.db2.gz QDVABEFOWRRYBY-WFASDCNBSA-N 1 0 278.327 3.498 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000600191903 347791899 /nfs/dbraw/zinc/79/18/99/347791899.db2.gz XTRFZSCOECKRHP-KGLIPLIRSA-N 1 0 292.404 3.373 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3ncccc32)cc1 ZINC000601267255 347886670 /nfs/dbraw/zinc/88/66/70/347886670.db2.gz JAWJRRMABPOTQB-KRWDZBQOSA-N 1 0 297.358 3.200 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601306453 347890555 /nfs/dbraw/zinc/89/05/55/347890555.db2.gz IXRDKBTZJOEXCC-OUAUKWLOSA-N 1 0 286.253 3.123 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)[C@@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000602020190 347933991 /nfs/dbraw/zinc/93/39/91/347933991.db2.gz LCSRWBSNLPJVLH-KOLCDFICSA-N 1 0 270.279 3.037 20 5 CGBDRO CCCCC[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783787 348028054 /nfs/dbraw/zinc/02/80/54/348028054.db2.gz MIYWIURYPYLQNP-AWEZNQCLSA-N 1 0 294.399 3.144 20 5 CGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602637566 347998467 /nfs/dbraw/zinc/99/84/67/347998467.db2.gz FRMORTZPLWHNAX-GHMZBOCLSA-N 1 0 289.335 3.262 20 5 CGBDRO CC(C)[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012219 348106543 /nfs/dbraw/zinc/10/65/43/348106543.db2.gz NQNCJXXNFRXBAE-CYBMUJFWSA-N 1 0 280.368 3.340 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccsc1 ZINC000604432619 348120304 /nfs/dbraw/zinc/12/03/04/348120304.db2.gz DCKBLSMUNBTVHF-LLVKDONJSA-N 1 0 297.405 3.433 20 5 CGBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000603553599 348089441 /nfs/dbraw/zinc/08/94/41/348089441.db2.gz IGIOEUHDNGDZQH-NSHDSACASA-N 1 0 250.342 3.461 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCOC1 ZINC000609705529 348351432 /nfs/dbraw/zinc/35/14/32/348351432.db2.gz RMFCYLHXKPSCAO-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccccc1N(C)C ZINC000273375754 192130343 /nfs/dbraw/zinc/13/03/43/192130343.db2.gz GOSNCRFYCNNWGW-UHFFFAOYSA-N 1 0 299.374 3.259 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000611337329 348438592 /nfs/dbraw/zinc/43/85/92/348438592.db2.gz QOGKBOBUKFEQIQ-ZDUSSCGKSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000611407521 348447554 /nfs/dbraw/zinc/44/75/54/348447554.db2.gz LTBSUMPJHGUPTO-GFCCVEGCSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC1(C)C ZINC000611468930 348454258 /nfs/dbraw/zinc/45/42/58/348454258.db2.gz VGXKOVICLGTDQT-BXUZGUMPSA-N 1 0 262.353 3.304 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)C)ccc1[N+](=O)[O-] ZINC000351983659 219274649 /nfs/dbraw/zinc/27/46/49/219274649.db2.gz IOMRZCALENUGBN-CYBMUJFWSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1cncc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000358313787 233105665 /nfs/dbraw/zinc/10/56/65/233105665.db2.gz VIOUTMDHMJGBQA-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000119931541 186863123 /nfs/dbraw/zinc/86/31/23/186863123.db2.gz HSCAAWLFXVOJMZ-CABCVRRESA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122830919 187054498 /nfs/dbraw/zinc/05/44/98/187054498.db2.gz RAJLZVCDTBNNJV-GXSJLCMTSA-N 1 0 295.770 3.285 20 5 CGBDRO CCC[N@H+](C)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122990771 187064356 /nfs/dbraw/zinc/06/43/56/187064356.db2.gz LRZLXGOBNUYGFQ-UHFFFAOYSA-N 1 0 287.157 3.199 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)CCCO)cccc1[N+](=O)[O-] ZINC000271496421 191175188 /nfs/dbraw/zinc/17/51/88/191175188.db2.gz KZOCIXKUNQRQCA-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271568780 191218808 /nfs/dbraw/zinc/21/88/08/191218808.db2.gz YFKHWWWRZQZHEK-GXTWGEPZSA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000271598098 191233420 /nfs/dbraw/zinc/23/34/20/191233420.db2.gz UVOZEBRSJGJEOE-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)OCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000292162731 198187787 /nfs/dbraw/zinc/18/77/87/198187787.db2.gz ORJZNBSZRCPJEE-UHFFFAOYSA-N 1 0 280.368 3.235 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152471456 188021223 /nfs/dbraw/zinc/02/12/23/188021223.db2.gz DIYRAZWFYQWGCR-UONOGXRCSA-N 1 0 294.395 3.353 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC)cc1[N+](=O)[O-] ZINC000152551760 188028161 /nfs/dbraw/zinc/02/81/61/188028161.db2.gz ZWQZNJFMVGWCRP-GHMZBOCLSA-N 1 0 266.341 3.443 20 5 CGBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)C ZINC000153112066 188065393 /nfs/dbraw/zinc/06/53/93/188065393.db2.gz XBWCATFFTZNBLN-UHFFFAOYSA-N 1 0 289.335 3.480 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352403529 219443119 /nfs/dbraw/zinc/44/31/19/219443119.db2.gz VWZYOINVNATMSQ-AMIZOPFISA-N 1 0 270.279 3.151 20 5 CGBDRO Cc1cc(NCCCC[N@@H+](C)C2CC2)c(F)cc1[N+](=O)[O-] ZINC000413350296 235271717 /nfs/dbraw/zinc/27/17/17/235271717.db2.gz WAKSYQCOXDYACT-UHFFFAOYSA-N 1 0 295.358 3.329 20 5 CGBDRO COC1([C@H](C)[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000414311129 235385367 /nfs/dbraw/zinc/38/53/67/235385367.db2.gz IECLBSUNAWWURI-NEPJUHHUSA-N 1 0 278.352 3.203 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000293798808 198777056 /nfs/dbraw/zinc/77/70/56/198777056.db2.gz UWOAJISMXFNJTN-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H]([NH2+]CC1(C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294593511 199100127 /nfs/dbraw/zinc/10/01/27/199100127.db2.gz CXDMHUHCCMBGIY-SNVBAGLBSA-N 1 0 275.352 3.018 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2cccc(O)c2C1)c1ccccc1[N+](=O)[O-] ZINC000429306506 236487864 /nfs/dbraw/zinc/48/78/64/236487864.db2.gz MGGXSIMOEHRROO-AAEUAGOBSA-N 1 0 298.342 3.118 20 5 CGBDRO C[C@H]([NH2+]CCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000296866198 200020616 /nfs/dbraw/zinc/02/06/16/200020616.db2.gz ZFGRPSKUNUKLCE-NSHDSACASA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC(F)(F)CC1 ZINC000341711961 216074131 /nfs/dbraw/zinc/07/41/31/216074131.db2.gz KTDXVIRZZOBERJ-UHFFFAOYSA-N 1 0 270.279 3.262 20 5 CGBDRO CC[C@H]([NH2+]C/C=C/Cl)c1cccc([N+](=O)[O-])c1 ZINC000181560889 189301192 /nfs/dbraw/zinc/30/11/92/189301192.db2.gz IFKWWVOEOWBJMI-NTYUQYKDSA-N 1 0 254.717 3.388 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000181813266 189307479 /nfs/dbraw/zinc/30/74/79/189307479.db2.gz FXBGWFKJJYHULS-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301984747 201287265 /nfs/dbraw/zinc/28/72/65/201287265.db2.gz CEGHJJIJCQHJST-LBPRGKRZSA-N 1 0 295.408 3.333 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1sccc1[N+](=O)[O-] ZINC000302031655 201309223 /nfs/dbraw/zinc/30/92/23/201309223.db2.gz SHOWZJOTNNTQFM-LLVKDONJSA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccnc1 ZINC000449066484 239155543 /nfs/dbraw/zinc/15/55/43/239155543.db2.gz CEYSESQKTDGMRA-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1ncsc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449126951 239194648 /nfs/dbraw/zinc/19/46/48/239194648.db2.gz NYWCHNMQTYKYQK-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC1(C)C ZINC000449148008 239204248 /nfs/dbraw/zinc/20/42/48/239204248.db2.gz SDVMVPLTVGOFAK-DGCLKSJQSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC000449215115 239248947 /nfs/dbraw/zinc/24/89/47/239248947.db2.gz ZQQRTRJKUCZUOV-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC1(F)CCC1 ZINC000449330296 239318896 /nfs/dbraw/zinc/31/88/96/239318896.db2.gz KYZGOBRCPXPXDZ-GFCCVEGCSA-N 1 0 280.343 3.398 20 5 CGBDRO COC1(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449338174 239325878 /nfs/dbraw/zinc/32/58/78/239325878.db2.gz FNJCHJZAIMPDKS-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000453419882 240930746 /nfs/dbraw/zinc/93/07/46/240930746.db2.gz WZYRQTFPCQHHDU-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000120984478 370819387 /nfs/dbraw/zinc/81/93/87/370819387.db2.gz BYRYBVKNWTWOQL-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191656476 283934953 /nfs/dbraw/zinc/93/49/53/283934953.db2.gz KRVZRIQWWBQRDJ-ZOWXZIJZSA-N 1 0 280.368 3.449 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCF ZINC000462821997 242366792 /nfs/dbraw/zinc/36/67/92/242366792.db2.gz MYCNNLVVALKTIE-GFCCVEGCSA-N 1 0 268.332 3.255 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000479550737 243110804 /nfs/dbraw/zinc/11/08/04/243110804.db2.gz BXQJJLDSKKNHBE-GXTWGEPZSA-N 1 0 294.395 3.433 20 5 CGBDRO CCN(Cc1ccccn1)Cc1cccc([N+](=O)[O-])c1C ZINC000125343123 370936072 /nfs/dbraw/zinc/93/60/72/370936072.db2.gz VUDVHIIIZQLSOY-UHFFFAOYSA-N 1 0 285.347 3.320 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000034994910 368988025 /nfs/dbraw/zinc/98/80/25/368988025.db2.gz HAVCEGQNQZGLPJ-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562625 369088689 /nfs/dbraw/zinc/08/86/89/369088689.db2.gz JLOALPHZVNNLOJ-JTQLQIEISA-N 1 0 280.349 3.360 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC=CCC2)cs1 ZINC000045629253 369282476 /nfs/dbraw/zinc/28/24/76/369282476.db2.gz VQGIPMRQWOWWKX-SNVBAGLBSA-N 1 0 252.339 3.102 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000049963380 369425307 /nfs/dbraw/zinc/42/53/07/369425307.db2.gz KUXZJNAYFZXWBI-MRVPVSSYSA-N 1 0 254.717 3.136 20 5 CGBDRO COc1ccc(C[N@H+](C)C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000050988759 369446699 /nfs/dbraw/zinc/44/66/99/369446699.db2.gz NJEPADRDGWWIHP-UHFFFAOYSA-N 1 0 290.363 3.224 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000219220900 376196358 /nfs/dbraw/zinc/19/63/58/376196358.db2.gz PJAURADZLNSHJX-YGRLFVJLSA-N 1 0 292.360 3.041 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc(C)c([N+](=O)[O-])cn1 ZINC000073000231 369848035 /nfs/dbraw/zinc/84/80/35/369848035.db2.gz ZNNYGEPGZZDYJQ-ZDUSSCGKSA-N 1 0 294.399 3.221 20 5 CGBDRO CCCC(C)(C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000102794242 370310440 /nfs/dbraw/zinc/31/04/40/370310440.db2.gz JBWCFUIRVXTGJM-UHFFFAOYSA-N 1 0 266.341 3.272 20 5 CGBDRO C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000511713404 245002219 /nfs/dbraw/zinc/00/22/19/245002219.db2.gz QEIUENGSZMUEEF-MGPQQGTHSA-N 1 0 291.395 3.373 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000131577786 371117771 /nfs/dbraw/zinc/11/77/71/371117771.db2.gz NTOUDQAQGMICGY-GWCFXTLKSA-N 1 0 268.382 3.387 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cncs2)cc1[N+](=O)[O-] ZINC000133122828 371229009 /nfs/dbraw/zinc/22/90/09/371229009.db2.gz JAPOBPYLJIPZNX-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO C[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000134376546 371328616 /nfs/dbraw/zinc/32/86/16/371328616.db2.gz OQEAKNBMVQFCRH-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000135476618 371430561 /nfs/dbraw/zinc/43/05/61/371430561.db2.gz RXHBMBFAMFBBNU-GFCCVEGCSA-N 1 0 284.356 3.061 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000135476351 371430766 /nfs/dbraw/zinc/43/07/66/371430766.db2.gz RDRNUWCSFYLIJR-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO CC[C@H]([NH2+]CCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000421850062 371672710 /nfs/dbraw/zinc/67/27/10/371672710.db2.gz CREACRHKSCGBAH-HNNXBMFYSA-N 1 0 292.379 3.331 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287445201 371658563 /nfs/dbraw/zinc/65/85/63/371658563.db2.gz LCXNHBNLDBMALU-NOLJZWGESA-N 1 0 292.379 3.308 20 5 CGBDRO COCC(C)(C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000426082523 372149747 /nfs/dbraw/zinc/14/97/47/372149747.db2.gz ZCEXASXNZFDUCP-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCSC1 ZINC000159658834 372166610 /nfs/dbraw/zinc/16/66/10/372166610.db2.gz ROQQXNQUEUOHTM-JSGCOSHPSA-N 1 0 294.420 3.401 20 5 CGBDRO Cc1cc(N[C@@H](C)C2=CC[N@H+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000292783366 372209660 /nfs/dbraw/zinc/20/96/60/372209660.db2.gz XNPOZUVBLMNKLW-NSHDSACASA-N 1 0 293.342 3.105 20 5 CGBDRO C[C@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000344260694 217123450 /nfs/dbraw/zinc/12/34/50/217123450.db2.gz FUOXQEHEGIWMMN-RYUDHWBXSA-N 1 0 296.342 3.029 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344322029 217149167 /nfs/dbraw/zinc/14/91/67/217149167.db2.gz FENAGAJAROUHQF-SMDDNHRTSA-N 1 0 298.770 3.153 20 5 CGBDRO COC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000165914630 372557911 /nfs/dbraw/zinc/55/79/11/372557911.db2.gz MBRLVIDNOXTZST-WFASDCNBSA-N 1 0 280.368 3.225 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000165117099 372543898 /nfs/dbraw/zinc/54/38/98/372543898.db2.gz UIJUUGVDNSRLEX-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCCCO ZINC000435058190 372731253 /nfs/dbraw/zinc/73/12/53/372731253.db2.gz TUVPIMGDWDLWEI-SDNWHVSQSA-N 1 0 292.379 3.093 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344595587 217242431 /nfs/dbraw/zinc/24/24/31/217242431.db2.gz VGDIWVFJJWOFKM-JSGCOSHPSA-N 1 0 292.379 3.233 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CCOCC1 ZINC000171825850 372834847 /nfs/dbraw/zinc/83/48/47/372834847.db2.gz YXANFNOMRDEXID-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)nc1 ZINC000344853138 217335101 /nfs/dbraw/zinc/33/51/01/217335101.db2.gz CEYCXRKOEJBSSZ-MDWZMJQESA-N 1 0 297.358 3.491 20 5 CGBDRO CCC1([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CC1 ZINC000296435457 373133251 /nfs/dbraw/zinc/13/32/51/373133251.db2.gz MBWOQBGLBDFOJL-LBPRGKRZSA-N 1 0 262.353 3.448 20 5 CGBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173458614 373144615 /nfs/dbraw/zinc/14/46/15/373144615.db2.gz WMFKBSHVCHDZET-ZDUSSCGKSA-N 1 0 294.395 3.434 20 5 CGBDRO COC[C@]1(C)CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296702225 373222523 /nfs/dbraw/zinc/22/25/23/373222523.db2.gz MMVRFUFRZFWPAP-CZUORRHYSA-N 1 0 292.379 3.323 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1F)c1ccco1 ZINC000298439709 373330019 /nfs/dbraw/zinc/33/00/19/373330019.db2.gz BTQFHVIXHHBKHX-CYBMUJFWSA-N 1 0 293.298 3.042 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000174555150 373336802 /nfs/dbraw/zinc/33/68/02/373336802.db2.gz SUOMYYVXBDLBSG-BUUCAEBMSA-N 1 0 292.379 3.401 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccoc1 ZINC000539052841 288600905 /nfs/dbraw/zinc/60/09/05/288600905.db2.gz LOBAORNTOLXTLY-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO CCC[C@]1(COC)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000447080101 373400242 /nfs/dbraw/zinc/40/02/42/373400242.db2.gz SMEJGPGTRQXXKQ-MRXNPFEDSA-N 1 0 292.379 3.376 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCS1 ZINC000345043365 217395009 /nfs/dbraw/zinc/39/50/09/217395009.db2.gz HQWIMNRZZSRVPJ-JQVXPOPVSA-N 1 0 292.404 3.483 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000301127856 373669572 /nfs/dbraw/zinc/66/95/72/373669572.db2.gz XSEPABGYRXAZSA-NEPJUHHUSA-N 1 0 295.358 3.266 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301211069 373692786 /nfs/dbraw/zinc/69/27/86/373692786.db2.gz WPHOLLYPUDHZAP-LBPRGKRZSA-N 1 0 293.342 3.163 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H]1C1CC1 ZINC000449425571 373698594 /nfs/dbraw/zinc/69/85/94/373698594.db2.gz HVWLEPXSWUATJQ-YHVDPYDOSA-N 1 0 272.348 3.482 20 5 CGBDRO C[C@@H](Nc1ccc(F)cc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000301342134 373751798 /nfs/dbraw/zinc/75/17/98/373751798.db2.gz IZGGQDFJXRPELK-SNVBAGLBSA-N 1 0 283.347 3.122 20 5 CGBDRO Cc1cccc(N[C@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000302471469 373874960 /nfs/dbraw/zinc/87/49/60/373874960.db2.gz CYJFLWXVWZGYEU-GFCCVEGCSA-N 1 0 279.384 3.291 20 5 CGBDRO Cc1cccc(N[C@@H](C)C(C)(C)C[NH+](C)C)c1[N+](=O)[O-] ZINC000302471476 373875416 /nfs/dbraw/zinc/87/54/16/373875416.db2.gz CYJFLWXVWZGYEU-LBPRGKRZSA-N 1 0 279.384 3.291 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000302773297 373958028 /nfs/dbraw/zinc/95/80/28/373958028.db2.gz NTOVLLQFCXBRPO-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181523310 374135539 /nfs/dbraw/zinc/13/55/39/374135539.db2.gz DQFRQHFGCMTOBX-HIFRSBDPSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CO)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000181523289 374136301 /nfs/dbraw/zinc/13/63/01/374136301.db2.gz DQFRQHFGCMTOBX-DZGCQCFKSA-N 1 0 294.395 3.433 20 5 CGBDRO CC(C)[NH+]1CCC(N(C)c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000248049728 189944850 /nfs/dbraw/zinc/94/48/50/189944850.db2.gz NDXANPYNGKKSJN-UHFFFAOYSA-N 1 0 295.358 3.043 20 5 CGBDRO CCC(C)(C)OCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000308759533 374177251 /nfs/dbraw/zinc/17/72/51/374177251.db2.gz XIZXNZLBGKWIIG-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000452076435 374225986 /nfs/dbraw/zinc/22/59/86/374225986.db2.gz DZBNUHSBNXDWSB-KGLIPLIRSA-N 1 0 292.379 3.404 20 5 CGBDRO CC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330362 374259102 /nfs/dbraw/zinc/25/91/02/374259102.db2.gz RHTAPYLLLDJMTL-SECBINFHSA-N 1 0 256.733 3.479 20 5 CGBDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311851955 374260345 /nfs/dbraw/zinc/26/03/45/374260345.db2.gz ISQMRJYJZVSTHK-QWRGUYRKSA-N 1 0 266.316 3.260 20 5 CGBDRO Cc1cc(NCCC2CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000313948093 374310582 /nfs/dbraw/zinc/31/05/82/374310582.db2.gz GMDNVVMURIUSMW-UHFFFAOYSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C(C)C)C2CC2)cccc1[N+](=O)[O-] ZINC000324417333 374357032 /nfs/dbraw/zinc/35/70/32/374357032.db2.gz RKCAYZSOPHRXBO-HNNXBMFYSA-N 1 0 262.353 3.427 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000453347166 374436911 /nfs/dbraw/zinc/43/69/11/374436911.db2.gz FCIJAQPSVAGNIX-IVMMDQJWSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331009812 374495912 /nfs/dbraw/zinc/49/59/12/374495912.db2.gz MXZGDVCPNAVARG-ZDUSSCGKSA-N 1 0 294.399 3.119 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453415233 374475066 /nfs/dbraw/zinc/47/50/66/374475066.db2.gz UCPKVXNBIHPXTO-IPYPFGDCSA-N 1 0 292.379 3.073 20 5 CGBDRO C/C=C/C[C@@H](CO)[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186504136 374864369 /nfs/dbraw/zinc/86/43/69/374864369.db2.gz JMXJZJZGNJYJCV-WGFVLNOWSA-N 1 0 292.379 3.353 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188689883 375254383 /nfs/dbraw/zinc/25/43/83/375254383.db2.gz WRSZICWMERLLNZ-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000190688426 375529920 /nfs/dbraw/zinc/52/99/20/375529920.db2.gz CKJCXPIZGTUHMZ-DIECRNLCSA-N 1 0 292.404 3.435 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336815886 375971180 /nfs/dbraw/zinc/97/11/80/375971180.db2.gz JNPFXKZPVQQDAK-ORHYLEIMSA-N 1 0 260.337 3.263 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336794131 375944050 /nfs/dbraw/zinc/94/40/50/375944050.db2.gz ZUYWQNLWQLHDMF-LLVKDONJSA-N 1 0 252.289 3.108 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537092735 376147732 /nfs/dbraw/zinc/14/77/32/376147732.db2.gz GXMSCVXEFYWNCO-DVOMOZLQSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2cc[nH]c21 ZINC000218143321 376185195 /nfs/dbraw/zinc/18/51/95/376185195.db2.gz YBTDMTYDPKPOQO-UHFFFAOYSA-N 1 0 281.315 3.366 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000223515077 376255824 /nfs/dbraw/zinc/25/58/24/376255824.db2.gz JKWLPFLQZDSFHR-LSDHHAIUSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000223928889 376267750 /nfs/dbraw/zinc/26/77/50/376267750.db2.gz NUJLQKSFRNCRRM-QMTHXVAHSA-N 1 0 292.360 3.041 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889586 376417044 /nfs/dbraw/zinc/41/70/44/376417044.db2.gz ILXIVMYLEHFHLC-VIFPVBQESA-N 1 0 287.310 3.015 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000226761058 376371631 /nfs/dbraw/zinc/37/16/31/376371631.db2.gz ICFQDWPUAWTNEK-TUKIKUTGSA-N 1 0 292.379 3.449 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000231665552 376564810 /nfs/dbraw/zinc/56/48/10/376564810.db2.gz SJEVCSHIAQHZEC-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000543435161 376642209 /nfs/dbraw/zinc/64/22/09/376642209.db2.gz IXTWQDBTUZWUEE-CYBMUJFWSA-N 1 0 291.395 3.070 20 5 CGBDRO [NH3+]CCCCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000236213901 376660800 /nfs/dbraw/zinc/66/08/00/376660800.db2.gz QDTFDGSYYVTCOQ-UHFFFAOYSA-N 1 0 278.139 3.052 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000246510731 377044571 /nfs/dbraw/zinc/04/45/71/377044571.db2.gz BHBJALOQHOALAZ-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795026 249029799 /nfs/dbraw/zinc/02/97/99/249029799.db2.gz FPMFOTBLMDQZTG-MWLCHTKSSA-N 1 0 283.759 3.143 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000518999647 249291249 /nfs/dbraw/zinc/29/12/49/249291249.db2.gz IQUQXIIQOFCRIM-HZSPNIEDSA-N 1 0 284.315 3.321 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccn1C ZINC000574458262 377665764 /nfs/dbraw/zinc/66/57/64/377665764.db2.gz APZSIUUCVZMEQX-LBPRGKRZSA-N 1 0 273.336 3.093 20 5 CGBDRO Cc1cc(NC[C@H]2[NH2+]CCc3ccccc32)ccc1[N+](=O)[O-] ZINC000262578490 377902156 /nfs/dbraw/zinc/90/21/56/377902156.db2.gz YOVPFNRRUSCBSO-MRXNPFEDSA-N 1 0 297.358 3.202 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC2(O)CCCCC2)cccc1[N+](=O)[O-] ZINC000268839811 378129206 /nfs/dbraw/zinc/12/92/06/378129206.db2.gz OKFFVISTIUJZLT-ZDUSSCGKSA-N 1 0 292.379 3.249 20 5 CGBDRO CCOCC[N@H+](CC)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270690435 378388728 /nfs/dbraw/zinc/38/87/28/378388728.db2.gz CBPOAJOIOACUJW-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO CC(C)c1ccc(CN(C)CC(C)(C)C[NH3+])cc1[N+](=O)[O-] ZINC000346692778 378677172 /nfs/dbraw/zinc/67/71/72/378677172.db2.gz IVSFJSHBHJPAOE-UHFFFAOYSA-N 1 0 293.411 3.135 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000272471045 378644661 /nfs/dbraw/zinc/64/46/61/378644661.db2.gz RTEZCDKKFBYJFH-DOMZBBRYSA-N 1 0 280.368 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCSC2)C2CC2)cc1 ZINC000278475734 194001772 /nfs/dbraw/zinc/00/17/72/194001772.db2.gz RDHLDJXKHJZQGY-ZDUSSCGKSA-N 1 0 292.404 3.312 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348288840 378888430 /nfs/dbraw/zinc/88/84/30/378888430.db2.gz KMUTWIGAHSSBKQ-SDDRHHMPSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[C@H]([NH2+][C@H]1C[C@H]1C(F)F)c1cccc([N+](=O)[O-])c1 ZINC000348288842 378888588 /nfs/dbraw/zinc/88/85/88/378888588.db2.gz KMUTWIGAHSSBKQ-WOPDTQHZSA-N 1 0 270.279 3.289 20 5 CGBDRO CC(C)C[C@@H](C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000348369445 378931169 /nfs/dbraw/zinc/93/11/69/378931169.db2.gz GAZVVWHCNICXQY-LLVKDONJSA-N 1 0 290.367 3.243 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275501063 378957695 /nfs/dbraw/zinc/95/76/95/378957695.db2.gz QZUIFFQEIFYEKB-IUODEOHRSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000276980519 379036841 /nfs/dbraw/zinc/03/68/41/379036841.db2.gz ZAVWVUNANLQDIZ-WFASDCNBSA-N 1 0 294.395 3.349 20 5 CGBDRO CC[C@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000349799323 379389183 /nfs/dbraw/zinc/38/91/83/379389183.db2.gz JCGSYWWVNXXDSG-AWEZNQCLSA-N 1 0 292.379 3.329 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3ccco3)C2)c1 ZINC000374001220 379360161 /nfs/dbraw/zinc/36/01/61/379360161.db2.gz GGHBIMVSLVYIBM-ZDUSSCGKSA-N 1 0 272.304 3.177 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000374007487 379362679 /nfs/dbraw/zinc/36/26/79/379362679.db2.gz HSAXYYVXMKQILR-CYBMUJFWSA-N 1 0 272.304 3.177 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347614590 218292549 /nfs/dbraw/zinc/29/25/49/218292549.db2.gz PLDBKMJBPZEQQA-QWRGUYRKSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000378233003 379792793 /nfs/dbraw/zinc/79/27/93/379792793.db2.gz KKGMTUKAGCOUFY-VHDGCEQUSA-N 1 0 290.363 3.014 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C2CCC2)ccc1[N+](=O)[O-] ZINC000352415374 379804846 /nfs/dbraw/zinc/80/48/46/379804846.db2.gz AYKGLXBDBSBSDD-CQSZACIVSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000282170798 379866950 /nfs/dbraw/zinc/86/69/50/379866950.db2.gz DZKGMIHAFYUQQE-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCF ZINC000281193829 379821816 /nfs/dbraw/zinc/82/18/16/379821816.db2.gz XSMMLXJCEXBGML-JTQLQIEISA-N 1 0 272.345 3.025 20 5 CGBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000352747573 379936984 /nfs/dbraw/zinc/93/69/84/379936984.db2.gz GLVVXPALTZPHPI-HOCLYGCPSA-N 1 0 292.379 3.136 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282553547 379945260 /nfs/dbraw/zinc/94/52/60/379945260.db2.gz SQZGBRDPUNTNDM-OAHLLOKOSA-N 1 0 296.342 3.125 20 5 CGBDRO CCc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000352766728 379948037 /nfs/dbraw/zinc/94/80/37/379948037.db2.gz AGTACTMUUWFKQT-GFCCVEGCSA-N 1 0 285.347 3.403 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779513 379954389 /nfs/dbraw/zinc/95/43/89/379954389.db2.gz PPLKPCUFPOSPPY-NWDGAFQWSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1cccc(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000283943473 380109885 /nfs/dbraw/zinc/10/98/85/380109885.db2.gz FNQRMDKDIRLXLL-GFCCVEGCSA-N 1 0 285.347 3.336 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414494655 380270964 /nfs/dbraw/zinc/27/09/64/380270964.db2.gz AHFMJDGVEGGCRD-LRDDRELGSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]2c2ccco2)cc1[N+](=O)[O-] ZINC000414596117 380333816 /nfs/dbraw/zinc/33/38/16/380333816.db2.gz ULDXCENCDBXPFK-CHWSQXEVSA-N 1 0 272.304 3.142 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000539510199 288619066 /nfs/dbraw/zinc/61/90/66/288619066.db2.gz QPONFKVEYLIOCR-HKCMKHECSA-N 1 0 292.379 3.305 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000421394233 380943789 /nfs/dbraw/zinc/94/37/89/380943789.db2.gz XMBPGMPQYANUQF-JFOCPDPESA-N 1 0 290.363 3.155 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000361425908 381743793 /nfs/dbraw/zinc/74/37/93/381743793.db2.gz PMAOJUUSZONPHR-OAHLLOKOSA-N 1 0 296.342 3.125 20 5 CGBDRO CO[C@H](C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777576 220326268 /nfs/dbraw/zinc/32/62/68/220326268.db2.gz BRHRGHJRWLCFKP-RCQQVGEISA-N 1 0 292.379 3.353 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C(CF)CF ZINC000449382989 285161481 /nfs/dbraw/zinc/16/14/81/285161481.db2.gz ZNOYSRMNHDUJQS-SMDDNHRTSA-N 1 0 298.333 3.203 20 5 CGBDRO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849779 197179168 /nfs/dbraw/zinc/17/91/68/197179168.db2.gz PBSIWBDFZVKMNQ-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303584 195189505 /nfs/dbraw/zinc/18/95/05/195189505.db2.gz HPSLGDGHBKYNNE-UKRRQHHQSA-N 1 0 292.379 3.465 20 5 CGBDRO CSCCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000281374107 195214870 /nfs/dbraw/zinc/21/48/70/195214870.db2.gz LWLUWSDEKDPKNL-NSHDSACASA-N 1 0 268.382 3.341 20 5 CGBDRO CSCCC[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000281508081 195269120 /nfs/dbraw/zinc/26/91/20/195269120.db2.gz UUGMIJZOQAFHBB-UHFFFAOYSA-N 1 0 268.382 3.088 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000282239759 195548343 /nfs/dbraw/zinc/54/83/43/195548343.db2.gz ZXXLUXGZGXANSI-OAHLLOKOSA-N 1 0 290.363 3.034 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)cc1[N+](=O)[O-] ZINC000282355855 195585001 /nfs/dbraw/zinc/58/50/01/195585001.db2.gz VYXDWIDZEDENSX-APHBMKBZSA-N 1 0 290.363 3.272 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC1(C)C ZINC000468644758 533385386 /nfs/dbraw/zinc/38/53/86/533385386.db2.gz GLSIZWDELGAYFL-SMJHDNPOSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC12CCOCC2)c1cccc([N+](=O)[O-])c1 ZINC000367079545 533517940 /nfs/dbraw/zinc/51/79/40/533517940.db2.gz GZYYETYDPIPQRD-IUODEOHRSA-N 1 0 290.363 3.205 20 5 CGBDRO CC(C)OCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192601227 130473125 /nfs/dbraw/zinc/47/31/25/130473125.db2.gz LSPNOVXSUWAGAT-INIZCTEOSA-N 1 0 292.379 3.377 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000036721109 391977090 /nfs/dbraw/zinc/97/70/90/391977090.db2.gz XAOGTAARJYYFEG-HOTGVXAUSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963528 392060624 /nfs/dbraw/zinc/06/06/24/392060624.db2.gz JFHRJJBCIVVGKB-UHFFFAOYSA-N 1 0 256.733 3.384 20 5 CGBDRO CCOCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000090723130 392230117 /nfs/dbraw/zinc/23/01/17/392230117.db2.gz NBFRLGNMKHDGMY-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO CO[C@H]1CCN(Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000282282041 392287858 /nfs/dbraw/zinc/28/78/58/392287858.db2.gz IHXQRPKGXHRMFN-MFKMUULPSA-N 1 0 298.770 3.248 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000105487132 392291576 /nfs/dbraw/zinc/29/15/76/392291576.db2.gz UKSUAFVBIUXKBW-HNNXBMFYSA-N 1 0 298.342 3.386 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000361931655 392366642 /nfs/dbraw/zinc/36/66/42/392366642.db2.gz XRPMVMCZJYTAIK-NWDGAFQWSA-N 1 0 274.320 3.470 20 5 CGBDRO CC[C@@H]([NH2+]CCc1cscn1)c1cccc([N+](=O)[O-])c1 ZINC000111627272 392381376 /nfs/dbraw/zinc/38/13/76/392381376.db2.gz BLSKAGASSWCCHM-CQSZACIVSA-N 1 0 291.376 3.335 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156576619 392548291 /nfs/dbraw/zinc/54/82/91/392548291.db2.gz PXIVNDMNFXNQQC-XPKDYRNWSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000156773900 392549542 /nfs/dbraw/zinc/54/95/42/392549542.db2.gz SBODKTLPWLTMMG-CQSZACIVSA-N 1 0 299.802 3.053 20 5 CGBDRO COC[C@H]1CCCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000375098422 392737993 /nfs/dbraw/zinc/73/79/93/392737993.db2.gz XWIXVCRMNFIDRH-HNNXBMFYSA-N 1 0 292.379 3.152 20 5 CGBDRO C[NH2+]Cc1ccc(NCc2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000414966818 393071844 /nfs/dbraw/zinc/07/18/44/393071844.db2.gz AIJOFXZKMSSPOL-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO CO[C@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470175661 393229753 /nfs/dbraw/zinc/22/97/53/393229753.db2.gz RFNCQDXOLLYCGX-OVHOFWQVSA-N 1 0 290.363 3.109 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@H](C)C1 ZINC000470171087 393230171 /nfs/dbraw/zinc/23/01/71/393230171.db2.gz FKZACCHEZVKXRJ-YQCJOKCJSA-N 1 0 292.404 3.435 20 5 CGBDRO Cc1nc(CC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC000271197837 393248521 /nfs/dbraw/zinc/24/85/21/393248521.db2.gz DUOALAAOJYAEKZ-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO Cc1cccc(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])n1 ZINC000355213576 393263332 /nfs/dbraw/zinc/26/33/32/393263332.db2.gz FNQPPGWSSNTGEH-VMPITWQZSA-N 1 0 297.358 3.144 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000356345566 393424266 /nfs/dbraw/zinc/42/42/66/393424266.db2.gz XOXGZDXJAMUOAR-GJZGRUSLSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCSC[C@@H](C)C1 ZINC000488241334 393472727 /nfs/dbraw/zinc/47/27/27/393472727.db2.gz DDRJSYNMXKQWNT-NWDGAFQWSA-N 1 0 280.393 3.341 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H](C)C(C)C ZINC000430193090 393536563 /nfs/dbraw/zinc/53/65/63/393536563.db2.gz CZILXGMDSQYVFE-LLVKDONJSA-N 1 0 266.341 3.080 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccc(C)o1 ZINC000430200173 393538456 /nfs/dbraw/zinc/53/84/56/393538456.db2.gz GDPDJSKLWOZZQP-UHFFFAOYSA-N 1 0 290.319 3.137 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1(C)CCCC1 ZINC000489837070 393616212 /nfs/dbraw/zinc/61/62/12/393616212.db2.gz PPZSIOQQPOMYEX-UHFFFAOYSA-N 1 0 262.353 3.402 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000490099024 393632165 /nfs/dbraw/zinc/63/21/65/393632165.db2.gz DWVDMJFFNINDRJ-AWEZNQCLSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423266056 393657133 /nfs/dbraw/zinc/65/71/33/393657133.db2.gz RSRPNZBHMRCHRD-LRDDRELGSA-N 1 0 291.395 3.153 20 5 CGBDRO CC[C@H](COC)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433241103 393702978 /nfs/dbraw/zinc/70/29/78/393702978.db2.gz ODXLMOWAMOQODS-IAQYHMDHSA-N 1 0 292.379 3.332 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453415235 394240440 /nfs/dbraw/zinc/24/04/40/394240440.db2.gz UCPKVXNBIHPXTO-NFAWXSAZSA-N 1 0 292.379 3.073 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000453623603 394262123 /nfs/dbraw/zinc/26/21/23/394262123.db2.gz BTTLESBATKOBNK-DKMNWPJTSA-N 1 0 290.363 3.155 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268900865 285649216 /nfs/dbraw/zinc/64/92/16/285649216.db2.gz OQFWCZYPLVMOMK-KCPJHIHWSA-N 1 0 278.352 3.203 20 5 CGBDRO COCC1CCC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295458997 292266452 /nfs/dbraw/zinc/26/64/52/292266452.db2.gz QRNZVECWTFVRCX-IYXRBSQSSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000070357868 165058332 /nfs/dbraw/zinc/05/83/32/165058332.db2.gz CLKPACZSTHOZBV-CORIIIEPSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1csc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)n1 ZINC000080311551 165153501 /nfs/dbraw/zinc/15/35/01/165153501.db2.gz VURREKFTENMJRC-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CCCF)cc1[N+](=O)[O-] ZINC000090522135 287102351 /nfs/dbraw/zinc/10/23/51/287102351.db2.gz JTJAAKFKNBSSBB-JTQLQIEISA-N 1 0 270.304 3.004 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000094659472 287122362 /nfs/dbraw/zinc/12/23/62/287122362.db2.gz MPFPUAGGOSMKJG-ZDUSSCGKSA-N 1 0 277.368 3.045 20 5 CGBDRO CCOc1cc(N2CCc3c[nH+]ccc32)ccc1[N+](=O)[O-] ZINC000181207815 165677432 /nfs/dbraw/zinc/67/74/32/165677432.db2.gz JDKFTCPSJVDYHH-UHFFFAOYSA-N 1 0 285.303 3.083 20 5 CGBDRO CCOCCN(CC)Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000119027285 287163714 /nfs/dbraw/zinc/16/37/14/287163714.db2.gz RCIMGABITIHKTP-UHFFFAOYSA-N 1 0 286.759 3.107 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000020137487 171024511 /nfs/dbraw/zinc/02/45/11/171024511.db2.gz FVAYEYFYAQTYSZ-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284865024 196147327 /nfs/dbraw/zinc/14/73/27/196147327.db2.gz DJORXYGQHBNMOG-GDBMZVCRSA-N 1 0 290.363 3.047 20 5 CGBDRO CCOC1CC(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000285121482 196201118 /nfs/dbraw/zinc/20/11/18/196201118.db2.gz ANEYVAKJFDTGMO-HIFPTAJRSA-N 1 0 278.352 3.061 20 5 CGBDRO CCOC1CC(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000285679019 196364135 /nfs/dbraw/zinc/36/41/35/196364135.db2.gz QKXZRIKVSUDFIF-DNOWBOINSA-N 1 0 292.379 3.369 20 5 CGBDRO CCOC[C@@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000044690670 175233148 /nfs/dbraw/zinc/23/31/48/175233148.db2.gz BLHIGQOYXFWIFL-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO CCCC[N@H+](CC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131816924 287390492 /nfs/dbraw/zinc/39/04/92/287390492.db2.gz NKZOJUIDVKKJQA-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1[N+](=O)[O-] ZINC000179409310 260047311 /nfs/dbraw/zinc/04/73/11/260047311.db2.gz KMPODUMHHCVQDP-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000045042864 270037950 /nfs/dbraw/zinc/03/79/50/270037950.db2.gz AAILTDSGEFVZPS-UHFFFAOYSA-N 1 0 254.355 3.469 20 5 CGBDRO CC(C)CCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000045093981 270038214 /nfs/dbraw/zinc/03/82/14/270038214.db2.gz HMDVCDSETBSTPL-ZDUSSCGKSA-N 1 0 280.368 3.308 20 5 CGBDRO CC(C)C1CC([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000232537115 287645663 /nfs/dbraw/zinc/64/56/63/287645663.db2.gz JAKAABVWUNWMRI-UHFFFAOYSA-N 1 0 262.353 3.162 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000224521102 270086787 /nfs/dbraw/zinc/08/67/87/270086787.db2.gz MTMJCPTYCPNKIZ-NILFDRSVSA-N 1 0 292.379 3.367 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1C[C@@H]1C ZINC000321703997 270093346 /nfs/dbraw/zinc/09/33/46/270093346.db2.gz UHDONKNOUXUWFZ-BPNCWPANSA-N 1 0 262.353 3.427 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000322833375 270094345 /nfs/dbraw/zinc/09/43/45/270094345.db2.gz ZZYMDLDZQSFNCV-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)c(F)c1 ZINC000324994205 270094757 /nfs/dbraw/zinc/09/47/57/270094757.db2.gz WOZFBBVIRIBJGT-OAHLLOKOSA-N 1 0 278.327 3.402 20 5 CGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1C ZINC000519810982 270098356 /nfs/dbraw/zinc/09/83/56/270098356.db2.gz ARUKGPTUVMYFLF-SUNKGSAMSA-N 1 0 287.363 3.253 20 5 CGBDRO CC1(C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000524027783 270111580 /nfs/dbraw/zinc/11/15/80/270111580.db2.gz QOXCFTNXHKTBCR-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000531440286 270207076 /nfs/dbraw/zinc/20/70/76/270207076.db2.gz CVYJXPOMCCJCMY-INIZCTEOSA-N 1 0 283.331 3.327 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H](C)C1 ZINC000532780020 270219515 /nfs/dbraw/zinc/21/95/15/270219515.db2.gz BEVRJCUUVCJLFY-STQMWFEESA-N 1 0 262.353 3.463 20 5 CGBDRO CC1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447573122 273594467 /nfs/dbraw/zinc/59/44/67/273594467.db2.gz FYJSEOWGONGXPB-AWEZNQCLSA-N 1 0 260.337 3.362 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000301776708 274292838 /nfs/dbraw/zinc/29/28/38/274292838.db2.gz LKPZMIMHZBLLRP-CYBMUJFWSA-N 1 0 289.379 3.048 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000537092736 288514256 /nfs/dbraw/zinc/51/42/56/288514256.db2.gz GXMSCVXEFYWNCO-HEHGZKQESA-N 1 0 292.379 3.369 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090801185 276209149 /nfs/dbraw/zinc/20/91/49/276209149.db2.gz MPSXECXIXQEDFE-GFCCVEGCSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@@H]([NH2+]CC1(CC)COC1)c1cccc([N+](=O)[O-])c1 ZINC000393966619 288001213 /nfs/dbraw/zinc/00/12/13/288001213.db2.gz QDEHLYWGOYHYFS-CQSZACIVSA-N 1 0 278.352 3.062 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000430138300 278036397 /nfs/dbraw/zinc/03/63/97/278036397.db2.gz YFPOWNIKNHDTHS-JSGCOSHPSA-N 1 0 292.379 3.063 20 5 CGBDRO C[C@H](CN1CCCCC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037153358 278187585 /nfs/dbraw/zinc/18/75/85/278187585.db2.gz BKZWTGDIFJTBPF-ZIAGYGMSSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000346656290 278344003 /nfs/dbraw/zinc/34/40/03/278344003.db2.gz ZZIOCMAJWLXCHC-CZUORRHYSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000397996315 288037153 /nfs/dbraw/zinc/03/71/53/288037153.db2.gz QLPAMVYBPXDYHH-WCBMZHEXSA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177076 278379367 /nfs/dbraw/zinc/37/93/67/278379367.db2.gz NOUINZDSJGRYJU-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000191825045 288070781 /nfs/dbraw/zinc/07/07/81/288070781.db2.gz QHOPXOUCYGIIMD-TUKIKUTGSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[N@H+](CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000156594359 279207527 /nfs/dbraw/zinc/20/75/27/279207527.db2.gz GMRAYUCTDWTAAQ-CQSZACIVSA-N 1 0 293.411 3.284 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@@H]1CCCCO1 ZINC000449233597 279382142 /nfs/dbraw/zinc/38/21/42/279382142.db2.gz MGZKGXMQBIBONT-HIFRSBDPSA-N 1 0 292.379 3.075 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516219084 288128825 /nfs/dbraw/zinc/12/88/25/288128825.db2.gz RAPQCLRNRYWLBS-UONOGXRCSA-N 1 0 293.411 3.366 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000355362595 279496628 /nfs/dbraw/zinc/49/66/28/279496628.db2.gz JFQYMDMUOIDTAR-SGMGOOAPSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C[NH2+]1 ZINC000262393301 279866852 /nfs/dbraw/zinc/86/68/52/279866852.db2.gz BKWWFQUIEDWMCT-ZDUSSCGKSA-N 1 0 297.358 3.093 20 5 CGBDRO C[C@H]1[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CCC[N@@H+]1C ZINC000432144000 280107007 /nfs/dbraw/zinc/10/70/07/280107007.db2.gz TYVJXHJHYFFWIF-ONGXEEELSA-N 1 0 283.759 3.143 20 5 CGBDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245524 280108818 /nfs/dbraw/zinc/10/88/18/280108818.db2.gz KKQHREKSZVCEFB-JOYOIKCWSA-N 1 0 288.269 3.368 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000531724414 288343429 /nfs/dbraw/zinc/34/34/29/288343429.db2.gz PSZILDVUVDTUNM-LRDDRELGSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000550927424 289091079 /nfs/dbraw/zinc/09/10/79/289091079.db2.gz AMSVNTOYLUHEQX-JIMOISOXSA-N 1 0 252.289 3.136 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1F ZINC000551306556 289110453 /nfs/dbraw/zinc/11/04/53/289110453.db2.gz MYEALJPWUPOGFV-FPMFFAJLSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000552086803 289161759 /nfs/dbraw/zinc/16/17/59/289161759.db2.gz QSBJCJIFCXALLQ-DFBGVHRSSA-N 1 0 274.364 3.304 20 5 CGBDRO CC(C)C[C@@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552625434 289194536 /nfs/dbraw/zinc/19/45/36/289194536.db2.gz ROJBEYXNJPIJRW-GFCCVEGCSA-N 1 0 262.353 3.388 20 5 CGBDRO CCC[NH+]1CCC(CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000555138503 289329388 /nfs/dbraw/zinc/32/93/88/289329388.db2.gz UGNSSWGRRSSQJX-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC1(C)C ZINC000555236195 289334954 /nfs/dbraw/zinc/33/49/54/289334954.db2.gz RXKCJWBQDNDVCY-FZMZJTMJSA-N 1 0 294.420 3.400 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414239410 294109503 /nfs/dbraw/zinc/10/95/03/294109503.db2.gz YPIUDYHPJOPMMC-WQGACYEGSA-N 1 0 292.379 3.449 20 5 CGBDRO CCc1ccc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000157971903 321806884 /nfs/dbraw/zinc/80/68/84/321806884.db2.gz WHXZNWUDEQXNQM-UHFFFAOYSA-N 1 0 274.320 3.083 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173428349 321946834 /nfs/dbraw/zinc/94/68/34/321946834.db2.gz WPAYVIVFQWJXJY-JSGCOSHPSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H](F)C1 ZINC000563418092 321996231 /nfs/dbraw/zinc/99/62/31/321996231.db2.gz TUHXZMDGLWKRSF-SUNKGSAMSA-N 1 0 278.327 3.452 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCc2occc2C1 ZINC000563778119 322009710 /nfs/dbraw/zinc/00/97/10/322009710.db2.gz YPOGMJURYWWUJE-UHFFFAOYSA-N 1 0 286.331 3.445 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000564693502 322038841 /nfs/dbraw/zinc/03/88/41/322038841.db2.gz SECVAZOGVAGXFQ-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO COC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CCC1 ZINC000566992597 322146052 /nfs/dbraw/zinc/14/60/52/322146052.db2.gz KVFANAFPBJXWNI-GFCCVEGCSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568662866 322217773 /nfs/dbraw/zinc/21/77/73/322217773.db2.gz MFFBMUBQGOGYLY-BLLLJJGKSA-N 1 0 297.358 3.198 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000569354817 322244348 /nfs/dbraw/zinc/24/43/48/322244348.db2.gz XNJSHBVTOROUMM-INIZCTEOSA-N 1 0 297.358 3.118 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCS1 ZINC000570059306 322264100 /nfs/dbraw/zinc/26/41/00/322264100.db2.gz LRQIFTAWKVHVME-ZWNOBZJWSA-N 1 0 278.377 3.067 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572780285 322354699 /nfs/dbraw/zinc/35/46/99/322354699.db2.gz FMNAEXBQKNCPKY-WFASDCNBSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1F ZINC000580534517 335108235 /nfs/dbraw/zinc/10/82/35/335108235.db2.gz MYEALJPWUPOGFV-YUTCNCBUSA-N 1 0 280.343 3.396 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1cccs1 ZINC000576837660 335254355 /nfs/dbraw/zinc/25/43/55/335254355.db2.gz KWFONRYYSQONTQ-ZDUSSCGKSA-N 1 0 274.345 3.433 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000577481482 335356874 /nfs/dbraw/zinc/35/68/74/335356874.db2.gz VRFIFBDVWPERKH-WCQYABFASA-N 1 0 280.368 3.226 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccccc1 ZINC000578142472 335524771 /nfs/dbraw/zinc/52/47/71/335524771.db2.gz LSTGRVIXUVRBDN-MRXNPFEDSA-N 1 0 282.343 3.414 20 5 CGBDRO CCCC(O)(CCC)C[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183481854 335895087 /nfs/dbraw/zinc/89/50/87/335895087.db2.gz GJJVAHRWIIGCCY-UHFFFAOYSA-N 1 0 294.395 3.324 20 5 CGBDRO CCOC[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000081519177 520182175 /nfs/dbraw/zinc/18/21/75/520182175.db2.gz AOIDFZKLCYGJNE-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCCS2)cc1[N+](=O)[O-] ZINC000158041023 524576954 /nfs/dbraw/zinc/57/69/54/524576954.db2.gz YIJACMPMKDASSX-ZDUSSCGKSA-N 1 0 280.393 3.279 20 5 CGBDRO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccccc1[N+](=O)[O-] ZINC000087044004 525318952 /nfs/dbraw/zinc/31/89/52/525318952.db2.gz WUDMOEYADPCILZ-UYJPIKCFSA-N 1 0 292.379 3.187 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1C[C@H]2C[C@H]2C1 ZINC000424210960 527529162 /nfs/dbraw/zinc/52/91/62/527529162.db2.gz WOWOZPRIHICFAY-VCOFHXOESA-N 1 0 272.348 3.386 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000414149771 528103589 /nfs/dbraw/zinc/10/35/89/528103589.db2.gz UBEINPLCOOTONY-BNOWGMLFSA-N 1 0 278.352 3.121 20 5 CGBDRO CCN(CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000155845875 528518179 /nfs/dbraw/zinc/51/81/79/528518179.db2.gz NNKAJWQLNYPEIT-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298271 528819963 /nfs/dbraw/zinc/81/99/63/528819963.db2.gz NVGAFZMJLOFZSN-JSGCOSHPSA-N 1 0 279.384 3.071 20 5 CGBDRO CCOC[C@@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449280693 528898649 /nfs/dbraw/zinc/89/86/49/528898649.db2.gz YGMRKQSNQIWOST-UKRRQHHQSA-N 1 0 294.395 3.177 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461780143 534950680 /nfs/dbraw/zinc/95/06/80/534950680.db2.gz XCXIFLQUYCDMSU-LBPRGKRZSA-N 1 0 295.358 3.186 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396400 536180708 /nfs/dbraw/zinc/18/07/08/536180708.db2.gz FVQDMMSYBGVCCL-WFASDCNBSA-N 1 0 278.352 3.094 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C1(C)C ZINC000451490879 536839651 /nfs/dbraw/zinc/83/96/51/536839651.db2.gz OXSDXXDXZKZTKA-DZGCQCFKSA-N 1 0 296.342 3.027 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC12CC2 ZINC000515313056 536956228 /nfs/dbraw/zinc/95/62/28/536956228.db2.gz ZIANUDCQKQHYHN-CQSZACIVSA-N 1 0 276.336 3.026 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000738226090 572367276 /nfs/dbraw/zinc/36/72/76/572367276.db2.gz JYWKZGDHZXWQDU-LBPRGKRZSA-N 1 0 288.351 3.167 20 5 CGBDRO O=[N+]([O-])CC[NH2+]CCC(c1ccccc1)c1ccccc1 ZINC000899861234 620731865 /nfs/dbraw/zinc/73/18/65/620731865.db2.gz YCVKMEWLKOOHGP-UHFFFAOYSA-N 1 0 284.359 3.075 20 5 CGBDRO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000891822433 618319644 /nfs/dbraw/zinc/31/96/44/618319644.db2.gz AEHXEXBTQNDNJP-NSHDSACASA-N 1 0 296.367 3.175 20 5 CGBDRO Cc1ccccc1CC[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000061014192 618659628 /nfs/dbraw/zinc/65/96/28/618659628.db2.gz MYJUUEJBALAIKI-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000892623374 618877520 /nfs/dbraw/zinc/87/75/20/618877520.db2.gz WCUYBXCBVMPUFA-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccnc(Cl)c1)c1cccc([N+](=O)[O-])c1 ZINC000180422176 618877732 /nfs/dbraw/zinc/87/77/32/618877732.db2.gz QEGGHHXEFRTPCZ-SNVBAGLBSA-N 1 0 291.738 3.494 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000180417782 618877862 /nfs/dbraw/zinc/87/78/62/618877862.db2.gz VINAHZSGNZSTSG-SNVBAGLBSA-N 1 0 291.738 3.494 20 5 CGBDRO CCC[N@H+](CC)CCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000080242101 618885268 /nfs/dbraw/zinc/88/52/68/618885268.db2.gz PMEKFLJTLCANFI-UHFFFAOYSA-N 1 0 299.802 3.070 20 5 CGBDRO COCCCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000893327767 619098655 /nfs/dbraw/zinc/09/86/55/619098655.db2.gz GCYHLRBUUBFHPQ-UHFFFAOYSA-N 1 0 292.379 3.281 20 5 CGBDRO CCC[C@@H]1CN(c2ccc([N+](=O)[O-])cc2C(F)F)CC[NH2+]1 ZINC000895058509 619704115 /nfs/dbraw/zinc/70/41/15/619704115.db2.gz MBYMASGOHUYULI-SNVBAGLBSA-N 1 0 299.321 3.111 20 5 CGBDRO CC1(C)C[C@]1(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895534473 619843150 /nfs/dbraw/zinc/84/31/50/619843150.db2.gz IWELZPJSTMYCRM-OAHLLOKOSA-N 1 0 289.335 3.262 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCC(F)CC1 ZINC000895550033 619850830 /nfs/dbraw/zinc/85/08/30/619850830.db2.gz PKXBQZXDFYVEDU-HYXAFXHYSA-N 1 0 264.300 3.042 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCOCC1 ZINC000897450263 620337677 /nfs/dbraw/zinc/33/76/77/620337677.db2.gz BFXUWXPLZBSUBO-UHFFFAOYSA-N 1 0 292.379 3.137 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897460122 620339953 /nfs/dbraw/zinc/33/99/53/620339953.db2.gz QFIFQWJFGDRXEV-IUODEOHRSA-N 1 0 297.358 3.370 20 5 CGBDRO CC[C@@](C)(C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897464378 620340129 /nfs/dbraw/zinc/34/01/29/620340129.db2.gz LZONSRPRJMUACE-DOMZBBRYSA-N 1 0 280.368 3.103 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463445 620340556 /nfs/dbraw/zinc/34/05/56/620340556.db2.gz GDRQDSMMAXMGAH-SCDSUCTJSA-N 1 0 280.393 3.182 20 5 CGBDRO CCC[C@@H](C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897463465 620340699 /nfs/dbraw/zinc/34/06/99/620340699.db2.gz GIJCYEBNHZKYGD-STQMWFEESA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1cc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])sn1 ZINC000897463724 620340736 /nfs/dbraw/zinc/34/07/36/620340736.db2.gz HQFJKVRIRFJCIY-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1nc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000897469473 620341813 /nfs/dbraw/zinc/34/18/13/620341813.db2.gz KSSMJPYEZMPJCB-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000903288292 621671516 /nfs/dbraw/zinc/67/15/16/621671516.db2.gz WJTAUSJKGITFPF-XNRPHZJLSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cccnc1C ZINC000903416198 621735909 /nfs/dbraw/zinc/73/59/09/621735909.db2.gz RXOGXFMSTPNIAT-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903437864 621747102 /nfs/dbraw/zinc/74/71/02/621747102.db2.gz QNWRPBQUXQHDKL-OWCLPIDISA-N 1 0 290.363 3.061 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C\Cl ZINC000903443311 621754418 /nfs/dbraw/zinc/75/44/18/621754418.db2.gz FZEKQQLCWOKVEV-ANTNXHBISA-N 1 0 272.707 3.007 20 5 CGBDRO CCC[C@@H](C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905423972 622073280 /nfs/dbraw/zinc/07/32/80/622073280.db2.gz ZUPAHXMDEJQGJI-IUODEOHRSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC[C@@H]1[C@H](C)CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386602 623319988 /nfs/dbraw/zinc/31/99/88/623319988.db2.gz RSKQROZUWXMRCG-BXUZGUMPSA-N 1 0 294.399 3.266 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000162129360 626075083 /nfs/dbraw/zinc/07/50/83/626075083.db2.gz WBDLACWVQXCZLT-MRVPVSSYSA-N 1 0 299.168 3.245 20 5 CGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227859533 626081405 /nfs/dbraw/zinc/08/14/05/626081405.db2.gz LJMBMJSSFDQYPK-DAXOMENPSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227859527 626081451 /nfs/dbraw/zinc/08/14/51/626081451.db2.gz LJMBMJSSFDQYPK-UHOFOFEASA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752074236 626417675 /nfs/dbraw/zinc/41/76/75/626417675.db2.gz DWCVZEOFGIYRLG-SECBINFHSA-N 1 0 254.717 3.233 20 5 CGBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000761511735 627047274 /nfs/dbraw/zinc/04/72/74/627047274.db2.gz OVQNDTCXDUIEQB-NXEZZACHSA-N 1 0 268.744 3.336 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000766480948 627336098 /nfs/dbraw/zinc/33/60/98/627336098.db2.gz XCWIDIKGUIVBCM-FUJMWEONSA-N 1 0 292.379 3.247 20 5 CGBDRO CC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783638176 628734311 /nfs/dbraw/zinc/73/43/11/628734311.db2.gz MZJOZYIRXCXYOH-UHFFFAOYSA-N 1 0 298.770 3.031 20 5 CGBDRO CCCCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497186 629059328 /nfs/dbraw/zinc/05/93/28/629059328.db2.gz FTBMQMPWSWZMAF-JTQLQIEISA-N 1 0 251.330 3.018 20 5 CGBDRO CC(C)C1(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788668400 629071716 /nfs/dbraw/zinc/07/17/16/629071716.db2.gz KFPGZBIUJJJLRJ-NSHDSACASA-N 1 0 277.368 3.264 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@H]1/C=C/c1ccccc1 ZINC000791051605 629253039 /nfs/dbraw/zinc/25/30/39/629253039.db2.gz GMMIBUNWAJITTH-OFAQMXQXSA-N 1 0 274.364 3.221 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H]1C ZINC000792867205 629389053 /nfs/dbraw/zinc/38/90/53/629389053.db2.gz MKVLDXRHAHRRPW-GHMZBOCLSA-N 1 0 293.323 3.123 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000800890424 630309298 /nfs/dbraw/zinc/30/92/98/630309298.db2.gz GJMBEUKWIDBHDP-MJBXVCDLSA-N 1 0 260.337 3.181 20 5 CGBDRO C[N@H+](CCc1cccs1)CCc1cccc([N+](=O)[O-])c1 ZINC000801601200 630347576 /nfs/dbraw/zinc/34/75/76/630347576.db2.gz ZIRCXAPPZKHUCS-UHFFFAOYSA-N 1 0 290.388 3.373 20 5 CGBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])c(C)o1 ZINC000809688275 630783361 /nfs/dbraw/zinc/78/33/61/630783361.db2.gz GFTAKGZBXHFWMV-UHFFFAOYSA-N 1 0 288.347 3.479 20 5 CGBDRO [NH3+]CCCCCCCOc1ccc([N+](=O)[O-])cc1F ZINC000818618091 632342359 /nfs/dbraw/zinc/34/23/59/632342359.db2.gz LFYRHQMJGAQUAU-UHFFFAOYSA-N 1 0 270.304 3.022 20 5 CGBDRO [NH3+]CCCCCCCOc1ccc(F)cc1[N+](=O)[O-] ZINC000818619344 632342419 /nfs/dbraw/zinc/34/24/19/632342419.db2.gz YTNUKPQVFCHGCB-UHFFFAOYSA-N 1 0 270.304 3.022 20 5 CGBDRO CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000865872321 632931490 /nfs/dbraw/zinc/93/14/90/632931490.db2.gz VNJKYBORHJBFQM-JSGCOSHPSA-N 1 0 294.395 3.357 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866342311 633089108 /nfs/dbraw/zinc/08/91/08/633089108.db2.gz CELPRZCOVMKESE-NSHDSACASA-N 1 0 298.358 3.070 20 5 CGBDRO CSC1(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866350253 633092999 /nfs/dbraw/zinc/09/29/99/633092999.db2.gz XUNDNBSWHCFHCK-SNVBAGLBSA-N 1 0 298.383 3.150 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000866635993 633224430 /nfs/dbraw/zinc/22/44/30/633224430.db2.gz VXQWEYULSOOXPM-UMVBOHGHSA-N 1 0 294.395 3.055 20 5 CGBDRO CCC[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824542867 633256676 /nfs/dbraw/zinc/25/66/76/633256676.db2.gz CQSKPPDWRPESOC-NSHDSACASA-N 1 0 286.759 3.153 20 5 CGBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824542865 633257007 /nfs/dbraw/zinc/25/70/07/633257007.db2.gz CQSKPPDWRPESOC-LLVKDONJSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824765564 633285309 /nfs/dbraw/zinc/28/53/09/633285309.db2.gz NLNFTAYCHCDKPB-NSHDSACASA-N 1 0 289.162 3.268 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000122597348 633445701 /nfs/dbraw/zinc/44/57/01/633445701.db2.gz QRWVZYYKIVMVEW-WCQYABFASA-N 1 0 295.770 3.287 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122829760 633518732 /nfs/dbraw/zinc/51/87/32/633518732.db2.gz PCOPAEQAVQONPF-MWLCHTKSSA-N 1 0 295.770 3.285 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872061571 633983657 /nfs/dbraw/zinc/98/36/57/633983657.db2.gz ZDKOCRWXKGQQAE-NEPJUHHUSA-N 1 0 296.342 3.344 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CSC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071904 633993357 /nfs/dbraw/zinc/99/33/57/633993357.db2.gz ZRMFQBOOSFJRBR-WCABBAIRSA-N 1 0 284.356 3.136 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@H](C)C1 ZINC000872082001 634006851 /nfs/dbraw/zinc/00/68/51/634006851.db2.gz NDYQFOBTXBVEJE-OUAUKWLOSA-N 1 0 296.392 3.145 20 5 CGBDRO COC1CC(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872084224 634008869 /nfs/dbraw/zinc/00/88/69/634008869.db2.gz GXWDTRLKLOWMDJ-UNXYVOJBSA-N 1 0 296.342 3.200 20 5 CGBDRO CC(C)CC[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088571 634014093 /nfs/dbraw/zinc/01/40/93/634014093.db2.gz SHBNXJULBPZNPS-NEPJUHHUSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128780 634050076 /nfs/dbraw/zinc/05/00/76/634050076.db2.gz WLMYNPDFBZUHJQ-AVGNSLFASA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ncsc1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873046598 634237337 /nfs/dbraw/zinc/23/73/37/634237337.db2.gz RPAPPTNVKHRLGO-UHFFFAOYSA-N 1 0 291.376 3.266 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(F)(F)F ZINC000873065761 634240596 /nfs/dbraw/zinc/24/05/96/634240596.db2.gz NHXKDYJTLPNSAV-UHFFFAOYSA-N 1 0 276.258 3.254 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000873129865 634252562 /nfs/dbraw/zinc/25/25/62/634252562.db2.gz RZGVLVXPNNZZPR-CYBMUJFWSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)Cc1ccccn1 ZINC000873134029 634254123 /nfs/dbraw/zinc/25/41/23/634254123.db2.gz WNKSQVZAMKBBKU-ZDUSSCGKSA-N 1 0 299.374 3.327 20 5 CGBDRO CCc1ncc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000873183272 634273615 /nfs/dbraw/zinc/27/36/15/634273615.db2.gz BGYMSAMHRJXDSB-JTQLQIEISA-N 1 0 291.376 3.465 20 5 CGBDRO CC[C@@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873184005 634273917 /nfs/dbraw/zinc/27/39/17/634273917.db2.gz WZHGRKLWZVEMGQ-MGPQQGTHSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1nccnc1[C@@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000873188820 634276617 /nfs/dbraw/zinc/27/66/17/634276617.db2.gz MJLGGVPIZXNFFT-HOSRBBHYSA-N 1 0 298.346 3.057 20 5 CGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000873217049 634287268 /nfs/dbraw/zinc/28/72/68/634287268.db2.gz GROYCIJURCYWPO-QWHCGFSZSA-N 1 0 289.360 3.083 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000877736209 635169562 /nfs/dbraw/zinc/16/95/62/635169562.db2.gz QTPSYMLUNZOHLT-KGLIPLIRSA-N 1 0 292.404 3.088 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000126716611 635195265 /nfs/dbraw/zinc/19/52/65/635195265.db2.gz COLITWNVWASVMQ-ZWNOBZJWSA-N 1 0 292.360 3.041 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@@H](CF)C2)cccc1[N+](=O)[O-] ZINC000880231918 635944155 /nfs/dbraw/zinc/94/41/55/635944155.db2.gz BGXVCJZZZUKSMD-LBPRGKRZSA-N 1 0 266.316 3.085 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@]1(F)Cl ZINC000846040641 636136471 /nfs/dbraw/zinc/13/64/71/636136471.db2.gz XNLRDVXDEWLSDW-QWHCGFSZSA-N 1 0 286.734 3.389 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccns1 ZINC000883247938 636617716 /nfs/dbraw/zinc/61/77/16/636617716.db2.gz BTLSGLGTGWZFAO-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO CCC1([NH+]2CCC2)CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000884717236 637136066 /nfs/dbraw/zinc/13/60/66/637136066.db2.gz WFXUDWNHONOWSM-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886716120 637670164 /nfs/dbraw/zinc/67/01/64/637670164.db2.gz OPGFWEYADBSOLY-WFASDCNBSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1CCCO ZINC000925312182 638494989 /nfs/dbraw/zinc/49/49/89/638494989.db2.gz YENRFNUHIVOOBM-UKRRQHHQSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1(Cl)CC1)c1ccccc1[N+](=O)[O-] ZINC000925689497 638569444 /nfs/dbraw/zinc/56/94/44/638569444.db2.gz ASMAYXJHQHBLKJ-ZJUUUORDSA-N 1 0 268.744 3.405 20 5 CGBDRO Cc1cnc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000926954036 638829043 /nfs/dbraw/zinc/82/90/43/638829043.db2.gz HEKMKYJBBAFGQY-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927021328 638832762 /nfs/dbraw/zinc/83/27/62/638832762.db2.gz MVRLHZWHFUNPLT-DOMZBBRYSA-N 1 0 278.352 3.205 20 5 CGBDRO COC/C(C)=C\C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852018 638956637 /nfs/dbraw/zinc/95/66/37/638956637.db2.gz DTDCGUUHPJYLOT-JYRVWZFOSA-N 1 0 290.363 3.152 20 5 CGBDRO CC(C)(C)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930203311 638983040 /nfs/dbraw/zinc/98/30/40/638983040.db2.gz DSBHWOXMITWRAY-CYBMUJFWSA-N 1 0 250.342 3.030 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)CC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000932177373 639287717 /nfs/dbraw/zinc/28/77/17/639287717.db2.gz OIHZSSBJIAFUPI-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000934225148 639563523 /nfs/dbraw/zinc/56/35/23/639563523.db2.gz BKRBOTBYHBODTO-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000934668738 639654106 /nfs/dbraw/zinc/65/41/06/639654106.db2.gz XGZYCRBHJJUZBL-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](c2ccncc2)C2CC2)c1 ZINC000934686364 639657202 /nfs/dbraw/zinc/65/72/02/639657202.db2.gz LBDFUXXAYKMDEP-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000215603067 640057891 /nfs/dbraw/zinc/05/78/91/640057891.db2.gz BEPSJIRBSQFWBZ-LBPRGKRZSA-N 1 0 298.770 3.295 20 5 CGBDRO CCC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246270294 640667869 /nfs/dbraw/zinc/66/78/69/640667869.db2.gz MHJAWTWHFMMSSM-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1F ZINC000094774907 640802176 /nfs/dbraw/zinc/80/21/76/640802176.db2.gz LNZXNSDBKNTIAJ-OCCSQVGLSA-N 1 0 278.327 3.498 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774668 640802337 /nfs/dbraw/zinc/80/23/37/640802337.db2.gz MKTOQRXCHYLVSX-UHFFFAOYSA-N 1 0 298.358 3.371 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774368 640802620 /nfs/dbraw/zinc/80/26/20/640802620.db2.gz IUVRAJQQCWYMLM-NSHDSACASA-N 1 0 252.289 3.108 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc2c(c1)C[NH2+]CC2 ZINC001159615350 806133521 /nfs/dbraw/zinc/13/35/21/806133521.db2.gz DELNOGGJTGJRDW-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO c1ccc2nc3c(cccc3NC3=C[NH2+]CCC3)nc2c1 ZINC001159728557 806162111 /nfs/dbraw/zinc/16/21/11/806162111.db2.gz XTGYGZYKULNXJT-UHFFFAOYSA-N 1 0 276.343 3.420 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCC(F)CC1 ZINC001254530746 806445114 /nfs/dbraw/zinc/44/51/14/806445114.db2.gz AQZYEZMVWJEYNE-XGNXJENSSA-N 1 0 280.343 3.396 20 5 CGBDRO CSC1CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254561009 806451027 /nfs/dbraw/zinc/45/10/27/806451027.db2.gz CVERWRCACFKQRL-GFCCVEGCSA-N 1 0 294.420 3.353 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C)CC12CC2 ZINC001254565967 806451758 /nfs/dbraw/zinc/45/17/58/806451758.db2.gz RJLFAXMMPGOYFA-CHWSQXEVSA-N 1 0 274.364 3.400 20 5 CGBDRO CC(C)(C)CC[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568274 806453277 /nfs/dbraw/zinc/45/32/77/806453277.db2.gz ROJBLJYZFIKNSY-ZDUSSCGKSA-N 1 0 262.353 3.088 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254570937 806453280 /nfs/dbraw/zinc/45/32/80/806453280.db2.gz QRNOSCAHNCDUAW-VNHYZAJKSA-N 1 0 292.379 3.025 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588219 806455757 /nfs/dbraw/zinc/45/57/57/806455757.db2.gz WQNYPKDHNHJGHJ-IUODEOHRSA-N 1 0 288.391 3.478 20 5 CGBDRO C[NH2+]Cc1cccc(N[C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254560135 806450795 /nfs/dbraw/zinc/45/07/95/806450795.db2.gz PKNBMCYTTACPAH-ZDUSSCGKSA-N 1 0 299.374 3.357 20 5 CGBDRO CC(C)C1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254602856 806458655 /nfs/dbraw/zinc/45/86/55/806458655.db2.gz JGVUPXHQXAVDNF-QGZVFWFLSA-N 1 0 288.391 3.430 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC(C(F)F)CC1)C2 ZINC001254604858 806460116 /nfs/dbraw/zinc/46/01/16/806460116.db2.gz XVKJKUUMJVWNOH-CQSZACIVSA-N 1 0 296.317 3.039 20 5 CGBDRO C[N@H+](C[C@@H]1CC1(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604750 806460274 /nfs/dbraw/zinc/46/02/74/806460274.db2.gz XLQWSEXFBGSRSQ-DZGCQCFKSA-N 1 0 274.364 3.040 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000036993457 798853995 /nfs/dbraw/zinc/85/39/95/798853995.db2.gz COWBOQXWHIPRDP-NEPJUHHUSA-N 1 0 274.320 3.470 20 5 CGBDRO COC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCCC1 ZINC000312829200 799229753 /nfs/dbraw/zinc/22/97/53/799229753.db2.gz NOTQEGQCEFMOJD-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000688903480 799758369 /nfs/dbraw/zinc/75/83/69/799758369.db2.gz WWSOXXJVCOGEEU-GWCFXTLKSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CC1(F)F ZINC000701964826 799901325 /nfs/dbraw/zinc/90/13/25/799901325.db2.gz GOJIDKDVEVNXEO-VIFPVBQESA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@@H](F)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000702547480 799910790 /nfs/dbraw/zinc/91/07/90/799910790.db2.gz POULDDCZGCQKHE-MRVPVSSYSA-N 1 0 260.696 3.086 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000704813967 799941592 /nfs/dbraw/zinc/94/15/92/799941592.db2.gz KAROLKXGELCDQX-RYUDHWBXSA-N 1 0 280.393 3.389 20 5 CGBDRO CCC(C)(C)[NH+]1CCN(c2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001163623636 806795099 /nfs/dbraw/zinc/79/50/99/806795099.db2.gz GFRQMCAVXFJPKY-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000712551652 800093852 /nfs/dbraw/zinc/09/38/52/800093852.db2.gz YYZFELWLMNOWLB-SNVBAGLBSA-N 1 0 285.294 3.039 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccns1 ZINC000715929191 800153655 /nfs/dbraw/zinc/15/36/55/800153655.db2.gz BUUHBRSMHQJTHS-UWVGGRQHSA-N 1 0 277.349 3.463 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CC3)CCC2)cc1F ZINC000717843390 800205983 /nfs/dbraw/zinc/20/59/83/800205983.db2.gz QCYLYAAGZQHGSI-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC001167487329 807199667 /nfs/dbraw/zinc/19/96/67/807199667.db2.gz KBWHIPALFRCCDF-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1ccc(CCC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)s1 ZINC001168963616 807542632 /nfs/dbraw/zinc/54/26/32/807542632.db2.gz PBRSNERSOQIRPF-QWHCGFSZSA-N 1 0 282.409 3.024 20 5 CGBDRO Cc1ccc(CCC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)s1 ZINC001168963615 807542783 /nfs/dbraw/zinc/54/27/83/807542783.db2.gz PBRSNERSOQIRPF-OLZOCXBDSA-N 1 0 282.409 3.024 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001168968770 807543546 /nfs/dbraw/zinc/54/35/46/807543546.db2.gz AJAORYLUCCGPLD-PBHICJAKSA-N 1 0 284.359 3.375 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC001168968429 807544209 /nfs/dbraw/zinc/54/42/09/807544209.db2.gz ZAJJIDXRDGIEOI-NXEZZACHSA-N 1 0 286.734 3.014 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(OC)c1 ZINC001168984999 807547184 /nfs/dbraw/zinc/54/71/84/807547184.db2.gz BXTWLGANHXVMSV-XNRPHZJLSA-N 1 0 292.379 3.181 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168985840 807547225 /nfs/dbraw/zinc/54/72/25/807547225.db2.gz VEBIFARZKFUYSC-NFAWXSAZSA-N 1 0 262.353 3.091 20 5 CGBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168984621 807547228 /nfs/dbraw/zinc/54/72/28/807547228.db2.gz PCEAXCOEBFFLJE-YCPHGPKFSA-N 1 0 276.380 3.399 20 5 CGBDRO C[C@H](CC1CCCCC1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987585 807547788 /nfs/dbraw/zinc/54/77/88/807547788.db2.gz JPJVYRJAOOMWKJ-YUELXQCFSA-N 1 0 268.401 3.380 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1C ZINC001168987936 807548272 /nfs/dbraw/zinc/54/82/72/807548272.db2.gz LKROFQPLNCSNKE-OFQRWUPVSA-N 1 0 276.380 3.399 20 5 CGBDRO CCCC1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168989850 807548335 /nfs/dbraw/zinc/54/83/35/807548335.db2.gz XEESPFQYSATZFQ-JYVUQVBGSA-N 1 0 268.401 3.380 20 5 CGBDRO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169001050 807549201 /nfs/dbraw/zinc/54/92/01/807549201.db2.gz CNZZCZOXIYNMNV-BFHYXJOUSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCc3ccccc32)C1 ZINC001169006981 807551672 /nfs/dbraw/zinc/55/16/72/807551672.db2.gz ZZSKGRDNCSVADE-FVQBIDKESA-N 1 0 288.391 3.142 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001169038168 807557074 /nfs/dbraw/zinc/55/70/74/807557074.db2.gz WJJNSBCDKXFRMS-XNRPHZJLSA-N 1 0 292.354 3.060 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040204 807557928 /nfs/dbraw/zinc/55/79/28/807557928.db2.gz YSCSFNLCYFGYDG-HIFRSBDPSA-N 1 0 280.343 3.093 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]CC2CCCC2)c([N+](=O)[O-])c1 ZINC001170298760 807819931 /nfs/dbraw/zinc/81/99/31/807819931.db2.gz NTMABRPDMJXECB-GFCCVEGCSA-N 1 0 292.379 3.314 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C2CCC2)c([N+](=O)[O-])c1 ZINC001170326438 807827328 /nfs/dbraw/zinc/82/73/28/807827328.db2.gz JTSQQTJMMSVKSH-NEPJUHHUSA-N 1 0 292.379 3.313 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909457 808476082 /nfs/dbraw/zinc/47/60/82/808476082.db2.gz RYPVNIHISGTXJX-DOMZBBRYSA-N 1 0 274.364 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCC(F)CC1)CC2 ZINC001172909241 808476530 /nfs/dbraw/zinc/47/65/30/808476530.db2.gz RJIHQDYPPNQRPC-OAHLLOKOSA-N 1 0 292.354 3.276 20 5 CGBDRO CCC(CC)[NH2+][C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175008 808531764 /nfs/dbraw/zinc/53/17/64/808531764.db2.gz IMXKWKDDGXZECT-SNVBAGLBSA-N 1 0 298.358 3.452 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@H](C)C2)c1F ZINC001173181804 808533480 /nfs/dbraw/zinc/53/34/80/808533480.db2.gz PWDNKCDSRFRBPH-QWRGUYRKSA-N 1 0 296.342 3.015 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccccn1 ZINC001173210399 808537490 /nfs/dbraw/zinc/53/74/90/808537490.db2.gz KILNSTUOIDHDEL-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC1CCCC1 ZINC001173220269 808540419 /nfs/dbraw/zinc/54/04/19/808540419.db2.gz XCODLKZHYDPTKR-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CO[C@H]1CC[C@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173234109 808542424 /nfs/dbraw/zinc/54/24/24/808542424.db2.gz MTAWPQYKPSXEOG-NOLJZWGESA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](F)CC1 ZINC001173229394 808542766 /nfs/dbraw/zinc/54/27/66/808542766.db2.gz UEGFEJBNKVNYBA-GXTWGEPZSA-N 1 0 280.343 3.350 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001174623381 809107182 /nfs/dbraw/zinc/10/71/82/809107182.db2.gz QNMOSYHDWJGXFH-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC001180280837 809988986 /nfs/dbraw/zinc/98/89/86/809988986.db2.gz NRYCZSFRMRSHRW-TZMCWYRMSA-N 1 0 292.379 3.211 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001217949783 816013025 /nfs/dbraw/zinc/01/30/25/816013025.db2.gz HDWXCOIJXPUHAI-LJGSYFOKSA-N 1 0 291.134 3.031 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cccc(OC3CC[NH2+]CC3)c2)c1 ZINC001217963803 816019639 /nfs/dbraw/zinc/01/96/39/816019639.db2.gz RQWOCUZVMUPXMZ-UHFFFAOYSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C1CC[NH2+]CC1 ZINC001218004283 816047138 /nfs/dbraw/zinc/04/71/38/816047138.db2.gz DPXDJSGZNSAUBU-SECBINFHSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C[NH2+]1 ZINC001218039516 816069884 /nfs/dbraw/zinc/06/98/84/816069884.db2.gz AOJBLVKJPZVTML-IUODEOHRSA-N 1 0 298.342 3.391 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc2ccccc2c1[N+](=O)[O-] ZINC001218044309 816071337 /nfs/dbraw/zinc/07/13/37/816071337.db2.gz SUXGOTYFEZPDET-IAQYHMDHSA-N 1 0 286.331 3.125 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218054078 816076566 /nfs/dbraw/zinc/07/65/66/816076566.db2.gz WQHOPBUDJUNOIH-GXFFZTMASA-N 1 0 278.352 3.039 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218066601 816084580 /nfs/dbraw/zinc/08/45/80/816084580.db2.gz MGEOJKZQDLQDHF-HUUCEWRRSA-N 1 0 296.345 3.467 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218066602 816085023 /nfs/dbraw/zinc/08/50/23/816085023.db2.gz MGEOJKZQDLQDHF-LSDHHAIUSA-N 1 0 296.345 3.467 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218068746 816085670 /nfs/dbraw/zinc/08/56/70/816085670.db2.gz FTUISTFHEQFPEX-IRXDYDNUSA-N 1 0 296.345 3.467 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218122043 816107445 /nfs/dbraw/zinc/10/74/45/816107445.db2.gz ZGRQHCXZRAWUHM-KGLIPLIRSA-N 1 0 296.754 3.078 20 5 CGBDRO c1ccc2c(c1)nc(O[C@@H]1C[C@@H]3C[NH2+]C[C@H]13)c1ccccc21 ZINC001218325273 816167087 /nfs/dbraw/zinc/16/70/87/816167087.db2.gz KXJLZMRKFOWFGL-PZPSRYQVSA-N 1 0 290.366 3.375 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218441270 816214047 /nfs/dbraw/zinc/21/40/47/816214047.db2.gz DGMGXDKZUYDNCP-IXPVHAAZSA-N 1 0 290.363 3.022 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001218472104 816230689 /nfs/dbraw/zinc/23/06/89/816230689.db2.gz NDMWRWRNZLIHBG-CYBMUJFWSA-N 1 0 278.352 3.121 20 5 CGBDRO CC1(C)C[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC[NH2+]1 ZINC001218473419 816231141 /nfs/dbraw/zinc/23/11/41/816231141.db2.gz YVRUZWGOZQTHIM-SNVBAGLBSA-N 1 0 284.743 3.158 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001218483198 816237477 /nfs/dbraw/zinc/23/74/77/816237477.db2.gz JWKDQCNILXXNLM-WBMJQRKESA-N 1 0 293.370 3.160 20 5 CGBDRO COc1ccc([C@H](OCC[N+](C)(C)C)C(C)C)cc1 ZINC001224772449 816878229 /nfs/dbraw/zinc/87/82/29/816878229.db2.gz ABDXKZCLXOIROF-MRXNPFEDSA-N 1 0 266.405 3.115 20 5 CGBDRO C[NH+]1C(C)(C)CC(Oc2ccc([N+](=O)[O-])cn2)CC1(C)C ZINC001225634342 817121188 /nfs/dbraw/zinc/12/11/88/817121188.db2.gz UXVGSXJMQBGKDC-UHFFFAOYSA-N 1 0 293.367 3.020 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C)ccc1[N+](=O)[O-] ZINC001225683731 817140504 /nfs/dbraw/zinc/14/05/04/817140504.db2.gz VTQBIHFPARADBR-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(C(F)(F)F)c1F ZINC001225923325 817217821 /nfs/dbraw/zinc/21/78/21/817217821.db2.gz CGQBRMXZIAPGJS-VIFPVBQESA-N 1 0 280.285 3.318 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH+]3CCC2CC3)c2ccccc21 ZINC001226509826 817379694 /nfs/dbraw/zinc/37/96/94/817379694.db2.gz VPHSMOAQNXQUOZ-KRWDZBQOSA-N 1 0 298.342 3.221 20 5 CGBDRO C[NH+]1CCC(Oc2ccc([N+](=O)[O-])c3ccccc23)CC1 ZINC001226509394 817380062 /nfs/dbraw/zinc/38/00/62/817380062.db2.gz QKSLRAWEMOWKMO-UHFFFAOYSA-N 1 0 286.331 3.221 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226511805 817380460 /nfs/dbraw/zinc/38/04/60/817380460.db2.gz JZOOETHTVZTBGZ-CYBMUJFWSA-N 1 0 295.338 3.029 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226762935 817457835 /nfs/dbraw/zinc/45/78/35/817457835.db2.gz YLFZJDBZMKRVRZ-LBPRGKRZSA-N 1 0 298.770 3.500 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OC2CC[NH+](C3CC3)CC2)c1 ZINC001226811029 817472486 /nfs/dbraw/zinc/47/24/86/817472486.db2.gz UZNILFLEKJOZTG-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO COc1ccc2cccc(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001226874219 817491225 /nfs/dbraw/zinc/49/12/25/817491225.db2.gz HJMZWWQOZMTHAK-ZDUSSCGKSA-N 1 0 274.384 3.322 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226989167 817527006 /nfs/dbraw/zinc/52/70/06/817527006.db2.gz LEEMMNZGNQQDBO-LLVKDONJSA-N 1 0 298.770 3.420 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OC(F)(F)F)c(F)c1 ZINC001227627132 817686190 /nfs/dbraw/zinc/68/61/90/817686190.db2.gz BFDKKMGOUUEWGC-VIFPVBQESA-N 1 0 296.284 3.198 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2cccc3cc4ccccc4nc32)C1 ZINC001228173178 817831726 /nfs/dbraw/zinc/83/17/26/817831726.db2.gz IKOJCTUDYXWWMU-OAHLLOKOSA-N 1 0 278.355 3.471 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccnc2c1ccc1cccnc12 ZINC001234086403 818775823 /nfs/dbraw/zinc/77/58/23/818775823.db2.gz FGXYAQBWFZHGDN-ZDUSSCGKSA-N 1 0 296.394 3.257 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C/C2CC2)cc1Cl ZINC001343972491 936521089 /nfs/dbraw/zinc/52/10/89/936521089.db2.gz HTPYAIHLMAAVHJ-OWOJBTEDSA-N 1 0 266.728 3.304 20 5 CGBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cnc1F ZINC001355284567 937134647 /nfs/dbraw/zinc/13/46/47/937134647.db2.gz VGJKHOOSEOAWTQ-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774271 927575017 /nfs/dbraw/zinc/57/50/17/927575017.db2.gz ZATSGYDXFASXQR-SNVBAGLBSA-N 1 0 254.305 3.212 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC001460902850 928748792 /nfs/dbraw/zinc/74/87/92/928748792.db2.gz TWTKSPFCUUSACU-LLVKDONJSA-N 1 0 266.316 3.498 20 5 CGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC001460267001 937523648 /nfs/dbraw/zinc/52/36/48/937523648.db2.gz XKESUXWHFHCXRP-HUUCEWRRSA-N 1 0 292.379 3.388 20 5 CGBDRO COc1ccc([C@@H](C)OCCC[N+](C)(C)C)c(F)c1 ZINC001224621508 932037946 /nfs/dbraw/zinc/03/79/46/932037946.db2.gz WASAZOASFQEKIX-GFCCVEGCSA-N 1 0 270.368 3.008 20 5 CGBDRO CC(=O)c1cc(C)c2c(c1O[C@@H](C)C[N+](C)(C)C)CCC2 ZINC001229176457 932110355 /nfs/dbraw/zinc/11/03/55/932110355.db2.gz YHCGJDWXPHRDFB-ZDUSSCGKSA-N 1 0 290.427 3.160 20 5 CGBDRO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001461161596 937567017 /nfs/dbraw/zinc/56/70/17/937567017.db2.gz UMKFYJWHYQWMPI-DOMZBBRYSA-N 1 0 292.379 3.388 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC001461235029 937571555 /nfs/dbraw/zinc/57/15/55/937571555.db2.gz PJNIBQJTEBFCQQ-OAHLLOKOSA-N 1 0 271.320 3.231 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001230723316 932615131 /nfs/dbraw/zinc/61/51/31/932615131.db2.gz HZHRMUSNELLVQJ-CYBMUJFWSA-N 1 0 278.352 3.073 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307150303 932922134 /nfs/dbraw/zinc/92/21/34/932922134.db2.gz WQVMYKRKGBLFKU-CHWSQXEVSA-N 1 0 297.786 3.389 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC001308132861 933053852 /nfs/dbraw/zinc/05/38/52/933053852.db2.gz COIKFFUISJJXIN-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC001318387483 933718322 /nfs/dbraw/zinc/71/83/22/933718322.db2.gz ZJHJRKVEYCYLCK-DGCLKSJQSA-N 1 0 281.331 3.019 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1CC2(CC2(F)F)C1 ZINC001327793254 935085119 /nfs/dbraw/zinc/08/51/19/935085119.db2.gz SEFDWTGJFSWDMV-HWKANZROSA-N 1 0 294.301 3.385 20 5 CGBDRO CO[C@H](CN1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001330547868 935294662 /nfs/dbraw/zinc/29/46/62/935294662.db2.gz SSFFIVGZCDAZKU-MRXNPFEDSA-N 1 0 290.363 3.116 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(F)c2)cc1[N+](=O)[O-] ZINC001331499315 935385719 /nfs/dbraw/zinc/38/57/19/935385719.db2.gz RWLIEXMMEJWCRC-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC1CCOCC1 ZINC001332313528 935458741 /nfs/dbraw/zinc/45/87/41/935458741.db2.gz KYMMYGQZZYVXDS-UHFFFAOYSA-N 1 0 292.379 3.118 20 5 CGBDRO C[C@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC001336045864 936173700 /nfs/dbraw/zinc/17/37/00/936173700.db2.gz IICFSDLOTNDJPG-ZJUUUORDSA-N 1 0 290.285 3.064 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@H](F)C2)cc1 ZINC001336757454 936213940 /nfs/dbraw/zinc/21/39/40/936213940.db2.gz HIRPVKCRNOLXQE-QWHCGFSZSA-N 1 0 266.316 3.008 20 5 CGBDRO Cc1cc(F)ncc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001336761461 936215593 /nfs/dbraw/zinc/21/55/93/936215593.db2.gz OUAJRZQUVWKUDC-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001474029931 937836890 /nfs/dbraw/zinc/83/68/90/937836890.db2.gz ZPSPOHBWZCCDDG-GOEBONIOSA-N 1 0 292.379 3.136 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC001559104045 938220439 /nfs/dbraw/zinc/22/04/39/938220439.db2.gz ZZDYMDOIFYETFB-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO CC[C@@H]1C[N@H+](C)CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001559223918 938222926 /nfs/dbraw/zinc/22/29/26/938222926.db2.gz PSVSJFIILZATHA-GFCCVEGCSA-N 1 0 297.786 3.169 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001560502335 938260694 /nfs/dbraw/zinc/26/06/94/938260694.db2.gz LVGKKDCTCYXHGY-NSHDSACASA-N 1 0 299.168 3.245 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H]1[C@@H]1C[C@H]1C ZINC001560594172 938264513 /nfs/dbraw/zinc/26/45/13/938264513.db2.gz DHJLZUGKYJFFHU-IKVITTDRSA-N 1 0 274.364 3.346 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC001560649739 938268051 /nfs/dbraw/zinc/26/80/51/938268051.db2.gz QTTAIIUPYOTLNA-LLVKDONJSA-N 1 0 296.367 3.177 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC001579733956 962666132 /nfs/dbraw/zinc/66/61/32/962666132.db2.gz GUUMNQOEXVBCTE-BYCMXARLSA-N 1 0 289.379 3.092 20 5 CGBDRO C[C@@H](CF)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000590370086 346844567 /nfs/dbraw/zinc/84/45/67/346844567.db2.gz VFKQMPYMOCQENW-SGMGOOAPSA-N 1 0 280.343 3.254 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCSC1)CCCC2 ZINC000591348357 346916857 /nfs/dbraw/zinc/91/68/57/346916857.db2.gz WSYBUXSCOFEKCD-WFASDCNBSA-N 1 0 292.404 3.457 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414293379 529667595 /nfs/dbraw/zinc/66/75/95/529667595.db2.gz MLXMFUFQTCDZAN-BYCMXARLSA-N 1 0 280.368 3.041 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C2CC=CC2)c1 ZINC000591501576 346927187 /nfs/dbraw/zinc/92/71/87/346927187.db2.gz XKLJRAWRXXIVEM-UHFFFAOYSA-N 1 0 284.262 3.004 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@@H]1C ZINC000592380925 346981678 /nfs/dbraw/zinc/98/16/78/346981678.db2.gz VDXPIZDRFZKVFO-RORWZZOSSA-N 1 0 292.404 3.482 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000592397499 346983674 /nfs/dbraw/zinc/98/36/74/346983674.db2.gz MJZYMPJOMKGJDE-IACUBPJLSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000592397456 346983790 /nfs/dbraw/zinc/98/37/90/346983790.db2.gz LIUCJZWTJBSASM-FPMFFAJLSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000592397512 346983947 /nfs/dbraw/zinc/98/39/47/346983947.db2.gz MRGWUUMFIICFII-LNSITVRQSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000034031185 344937359 /nfs/dbraw/zinc/93/73/59/344937359.db2.gz JSOFGFPBZSHDPT-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccccc2F)cc1 ZINC000035677579 344942830 /nfs/dbraw/zinc/94/28/30/344942830.db2.gz FPHFFGZESLYQBA-UHFFFAOYSA-N 1 0 288.322 3.109 20 5 CGBDRO Cc1ccc(N[C@@H](C)C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000037059660 344947084 /nfs/dbraw/zinc/94/70/84/344947084.db2.gz LZGQJGGRHJSOIV-LBPRGKRZSA-N 1 0 277.368 3.045 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1Cc2ccccc21 ZINC000037565688 344951207 /nfs/dbraw/zinc/95/12/07/344951207.db2.gz CCEARNKXGDAALW-CQSZACIVSA-N 1 0 268.316 3.024 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2Cc3ccccc32)cc1[N+](=O)[O-] ZINC000037565980 344951383 /nfs/dbraw/zinc/95/13/83/344951383.db2.gz XBWLWCOLDBVNLK-OAHLLOKOSA-N 1 0 282.343 3.333 20 5 CGBDRO CCC[C@@H](CC)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050403430 345082056 /nfs/dbraw/zinc/08/20/56/345082056.db2.gz IPVTXCLKAJKTLL-GFCCVEGCSA-N 1 0 266.341 3.142 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000061757817 345232907 /nfs/dbraw/zinc/23/29/07/345232907.db2.gz PQLVCPFOQCEQRT-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC1CCCC1 ZINC000064021325 345256429 /nfs/dbraw/zinc/25/64/29/345256429.db2.gz QWPCYXJPOPNXBM-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021390 345489769 /nfs/dbraw/zinc/48/97/69/345489769.db2.gz YNWYLLYADASUDL-GXSJLCMTSA-N 1 0 254.355 3.277 20 5 CGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C)C1 ZINC000080652681 345681489 /nfs/dbraw/zinc/68/14/89/345681489.db2.gz UWDYTPWOMMYDIE-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000090810021 345794467 /nfs/dbraw/zinc/79/44/67/345794467.db2.gz SYKPTYHBSMKNAG-SWLSCSKDSA-N 1 0 294.395 3.289 20 5 CGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090811321 345795421 /nfs/dbraw/zinc/79/54/21/345795421.db2.gz TZJIDALDPINAEM-SWLSCSKDSA-N 1 0 294.395 3.289 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCc3ccccc32)c1 ZINC000090909840 345796943 /nfs/dbraw/zinc/79/69/43/345796943.db2.gz KXPCLHKRNLPKAG-KRWDZBQOSA-N 1 0 282.343 3.414 20 5 CGBDRO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ncc[nH]1 ZINC000139877726 346102432 /nfs/dbraw/zinc/10/24/32/346102432.db2.gz VDDVKYWNHMTDCR-SSDOTTSWSA-N 1 0 266.688 3.144 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1Cc2ccccc2C1 ZINC000141156192 346107030 /nfs/dbraw/zinc/10/70/30/346107030.db2.gz MHJSQEANZSQHTD-UHFFFAOYSA-N 1 0 282.343 3.194 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000180367995 232408253 /nfs/dbraw/zinc/40/82/53/232408253.db2.gz ULIKNPLOTDNCOJ-CQSZACIVSA-N 1 0 292.379 3.339 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000220598542 346295776 /nfs/dbraw/zinc/29/57/76/346295776.db2.gz KHMBFPNWPTXIOW-OPQQBVKSSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747079 346482374 /nfs/dbraw/zinc/48/23/74/346482374.db2.gz QNACKZAXFVCWJC-TZMCWYRMSA-N 1 0 293.342 3.081 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594045274 347144132 /nfs/dbraw/zinc/14/41/32/347144132.db2.gz UWPHOEGBRPIWDI-GJZGRUSLSA-N 1 0 296.342 3.171 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000594590778 347196944 /nfs/dbraw/zinc/19/69/44/347196944.db2.gz BAVDPLYHGWEJJK-JGZJWPJOSA-N 1 0 283.759 3.000 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000594496170 347178666 /nfs/dbraw/zinc/17/86/66/347178666.db2.gz ITHSJYGBALQPAG-WCQYABFASA-N 1 0 280.393 3.011 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCSC1 ZINC000594522565 347189023 /nfs/dbraw/zinc/18/90/23/347189023.db2.gz LXPDERQUXOOLAI-RISCZKNCSA-N 1 0 292.404 3.315 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1C(C)(C)C1(F)F ZINC000594991872 347250761 /nfs/dbraw/zinc/25/07/61/347250761.db2.gz LTGBZNQKKBNNMM-GFCCVEGCSA-N 1 0 284.306 3.284 20 5 CGBDRO CC([NH2+]Cc1ccc([N+](=O)[O-])cc1)(C1CC1)C1CC1 ZINC000594993343 347251038 /nfs/dbraw/zinc/25/10/38/347251038.db2.gz OVSNQVKZYKSHLN-UHFFFAOYSA-N 1 0 260.337 3.263 20 5 CGBDRO COc1ccc(C[NH2+]C2(CC(C)C)CC2)cc1[N+](=O)[O-] ZINC000595000445 347252833 /nfs/dbraw/zinc/25/28/33/347252833.db2.gz MBVJRMYOTWODQN-UHFFFAOYSA-N 1 0 278.352 3.272 20 5 CGBDRO COCc1csc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000594920906 347230312 /nfs/dbraw/zinc/23/03/12/347230312.db2.gz BRIVSKOQPCLRAD-UHFFFAOYSA-N 1 0 292.360 3.093 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccco2)c(F)c1 ZINC000594998281 347252884 /nfs/dbraw/zinc/25/28/84/347252884.db2.gz VJMDRZOPRJRPBJ-UHFFFAOYSA-N 1 0 278.283 3.049 20 5 CGBDRO CSCC1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000594963217 347243244 /nfs/dbraw/zinc/24/32/44/347243244.db2.gz KVPAOAGHRKJMGI-UHFFFAOYSA-N 1 0 280.393 3.218 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109088 347285161 /nfs/dbraw/zinc/28/51/61/347285161.db2.gz SUENRGSTYQBQFM-HIFRSBDPSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@]3(CC=CCC3)C2)c1[N+](=O)[O-] ZINC000595325742 347291774 /nfs/dbraw/zinc/29/17/74/347291774.db2.gz VPGOKFCRYWJQDT-OAHLLOKOSA-N 1 0 291.351 3.214 20 5 CGBDRO CCC(CC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006928 347255185 /nfs/dbraw/zinc/25/51/85/347255185.db2.gz MWFGTNCLYKFJLI-SNVBAGLBSA-N 1 0 266.341 3.443 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595016113 347258143 /nfs/dbraw/zinc/25/81/43/347258143.db2.gz QHCQUJRDQLVJFU-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1(C(C)C)CC1 ZINC000595038814 347265455 /nfs/dbraw/zinc/26/54/55/347265455.db2.gz OSHBZISEBCRSGD-LLVKDONJSA-N 1 0 278.352 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC=C(C)C ZINC000595040931 347266420 /nfs/dbraw/zinc/26/64/20/347266420.db2.gz NMQUKKKNLLBLNR-LLVKDONJSA-N 1 0 264.325 3.220 20 5 CGBDRO CC[C@@H]([NH2+]CCC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000595047718 347268800 /nfs/dbraw/zinc/26/88/00/347268800.db2.gz FWDPHSSUKLSRRD-VDSRIPIWSA-N 1 0 292.379 3.451 20 5 CGBDRO COC1CC(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595047178 347268916 /nfs/dbraw/zinc/26/89/16/347268916.db2.gz BORKXTLCSWQPNE-BZUNDVKYSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000595049793 347269190 /nfs/dbraw/zinc/26/91/90/347269190.db2.gz OQBPLNMYUBFBKG-STQMWFEESA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595053965 347271026 /nfs/dbraw/zinc/27/10/26/347271026.db2.gz KQBNQDBTPWSLJQ-IUODEOHRSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425932 347301658 /nfs/dbraw/zinc/30/16/58/347301658.db2.gz VKRQNFQUROYHBB-CHWSQXEVSA-N 1 0 289.379 3.174 20 5 CGBDRO C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000595056930 347272635 /nfs/dbraw/zinc/27/26/35/347272635.db2.gz SZGQVLGNLPVCIX-GXTWGEPZSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1cc([C@@H](C)NCc2onc(C)c2[N+](=O)[O-])c(C)s1 ZINC000595415699 347300403 /nfs/dbraw/zinc/30/04/03/347300403.db2.gz MYTSTVJYLSSHBG-MRVPVSSYSA-N 1 0 295.364 3.420 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC2CCC(O)CC2)cccc1[N+](=O)[O-] ZINC000595092636 347280943 /nfs/dbraw/zinc/28/09/43/347280943.db2.gz MMWIZAUVFZQRRF-IYXRBSQSSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000595641427 347331805 /nfs/dbraw/zinc/33/18/05/347331805.db2.gz LZCLKAJALURAPR-UHFFFAOYSA-N 1 0 293.367 3.438 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)c1[N+](=O)[O-] ZINC000595441178 347303974 /nfs/dbraw/zinc/30/39/74/347303974.db2.gz USNHUDZWJJUERB-GXSJLCMTSA-N 1 0 281.356 3.196 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595456455 347306141 /nfs/dbraw/zinc/30/61/41/347306141.db2.gz XVNVXTYVWWCWRZ-ZWNOBZJWSA-N 1 0 266.316 3.402 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595543479 347317410 /nfs/dbraw/zinc/31/74/10/347317410.db2.gz JYXKWNYOXFDKDQ-BMIGLBTASA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC1=CCSC1 ZINC000595895622 347370769 /nfs/dbraw/zinc/37/07/69/347370769.db2.gz QTSFOPBLDQXNLJ-LLVKDONJSA-N 1 0 278.377 3.261 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C)sc2[N+](=O)[O-])C1 ZINC000596090010 347382415 /nfs/dbraw/zinc/38/24/15/347382415.db2.gz TVCUKUCIEVXMKG-LLVKDONJSA-N 1 0 283.397 3.109 20 5 CGBDRO CCC[C@@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596649379 347497803 /nfs/dbraw/zinc/49/78/03/347497803.db2.gz ZMPZVGQYROUEFH-OAHLLOKOSA-N 1 0 291.395 3.297 20 5 CGBDRO Cc1ccc(C(C)(C)C[NH2+]Cc2ccccc2[N+](=O)[O-])nc1 ZINC000598991833 347704477 /nfs/dbraw/zinc/70/44/77/347704477.db2.gz SWKDVJZCHSKBLN-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CC=CCC2)cs1 ZINC000599001526 347705610 /nfs/dbraw/zinc/70/56/10/347705610.db2.gz UDDISPGAVZRGLB-NSHDSACASA-N 1 0 266.366 3.492 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599069853 347713811 /nfs/dbraw/zinc/71/38/11/347713811.db2.gz WBYIXHLQXGILHH-ZFWWWQNUSA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599070260 347714081 /nfs/dbraw/zinc/71/40/81/347714081.db2.gz YBYPQTDVPBPPNY-TZMCWYRMSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F ZINC000599512393 347749577 /nfs/dbraw/zinc/74/95/77/347749577.db2.gz JHUHKYOTRGDMNN-GHMZBOCLSA-N 1 0 284.306 3.318 20 5 CGBDRO C[C@]1(C[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCS1 ZINC000600142979 347784026 /nfs/dbraw/zinc/78/40/26/347784026.db2.gz UWBTYXDQGHNQGH-CQSZACIVSA-N 1 0 280.393 3.013 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)C2CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000600157053 347785948 /nfs/dbraw/zinc/78/59/48/347785948.db2.gz UJRUOCFKSSXFPE-SNVBAGLBSA-N 1 0 284.306 3.427 20 5 CGBDRO CC1(c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)CC[NH2+]CC1 ZINC000600789349 347836320 /nfs/dbraw/zinc/83/63/20/347836320.db2.gz REAQLGLAXWTNNX-UHFFFAOYSA-N 1 0 297.358 3.298 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)cc1 ZINC000601156139 347876337 /nfs/dbraw/zinc/87/63/37/347876337.db2.gz LNFFJSVYBPCMKG-HZPDHXFCSA-N 1 0 290.363 3.032 20 5 CGBDRO CC(C)(C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602510839 347972961 /nfs/dbraw/zinc/97/29/61/347972961.db2.gz PLLWQBMQJRTELX-UHFFFAOYSA-N 1 0 277.324 3.262 20 5 CGBDRO CCC[C@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC000602612311 347993802 /nfs/dbraw/zinc/99/38/02/347993802.db2.gz OUSIKMLXBFBWTM-CQSZACIVSA-N 1 0 280.368 3.235 20 5 CGBDRO CC1(C)[C@@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000602714728 348015717 /nfs/dbraw/zinc/01/57/17/348015717.db2.gz UXVDGHGSKJFZOF-GFCCVEGCSA-N 1 0 284.306 3.018 20 5 CGBDRO CC1(C)[C@H](C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C1(F)F ZINC000602714729 348015861 /nfs/dbraw/zinc/01/58/61/348015861.db2.gz UXVDGHGSKJFZOF-LBPRGKRZSA-N 1 0 284.306 3.018 20 5 CGBDRO CSC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000602727241 348019264 /nfs/dbraw/zinc/01/92/64/348019264.db2.gz YSVSTVVZLAWNRZ-XQRVVYSFSA-N 1 0 292.404 3.435 20 5 CGBDRO CC(C)c1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)on1 ZINC000602546424 347978836 /nfs/dbraw/zinc/97/88/36/347978836.db2.gz SCTYYCNBFXSLAA-UHFFFAOYSA-N 1 0 289.335 3.039 20 5 CGBDRO CCC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000604083933 348109525 /nfs/dbraw/zinc/10/95/25/348109525.db2.gz AOIBQKMIOBIKSL-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609595597 348348557 /nfs/dbraw/zinc/34/85/57/348348557.db2.gz RKNLURJZBDPGHE-LLVKDONJSA-N 1 0 283.397 3.333 20 5 CGBDRO Cc1cc(N2CCC[N@@H+](C(C)(C)C)CC2)ccc1[N+](=O)[O-] ZINC000609560650 348346750 /nfs/dbraw/zinc/34/67/50/348346750.db2.gz DTIXPAPKZLIGIN-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000610215247 348366861 /nfs/dbraw/zinc/36/68/61/348366861.db2.gz HAVBRJYTWGAPPV-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610215441 348367543 /nfs/dbraw/zinc/36/75/43/348367543.db2.gz SLACGJQKOSOMAA-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610372173 348380594 /nfs/dbraw/zinc/38/05/94/348380594.db2.gz HFMIRNIDGDQVOP-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581070 348391260 /nfs/dbraw/zinc/39/12/60/348391260.db2.gz GGZOGEUOQWPLLJ-JTQLQIEISA-N 1 0 277.324 3.212 20 5 CGBDRO CCC(CC)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610580814 348391423 /nfs/dbraw/zinc/39/14/23/348391423.db2.gz NGRQNDXHRIVKHQ-UHFFFAOYSA-N 1 0 263.297 3.014 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCO[C@@H](C(C)C)C1 ZINC000273357874 192124923 /nfs/dbraw/zinc/12/49/23/192124923.db2.gz CNOWCMVPDJJDPZ-GDBMZVCRSA-N 1 0 292.379 3.196 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000610716004 348398863 /nfs/dbraw/zinc/39/88/63/348398863.db2.gz ZPBSSQFWIQNDCW-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CCOC2)CC1 ZINC000611178262 348426386 /nfs/dbraw/zinc/42/63/86/348426386.db2.gz SOMNHYYUBSAJQS-CYBMUJFWSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CCOC2)CC1 ZINC000611178623 348426497 /nfs/dbraw/zinc/42/64/97/348426497.db2.gz ZGVOFWWTDMXHIT-CYBMUJFWSA-N 1 0 290.363 3.158 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOC[C@@H]1C ZINC000615835241 348767840 /nfs/dbraw/zinc/76/78/40/348767840.db2.gz CWSZXQPLFNWREZ-SSUFTNFISA-N 1 0 290.363 3.109 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000121952077 187006789 /nfs/dbraw/zinc/00/67/89/187006789.db2.gz DQHNZBZHSQNFMY-ZDUSSCGKSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124122548 187123234 /nfs/dbraw/zinc/12/32/34/187123234.db2.gz ZEFYNXMGVKEFOB-UKRRQHHQSA-N 1 0 292.379 3.110 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000123264095 187081466 /nfs/dbraw/zinc/08/14/66/187081466.db2.gz URHGLIUCNSAVGP-AOOOYVTPSA-N 1 0 252.289 3.107 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000271515088 191186139 /nfs/dbraw/zinc/18/61/39/191186139.db2.gz PKBHQNYSSIWYOS-PWSUYJOCSA-N 1 0 296.392 3.150 20 5 CGBDRO CC(C)([NH2+]C/C=C/Cl)c1ccccc1[N+](=O)[O-] ZINC000292128182 198173813 /nfs/dbraw/zinc/17/38/13/198173813.db2.gz KZSIGTFCTDZZGV-VMPITWQZSA-N 1 0 254.717 3.172 20 5 CGBDRO CC[C@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152206292 188001834 /nfs/dbraw/zinc/00/18/34/188001834.db2.gz RABMPQGVPYMHNW-NWDGAFQWSA-N 1 0 250.342 3.304 20 5 CGBDRO CC[C@@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000152206030 188002344 /nfs/dbraw/zinc/00/23/44/188002344.db2.gz RABMPQGVPYMHNW-NEPJUHHUSA-N 1 0 250.342 3.304 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+](C2CCC2)C2CCC2)c1 ZINC000292449287 198292725 /nfs/dbraw/zinc/29/27/25/198292725.db2.gz PGTLYJZYDFWADX-INIZCTEOSA-N 1 0 290.363 3.035 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564659 188269215 /nfs/dbraw/zinc/26/92/15/188269215.db2.gz UMUXGTWZPATWJF-NFAWXSAZSA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]Cc2ccn(C)c2)cccc1[N+](=O)[O-] ZINC000158518224 188379843 /nfs/dbraw/zinc/37/98/43/188379843.db2.gz VJECRBIBOOPPOL-GFCCVEGCSA-N 1 0 273.336 3.093 20 5 CGBDRO C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1cccc([N+](=O)[O-])c1 ZINC000271726172 191293571 /nfs/dbraw/zinc/29/35/71/191293571.db2.gz YTIHPTXLKGINAG-UKRRQHHQSA-N 1 0 291.395 3.120 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414186639 235357965 /nfs/dbraw/zinc/35/79/65/235357965.db2.gz CUUPBQZGLLLGST-DGCLKSJQSA-N 1 0 280.368 3.226 20 5 CGBDRO CC(C)C1([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293566339 198687068 /nfs/dbraw/zinc/68/70/68/198687068.db2.gz AYGPMUDBHYBDMX-SNVBAGLBSA-N 1 0 263.341 3.016 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000295852132 199691333 /nfs/dbraw/zinc/69/13/33/199691333.db2.gz BFYLXUMWIAZSAY-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426828802 236317074 /nfs/dbraw/zinc/31/70/74/236317074.db2.gz WSVYXKBWYTXNAH-OKILXGFUSA-N 1 0 290.363 3.096 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000426831066 236317117 /nfs/dbraw/zinc/31/71/17/236317117.db2.gz CTHUTIPWDJQOEG-ZIAGYGMSSA-N 1 0 290.363 3.096 20 5 CGBDRO C[C@H](F)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429232291 236475453 /nfs/dbraw/zinc/47/54/53/236475453.db2.gz AWMFCTJBKXWEKB-JTQLQIEISA-N 1 0 254.305 3.168 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294802210 199189861 /nfs/dbraw/zinc/18/98/61/199189861.db2.gz PAJKJNIEQBVYQB-IINYFYTJSA-N 1 0 295.408 3.113 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H](C)C1 ZINC000436405811 237097491 /nfs/dbraw/zinc/09/74/91/237097491.db2.gz FIHSJIOWSABNAF-YPMHNXCESA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@H](C)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000451823239 240366311 /nfs/dbraw/zinc/36/63/11/240366311.db2.gz MXTZRWKEKKYKEL-UONOGXRCSA-N 1 0 291.395 3.072 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181235680 189291570 /nfs/dbraw/zinc/29/15/70/189291570.db2.gz FASULSKILDQAND-QWHCGFSZSA-N 1 0 280.368 3.369 20 5 CGBDRO CCSCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841622 189307906 /nfs/dbraw/zinc/30/79/06/189307906.db2.gz RBSUYRKPHQMJPR-LLVKDONJSA-N 1 0 268.382 3.307 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000301507567 201036379 /nfs/dbraw/zinc/03/63/79/201036379.db2.gz DFUQXJJPYJRFLF-WDEREUQCSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1ccc(NCC[N@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC000301566722 201071650 /nfs/dbraw/zinc/07/16/50/201071650.db2.gz ZJZXKWBRZHGGQO-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1ccc(N[C@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301597399 201089533 /nfs/dbraw/zinc/08/95/33/201089533.db2.gz SRQUIOLQYZKUSK-STQMWFEESA-N 1 0 277.368 3.188 20 5 CGBDRO CC[N@H+](CCNc1ccc(C)cc1[N+](=O)[O-])C(C)C ZINC000301834782 201223817 /nfs/dbraw/zinc/22/38/17/201223817.db2.gz WANSWQOKCOFIPM-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184584041 189390245 /nfs/dbraw/zinc/39/02/45/189390245.db2.gz UQLNGJFPRNIDAY-CHWSQXEVSA-N 1 0 278.352 3.142 20 5 CGBDRO CC1CC[NH+](CCCNc2sccc2[N+](=O)[O-])CC1 ZINC000301916613 201260375 /nfs/dbraw/zinc/26/03/75/201260375.db2.gz ADVPHGHHLZATEP-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])c(C)c1)C(C)C ZINC000301954303 201275852 /nfs/dbraw/zinc/27/58/52/201275852.db2.gz KIGANELMWDNHJJ-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO CCCC[NH+]1CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000302001813 201294939 /nfs/dbraw/zinc/29/49/39/201294939.db2.gz SDYDJOWTCSGEMX-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCCCC1 ZINC000449058754 239146357 /nfs/dbraw/zinc/14/63/57/239146357.db2.gz LTZKGEXZQYNKJG-GFCCVEGCSA-N 1 0 262.353 3.448 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1C ZINC000449134133 239198341 /nfs/dbraw/zinc/19/83/41/239198341.db2.gz HCNXELXODADCEL-BZPMIXESSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1cccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])c1F ZINC000449170197 239218630 /nfs/dbraw/zinc/21/86/30/239218630.db2.gz QNVAACLWLKQUJW-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C=CCCC1 ZINC000449187010 239231512 /nfs/dbraw/zinc/23/15/12/239231512.db2.gz CYVSXJMXKNSHGG-OCCSQVGLSA-N 1 0 260.337 3.224 20 5 CGBDRO C[NH+](C)CC1(CNc2ccccc2[N+](=O)[O-])CCCC1 ZINC000302173411 201381987 /nfs/dbraw/zinc/38/19/87/201381987.db2.gz VTOMPFKRIRQFIB-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C(C)(C)CN(C)C)cc1[N+](=O)[O-] ZINC000453602921 240968929 /nfs/dbraw/zinc/96/89/29/240968929.db2.gz XCQGPPYIXZIDJQ-UHFFFAOYSA-N 1 0 293.411 3.148 20 5 CGBDRO CC(C)OC1CC([N@H+](C)CCc2cccc([N+](=O)[O-])c2)C1 ZINC000459439653 242110122 /nfs/dbraw/zinc/11/01/22/242110122.db2.gz KONGZNCIPDRGJD-UHFFFAOYSA-N 1 0 292.379 3.025 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000459773441 242225815 /nfs/dbraw/zinc/22/58/15/242225815.db2.gz STBIVRYTGGQOKJ-BYCMXARLSA-N 1 0 260.337 3.181 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])cc1F ZINC000459774813 242226404 /nfs/dbraw/zinc/22/64/04/242226404.db2.gz JHJJMTRDVWALQH-SUZMYJTESA-N 1 0 294.326 3.021 20 5 CGBDRO Cc1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000463072855 242384885 /nfs/dbraw/zinc/38/48/85/242384885.db2.gz WXNQVXWCMKJTTR-CQSZACIVSA-N 1 0 291.395 3.214 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH2+]C2(c3ccccc3)CC2)c1 ZINC000477481077 243045724 /nfs/dbraw/zinc/04/57/24/243045724.db2.gz DTQQXTKBYHSHMG-UHFFFAOYSA-N 1 0 298.342 3.253 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC(C)=C(C)C2)cc1[N+](=O)[O-] ZINC000482452770 243227763 /nfs/dbraw/zinc/22/77/63/243227763.db2.gz UTADCFACYLMVLG-UHFFFAOYSA-N 1 0 260.337 3.445 20 5 CGBDRO COc1cccc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037668293 369099073 /nfs/dbraw/zinc/09/90/73/369099073.db2.gz VBOFOCRFODMAFI-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCSc2ccccc2)c1 ZINC000037854584 369119554 /nfs/dbraw/zinc/11/95/54/369119554.db2.gz XMKNDAKVJYLVHL-UHFFFAOYSA-N 1 0 288.372 3.477 20 5 CGBDRO CCOc1cc(C[NH+]2C[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492764333 244021663 /nfs/dbraw/zinc/02/16/63/244021663.db2.gz CDMOCRJWASWGHM-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO CCOc1cc(C[N@H+](CC)C2CCC2)ccc1[N+](=O)[O-] ZINC000492787734 244024838 /nfs/dbraw/zinc/02/48/38/244024838.db2.gz GEURVTALRZWXJK-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493237812 244124904 /nfs/dbraw/zinc/12/49/04/244124904.db2.gz NQWPGWXIRFSHOX-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccsc2)cs1 ZINC000042600184 369226901 /nfs/dbraw/zinc/22/69/01/369226901.db2.gz RMZAKJUAJXXRBR-UHFFFAOYSA-N 1 0 268.363 3.050 20 5 CGBDRO CCC[C@H](N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553716 369408995 /nfs/dbraw/zinc/40/89/95/369408995.db2.gz IILYKMLIQFPNSO-BBRMVZONSA-N 1 0 293.411 3.366 20 5 CGBDRO Cc1cc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)ccc1F ZINC000049943389 369423720 /nfs/dbraw/zinc/42/37/20/369423720.db2.gz YPCYGWFEWRZXRV-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO CCCC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000090442429 370060431 /nfs/dbraw/zinc/06/04/31/370060431.db2.gz BCCRQAFHWDAQKB-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CS[C@H](C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090725235 370067086 /nfs/dbraw/zinc/06/70/86/370067086.db2.gz LMIPDYHNDXVSPV-KOLCDFICSA-N 1 0 268.382 3.305 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000339076188 296157536 /nfs/dbraw/zinc/15/75/36/296157536.db2.gz WFHCGXCSDVVQHC-YVECIDJPSA-N 1 0 278.352 3.201 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049159 371079924 /nfs/dbraw/zinc/07/99/24/371079924.db2.gz IUKYHCMTPVARMT-MLGOLLRUSA-N 1 0 291.395 3.118 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2c(F)cccc2[N+](=O)[O-])C(C)(C)O1 ZINC000132517840 371180771 /nfs/dbraw/zinc/18/07/71/371180771.db2.gz VBBWPQLCLWKPKF-CYBMUJFWSA-N 1 0 296.342 3.170 20 5 CGBDRO CCC[C@@H]([NH2+]CC1=CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000286847286 371561680 /nfs/dbraw/zinc/56/16/80/371561680.db2.gz ADRMTKGFUAIAKL-MRXNPFEDSA-N 1 0 290.363 3.372 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287445197 371658629 /nfs/dbraw/zinc/65/86/29/371658629.db2.gz LCXNHBNLDBMALU-INWMFGNUSA-N 1 0 292.379 3.308 20 5 CGBDRO CC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000154578150 371858160 /nfs/dbraw/zinc/85/81/60/371858160.db2.gz ZZHGJNVEPVGVES-VIFPVBQESA-N 1 0 288.294 3.427 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1 ZINC000290298958 371958710 /nfs/dbraw/zinc/95/87/10/371958710.db2.gz BDBVKVDLWATSMG-GVDBMIGSSA-N 1 0 280.327 3.023 20 5 CGBDRO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000156638391 371989734 /nfs/dbraw/zinc/98/97/34/371989734.db2.gz OADAVMUTGQBQLI-KGLIPLIRSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000160088927 372211141 /nfs/dbraw/zinc/21/11/41/372211141.db2.gz LMGZOKTZMBSHSR-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162394307 372392968 /nfs/dbraw/zinc/39/29/68/372392968.db2.gz MZSLPVWFPBRDSU-ZYHUDNBSSA-N 1 0 289.335 3.404 20 5 CGBDRO C[C@H]([NH2+]CC1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000293634703 372431958 /nfs/dbraw/zinc/43/19/58/372431958.db2.gz KJAFSQQHNAKQRM-VIFPVBQESA-N 1 0 270.279 3.291 20 5 CGBDRO Cc1ncsc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296295708 373081755 /nfs/dbraw/zinc/08/17/55/373081755.db2.gz FRVGGEXWHMANPZ-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444588912 373204152 /nfs/dbraw/zinc/20/41/52/373204152.db2.gz HHYIZVCMTBZNLC-SNVBAGLBSA-N 1 0 276.340 3.092 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688866 373236391 /nfs/dbraw/zinc/23/63/91/373236391.db2.gz LDCQRXLPDOKFJO-SNVBAGLBSA-N 1 0 288.351 3.092 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C ZINC000174421092 373313319 /nfs/dbraw/zinc/31/33/19/373313319.db2.gz JBUTXNOYWLMHQD-LBPRGKRZSA-N 1 0 278.352 3.366 20 5 CGBDRO COC[C@H]1CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000353607873 220185829 /nfs/dbraw/zinc/18/58/29/220185829.db2.gz BWLQSRYUPIYSPZ-AWEZNQCLSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000175026607 373396475 /nfs/dbraw/zinc/39/64/75/373396475.db2.gz DUOOLAAVRCSMOU-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO CC(C)(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447543913 373448167 /nfs/dbraw/zinc/44/81/67/373448167.db2.gz TZNRBGFQQOKHQG-OLZOCXBDSA-N 1 0 294.399 3.301 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448058605 373542981 /nfs/dbraw/zinc/54/29/81/373542981.db2.gz PZBZFMUYKPZIKB-UHFFFAOYSA-N 1 0 260.337 3.060 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000300675982 373637384 /nfs/dbraw/zinc/63/73/84/373637384.db2.gz WCTIYWIIEGBHGO-GHMZBOCLSA-N 1 0 286.422 3.420 20 5 CGBDRO CC(C)[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301059988 373642807 /nfs/dbraw/zinc/64/28/07/373642807.db2.gz BIFPBGKRLJLCAX-UHFFFAOYSA-N 1 0 295.358 3.043 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CC(C)(C)O ZINC000449454219 373738518 /nfs/dbraw/zinc/73/85/18/373738518.db2.gz YTZISGBPPKMMIW-RPHSKFLZSA-N 1 0 292.379 3.137 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449480556 373769042 /nfs/dbraw/zinc/76/90/42/373769042.db2.gz YSYCKRKVLRNKMO-XJKSGUPXSA-N 1 0 294.395 3.321 20 5 CGBDRO CCO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C[C@H]1C ZINC000449493286 373786522 /nfs/dbraw/zinc/78/65/22/373786522.db2.gz LCAIRIWUILOHCX-CJNGLKHVSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1cccc(NCC[N@H+]2CCCC[C@@H]2C)c1[N+](=O)[O-] ZINC000302497199 373882052 /nfs/dbraw/zinc/88/20/52/373882052.db2.gz NAHPYGGVGLSUPW-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H]1C[C@@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000302793660 373965263 /nfs/dbraw/zinc/96/52/63/373965263.db2.gz ZXHXQYJOGKGTMB-JQWIXIFHSA-N 1 0 297.786 3.167 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000449778420 373906877 /nfs/dbraw/zinc/90/68/77/373906877.db2.gz SFUYSBHSYPQWAW-AWEZNQCLSA-N 1 0 292.379 3.152 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC12CCC2 ZINC000353668468 220241211 /nfs/dbraw/zinc/24/12/11/220241211.db2.gz GGKDJFGVLVJTJS-UTCJRWHESA-N 1 0 258.321 3.236 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000313708765 374304471 /nfs/dbraw/zinc/30/44/71/374304471.db2.gz DVUDHUXRUDJKHY-GZBFAFLISA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1cc(NCC(C)(C)C[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC000312529857 374282475 /nfs/dbraw/zinc/28/24/75/374282475.db2.gz JSGODGYUGOOAEI-UHFFFAOYSA-N 1 0 283.347 3.042 20 5 CGBDRO CC(C)[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464770359 374896176 /nfs/dbraw/zinc/89/61/76/374896176.db2.gz JPWIIZFCNGQJJC-HNNXBMFYSA-N 1 0 294.420 3.211 20 5 CGBDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000189112215 375327441 /nfs/dbraw/zinc/32/74/41/375327441.db2.gz HDPDGTAHLBYCEB-NWDGAFQWSA-N 1 0 280.368 3.231 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@@H]2CCCO2)C2CC2)c1 ZINC000189577653 375415029 /nfs/dbraw/zinc/41/50/29/375415029.db2.gz OHKYKUABYGWWBD-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCS[C@@H](C)CC1 ZINC000190698841 375532755 /nfs/dbraw/zinc/53/27/55/375532755.db2.gz SDCOCRBUERIDSK-LBPRGKRZSA-N 1 0 280.393 3.231 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509019968 375767462 /nfs/dbraw/zinc/76/74/62/375767462.db2.gz AUZSWADFTYTKGU-DTWKUNHWSA-N 1 0 272.295 3.397 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193043132 375819243 /nfs/dbraw/zinc/81/92/43/375819243.db2.gz DFEUENIKRHWINA-IINYFYTJSA-N 1 0 280.393 3.313 20 5 CGBDRO CC(C)=CCC[C@H](C)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193303390 375857442 /nfs/dbraw/zinc/85/74/42/375857442.db2.gz XFRRCPNUDZUETR-AWEZNQCLSA-N 1 0 294.399 3.154 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCCC1 ZINC000193590323 375896694 /nfs/dbraw/zinc/89/66/94/375896694.db2.gz ZDUNRKXGJHWIRL-UHFFFAOYSA-N 1 0 293.323 3.268 20 5 CGBDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000222234534 376231621 /nfs/dbraw/zinc/23/16/21/376231621.db2.gz CQBQYRVKLCZSMO-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])c1 ZINC000223242358 376250195 /nfs/dbraw/zinc/25/01/95/376250195.db2.gz CMMXDVYWULZWBX-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO Cc1cc(NCCC[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000225707933 376321834 /nfs/dbraw/zinc/32/18/34/376321834.db2.gz SMHQHWHPZBIPSK-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccncc1C ZINC000539044051 376286844 /nfs/dbraw/zinc/28/68/44/376286844.db2.gz ICWDDHWZTNUTQJ-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000226384132 376356566 /nfs/dbraw/zinc/35/65/66/376356566.db2.gz UTUDVFFNLWFBRA-NEPJUHHUSA-N 1 0 280.393 3.307 20 5 CGBDRO COC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000226652692 376367618 /nfs/dbraw/zinc/36/76/18/376367618.db2.gz GZPPYJIVLRABIL-MRXNPFEDSA-N 1 0 286.331 3.072 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000230416948 376519303 /nfs/dbraw/zinc/51/93/03/376519303.db2.gz KQMOFWFLZPFTID-NSHDSACASA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@H]1CCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230666422 376528602 /nfs/dbraw/zinc/52/86/02/376528602.db2.gz KQXDMGKOMXOEGA-ONGXEEELSA-N 1 0 254.355 3.182 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000233848525 376604737 /nfs/dbraw/zinc/60/47/37/376604737.db2.gz IKOYNKNQSXVVPB-ZIAGYGMSSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000339001441 376620839 /nfs/dbraw/zinc/62/08/39/376620839.db2.gz HQPBHJSCCMYJHM-STQMWFEESA-N 1 0 277.368 3.270 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@@H]1C ZINC000339004945 376623181 /nfs/dbraw/zinc/62/31/81/376623181.db2.gz VUPQXISTWPCUIU-RYUDHWBXSA-N 1 0 295.358 3.409 20 5 CGBDRO CC1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000543856264 376685215 /nfs/dbraw/zinc/68/52/15/376685215.db2.gz BPWUVDQJCOBQOS-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000340472163 377083074 /nfs/dbraw/zinc/08/30/74/377083074.db2.gz ZVPARQKHWIICNT-WDEREUQCSA-N 1 0 254.305 3.302 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000247112306 377162300 /nfs/dbraw/zinc/16/23/00/377162300.db2.gz ADJXVHYGPFWCKB-CWRNSKLLSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562569396 377333403 /nfs/dbraw/zinc/33/34/03/377333403.db2.gz HAYMACCFSYGVAV-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1cccc(CC[N@@H+](C)CCc2ccccc2[N+](=O)[O-])n1 ZINC000563052529 377395159 /nfs/dbraw/zinc/39/51/59/377395159.db2.gz MEBLLYDUQGMJMU-UHFFFAOYSA-N 1 0 299.374 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000515340779 249208792 /nfs/dbraw/zinc/20/87/92/249208792.db2.gz DSNZYOJSQCQTRW-NEPJUHHUSA-N 1 0 280.393 3.307 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000252767677 377662600 /nfs/dbraw/zinc/66/26/00/377662600.db2.gz RELSPTATKJLYQY-XUJVJEKNSA-N 1 0 280.368 3.185 20 5 CGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000255067393 377728819 /nfs/dbraw/zinc/72/88/19/377728819.db2.gz UXYBPNONSXBESX-XQRVVYSFSA-N 1 0 260.337 3.340 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NCC1CC[NH+](C2CC2)CC1 ZINC000343052010 377888957 /nfs/dbraw/zinc/88/89/57/377888957.db2.gz ILBIRADJXBBTBK-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]1C(C)C ZINC000342862693 377844714 /nfs/dbraw/zinc/84/47/14/377844714.db2.gz UQLISEGXMAHGHW-CQSZACIVSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000343616819 378041534 /nfs/dbraw/zinc/04/15/34/378041534.db2.gz AAVBUWXZRBXFQM-CYBMUJFWSA-N 1 0 294.399 3.167 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)CCC2CC2)cc1[N+](=O)[O-] ZINC000345803528 378372940 /nfs/dbraw/zinc/37/29/40/378372940.db2.gz XYULEBCXSWJFKJ-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000272948997 378729530 /nfs/dbraw/zinc/72/95/30/378729530.db2.gz DCUOFIBKGIDKKQ-HZSPNIEDSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278692091 194105756 /nfs/dbraw/zinc/10/57/56/194105756.db2.gz MWFVOUOKFFRBTP-MNOVXSKESA-N 1 0 288.351 3.139 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000266433904 190257536 /nfs/dbraw/zinc/25/75/36/190257536.db2.gz DVEGMGMEKZOQJE-QMGNLALYSA-N 1 0 290.363 3.059 20 5 CGBDRO C[NH+](C)C1(CNc2ncc([N+](=O)[O-])s2)CCCCCC1 ZINC000349562403 379306183 /nfs/dbraw/zinc/30/61/83/379306183.db2.gz DIBNLCVJBRMAEJ-UHFFFAOYSA-N 1 0 298.412 3.118 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000279628684 379475038 /nfs/dbraw/zinc/47/50/38/379475038.db2.gz HPTDHONSAYEASS-CDVVCGDMSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2c(c1)COC2 ZINC000350095759 379505753 /nfs/dbraw/zinc/50/57/53/379505753.db2.gz JSTGPQDUIZWJTD-UHFFFAOYSA-N 1 0 298.342 3.223 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000350112879 379510465 /nfs/dbraw/zinc/51/04/65/379510465.db2.gz WPGHEPJLWFHBPY-INIZCTEOSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccnc1 ZINC000350117168 379511553 /nfs/dbraw/zinc/51/15/53/379511553.db2.gz XVBLKYOHLQGYJX-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)ccc1[N+](=O)[O-] ZINC000352541265 379848719 /nfs/dbraw/zinc/84/87/19/379848719.db2.gz VTLIPFQDELSBQF-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000388248402 379882016 /nfs/dbraw/zinc/88/20/16/379882016.db2.gz UZIKCQRMWPBLJA-ZETOZRRWSA-N 1 0 278.352 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1F ZINC000283290002 380050952 /nfs/dbraw/zinc/05/09/52/380050952.db2.gz XWUHFJKKLZTCLP-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO C[C@@H]1N(C/C=C\c2ccccc2[N+](=O)[O-])CCOC1(C)C ZINC000353920543 380236113 /nfs/dbraw/zinc/23/61/13/380236113.db2.gz MMFVLCVNBYMCLN-WOLRVDTOSA-N 1 0 290.363 3.107 20 5 CGBDRO Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000414919834 380490203 /nfs/dbraw/zinc/49/02/03/380490203.db2.gz VRHPNTIQMJOQJJ-KRWDZBQOSA-N 1 0 297.358 3.344 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCC2CCOCC2)cc1[N+](=O)[O-] ZINC000268889177 190447576 /nfs/dbraw/zinc/44/75/76/190447576.db2.gz NNOBVYOOOOZERM-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO CCOCCC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417299030 380586286 /nfs/dbraw/zinc/58/62/86/380586286.db2.gz LTAFUBVXNYVWQN-MRXNPFEDSA-N 1 0 292.379 3.379 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000356768496 380860385 /nfs/dbraw/zinc/86/03/85/380860385.db2.gz HNWGFCFCBLPDTR-OUCADQQQSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356768499 380860472 /nfs/dbraw/zinc/86/04/72/380860472.db2.gz HNWGFCFCBLPDTR-SGMGOOAPSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000357321732 381103197 /nfs/dbraw/zinc/10/31/97/381103197.db2.gz GPZRRPNJFFRVTM-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2cc(OC)c(F)cc2[N+](=O)[O-])C1 ZINC000361616761 381841002 /nfs/dbraw/zinc/84/10/02/381841002.db2.gz PJCAIBZEMBVWQE-NSHDSACASA-N 1 0 296.342 3.365 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCC3CC3)CC2)cc1 ZINC000362391244 381972560 /nfs/dbraw/zinc/97/25/60/381972560.db2.gz OTXPRILYYOEMNT-UHFFFAOYSA-N 1 0 290.363 3.238 20 5 CGBDRO COC1CCC(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000361927443 533042244 /nfs/dbraw/zinc/04/22/44/533042244.db2.gz MSNHGPHFLDHCCE-FUJMWEONSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cccc(C[N@H+](C)C/C=C\c2ccccc2[N+](=O)[O-])n1 ZINC000353744460 220294623 /nfs/dbraw/zinc/29/46/23/220294623.db2.gz FPSLJHVPXYQYTN-TWGQIWQCSA-N 1 0 297.358 3.443 20 5 CGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353775813 220321802 /nfs/dbraw/zinc/32/18/02/220321802.db2.gz PDFRGWMLHXYCFD-LSDHHAIUSA-N 1 0 292.379 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCOCC1)CCC2 ZINC000193071794 285144442 /nfs/dbraw/zinc/14/44/42/285144442.db2.gz MSAXDBWAJXYWCB-BBRMVZONSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCC(F)(F)C2)c1 ZINC000281637156 195317263 /nfs/dbraw/zinc/31/72/63/195317263.db2.gz MDCDXPRQTFVOTR-NSHDSACASA-N 1 0 270.279 3.120 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C/C=C/c1ccccc1 ZINC000051790436 392073831 /nfs/dbraw/zinc/07/38/31/392073831.db2.gz OGLFMOGYEJMYSW-RMKNXTFCSA-N 1 0 268.316 3.398 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1F ZINC000070160147 392178196 /nfs/dbraw/zinc/17/81/96/392178196.db2.gz YEMLWSSKGMWADB-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000361263781 392271390 /nfs/dbraw/zinc/27/13/90/392271390.db2.gz XZBTXNWPTZEEFO-PHIMTYICSA-N 1 0 288.351 3.234 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)CCCCO)cccc1[N+](=O)[O-] ZINC000296446500 392559598 /nfs/dbraw/zinc/55/95/98/392559598.db2.gz MOZWQYWEDIFPLW-YPMHNXCESA-N 1 0 280.368 3.105 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC1 ZINC000504899902 392640516 /nfs/dbraw/zinc/64/05/16/392640516.db2.gz OCYVXXJKJKXEKO-GFCCVEGCSA-N 1 0 280.393 3.465 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CC2)cc1F ZINC000374867138 392710680 /nfs/dbraw/zinc/71/06/80/392710680.db2.gz BPIZUKGHTIHVIW-ZDUSSCGKSA-N 1 0 264.300 3.108 20 5 CGBDRO COCCCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000468646763 393156723 /nfs/dbraw/zinc/15/67/23/393156723.db2.gz ZDNDHBWLNKEMSR-SDNWHVSQSA-N 1 0 292.379 3.404 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000484297780 393445195 /nfs/dbraw/zinc/44/51/95/393445195.db2.gz VJUQIQAJOQBRRH-BYCMXARLSA-N 1 0 292.379 3.367 20 5 CGBDRO C[C@@H]1C[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357943 393496122 /nfs/dbraw/zinc/49/61/22/393496122.db2.gz QMLFCWDNTDWTCY-DGCLKSJQSA-N 1 0 260.337 3.215 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CCCCF)c1 ZINC000361060379 393660783 /nfs/dbraw/zinc/66/07/83/393660783.db2.gz MJDBZVUVZBKFMH-UHFFFAOYSA-N 1 0 292.257 3.036 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491159503 393669629 /nfs/dbraw/zinc/66/96/29/393669629.db2.gz DPBSIDODIBFCHC-YPMHNXCESA-N 1 0 260.337 3.388 20 5 CGBDRO CCC(C)(C)OCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000453610142 394257850 /nfs/dbraw/zinc/25/78/50/394257850.db2.gz FVVOWENKAQKENK-CLFYSBASSA-N 1 0 292.379 3.403 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000453407108 394236779 /nfs/dbraw/zinc/23/67/79/394236779.db2.gz DHQDAGCJGREGPW-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH2+]C1(C2CC2)CC1 ZINC000548626689 289013554 /nfs/dbraw/zinc/01/35/54/289013554.db2.gz REFLOHYJWMYCNW-UHFFFAOYSA-N 1 0 266.728 3.280 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000062051196 397637368 /nfs/dbraw/zinc/63/73/68/397637368.db2.gz FCAMSDPTSFCBHX-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453232899 285861356 /nfs/dbraw/zinc/86/13/56/285861356.db2.gz VIJDPWSDFMBRSJ-TUKIKUTGSA-N 1 0 290.363 3.203 20 5 CGBDRO COCC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000182784760 292267635 /nfs/dbraw/zinc/26/76/35/292267635.db2.gz OTTNMRMDXLIZPV-CYBMUJFWSA-N 1 0 292.379 3.323 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000356787872 292296956 /nfs/dbraw/zinc/29/69/56/292296956.db2.gz VJQIHPQGIMZSBC-HZSPNIEDSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000226384122 165757988 /nfs/dbraw/zinc/75/79/88/165757988.db2.gz SNWVAPJOIMPTDU-FZMZJTMJSA-N 1 0 280.393 3.389 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)cc1 ZINC000284203978 196002808 /nfs/dbraw/zinc/00/28/08/196002808.db2.gz SIRCUMKTPZRBCT-LBPRGKRZSA-N 1 0 285.347 3.336 20 5 CGBDRO CCC[C@@H]([NH2+]CCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000284304969 196025867 /nfs/dbraw/zinc/02/58/67/196025867.db2.gz JBJIUCGISLZCLL-OAHLLOKOSA-N 1 0 292.379 3.331 20 5 CGBDRO C[C@@H]([NH2+]CCC1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285181630 196214963 /nfs/dbraw/zinc/21/49/63/196214963.db2.gz NHKJPOYJMPGDON-SNVBAGLBSA-N 1 0 263.341 3.018 20 5 CGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000285420331 196278255 /nfs/dbraw/zinc/27/82/55/196278255.db2.gz GPNHZWNZSHICTA-QWRGUYRKSA-N 1 0 298.770 3.010 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)CC(C)C ZINC000037264726 173073181 /nfs/dbraw/zinc/07/31/81/173073181.db2.gz UPRYNCJMBDNCFT-LLVKDONJSA-N 1 0 266.341 3.128 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cccs2)cs1 ZINC000037562504 173272715 /nfs/dbraw/zinc/27/27/15/173272715.db2.gz JKKSBZRMNRRGQO-UHFFFAOYSA-N 1 0 268.363 3.050 20 5 CGBDRO Cc1ccc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000038042191 174045313 /nfs/dbraw/zinc/04/53/13/174045313.db2.gz FYRYRPIGRGNLTM-AWEZNQCLSA-N 1 0 291.395 3.437 20 5 CGBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361763485 261389973 /nfs/dbraw/zinc/38/99/73/261389973.db2.gz DWPFNWVHILNXGF-OCCSQVGLSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1CSCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000190842236 270073848 /nfs/dbraw/zinc/07/38/48/270073848.db2.gz JWDKPDDNPJFDLQ-BPJJOFIESA-N 1 0 292.404 3.293 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000322621294 270093755 /nfs/dbraw/zinc/09/37/55/270093755.db2.gz NQVSYIBISWAVMH-DOMZBBRYSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@H]([NH2+]C[C@](C)(CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000322611071 270093846 /nfs/dbraw/zinc/09/38/46/270093846.db2.gz KVKGHBZRPZVNFK-GJZGRUSLSA-N 1 0 280.368 3.451 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C(C)C ZINC000524718921 270114348 /nfs/dbraw/zinc/11/43/48/270114348.db2.gz BUFQWDSGNNEUQU-MRXNPFEDSA-N 1 0 294.395 3.479 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000530418650 270199491 /nfs/dbraw/zinc/19/94/91/270199491.db2.gz SGBWUBMMZKHQRZ-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530460318 270200469 /nfs/dbraw/zinc/20/04/69/270200469.db2.gz KUSHENAWYDIUBH-MBNYWOFBSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000532522495 270216778 /nfs/dbraw/zinc/21/67/78/270216778.db2.gz WTIJSMNPWOYJJR-MLGOLLRUSA-N 1 0 292.379 3.451 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])cc1F ZINC000184198952 274093784 /nfs/dbraw/zinc/09/37/84/274093784.db2.gz JYHWPMNAHOMGCX-UHFFFAOYSA-N 1 0 282.315 3.117 20 5 CGBDRO CSC1(C[N@H+](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000347594613 274174045 /nfs/dbraw/zinc/17/40/45/274174045.db2.gz TZCHINRKWSYWCG-UHFFFAOYSA-N 1 0 292.404 3.455 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255203244 287860564 /nfs/dbraw/zinc/86/05/64/287860564.db2.gz SUOMYYVXBDLBSG-JWJUJFCLSA-N 1 0 292.379 3.401 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000421847001 277472727 /nfs/dbraw/zinc/47/27/27/277472727.db2.gz VRURYWHWZVAFAE-GFCCVEGCSA-N 1 0 278.352 3.032 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2COCC2(C)C)cc1[N+](=O)[O-] ZINC000449620635 278037557 /nfs/dbraw/zinc/03/75/57/278037557.db2.gz WIGOESJPYXXIRB-OAHLLOKOSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000397607254 288025005 /nfs/dbraw/zinc/02/50/05/288025005.db2.gz BFFYJWJLTZXOJY-BXUZGUMPSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H]([NH2+]CC1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000135796338 278342147 /nfs/dbraw/zinc/34/21/47/278342147.db2.gz AMTDIHCEADSZHN-LLVKDONJSA-N 1 0 280.393 3.389 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cccc([N+](=O)[O-])c1 ZINC000367629859 278372110 /nfs/dbraw/zinc/37/21/10/278372110.db2.gz BQNVYAMYBAFROQ-QMTHXVAHSA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250415 279098244 /nfs/dbraw/zinc/09/82/44/279098244.db2.gz YWNPMGCBRHQUBY-MWLCHTKSSA-N 1 0 288.269 3.368 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC1(C)C ZINC000526063493 288148717 /nfs/dbraw/zinc/14/87/17/288148717.db2.gz XPGNCLIRAQAEAG-FMIVXFBMSA-N 1 0 260.337 3.482 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC1(C)C ZINC000526063494 288148750 /nfs/dbraw/zinc/14/87/50/288148750.db2.gz XPGNCLIRAQAEAG-XFXZXTDPSA-N 1 0 260.337 3.482 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000358351067 281023518 /nfs/dbraw/zinc/02/35/18/281023518.db2.gz HPCRGUDEQAVLIB-KNXALSJPSA-N 1 0 290.363 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccoc1 ZINC000531701914 288341006 /nfs/dbraw/zinc/34/10/06/288341006.db2.gz RCUJOCJZCSMKJB-LLVKDONJSA-N 1 0 260.293 3.347 20 5 CGBDRO C[C@@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000532489071 288364849 /nfs/dbraw/zinc/36/48/49/288364849.db2.gz IZMPOUXWJUICEU-GFCCVEGCSA-N 1 0 280.368 3.340 20 5 CGBDRO CC(C)[C@@H]1CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000552248733 289175108 /nfs/dbraw/zinc/17/51/08/289175108.db2.gz QYWOMYAPUPUXQP-LSDHHAIUSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000554346304 289272662 /nfs/dbraw/zinc/27/26/62/289272662.db2.gz ZGTNSESSSUZKNO-NZVBXONLSA-N 1 0 260.337 3.434 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000554657960 289298587 /nfs/dbraw/zinc/29/85/87/289298587.db2.gz GKLOOKGHZHKTCL-UHFFFAOYSA-N 1 0 276.258 3.273 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000173406927 321946949 /nfs/dbraw/zinc/94/69/49/321946949.db2.gz HCXWNZGRSKIEJL-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CS1 ZINC000566475604 322125069 /nfs/dbraw/zinc/12/50/69/322125069.db2.gz NGRZZBLAJJDTQK-GBIKHYSHSA-N 1 0 278.377 3.066 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000566596508 322130679 /nfs/dbraw/zinc/13/06/79/322130679.db2.gz CBOMTRHDAIZNTO-UHFFFAOYSA-N 1 0 290.363 3.286 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569148272 322236670 /nfs/dbraw/zinc/23/66/70/322236670.db2.gz NKLGHGNSDKROSA-AAEUAGOBSA-N 1 0 287.363 3.397 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000569427876 322246883 /nfs/dbraw/zinc/24/68/83/322246883.db2.gz RHYKSPTVLJYSBN-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C2CCC1CC2 ZINC000571904257 322311801 /nfs/dbraw/zinc/31/18/01/322311801.db2.gz RWHWEZHUCXHQKM-UHFFFAOYSA-N 1 0 276.336 3.120 20 5 CGBDRO C[C@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C)CC1 ZINC000577557590 335368237 /nfs/dbraw/zinc/36/82/37/335368237.db2.gz MCUXQMAHRZSAGB-NSHDSACASA-N 1 0 287.363 3.397 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000380831666 336035223 /nfs/dbraw/zinc/03/52/23/336035223.db2.gz TWOOAHCXRMOBIO-LLVKDONJSA-N 1 0 283.347 3.185 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000424340017 533948870 /nfs/dbraw/zinc/94/88/70/533948870.db2.gz CCYXXXJKFZBVSY-FVCCEPFGSA-N 1 0 260.337 3.352 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000426368944 534021772 /nfs/dbraw/zinc/02/17/72/534021772.db2.gz CKJCXPIZGTUHMZ-RYWCDNDXSA-N 1 0 292.404 3.435 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccs1 ZINC000449058836 534254020 /nfs/dbraw/zinc/25/40/20/534254020.db2.gz MIHUSEOJYYAVRI-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO Cc1ccoc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449334748 534449961 /nfs/dbraw/zinc/44/99/61/534449961.db2.gz GNBQFPLUWIKELD-GFCCVEGCSA-N 1 0 274.320 3.217 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000087710181 520429349 /nfs/dbraw/zinc/42/93/49/520429349.db2.gz RKYOSAJPNYCLBV-LSDHHAIUSA-N 1 0 290.363 3.032 20 5 CGBDRO CC[N@H+](CCN[C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000156606475 521084751 /nfs/dbraw/zinc/08/47/51/521084751.db2.gz FYWROZPWNVAQQL-CQSZACIVSA-N 1 0 293.411 3.284 20 5 CGBDRO COC[C@@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000086695537 522377663 /nfs/dbraw/zinc/37/76/63/522377663.db2.gz FKOMNJKEJPDMHT-TZMCWYRMSA-N 1 0 280.368 3.225 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000111254648 523869649 /nfs/dbraw/zinc/86/96/49/523869649.db2.gz HMIHGSCPDHONHN-NSHDSACASA-N 1 0 266.341 3.081 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC12CC2)C1CC1 ZINC000424330697 534887965 /nfs/dbraw/zinc/88/79/65/534887965.db2.gz UNZUHTZCEHSTCF-DZGCQCFKSA-N 1 0 272.348 3.058 20 5 CGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438106 527835478 /nfs/dbraw/zinc/83/54/78/527835478.db2.gz DAYIGLHLLNVUNR-XJKSGUPXSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000132437551 528205737 /nfs/dbraw/zinc/20/57/37/528205737.db2.gz CHZJJOVFFOKKDR-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188684510 528432013 /nfs/dbraw/zinc/43/20/13/528432013.db2.gz YQWNMWYUVADTDE-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446724437 528698088 /nfs/dbraw/zinc/69/80/88/528698088.db2.gz DBXYOPGBJYHEAO-CQSZACIVSA-N 1 0 292.379 3.342 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000429769378 529321815 /nfs/dbraw/zinc/32/18/15/529321815.db2.gz IHFAXOUVUICSNB-CHWSQXEVSA-N 1 0 278.352 3.142 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000040506700 535312949 /nfs/dbraw/zinc/31/29/49/535312949.db2.gz NYDDLTMBMNFYEU-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738054996 572364262 /nfs/dbraw/zinc/36/42/62/572364262.db2.gz LUFVIRUHRHEIQD-BXUZGUMPSA-N 1 0 294.399 3.266 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000745948102 572840685 /nfs/dbraw/zinc/84/06/85/572840685.db2.gz BKLUEQNJXIKMDG-MFKMUULPSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])[C@H](C)C(C)C ZINC000891822431 618318654 /nfs/dbraw/zinc/31/86/54/618318654.db2.gz AEHXEXBTQNDNJP-LLVKDONJSA-N 1 0 296.367 3.175 20 5 CGBDRO C[C@@H]1CSCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000934301105 618584040 /nfs/dbraw/zinc/58/40/40/618584040.db2.gz SUAFXQSDVNOMEV-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO CCCC[N@H+](C)Cn1cc(-c2ccc([N+](=O)[O-])cc2)cn1 ZINC000103457698 618959552 /nfs/dbraw/zinc/95/95/52/618959552.db2.gz CTRRJIWWAAHSGO-UHFFFAOYSA-N 1 0 288.351 3.148 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000775732244 619099552 /nfs/dbraw/zinc/09/95/52/619099552.db2.gz QNGQEYOKHUFDIY-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000313122316 619163346 /nfs/dbraw/zinc/16/33/46/619163346.db2.gz CNFZQLDLLOQHPZ-QIMFLAQGSA-N 1 0 278.327 3.402 20 5 CGBDRO C[NH+](C)C1(C)CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000894851627 619652062 /nfs/dbraw/zinc/65/20/62/619652062.db2.gz OUAFNNYLACRVJG-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO CC1([NH+]2CCC2)CCC(Nc2sccc2[N+](=O)[O-])CC1 ZINC000896254517 619978841 /nfs/dbraw/zinc/97/88/41/619978841.db2.gz IHZWTCGWGGVBNX-UHFFFAOYSA-N 1 0 295.408 3.475 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]1C ZINC000840726132 620237120 /nfs/dbraw/zinc/23/71/20/620237120.db2.gz AELMZNBUZAEGNS-VDDIYKPWSA-N 1 0 268.744 3.382 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1C[C@H]1C ZINC000840726128 620237133 /nfs/dbraw/zinc/23/71/33/620237133.db2.gz AELMZNBUZAEGNS-KBVBSXBZSA-N 1 0 268.744 3.382 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)C1CCC1)c1ccccc1[N+](=O)[O-] ZINC000897463062 620340037 /nfs/dbraw/zinc/34/00/37/620340037.db2.gz ARRXYLMUDVSFOR-RYUDHWBXSA-N 1 0 262.353 3.477 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463444 620340670 /nfs/dbraw/zinc/34/06/70/620340670.db2.gz GDRQDSMMAXMGAH-MPKXVKKWSA-N 1 0 280.393 3.182 20 5 CGBDRO CO[C@@](C)(C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897464997 620340764 /nfs/dbraw/zinc/34/07/64/620340764.db2.gz QDAXOQIONKHJEB-LRDDRELGSA-N 1 0 292.379 3.103 20 5 CGBDRO CCO[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000902821815 621457624 /nfs/dbraw/zinc/45/76/24/621457624.db2.gz LJAUUISRUPWCBB-CABCVRRESA-N 1 0 292.379 3.075 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000903104386 621577393 /nfs/dbraw/zinc/57/73/93/621577393.db2.gz UBZAVUWRGVEONL-QGZVFWFLSA-N 1 0 297.358 3.273 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc([N+](=O)[O-])c1 ZINC000903111807 621584711 /nfs/dbraw/zinc/58/47/11/621584711.db2.gz XBPRDVZYRQWBGI-YGRLFVJLSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCC2CC2)cc([N+](=O)[O-])c1 ZINC000903119974 621588006 /nfs/dbraw/zinc/58/80/06/621588006.db2.gz LQLAGCHMCIVSMZ-JTQLQIEISA-N 1 0 264.325 3.054 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CSCCF)c1ccc([N+](=O)[O-])cc1 ZINC000903287247 621669527 /nfs/dbraw/zinc/66/95/27/621669527.db2.gz LWPVXTOOBIMJOF-WDEREUQCSA-N 1 0 286.372 3.337 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1cncs1 ZINC000903309636 621682295 /nfs/dbraw/zinc/68/22/95/621682295.db2.gz FXJHGQBNRBGYRP-IUCAKERBSA-N 1 0 292.364 3.045 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903329646 621703130 /nfs/dbraw/zinc/70/31/30/621703130.db2.gz CAPDXQJAZHZXSV-IAQYHMDHSA-N 1 0 292.379 3.375 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C/C=C\Cl)cc1[N+](=O)[O-] ZINC000903444326 621756134 /nfs/dbraw/zinc/75/61/34/621756134.db2.gz ORFJKSXCOBWIJB-VAWSOJLPSA-N 1 0 284.743 3.397 20 5 CGBDRO CCC[C@H](C)CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905423976 622073148 /nfs/dbraw/zinc/07/31/48/622073148.db2.gz ZUPAHXMDEJQGJI-SWLSCSKDSA-N 1 0 280.368 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cncc([C@@H]3CCC[NH2+]3)c2)cc1 ZINC000906170986 622166654 /nfs/dbraw/zinc/16/66/54/622166654.db2.gz AXIAKWXSDWUGCY-HNNXBMFYSA-N 1 0 269.304 3.081 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc2c1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922541191 626012211 /nfs/dbraw/zinc/01/22/11/626012211.db2.gz OGYOKOFPLSHVHT-GFCCVEGCSA-N 1 0 298.342 3.381 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1F ZINC000162592242 626077779 /nfs/dbraw/zinc/07/77/79/626077779.db2.gz OCIPJIIJVYJTQK-JSGCOSHPSA-N 1 0 278.327 3.498 20 5 CGBDRO CC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CCC1 ZINC000761290448 627030471 /nfs/dbraw/zinc/03/04/71/627030471.db2.gz KKBDXKFSLHZZLP-UHFFFAOYSA-N 1 0 288.351 3.085 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000761523089 627047757 /nfs/dbraw/zinc/04/77/57/627047757.db2.gz RQBSEWNYXJZPAA-SECBINFHSA-N 1 0 268.744 3.384 20 5 CGBDRO CC[N@H+](CCc1ccccn1)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000769035045 627519840 /nfs/dbraw/zinc/51/98/40/627519840.db2.gz VDASRWLQFSBPCS-UHFFFAOYSA-N 1 0 299.374 3.363 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905715 628048444 /nfs/dbraw/zinc/04/84/44/628048444.db2.gz RCGYCIDLEYPVKK-JQWIXIFHSA-N 1 0 293.323 3.123 20 5 CGBDRO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585573 628221380 /nfs/dbraw/zinc/22/13/80/628221380.db2.gz XBQXAFTXLLFKNO-GOEBONIOSA-N 1 0 292.379 3.283 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCC1 ZINC000786818381 628965413 /nfs/dbraw/zinc/96/54/13/628965413.db2.gz XJIAOZVAZDIRIN-JLHYYAGUSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@@H]([NH2+]CCC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647798 629070504 /nfs/dbraw/zinc/07/05/04/629070504.db2.gz NCEKELYRYGEKPF-LLVKDONJSA-N 1 0 277.368 3.408 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788758962 629079535 /nfs/dbraw/zinc/07/95/35/629079535.db2.gz SNNDNNCYNUXEOF-JFGNBEQYSA-N 1 0 263.341 3.016 20 5 CGBDRO CCCC1CCC([N@H+](C)Cn2cc([N+](=O)[O-])c(C)n2)CC1 ZINC000790480574 629212901 /nfs/dbraw/zinc/21/29/01/629212901.db2.gz RWKVHQHTLDTUOX-UHFFFAOYSA-N 1 0 294.399 3.348 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccc3c(c2)COC3)cccc1[N+](=O)[O-] ZINC000791000032 629248400 /nfs/dbraw/zinc/24/84/00/629248400.db2.gz RSNKKGZPXHFZQH-UHFFFAOYSA-N 1 0 298.342 3.223 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(Cl)cc1N[C@@H]1CC[NH2+]C12CCC2 ZINC000863477527 629585142 /nfs/dbraw/zinc/58/51/42/629585142.db2.gz OATACVQTFUYYQD-GFCCVEGCSA-N 1 0 299.733 3.084 20 5 CGBDRO C[N@H+](CCc1cccs1)CCc1ccccc1[N+](=O)[O-] ZINC000796113906 629745616 /nfs/dbraw/zinc/74/56/16/629745616.db2.gz JATWYDLHGDUOJU-UHFFFAOYSA-N 1 0 290.388 3.373 20 5 CGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000865502647 630156130 /nfs/dbraw/zinc/15/61/30/630156130.db2.gz MFPBQBNIHBSGOJ-NSHDSACASA-N 1 0 299.321 3.063 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3ccccn3)C2)cc1 ZINC000799193663 630157528 /nfs/dbraw/zinc/15/75/28/630157528.db2.gz MUXSHNOOSVORSL-HNNXBMFYSA-N 1 0 297.358 3.022 20 5 CGBDRO C[N@H+](CCC(=O)C(C)(C)C)CCc1cccc([N+](=O)[O-])c1 ZINC000801601762 630347743 /nfs/dbraw/zinc/34/77/43/630347743.db2.gz NHPLZNVFZDIEMR-UHFFFAOYSA-N 1 0 292.379 3.074 20 5 CGBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000809703560 630787379 /nfs/dbraw/zinc/78/73/79/630787379.db2.gz MQFVQYCLXONBOR-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H](C)OC ZINC000812807274 631317424 /nfs/dbraw/zinc/31/74/24/631317424.db2.gz HXBOXWLIFOEDLO-JTQLQIEISA-N 1 0 286.759 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC(F)(F)C2)cc1Cl ZINC000814170428 631537155 /nfs/dbraw/zinc/53/71/55/631537155.db2.gz VWZMHCGJLPJJTA-UHFFFAOYSA-N 1 0 290.697 3.383 20 5 CGBDRO CCC1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CCC1 ZINC000815587191 631801782 /nfs/dbraw/zinc/80/17/82/631801782.db2.gz BYZIRHWWWJBALF-LLVKDONJSA-N 1 0 277.368 3.408 20 5 CGBDRO C[C@H]([NH2+]CCSC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591518 631802159 /nfs/dbraw/zinc/80/21/59/631802159.db2.gz JNFCNTLIBCRDAF-JTQLQIEISA-N 1 0 297.424 3.359 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC(C)(C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815600588 631804809 /nfs/dbraw/zinc/80/48/09/631804809.db2.gz YBQSHOSZDCKYDS-PWSUYJOCSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615566 631805562 /nfs/dbraw/zinc/80/55/62/631805562.db2.gz RTYHDAOQSMDAQP-ZYHUDNBSSA-N 1 0 295.408 3.113 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815607818 631806043 /nfs/dbraw/zinc/80/60/43/631806043.db2.gz JIUZTVOGUBRAJQ-WCBMZHEXSA-N 1 0 285.294 3.015 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@H]1C ZINC000816646218 632031576 /nfs/dbraw/zinc/03/15/76/632031576.db2.gz AEEICMSNFGJFFA-ACMJRCFVSA-N 1 0 260.337 3.338 20 5 CGBDRO CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000819345909 632436196 /nfs/dbraw/zinc/43/61/96/632436196.db2.gz PWUMZLLSXRDOTI-OAHLLOKOSA-N 1 0 292.379 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1Cl ZINC000822538958 632964741 /nfs/dbraw/zinc/96/47/41/632964741.db2.gz CCKKJTATSSJHFR-JGPRNRPPSA-N 1 0 266.728 3.136 20 5 CGBDRO C[NH+](C)C1(C)CCC(Nc2ccc([N+](=O)[O-])s2)CC1 ZINC000866148631 633012604 /nfs/dbraw/zinc/01/26/04/633012604.db2.gz LVWKKYWJTBDAJN-UHFFFAOYSA-N 1 0 283.397 3.331 20 5 CGBDRO Cc1occc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866246527 633043363 /nfs/dbraw/zinc/04/33/63/633043363.db2.gz LNPUDMRXXMHSJX-SNVBAGLBSA-N 1 0 292.310 3.356 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCC(F)(F)F ZINC000866280098 633063988 /nfs/dbraw/zinc/06/39/88/633063988.db2.gz NDZMCEGHTPIBGB-QMMMGPOBSA-N 1 0 294.248 3.207 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000866486498 633156185 /nfs/dbraw/zinc/15/61/85/633156185.db2.gz JHUDCVIFHKRGCC-GAFUQQFSSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCCc3cccnc32)cc1[N+](=O)[O-] ZINC000866541092 633183717 /nfs/dbraw/zinc/18/37/17/633183717.db2.gz WDHGENVBDMJCSL-OAHLLOKOSA-N 1 0 297.358 3.465 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000866613108 633213764 /nfs/dbraw/zinc/21/37/64/633213764.db2.gz QJQJOLJVCTYSFE-VXGBXAGGSA-N 1 0 288.351 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCC2)cc1Cl ZINC000827549401 633497601 /nfs/dbraw/zinc/49/76/01/633497601.db2.gz JQCHINMDOANCOK-UHFFFAOYSA-N 1 0 266.728 3.448 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccc([N+](=O)[O-])cc1 ZINC000830156329 633834195 /nfs/dbraw/zinc/83/41/95/633834195.db2.gz SAWDGBVZZWMGDN-WPRPVWTQSA-N 1 0 289.162 3.439 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872051644 633974796 /nfs/dbraw/zinc/97/47/96/633974796.db2.gz JSAWYLIWAUJRBY-NSHDSACASA-N 1 0 296.342 3.201 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000872128582 634049568 /nfs/dbraw/zinc/04/95/68/634049568.db2.gz UGAXMBZKKAFGQN-CQDKDKBSSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000872129806 634050993 /nfs/dbraw/zinc/05/09/93/634050993.db2.gz UZRXQUNVUNNYPZ-DDTOSNHZSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000872129820 634051116 /nfs/dbraw/zinc/05/11/16/634051116.db2.gz WLMYNPDFBZUHJQ-YNEHKIRRSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23CCC[C@H]2OCC3)cc1Cl ZINC000872263338 634093101 /nfs/dbraw/zinc/09/31/01/634093101.db2.gz CDPRHGGKPCXIGC-KGLIPLIRSA-N 1 0 296.754 3.049 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000873097369 634245131 /nfs/dbraw/zinc/24/51/31/634245131.db2.gz OYDVBYNTNPQYOB-LLVKDONJSA-N 1 0 259.309 3.082 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC(F)(F)C1 ZINC000873114836 634249029 /nfs/dbraw/zinc/24/90/29/634249029.db2.gz XFMUEFJIOVANAR-UHFFFAOYSA-N 1 0 270.279 3.099 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000873136966 634256008 /nfs/dbraw/zinc/25/60/08/634256008.db2.gz MLFODSPLKZQXPQ-CYBMUJFWSA-N 1 0 290.363 3.013 20 5 CGBDRO CC(C)C[C@H]([NH3+])CN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841004061 635104044 /nfs/dbraw/zinc/10/40/44/635104044.db2.gz LHFHTEILRZXEKL-LBPRGKRZSA-N 1 0 299.802 3.053 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2F)cc1 ZINC000877682874 635144191 /nfs/dbraw/zinc/14/41/91/635144191.db2.gz VKQAGHDAYZYZMQ-UONOGXRCSA-N 1 0 266.316 3.008 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccnc(F)c2C)cc1[N+](=O)[O-] ZINC000877730144 635165996 /nfs/dbraw/zinc/16/59/96/635165996.db2.gz NXZRUNKAVPACQL-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CS[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000877827895 635230621 /nfs/dbraw/zinc/23/06/21/635230621.db2.gz ZGVZIGMPGMGVLO-DCAQKATOSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878356052 635473267 /nfs/dbraw/zinc/47/32/67/635473267.db2.gz PJVLXDITSJSWHL-WFASDCNBSA-N 1 0 290.363 3.347 20 5 CGBDRO CCC[NH2+][C@@H](C)c1nc(-c2cc(C)cc([N+](=O)[O-])c2)no1 ZINC000843239146 635625983 /nfs/dbraw/zinc/62/59/83/635625983.db2.gz FBWCBCBTIIGWDB-JTQLQIEISA-N 1 0 290.323 3.014 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](c3nccs3)C2)c1 ZINC000880315379 635972886 /nfs/dbraw/zinc/97/28/86/635972886.db2.gz LNJDYBHHFUAYJT-LBPRGKRZSA-N 1 0 289.360 3.041 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC3(CCCCO3)CC2)c1 ZINC000880454176 636003017 /nfs/dbraw/zinc/00/30/17/636003017.db2.gz DDJYMEPTDDCYFD-UHFFFAOYSA-N 1 0 290.363 3.130 20 5 CGBDRO CC(=O)C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000846947557 636291327 /nfs/dbraw/zinc/29/13/27/636291327.db2.gz UIXBVEVMNHEEMS-LBPRGKRZSA-N 1 0 290.363 3.265 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848784243 636657520 /nfs/dbraw/zinc/65/75/20/636657520.db2.gz VVWDESJEOPDSCV-GXTWGEPZSA-N 1 0 293.342 3.163 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C1(C)CC1 ZINC000850450118 637070615 /nfs/dbraw/zinc/07/06/15/637070615.db2.gz CPTSMMDIBYXFAB-QWRGUYRKSA-N 1 0 278.352 3.443 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850507240 637094064 /nfs/dbraw/zinc/09/40/64/637094064.db2.gz DTXBBADXDUCIIJ-DGCLKSJQSA-N 1 0 276.336 3.363 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C=CCC1)CCC2 ZINC000850510302 637095993 /nfs/dbraw/zinc/09/59/93/637095993.db2.gz SGICVPADFGGVBJ-WFASDCNBSA-N 1 0 258.321 3.280 20 5 CGBDRO C[C@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850556485 637121951 /nfs/dbraw/zinc/12/19/51/637121951.db2.gz QWZTZIGKSAVEJK-LKFCYVNXSA-N 1 0 263.341 3.016 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(c2ccccc2)CC1 ZINC000885937984 637320882 /nfs/dbraw/zinc/32/08/82/637320882.db2.gz ONLGHVXZPGRXIT-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO C[C@H]1C[C@@H](c2ccccc2)C[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886012621 637361437 /nfs/dbraw/zinc/36/14/37/637361437.db2.gz LHVUNJKERTWODJ-XJKSGUPXSA-N 1 0 297.358 3.368 20 5 CGBDRO CC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140967 637433314 /nfs/dbraw/zinc/43/33/14/637433314.db2.gz SZCAYVATUDKECL-WCQYABFASA-N 1 0 263.341 3.048 20 5 CGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])CC1(c2ccccc2)CC1 ZINC000886157640 637440562 /nfs/dbraw/zinc/44/05/62/637440562.db2.gz HMCNZSCTFBAQKI-UHFFFAOYSA-N 1 0 297.358 3.153 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158358 637441239 /nfs/dbraw/zinc/44/12/39/637441239.db2.gz XSGVJQXORPPORM-DGCLKSJQSA-N 1 0 263.341 3.000 20 5 CGBDRO Cc1ncc(-c2ccc(C[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000854173056 638007201 /nfs/dbraw/zinc/00/72/01/638007201.db2.gz IONXQSTVYRIRAG-UHFFFAOYSA-N 1 0 271.320 3.027 20 5 CGBDRO CCC1([NH3+])CCN([C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000925759358 638600832 /nfs/dbraw/zinc/60/08/32/638600832.db2.gz MVYDQUASZGSLMM-ZDUSSCGKSA-N 1 0 291.395 3.168 20 5 CGBDRO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000934011078 639525279 /nfs/dbraw/zinc/52/52/79/639525279.db2.gz JGEQWWPUYWRXFY-IUODEOHRSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](NCc1c(F)cccc1[N+](=O)[O-])c1cncs1 ZINC000934199000 639557090 /nfs/dbraw/zinc/55/70/90/639557090.db2.gz RJZBGQMAYAPUPK-MRVPVSSYSA-N 1 0 281.312 3.041 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000158652104 640012736 /nfs/dbraw/zinc/01/27/36/640012736.db2.gz IPGJZGIWUXEAPA-DSPQJCBJSA-N 1 0 292.379 3.043 20 5 CGBDRO CCC1CCC([N@H+](Cn2cc([N+](=O)[O-])cn2)C2CC2)CC1 ZINC000077440747 640238691 /nfs/dbraw/zinc/23/86/91/640238691.db2.gz GQBRQBYVKQRDCW-UHFFFAOYSA-N 1 0 292.383 3.182 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774162 640802864 /nfs/dbraw/zinc/80/28/64/640802864.db2.gz ZMWBPRALXGYNJR-GHMZBOCLSA-N 1 0 266.316 3.497 20 5 CGBDRO CC1(C)CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000097603009 640871484 /nfs/dbraw/zinc/87/14/84/640871484.db2.gz GZTBIIMBZRDEKL-OAHLLOKOSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cccc(C(=[NH2+])N[C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254544631 806446173 /nfs/dbraw/zinc/44/61/73/806446173.db2.gz XIGAIPSILMWLCS-CYBMUJFWSA-N 1 0 297.358 3.449 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC12CC2 ZINC001254550758 806447471 /nfs/dbraw/zinc/44/74/71/806447471.db2.gz QKVLCMVJOHGHQN-GFCCVEGCSA-N 1 0 260.337 3.154 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cncs1 ZINC001254564925 806451236 /nfs/dbraw/zinc/45/12/36/806451236.db2.gz NPHLMAOVCMFYFD-LLVKDONJSA-N 1 0 291.376 3.114 20 5 CGBDRO Cc1cc2c(cn1)CN([C@H](C)Cc1ccccc1[N+](=O)[O-])C2 ZINC001254560414 806451723 /nfs/dbraw/zinc/45/17/23/806451723.db2.gz SAQNFGQLLQYIRV-CYBMUJFWSA-N 1 0 297.358 3.245 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254570849 806452852 /nfs/dbraw/zinc/45/28/52/806452852.db2.gz PXYWTEHGSVICMI-XFJVYGCCSA-N 1 0 274.364 3.230 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C(C)(C)C ZINC001254572806 806454260 /nfs/dbraw/zinc/45/42/60/806454260.db2.gz SISADODYTDWBCF-MFKMUULPSA-N 1 0 262.353 3.086 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCC3(CCC3)CC1)C2 ZINC001254594952 806457188 /nfs/dbraw/zinc/45/71/88/806457188.db2.gz UGYKZCVKYZBYFR-INIZCTEOSA-N 1 0 286.375 3.328 20 5 CGBDRO Cc1ccnc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580460 806455341 /nfs/dbraw/zinc/45/53/41/806455341.db2.gz CUVSVMFKDPACCA-WFASDCNBSA-N 1 0 297.358 3.116 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588218 806455981 /nfs/dbraw/zinc/45/59/81/806455981.db2.gz WQNYPKDHNHJGHJ-DOMZBBRYSA-N 1 0 288.391 3.478 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254602775 806458194 /nfs/dbraw/zinc/45/81/94/806458194.db2.gz ISXPTUYIZSPJOG-WBMJQRKESA-N 1 0 274.364 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+](Cc1ccco1)C1CC1)C2 ZINC001254608069 806459818 /nfs/dbraw/zinc/45/98/18/806459818.db2.gz OVEARGOLHQDAEI-MRXNPFEDSA-N 1 0 298.342 3.320 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254609841 806461321 /nfs/dbraw/zinc/46/13/21/806461321.db2.gz ZCHBZXKZTSDQDT-JKSUJKDBSA-N 1 0 274.364 3.182 20 5 CGBDRO CCOc1cc(NC(=[NH2+])C(C)(C)C)ccc1[N+](=O)[O-] ZINC001162665643 806643971 /nfs/dbraw/zinc/64/39/71/806643971.db2.gz KUBAGEKZCKRXEO-UHFFFAOYSA-N 1 0 265.313 3.429 20 5 CGBDRO CC(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037108514 798858783 /nfs/dbraw/zinc/85/87/83/798858783.db2.gz ISVRCBWTLZGYAE-UHFFFAOYSA-N 1 0 256.733 3.336 20 5 CGBDRO CCCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037403782 798867450 /nfs/dbraw/zinc/86/74/50/798867450.db2.gz KUXGATUTLOTRNS-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000693633670 799813433 /nfs/dbraw/zinc/81/34/33/799813433.db2.gz XJOXIDLQEQXVLJ-LNSITVRQSA-N 1 0 260.337 3.436 20 5 CGBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000695110366 799826130 /nfs/dbraw/zinc/82/61/30/799826130.db2.gz HQCLVADGBDDXGR-RISCZKNCSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H](CCNc1cc(Cl)ccc1[N+](=O)[O-])[NH+](C)C ZINC000697870630 799850742 /nfs/dbraw/zinc/85/07/42/799850742.db2.gz MTQLVWPQLLIZAC-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001163571097 806784936 /nfs/dbraw/zinc/78/49/36/806784936.db2.gz FYBGXKYIOXRGAC-OLZOCXBDSA-N 1 0 297.786 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H]2CC2(F)F)c1 ZINC000701940125 799900101 /nfs/dbraw/zinc/90/01/01/799900101.db2.gz YOSIFYRBYFBFQR-SECBINFHSA-N 1 0 290.697 3.383 20 5 CGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697911 799978193 /nfs/dbraw/zinc/97/81/93/799978193.db2.gz UDQCNYXDXZSZRK-NEPJUHHUSA-N 1 0 298.383 3.450 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@H]2CCCS2)cc1 ZINC000715784993 800147299 /nfs/dbraw/zinc/14/72/99/800147299.db2.gz YYVZNQIUKXROMV-CQSZACIVSA-N 1 0 280.393 3.013 20 5 CGBDRO COc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000717848542 800205715 /nfs/dbraw/zinc/20/57/15/800205715.db2.gz GZRHAFHKDGJRML-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCC(F)F ZINC001119606537 802683245 /nfs/dbraw/zinc/68/32/45/802683245.db2.gz PUHWEXNPIOXZFJ-VIFPVBQESA-N 1 0 288.294 3.299 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](Nc2ccc3ccc4cccnc4c3n2)C1 ZINC001154976537 805516490 /nfs/dbraw/zinc/51/64/90/805516490.db2.gz LJOKTFNOFZLNNM-LSDHHAIUSA-N 1 0 292.386 3.465 20 5 CGBDRO CC(C)Oc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968528 807544025 /nfs/dbraw/zinc/54/40/25/807544025.db2.gz ZVXUYUGTMCXFMT-GJZGRUSLSA-N 1 0 292.379 3.009 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168987535 807547357 /nfs/dbraw/zinc/54/73/57/807547357.db2.gz JLYJDVBUYQBLRZ-BYCMXARLSA-N 1 0 280.343 3.312 20 5 CGBDRO CCC1([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998530 807548914 /nfs/dbraw/zinc/54/89/14/807548914.db2.gz OHVNQNXSJYSXGJ-VXGBXAGGSA-N 1 0 290.354 3.380 20 5 CGBDRO Cc1cccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168998290 807549353 /nfs/dbraw/zinc/54/93/53/807549353.db2.gz KYHUCQWWLALASX-ZBFHGGJFSA-N 1 0 288.391 3.409 20 5 CGBDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CC(F)(F)F ZINC001169000722 807549495 /nfs/dbraw/zinc/54/94/95/807549495.db2.gz APGDIHLPBXXFGS-VHSXEESVSA-N 1 0 282.306 3.000 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169030095 807555667 /nfs/dbraw/zinc/55/56/67/807555667.db2.gz WCMAZWKAMHPZOW-MGPQQGTHSA-N 1 0 254.374 3.086 20 5 CGBDRO C[N@H+]([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C(C)(C)Cc1ccccc1 ZINC001169049148 807558479 /nfs/dbraw/zinc/55/84/79/807558479.db2.gz WAGCHPZGIIBSKD-HZPDHXFCSA-N 1 0 290.407 3.385 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccccn1)CC2 ZINC001172897842 808474398 /nfs/dbraw/zinc/47/43/98/808474398.db2.gz DVEYBMWYSRVIJE-OAHLLOKOSA-N 1 0 297.358 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@H]1C1CC1)CC2 ZINC001172907721 808476059 /nfs/dbraw/zinc/47/60/59/808476059.db2.gz HTPMPOVYOUPAQA-PVAVHDDUSA-N 1 0 286.375 3.230 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccccc1 ZINC001173213465 808539115 /nfs/dbraw/zinc/53/91/15/808539115.db2.gz FIHZLZKNTUNCFU-CQSZACIVSA-N 1 0 284.359 3.358 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CCCC2 ZINC001173221880 808539644 /nfs/dbraw/zinc/53/96/44/808539644.db2.gz QQCVQJCHGRKKEZ-DOMZBBRYSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccncc1 ZINC001173218042 808539857 /nfs/dbraw/zinc/53/98/57/808539857.db2.gz ISBMMNFNYURMMJ-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCCCO1 ZINC001173226112 808541607 /nfs/dbraw/zinc/54/16/07/808541607.db2.gz HQUHOGLQMFGUKT-CZUORRHYSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC(F)(F)C1 ZINC001173224716 808541773 /nfs/dbraw/zinc/54/17/73/808541773.db2.gz GULAOJQDXVNQOT-SNVBAGLBSA-N 1 0 284.306 3.255 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCSCC1 ZINC001173228290 808541975 /nfs/dbraw/zinc/54/19/75/808541975.db2.gz IUBSFDGZNBMQOB-LBPRGKRZSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cccnc1 ZINC001173228969 808542781 /nfs/dbraw/zinc/54/27/81/808542781.db2.gz OVLVQUGTMMFOPH-CYBMUJFWSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1cccnc1 ZINC001173232208 808542950 /nfs/dbraw/zinc/54/29/50/808542950.db2.gz DPEDZKYWZQGNQC-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO CCCCC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236177 808545049 /nfs/dbraw/zinc/54/50/49/808545049.db2.gz YQTRXPGSZZHHCZ-OLZOCXBDSA-N 1 0 292.379 3.263 20 5 CGBDRO Cc1ccc(Nc2cnc3c(c2)C[N@H+](C)CC3)cc1[N+](=O)[O-] ZINC001213661493 815319633 /nfs/dbraw/zinc/31/96/33/815319633.db2.gz KBWQNXCDZRUPCA-UHFFFAOYSA-N 1 0 298.346 3.030 20 5 CGBDRO COc1cc(Nc2ccc(C)c([N+](=O)[O-])c2)[nH+]cc1C ZINC001213666041 815320875 /nfs/dbraw/zinc/32/08/75/815320875.db2.gz YNFFSZBCAWQUSM-UHFFFAOYSA-N 1 0 273.292 3.359 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001179512037 809926579 /nfs/dbraw/zinc/92/65/79/809926579.db2.gz LZZPEUYLWSPQBD-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccc1[N+](=O)[O-] ZINC001186872726 810368587 /nfs/dbraw/zinc/36/85/87/810368587.db2.gz PMHLBQYIGYWIPO-HOCLYGCPSA-N 1 0 289.379 3.332 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2OCc3ccccc32)cc1[N+](=O)[O-] ZINC001204064461 812539488 /nfs/dbraw/zinc/53/94/88/812539488.db2.gz XGUCTAJXWALCRK-KRWDZBQOSA-N 1 0 298.342 3.264 20 5 CGBDRO C[NH+](C)Cc1cccc(Nc2cccc([N+](=O)[O-])c2)c1 ZINC001204456394 812644973 /nfs/dbraw/zinc/64/49/73/812644973.db2.gz LWSMWYOMJGTAPU-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001217955547 816015703 /nfs/dbraw/zinc/01/57/03/816015703.db2.gz DXFNEZVPCNHMSN-WRXNHJIOSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@@H](Oc1cc([N+](=O)[O-])ccc1Cl)C1CC[NH2+]CC1 ZINC001218002877 816045297 /nfs/dbraw/zinc/04/52/97/816045297.db2.gz NAMGCNAQPSJQKU-SECBINFHSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2C)c([N+](=O)[O-])cc1Cl ZINC001218028465 816063533 /nfs/dbraw/zinc/06/35/33/816063533.db2.gz FZBQVNTWHLDNOO-NOZJJQNGSA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001218034275 816066443 /nfs/dbraw/zinc/06/64/43/816066443.db2.gz PBZCBLZFZKHBFB-SJKOYZFVSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[NH2+]1 ZINC001218047874 816072849 /nfs/dbraw/zinc/07/28/49/816072849.db2.gz IWHGLOZNUJMJFM-PXAZEXFGSA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218099990 816099130 /nfs/dbraw/zinc/09/91/30/816099130.db2.gz ZJEMEFDELNOZMX-KGLIPLIRSA-N 1 0 296.754 3.159 20 5 CGBDRO C[C@H](Oc1cccc(C[NH3+])c1)c1ccccc1[N+](=O)[O-] ZINC001218317390 816165313 /nfs/dbraw/zinc/16/53/13/816165313.db2.gz MQBRIOLBYHBEFW-NSHDSACASA-N 1 0 272.304 3.194 20 5 CGBDRO c1ccc2c(c1)nc(O[C@H]1C=CC[NH2+]C1)c1ccccc21 ZINC001218330559 816170247 /nfs/dbraw/zinc/17/02/47/816170247.db2.gz GUPJGXKOTBSABI-ZDUSSCGKSA-N 1 0 276.339 3.295 20 5 CGBDRO CC1(C)C[C@@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218471780 816230001 /nfs/dbraw/zinc/23/00/01/816230001.db2.gz MAHWFJIQLALJSE-NSHDSACASA-N 1 0 284.743 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]12 ZINC001218475096 816232862 /nfs/dbraw/zinc/23/28/62/816232862.db2.gz XYEFQHVKCYZCLH-XNRPHZJLSA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2C[NH2+]Cc3ccccc32)c([N+](=O)[O-])c1 ZINC001218486177 816240994 /nfs/dbraw/zinc/24/09/94/816240994.db2.gz HRWTZWDEKQOOLB-MRXNPFEDSA-N 1 0 298.342 3.435 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489281 816244110 /nfs/dbraw/zinc/24/41/10/816244110.db2.gz NJKAKEUVBCHKCP-QGZVFWFLSA-N 1 0 298.342 3.435 20 5 CGBDRO COc1ccc2ccccc2c1CO[C@H](C)C[N+](C)(C)C ZINC001223212526 816589249 /nfs/dbraw/zinc/58/92/49/816589249.db2.gz CMBLNWZYLGMPHJ-CQSZACIVSA-N 1 0 288.411 3.460 20 5 CGBDRO Cc1ccc(COC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001223226518 816591599 /nfs/dbraw/zinc/59/15/99/816591599.db2.gz XJXXEKWDJVTRKH-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO CCOc1ccc([C@H](C)OCC[N+](C)(C)C)c(OCC)c1 ZINC001224775113 816878509 /nfs/dbraw/zinc/87/85/09/816878509.db2.gz IYCOJMCCJUDAIY-AWEZNQCLSA-N 1 0 296.431 3.268 20 5 CGBDRO C[N+](C)(C)CCOC1CCC(OCc2ccccc2)CC1 ZINC001224776028 816879318 /nfs/dbraw/zinc/87/93/18/816879318.db2.gz RJZSVQPZYIVUKU-UHFFFAOYSA-N 1 0 292.443 3.237 20 5 CGBDRO C[N+](C)(C)CCO[C@@H]1CCc2c1cccc2Br ZINC001224775695 816879940 /nfs/dbraw/zinc/87/99/40/816879940.db2.gz MVLRNRJIEPQSPG-CQSZACIVSA-N 1 0 299.232 3.159 20 5 CGBDRO C[C@H](OCCCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC001224991013 816923905 /nfs/dbraw/zinc/92/39/05/816923905.db2.gz LLAVMUWXGKWCBL-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Cl)c1Cl ZINC001225206467 816961412 /nfs/dbraw/zinc/96/14/12/816961412.db2.gz LBIOIMJXNOIQDG-SECBINFHSA-N 1 0 263.188 3.467 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc([N+](=O)[O-])c1C ZINC001225689558 817143249 /nfs/dbraw/zinc/14/32/49/817143249.db2.gz LADLYOCGUMSYOO-LLVKDONJSA-N 1 0 266.341 3.012 20 5 CGBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001226232401 817304824 /nfs/dbraw/zinc/30/48/24/817304824.db2.gz GGPFELXBUSUSNA-JTQLQIEISA-N 1 0 270.780 3.016 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C)cccc1[N+](=O)[O-] ZINC001226968275 817520352 /nfs/dbraw/zinc/52/03/52/817520352.db2.gz FJCYVVDDPLOIJT-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001226972515 817521227 /nfs/dbraw/zinc/52/12/27/817521227.db2.gz YCBQVHVWDGNXFB-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1OC1CC[NH+](C2CC2)CC1 ZINC001227999858 817780048 /nfs/dbraw/zinc/78/00/48/817780048.db2.gz FOHXBOANEVKWIE-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228181011 817832710 /nfs/dbraw/zinc/83/27/10/817832710.db2.gz XXXNDVJVYPCWEB-CYBMUJFWSA-N 1 0 295.338 3.029 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c2ccccc2n1 ZINC001228236799 817845550 /nfs/dbraw/zinc/84/55/50/817845550.db2.gz KMDVSEYCPQMQLB-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc2cc(Cl)ccc2c1 ZINC001231142778 818042497 /nfs/dbraw/zinc/04/24/97/818042497.db2.gz NBLFVIIWRXDHPF-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO c1cnc2c(c1)ccc1ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)nc12 ZINC001232218885 818283255 /nfs/dbraw/zinc/28/32/55/818283255.db2.gz OAJDTXYKMKRBSN-GASCZTMLSA-N 1 0 275.355 3.235 20 5 CGBDRO Cc1c(O[C@H](C)C[N+](C)(C)C)cnc2ccccc21 ZINC001233723020 818690981 /nfs/dbraw/zinc/69/09/81/818690981.db2.gz LOGAXAVAUOOMIA-GFCCVEGCSA-N 1 0 259.373 3.017 20 5 CGBDRO CSc1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1F ZINC001234934599 818957027 /nfs/dbraw/zinc/95/70/27/818957027.db2.gz JTYGJRHPHFVQEF-SECBINFHSA-N 1 0 276.372 3.160 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC001458491422 937465744 /nfs/dbraw/zinc/46/57/44/937465744.db2.gz QDOSDLKXCZCPDG-ZIAGYGMSSA-N 1 0 293.342 3.019 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@H]2CC(C)C)c1 ZINC001458644693 937470974 /nfs/dbraw/zinc/47/09/74/937470974.db2.gz JYLVHVMLBNEGAH-CQSZACIVSA-N 1 0 291.395 3.070 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC001459983912 937509772 /nfs/dbraw/zinc/50/97/72/937509772.db2.gz LVMSSBBQJGLLOE-WDEREUQCSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O[C@@H]2CCCCO2)cc1 ZINC001229042598 932079346 /nfs/dbraw/zinc/07/93/46/932079346.db2.gz WXDYTASDRNVYEX-WMLDXEAASA-N 1 0 294.415 3.066 20 5 CGBDRO CC[C@@H](C)C[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461588496 937587072 /nfs/dbraw/zinc/58/70/72/937587072.db2.gz IUQWKDNODNEJLJ-RISCZKNCSA-N 1 0 294.395 3.098 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1=CCOCC1 ZINC001461821769 937599501 /nfs/dbraw/zinc/59/95/01/937599501.db2.gz QJZORWNDNQLRPC-UHFFFAOYSA-N 1 0 290.363 3.057 20 5 CGBDRO CC[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001307137846 932768906 /nfs/dbraw/zinc/76/89/06/932768906.db2.gz SOCKKMAEFMMWKO-LLVKDONJSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001307834871 933005995 /nfs/dbraw/zinc/00/59/95/933005995.db2.gz POOAXFKZILREJD-GFCCVEGCSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC001324061836 934454996 /nfs/dbraw/zinc/45/49/96/934454996.db2.gz UBLNIBWZSKKANJ-DVOMOZLQSA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1ccccc1NC(=[NH2+])NCCc1cccc([N+](=O)[O-])c1 ZINC001329225924 935196778 /nfs/dbraw/zinc/19/67/78/935196778.db2.gz QNEZWQJSWQFODU-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C/C1CC1 ZINC001331973659 935428835 /nfs/dbraw/zinc/42/88/35/935428835.db2.gz QPHLIJSJMNQUGO-VUDBWIFFSA-N 1 0 278.327 3.221 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001332394933 935464938 /nfs/dbraw/zinc/46/49/38/935464938.db2.gz CNCOPVYBMZNUCC-UPJWGTAASA-N 1 0 296.317 3.427 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCC(F)F ZINC001334041034 936081043 /nfs/dbraw/zinc/08/10/43/936081043.db2.gz SLLAXYYNTMGPIE-NSHDSACASA-N 1 0 270.279 3.217 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H]1C ZINC001335519529 936151028 /nfs/dbraw/zinc/15/10/28/936151028.db2.gz FQZWPKAQTYLJMS-BREBYQMCSA-N 1 0 266.316 3.053 20 5 CGBDRO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH2+]CC[N+](=O)[O-] ZINC001336045861 936173743 /nfs/dbraw/zinc/17/37/43/936173743.db2.gz IICFSDLOTNDJPG-UWVGGRQHSA-N 1 0 290.285 3.064 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1(C2CC2)CC1 ZINC001474081537 937839482 /nfs/dbraw/zinc/83/94/82/937839482.db2.gz XOMMVCMTMAGAGU-UHFFFAOYSA-N 1 0 274.364 3.491 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001559651869 938231595 /nfs/dbraw/zinc/23/15/95/938231595.db2.gz WIUXPKLCOAHCMM-INIZCTEOSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@@H]1C[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC(C)(C)C1 ZINC001559675491 938232656 /nfs/dbraw/zinc/23/26/56/938232656.db2.gz JWMBONJKIPBSBZ-ZDUSSCGKSA-N 1 0 292.379 3.342 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccncc2)cc1 ZINC001560362009 938255019 /nfs/dbraw/zinc/25/50/19/938255019.db2.gz SAXFCQONOJITHN-UHFFFAOYSA-N 1 0 285.347 3.102 20 5 CGBDRO [NH3+]CCCCCCSc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC001580293141 962720096 /nfs/dbraw/zinc/72/00/96/962720096.db2.gz BUUCVRDEQBNBCO-UHFFFAOYSA-N 1 0 294.380 3.082 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000273118002 192048748 /nfs/dbraw/zinc/04/87/48/192048748.db2.gz RDKWMQBJYJUTLX-CYBMUJFWSA-N 1 0 286.759 3.009 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1[N+](=O)[O-] ZINC000591061811 346897096 /nfs/dbraw/zinc/89/70/96/346897096.db2.gz JFNXLOGSXDDZAL-AWEZNQCLSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347980 346916911 /nfs/dbraw/zinc/91/69/11/346916911.db2.gz OAXUMSRWRUXLPC-KMUNFCNLSA-N 1 0 260.337 3.360 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000426567527 529820193 /nfs/dbraw/zinc/82/01/93/529820193.db2.gz WJBQWLZUIFLFGN-IZPAUZPXSA-N 1 0 260.337 3.338 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000592379208 346980874 /nfs/dbraw/zinc/98/08/74/346980874.db2.gz KBMWTGFITCHDJD-MRVWCRGKSA-N 1 0 260.337 3.181 20 5 CGBDRO COc1cc(CN2CCC23CCCC3)c([N+](=O)[O-])cc1F ZINC000593038096 347030078 /nfs/dbraw/zinc/03/00/78/347030078.db2.gz HZQIMGWDAVFJHT-UHFFFAOYSA-N 1 0 294.326 3.261 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000593039929 347030971 /nfs/dbraw/zinc/03/09/71/347030971.db2.gz SEKWLPKPTRPEKG-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000051400769 345088998 /nfs/dbraw/zinc/08/89/98/345088998.db2.gz UFDHLFOSDGLESZ-UHFFFAOYSA-N 1 0 292.360 3.167 20 5 CGBDRO CC[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000051532850 345090781 /nfs/dbraw/zinc/09/07/81/345090781.db2.gz HSPMUIOAVLSDCD-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCCCC1 ZINC000061757194 345232218 /nfs/dbraw/zinc/23/22/18/345232218.db2.gz JPSCMPJCPYZIMW-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000064029106 345256782 /nfs/dbraw/zinc/25/67/82/345256782.db2.gz VWZQPRAWRGEVME-LBPRGKRZSA-N 1 0 291.376 3.371 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccsc1[N+](=O)[O-])c1ccccc1 ZINC000067905597 345337607 /nfs/dbraw/zinc/33/76/07/345337607.db2.gz ZRPCGIFPLQQRHB-CYBMUJFWSA-N 1 0 291.376 3.371 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000075606791 345515031 /nfs/dbraw/zinc/51/50/31/345515031.db2.gz JIWUWZMTUPKBTR-CQSZACIVSA-N 1 0 291.376 3.371 20 5 CGBDRO CC(C)[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000091372543 345812728 /nfs/dbraw/zinc/81/27/28/345812728.db2.gz HXQAMRRFCJTLSN-MRXNPFEDSA-N 1 0 285.347 3.477 20 5 CGBDRO CC(C)[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000090910252 345796941 /nfs/dbraw/zinc/79/69/41/345796941.db2.gz FCSHHXMAPIXRTA-OAHLLOKOSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000130492258 346058497 /nfs/dbraw/zinc/05/84/97/346058497.db2.gz HGRWDZDSXYFUAH-UHFFFAOYSA-N 1 0 271.320 3.027 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000279973767 346417245 /nfs/dbraw/zinc/41/72/45/346417245.db2.gz DDQGKKOGZJCBAN-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CCC3)CC2)c1 ZINC000586783226 346734544 /nfs/dbraw/zinc/73/45/44/346734544.db2.gz JPMDHCRRJWUARV-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCC3)CC2)cc1 ZINC000586783278 346735077 /nfs/dbraw/zinc/73/50/77/346735077.db2.gz XKDOSQWFOODXOE-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)COCC1CC1 ZINC000593717507 347107398 /nfs/dbraw/zinc/10/73/98/347107398.db2.gz JGKLHZOGVGWOQS-STQMWFEESA-N 1 0 292.379 3.369 20 5 CGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])s1)C1CCCCC1 ZINC000589563026 346800537 /nfs/dbraw/zinc/80/05/37/346800537.db2.gz YNJWFFRKHRHPSY-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594597645 347199527 /nfs/dbraw/zinc/19/95/27/347199527.db2.gz DHSPMVYRWPMYGV-LSDHHAIUSA-N 1 0 293.342 3.163 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])cn1 ZINC000594495658 347178374 /nfs/dbraw/zinc/17/83/74/347178374.db2.gz RZQWYUZEUWNUPG-MRXNPFEDSA-N 1 0 297.358 3.118 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000594509677 347182302 /nfs/dbraw/zinc/18/23/02/347182302.db2.gz YJGPXNUDDCFCCX-OHTBPHCPSA-N 1 0 272.348 3.360 20 5 CGBDRO CC(C)CC1([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000595000409 347253102 /nfs/dbraw/zinc/25/31/02/347253102.db2.gz LELSQWBDVXEVTK-UHFFFAOYSA-N 1 0 254.355 3.325 20 5 CGBDRO CCC(O)(CC)C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594967511 347244709 /nfs/dbraw/zinc/24/47/09/347244709.db2.gz UWWKCZBTMPZDKD-UHFFFAOYSA-N 1 0 294.395 3.262 20 5 CGBDRO CC(C)(F)CC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594973658 347246358 /nfs/dbraw/zinc/24/63/58/347246358.db2.gz SSKHVZMGTSVHTL-FNORWQNLSA-N 1 0 266.316 3.336 20 5 CGBDRO CC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595006129 347254529 /nfs/dbraw/zinc/25/45/29/347254529.db2.gz HSUZZNQVZPOTDW-UWVGGRQHSA-N 1 0 252.314 3.053 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCSC ZINC000595009340 347255785 /nfs/dbraw/zinc/25/57/85/347255785.db2.gz RDLPXAKDCOJLEP-JTQLQIEISA-N 1 0 284.381 3.007 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000595024182 347260526 /nfs/dbraw/zinc/26/05/26/347260526.db2.gz YEYHSFMPDIEOLS-JTQLQIEISA-N 1 0 276.336 3.197 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@H](C)F ZINC000595038160 347265766 /nfs/dbraw/zinc/26/57/66/347265766.db2.gz KCAXIQNAKKVENG-UWVGGRQHSA-N 1 0 270.304 3.002 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000595051938 347270255 /nfs/dbraw/zinc/27/02/55/347270255.db2.gz XXYZIHRUXLCYHD-RYUDHWBXSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H](N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595057519 347272881 /nfs/dbraw/zinc/27/28/81/347272881.db2.gz YRDDBPUYUFBJIL-GXTWGEPZSA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595079185 347278989 /nfs/dbraw/zinc/27/89/89/347278989.db2.gz ILPVJRXIBBZNHT-CABZTGNLSA-N 1 0 270.279 3.291 20 5 CGBDRO CC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000595421424 347300931 /nfs/dbraw/zinc/30/09/31/347300931.db2.gz IWJYXUDGQAVYCL-GFCCVEGCSA-N 1 0 281.356 3.340 20 5 CGBDRO CCCC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCC1 ZINC000595429887 347302496 /nfs/dbraw/zinc/30/24/96/347302496.db2.gz HXOSVVHMNOJMAG-LBPRGKRZSA-N 1 0 281.356 3.340 20 5 CGBDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595462535 347307799 /nfs/dbraw/zinc/30/77/99/347307799.db2.gz UXYMGRRCHOIIFT-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595810369 347357470 /nfs/dbraw/zinc/35/74/70/347357470.db2.gz XBAIZXWQJFBQPM-STQMWFEESA-N 1 0 290.363 3.224 20 5 CGBDRO Cc1noc(C[NH2+][C@@H](C)[C@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595522114 347315013 /nfs/dbraw/zinc/31/50/13/347315013.db2.gz ILWWRDWDLOJWOC-NHCYSSNCSA-N 1 0 281.356 3.196 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC[C@@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595570884 347321218 /nfs/dbraw/zinc/32/12/18/347321218.db2.gz ZFWJZGXLHGEZJH-GFCCVEGCSA-N 1 0 279.340 3.046 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1F ZINC000595857932 347368262 /nfs/dbraw/zinc/36/82/62/347368262.db2.gz OIVGYLAADDKHCK-VGPLMAKISA-N 1 0 278.327 3.497 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC[C@H]2CC2CCC2)c1[N+](=O)[O-] ZINC000595870857 347368724 /nfs/dbraw/zinc/36/87/24/347368724.db2.gz KKVIENWLQHUMSD-ZDUSSCGKSA-N 1 0 293.367 3.436 20 5 CGBDRO O=[N+]([O-])c1ccccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596562744 347479446 /nfs/dbraw/zinc/47/94/46/347479446.db2.gz PWYDQIAADIZABQ-UHFFFAOYSA-N 1 0 289.379 3.129 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1CC=CC1 ZINC000598991699 347704030 /nfs/dbraw/zinc/70/40/30/347704030.db2.gz BQOYBMXHNIIBOI-UHFFFAOYSA-N 1 0 276.336 3.049 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598998816 347705727 /nfs/dbraw/zinc/70/57/27/347705727.db2.gz IATPGBLCKAOJGM-RZGXBDKHSA-N 1 0 298.770 3.150 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCCC12CC2 ZINC000599016616 347706058 /nfs/dbraw/zinc/70/60/58/347706058.db2.gz LFAZZYJAZSICCC-CYBMUJFWSA-N 1 0 260.337 3.265 20 5 CGBDRO CC(C)CC[C@H](CO)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000599068305 347714088 /nfs/dbraw/zinc/71/40/88/347714088.db2.gz MJMIIMFLEYYHFW-GXTWGEPZSA-N 1 0 280.368 3.043 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000599071904 347714459 /nfs/dbraw/zinc/71/44/59/347714459.db2.gz BDZMWRPWAWYAOD-DFBGVHRSSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H]([NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000599074514 347715189 /nfs/dbraw/zinc/71/51/89/347715189.db2.gz MZTMOXQVIQUZLP-VSBZFQJLSA-N 1 0 278.352 3.057 20 5 CGBDRO C/C=C\C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599084905 347715748 /nfs/dbraw/zinc/71/57/48/347715748.db2.gz UOZHTMDYKQWLDP-KXAWDHGWSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599512394 347749253 /nfs/dbraw/zinc/74/92/53/347749253.db2.gz JHUHKYOTRGDMNN-PHIMTYICSA-N 1 0 284.306 3.318 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(Cc3cccs3)C2)c1 ZINC000600216274 347794644 /nfs/dbraw/zinc/79/46/44/347794644.db2.gz XEXBUQPYNCDGFP-UHFFFAOYSA-N 1 0 288.372 3.331 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](c3ccc(O)cc3)C2)c1 ZINC000600214173 347794806 /nfs/dbraw/zinc/79/48/06/347794806.db2.gz MMORSLJNGRZPAR-HNNXBMFYSA-N 1 0 298.342 3.290 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@]1(C)CCCS1 ZINC000600155088 347785315 /nfs/dbraw/zinc/78/53/15/347785315.db2.gz DAUGEPRWUYAJIR-OAHLLOKOSA-N 1 0 294.420 3.355 20 5 CGBDRO C[NH2+]CCOc1ccc(-c2ccc(C)c([N+](=O)[O-])c2)cc1 ZINC000600791556 347836835 /nfs/dbraw/zinc/83/68/35/347836835.db2.gz RRYKJQSSDFUADX-UHFFFAOYSA-N 1 0 286.331 3.168 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC23CC3)c(F)c1 ZINC000601138747 347874085 /nfs/dbraw/zinc/87/40/85/347874085.db2.gz XQHQJLIXEODUHN-ZDUSSCGKSA-N 1 0 264.300 3.156 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC000601229100 347883065 /nfs/dbraw/zinc/88/30/65/347883065.db2.gz FSWSEICOUCBFFB-UHFFFAOYSA-N 1 0 297.424 3.275 20 5 CGBDRO CSC1CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000602727071 348019482 /nfs/dbraw/zinc/01/94/82/348019482.db2.gz XOPNABQVBQMRMJ-UHFFFAOYSA-N 1 0 280.393 3.231 20 5 CGBDRO CC[C@H](C)[C@H]1CCCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602777609 348027461 /nfs/dbraw/zinc/02/74/61/348027461.db2.gz HLVGSNWSYQCOCN-GXTWGEPZSA-N 1 0 294.399 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3cccnc3)C2)cc1 ZINC000602855835 348037462 /nfs/dbraw/zinc/03/74/62/348037462.db2.gz PRCJVSAYHSMLSO-INIZCTEOSA-N 1 0 297.358 3.369 20 5 CGBDRO Cc1n[nH]cc1CN(C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000602945144 348046331 /nfs/dbraw/zinc/04/63/31/348046331.db2.gz XNLSTXNTYJREPP-LBPRGKRZSA-N 1 0 288.351 3.128 20 5 CGBDRO C[C@@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000603873270 348101064 /nfs/dbraw/zinc/10/10/64/348101064.db2.gz GJSYDIDROFUYRM-GFCCVEGCSA-N 1 0 280.368 3.340 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609595612 348348561 /nfs/dbraw/zinc/34/85/61/348348561.db2.gz VSPIQIXVZLJJMA-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609353980 348342516 /nfs/dbraw/zinc/34/25/16/348342516.db2.gz FEKTVHFQDSLUPC-GHMZBOCLSA-N 1 0 283.397 3.331 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000609350678 348342791 /nfs/dbraw/zinc/34/27/91/348342791.db2.gz IZRZNUUUWUUZAJ-LBPRGKRZSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccccc1[N+](=O)[O-] ZINC000609417671 348343838 /nfs/dbraw/zinc/34/38/38/348343838.db2.gz BXGFAGPMVPYGGN-CHWSQXEVSA-N 1 0 278.352 3.237 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCC1CC1 ZINC000609902184 348356997 /nfs/dbraw/zinc/35/69/97/348356997.db2.gz ZNEVOURJIXQXHE-DAXSKMNVSA-N 1 0 260.337 3.388 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@H]3C3CC3)nc2c1 ZINC000610581336 348391369 /nfs/dbraw/zinc/39/13/69/348391369.db2.gz APUSMMZHAPDFRN-ZDUSSCGKSA-N 1 0 287.319 3.110 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000610830954 348404928 /nfs/dbraw/zinc/40/49/28/348404928.db2.gz NIXXQMVTKVIERZ-CHWSQXEVSA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000610830957 348405036 /nfs/dbraw/zinc/40/50/36/348405036.db2.gz NIXXQMVTKVIERZ-STQMWFEESA-N 1 0 285.347 3.444 20 5 CGBDRO C[NH+](C)C1(CNc2sccc2[N+](=O)[O-])CCCCC1 ZINC000611411020 348448463 /nfs/dbraw/zinc/44/84/63/348448463.db2.gz LIPCIQSDAVOPKA-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000035277364 137873859 /nfs/dbraw/zinc/87/38/59/137873859.db2.gz JRTAPCXFKGWYHR-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000358993793 233235082 /nfs/dbraw/zinc/23/50/82/233235082.db2.gz DYRMCUJVYDUJKM-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000271339355 191082292 /nfs/dbraw/zinc/08/22/92/191082292.db2.gz GIYKJXVCWNKIIH-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO COCC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000112354806 186490095 /nfs/dbraw/zinc/49/00/95/186490095.db2.gz QSYMAEKNURMQAB-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1cncc(F)c1 ZINC000123267184 187081565 /nfs/dbraw/zinc/08/15/65/187081565.db2.gz HJNVRYPLQUYAKP-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000271515086 191185536 /nfs/dbraw/zinc/18/55/36/191185536.db2.gz PKBHQNYSSIWYOS-CMPLNLGQSA-N 1 0 296.392 3.150 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000271583466 191225814 /nfs/dbraw/zinc/22/58/14/191225814.db2.gz RUNOGYWARFXJAG-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CCOC1CC(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])C1 ZINC000292206626 198202102 /nfs/dbraw/zinc/20/21/02/198202102.db2.gz STGAGJKHSLYLPC-UHFFFAOYSA-N 1 0 292.379 3.235 20 5 CGBDRO Cc1n[nH]cc1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000154467298 188144494 /nfs/dbraw/zinc/14/44/94/188144494.db2.gz OWSPQJLZILNCMA-UHFFFAOYSA-N 1 0 288.351 3.037 20 5 CGBDRO CCC[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000295190872 199397368 /nfs/dbraw/zinc/39/73/68/199397368.db2.gz XFUXKDAUJXERNC-MRZGDXHCSA-N 1 0 278.352 3.013 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000412021708 235104004 /nfs/dbraw/zinc/10/40/04/235104004.db2.gz NGYSYZMMJTUXBK-JTQLQIEISA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000272590917 191806735 /nfs/dbraw/zinc/80/67/35/191806735.db2.gz HUSWXBXPPVFYQT-SECBINFHSA-N 1 0 268.744 3.179 20 5 CGBDRO Cc1ccc(F)cc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000129031461 138395406 /nfs/dbraw/zinc/39/54/06/138395406.db2.gz FKTXPMDGMNTQMF-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3CCC[C@H]32)cc1 ZINC000426475300 236298379 /nfs/dbraw/zinc/29/83/79/236298379.db2.gz XVOKPRMQMJNIMA-CZUORRHYSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000426768851 236312635 /nfs/dbraw/zinc/31/26/35/236312635.db2.gz CSRHYVODDPZHTH-GASCZTMLSA-N 1 0 274.364 3.259 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000436403368 237094776 /nfs/dbraw/zinc/09/47/76/237094776.db2.gz AJEHFAYVXAKGOQ-LJXYTEIVSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301571332 201073948 /nfs/dbraw/zinc/07/39/48/201073948.db2.gz KYAHNNAVBGFAQF-STQMWFEESA-N 1 0 277.368 3.188 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301606011 201092545 /nfs/dbraw/zinc/09/25/45/201092545.db2.gz YNPJEHLIUVCLKD-RYUDHWBXSA-N 1 0 281.331 3.019 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C2(C)CC2)c([N+](=O)[O-])cc1F ZINC000184233735 189380758 /nfs/dbraw/zinc/38/07/58/189380758.db2.gz YZQMMTPOCQHUSM-JTQLQIEISA-N 1 0 296.342 3.363 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301808232 201209662 /nfs/dbraw/zinc/20/96/62/201209662.db2.gz WWECRHAGOKCAHV-SNVBAGLBSA-N 1 0 299.321 3.159 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000449217522 239251060 /nfs/dbraw/zinc/25/10/60/239251060.db2.gz ZRUWLSGEYPXGIZ-TZMCWYRMSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCCS1 ZINC000449235524 239261650 /nfs/dbraw/zinc/26/16/50/239261650.db2.gz VBHNAMAMQQRKDH-OCCSQVGLSA-N 1 0 294.420 3.401 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH+]2CC3(CC3)C2)o1 ZINC000449371825 239357020 /nfs/dbraw/zinc/35/70/20/239357020.db2.gz ZBVWUXKODCNWRH-UHFFFAOYSA-N 1 0 284.315 3.451 20 5 CGBDRO C[C@@H](c1cccnc1)N(C)Cc1ccccc1[N+](=O)[O-] ZINC000120508436 370774305 /nfs/dbraw/zinc/77/43/05/370774305.db2.gz QIOQMGRSZYQOII-LBPRGKRZSA-N 1 0 271.320 3.183 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120602409 370784182 /nfs/dbraw/zinc/78/41/82/370784182.db2.gz FTXDCJWGZLNSIN-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000469789386 242699272 /nfs/dbraw/zinc/69/92/72/242699272.db2.gz FEMHTOYKOROXKP-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1ccccc1F ZINC000020047650 368795757 /nfs/dbraw/zinc/79/57/57/368795757.db2.gz PWOBGYUMSPXYGE-UHFFFAOYSA-N 1 0 274.295 3.066 20 5 CGBDRO COc1cccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000037680324 369099397 /nfs/dbraw/zinc/09/93/97/369099397.db2.gz CTBPLEJLVCDRIG-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO COCc1cccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037999886 369137660 /nfs/dbraw/zinc/13/76/60/369137660.db2.gz WROFFMURMFIRKQ-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCN2CCCCC2)cc1[N+](=O)[O-] ZINC000049574664 369410991 /nfs/dbraw/zinc/41/09/91/369410991.db2.gz XWSNGVOTKGZXFZ-CQSZACIVSA-N 1 0 291.395 3.040 20 5 CGBDRO CC1(C)C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963829 369425296 /nfs/dbraw/zinc/42/52/96/369425296.db2.gz NJZQTDIHJRBYOQ-LLVKDONJSA-N 1 0 254.717 3.136 20 5 CGBDRO COc1ccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000051634416 369450473 /nfs/dbraw/zinc/45/04/73/369450473.db2.gz MLIRIKAYOSWBGR-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO CC(C)[N@H+](C)CCNc1c(Cl)cccc1[N+](=O)[O-] ZINC000054128146 369495395 /nfs/dbraw/zinc/49/53/95/369495395.db2.gz FXZGIYRPLVYLJJ-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(NCCC[NH+]2CCCC2)c(Cl)c1 ZINC000058340825 369564324 /nfs/dbraw/zinc/56/43/24/369564324.db2.gz WUDJHHKHNYCGOZ-UHFFFAOYSA-N 1 0 283.759 3.146 20 5 CGBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CC1 ZINC000276319148 193286333 /nfs/dbraw/zinc/28/63/33/193286333.db2.gz ODCYQECLNPMRPS-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CCOC(CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000276495101 193355899 /nfs/dbraw/zinc/35/58/99/193355899.db2.gz ILJNDKXKGGZYRL-LBPRGKRZSA-N 1 0 296.367 3.035 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000094307852 370166810 /nfs/dbraw/zinc/16/68/10/370166810.db2.gz BHIXTDUFTSEXSG-CQSZACIVSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331750369 204121400 /nfs/dbraw/zinc/12/14/00/204121400.db2.gz GBPPBSBXWJBKAB-PWSUYJOCSA-N 1 0 288.351 3.139 20 5 CGBDRO CSC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000135382231 371420677 /nfs/dbraw/zinc/42/06/77/371420677.db2.gz FBFQHRVKQZFWPT-UHFFFAOYSA-N 1 0 268.382 3.134 20 5 CGBDRO CN(CCCF)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000136318531 371473179 /nfs/dbraw/zinc/47/31/79/371473179.db2.gz QADDRTRRUFXCCO-UHFFFAOYSA-N 1 0 260.696 3.040 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccccn1 ZINC000151411358 371598696 /nfs/dbraw/zinc/59/86/96/371598696.db2.gz YTBFUFNKYGTBBY-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000337324174 214005484 /nfs/dbraw/zinc/00/54/84/214005484.db2.gz AYRSJZCMCKVSII-RYUDHWBXSA-N 1 0 266.341 3.059 20 5 CGBDRO CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000158173274 372057410 /nfs/dbraw/zinc/05/74/10/372057410.db2.gz OIKJDMTZGHGTRX-UHFFFAOYSA-N 1 0 288.294 3.428 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159141532 372108882 /nfs/dbraw/zinc/10/88/82/372108882.db2.gz RHNDIOGXIOQIRI-VBNZEHGJSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000291331426 372162138 /nfs/dbraw/zinc/16/21/38/372162138.db2.gz USKXNOZFIQEEFM-KEDPEKRHSA-N 1 0 290.363 3.107 20 5 CGBDRO CC[C@H]([NH2+]CC1(CO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000160076617 372210098 /nfs/dbraw/zinc/21/00/98/372210098.db2.gz ZRVYWQBAVWFXMF-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO CC(C)[N@@H+]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000344276859 217130567 /nfs/dbraw/zinc/13/05/67/217130567.db2.gz MSZKKNASYZQJRB-CQSZACIVSA-N 1 0 291.395 3.072 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC12CCCC2 ZINC000428538894 372228204 /nfs/dbraw/zinc/22/82/04/372228204.db2.gz RJOGTFRNOWPZQA-AWEZNQCLSA-N 1 0 260.337 3.326 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000160556658 372257604 /nfs/dbraw/zinc/25/76/04/372257604.db2.gz MNFOYELEFLRKQG-DYLGSBMWSA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000162394059 372393575 /nfs/dbraw/zinc/39/35/75/372393575.db2.gz MZSLPVWFPBRDSU-PWSUYJOCSA-N 1 0 289.335 3.404 20 5 CGBDRO CCC[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000293705441 372455930 /nfs/dbraw/zinc/45/59/30/372455930.db2.gz PITPUCZLVZDHMJ-LBPRGKRZSA-N 1 0 286.759 3.153 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000168439195 372610742 /nfs/dbraw/zinc/61/07/42/372610742.db2.gz TXESJTVSPNEAMJ-GFCCVEGCSA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295839146 372929827 /nfs/dbraw/zinc/92/98/27/372929827.db2.gz FMVFRUUUSYSMKZ-BXUZGUMPSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295851785 372934948 /nfs/dbraw/zinc/93/49/48/372934948.db2.gz BAEHSDUHSUFROV-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO COc1ccc(C[N@@H+]2CCCCC[C@H]2C)cc1[N+](=O)[O-] ZINC000353499925 220120033 /nfs/dbraw/zinc/12/00/33/220120033.db2.gz FEMHZGVCJDTIHK-GFCCVEGCSA-N 1 0 278.352 3.368 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000296272411 373075361 /nfs/dbraw/zinc/07/53/61/373075361.db2.gz DRWVQJWHCXSSNS-KGLIPLIRSA-N 1 0 278.352 3.203 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(C)nc1 ZINC000344853137 217335085 /nfs/dbraw/zinc/33/50/85/217335085.db2.gz CEYCXRKOEJBSSZ-JYRVWZFOSA-N 1 0 297.358 3.491 20 5 CGBDRO CS[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428350 373129408 /nfs/dbraw/zinc/12/94/08/373129408.db2.gz VGGKQZHQASHVGQ-GHMZBOCLSA-N 1 0 266.366 3.093 20 5 CGBDRO COC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000297277412 373263261 /nfs/dbraw/zinc/26/32/61/373263261.db2.gz LBBTZUXJJOVMPC-LBPRGKRZSA-N 1 0 278.352 3.205 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)c(Cl)c1 ZINC000175004183 373394023 /nfs/dbraw/zinc/39/40/23/373394023.db2.gz NPQRWCVCLRJTDI-UHFFFAOYSA-N 1 0 275.695 3.337 20 5 CGBDRO CCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447520078 373443840 /nfs/dbraw/zinc/44/38/40/373443840.db2.gz SEDSNVRLWXQDSA-CHWSQXEVSA-N 1 0 280.372 3.055 20 5 CGBDRO CCC(C)(C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447596980 373461937 /nfs/dbraw/zinc/46/19/37/373461937.db2.gz RJGRRNZLYSTUOM-OLZOCXBDSA-N 1 0 294.399 3.301 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1ccc(F)cc1[N+](=O)[O-] ZINC000301250713 373713066 /nfs/dbraw/zinc/71/30/66/373713066.db2.gz MPBHZLYRLMOONB-GFCCVEGCSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123418 373670304 /nfs/dbraw/zinc/67/03/04/373670304.db2.gz ZQWJBYDGPIZFEK-QWHCGFSZSA-N 1 0 277.368 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000301403618 373772652 /nfs/dbraw/zinc/77/26/52/373772652.db2.gz SAQZTNQHZSWYCO-CYBMUJFWSA-N 1 0 275.352 3.024 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301277341 373725010 /nfs/dbraw/zinc/72/50/10/373725010.db2.gz PAAAHQYVXAQSEQ-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000301281800 373726769 /nfs/dbraw/zinc/72/67/69/373726769.db2.gz QFEFYUAYBYJZDS-AWEZNQCLSA-N 1 0 277.368 3.271 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000301500009 373780234 /nfs/dbraw/zinc/78/02/34/373780234.db2.gz DFRWUPHESHSSAT-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1cnc(C2CC2)o1 ZINC000449695029 373844917 /nfs/dbraw/zinc/84/49/17/373844917.db2.gz DHKICZQVVANJMN-HWKANZROSA-N 1 0 299.330 3.263 20 5 CGBDRO CC(C)[NH+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000180454955 374010550 /nfs/dbraw/zinc/01/05/50/374010550.db2.gz CSTRQMCMJGLCNE-UHFFFAOYSA-N 1 0 266.341 3.092 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248997188 189956063 /nfs/dbraw/zinc/95/60/63/189956063.db2.gz GYAJHOWOTIGZCT-JHJVBQTASA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000183038712 374360016 /nfs/dbraw/zinc/36/00/16/374360016.db2.gz XRYXKPDTPGPCNA-NWDGAFQWSA-N 1 0 296.367 3.006 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC(C)(C)C1 ZINC000183356027 374405159 /nfs/dbraw/zinc/40/51/59/374405159.db2.gz KRPQHLIKJZMROX-UHFFFAOYSA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1c(C[N@@H+]2CCS[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000464778024 374896127 /nfs/dbraw/zinc/89/61/27/374896127.db2.gz WSWAHAISBGXQOC-OAHLLOKOSA-N 1 0 294.420 3.477 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC1([NH+](C)C)CCC1 ZINC000186965899 374947512 /nfs/dbraw/zinc/94/75/12/374947512.db2.gz HHPCLTGIOTWQPT-ZDUSSCGKSA-N 1 0 291.395 3.072 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[C@@H]1C ZINC000487990743 375292129 /nfs/dbraw/zinc/29/21/29/375292129.db2.gz RVNWHEACMXEXHL-BBRMVZONSA-N 1 0 292.379 3.232 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCS[C@H](C)CC2)cc1[N+](=O)[O-] ZINC000190691048 375530669 /nfs/dbraw/zinc/53/06/69/375530669.db2.gz HOKFTDBQZJJKNE-GFCCVEGCSA-N 1 0 280.393 3.231 20 5 CGBDRO CCC[C@H]([NH2+]CCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000192930794 375805402 /nfs/dbraw/zinc/80/54/02/375805402.db2.gz RDPPBGHZMOSBRM-HNNXBMFYSA-N 1 0 280.368 3.188 20 5 CGBDRO COC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCC1 ZINC000193274675 375851068 /nfs/dbraw/zinc/85/10/68/375851068.db2.gz PPHYJVVQSJZQNW-OAHLLOKOSA-N 1 0 290.363 3.131 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCF ZINC000536852176 376137498 /nfs/dbraw/zinc/13/74/98/376137498.db2.gz NJSXNVDIPIVLPQ-NSHDSACASA-N 1 0 286.372 3.415 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000224054606 376270348 /nfs/dbraw/zinc/27/03/48/376270348.db2.gz OAMVZRYWXXAJTM-GZBFAFLISA-N 1 0 292.379 3.105 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@@H]1C ZINC000538936697 376278745 /nfs/dbraw/zinc/27/87/45/376278745.db2.gz IUMVJVSPKBNXIG-ZFWWWQNUSA-N 1 0 291.395 3.212 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000539510198 376315497 /nfs/dbraw/zinc/31/54/97/376315497.db2.gz QPONFKVEYLIOCR-FDRIWYBQSA-N 1 0 292.379 3.305 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054862 376353611 /nfs/dbraw/zinc/35/36/11/376353611.db2.gz CKVAGJMQTHVUMY-STQMWFEESA-N 1 0 278.352 3.237 20 5 CGBDRO CCC[N@H+](CC)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227891247 376419484 /nfs/dbraw/zinc/41/94/84/376419484.db2.gz UDZHIEQDOUDPDM-UHFFFAOYSA-N 1 0 287.310 3.017 20 5 CGBDRO Cc1ccc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000338382207 376358602 /nfs/dbraw/zinc/35/86/02/376358602.db2.gz WOFBOBRQZVWJOH-UHFFFAOYSA-N 1 0 299.374 3.281 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[C@@H]2C2CC2)cc1 ZINC000540302962 376368940 /nfs/dbraw/zinc/36/89/40/376368940.db2.gz VMVHIGSUZMQCGI-CVEARBPZSA-N 1 0 274.364 3.306 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCCC[NH+]1CCCCC1 ZINC000338906791 376567604 /nfs/dbraw/zinc/56/76/04/376567604.db2.gz HKQVFZNOEXHLOH-UHFFFAOYSA-N 1 0 277.368 3.191 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000542706080 376572229 /nfs/dbraw/zinc/57/22/29/376572229.db2.gz ONVCADILXFKOMI-GDBMZVCRSA-N 1 0 292.379 3.196 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339675034 376801930 /nfs/dbraw/zinc/80/19/30/376801930.db2.gz BSVKMXYZROAKSG-CYBMUJFWSA-N 1 0 290.363 3.225 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000558602963 377023177 /nfs/dbraw/zinc/02/31/77/377023177.db2.gz AKUWSWGHXFGKOG-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000340520991 377118459 /nfs/dbraw/zinc/11/84/59/377118459.db2.gz AMSVNTOYLUHEQX-ZWKOPEQDSA-N 1 0 252.289 3.136 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000340472160 377082964 /nfs/dbraw/zinc/08/29/64/377082964.db2.gz ZVPARQKHWIICNT-MNOVXSKESA-N 1 0 254.305 3.302 20 5 CGBDRO C[C@H](N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000247252851 377185311 /nfs/dbraw/zinc/18/53/11/377185311.db2.gz YKVOHTAXEBUCJL-NWANDNLSSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000248644658 377373652 /nfs/dbraw/zinc/37/36/52/377373652.db2.gz SBPLQHWBJZXDRS-NEPJUHHUSA-N 1 0 280.393 3.229 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000184652024 249055614 /nfs/dbraw/zinc/05/56/14/249055614.db2.gz XISQOVVMAQTQGU-LBPRGKRZSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1ccnc([C@@H]2CC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC000517038791 249256026 /nfs/dbraw/zinc/25/60/26/249256026.db2.gz NHZNXGOYNYMGKZ-OAHLLOKOSA-N 1 0 297.358 3.288 20 5 CGBDRO C[NH+](C)CCc1ccc(CNc2ccccc2[N+](=O)[O-])cc1 ZINC000341494869 377592468 /nfs/dbraw/zinc/59/24/68/377592468.db2.gz YDFJYPRTKFDMNP-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOCC1CCC1 ZINC000574011134 377607290 /nfs/dbraw/zinc/60/72/90/377607290.db2.gz PLTDUQNMQSVVLB-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C[N@H+](CC[C@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000342610371 377689229 /nfs/dbraw/zinc/68/92/29/377689229.db2.gz WGIWSNMSZUUJPM-CYBMUJFWSA-N 1 0 298.770 3.249 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]1C1CCC1 ZINC000343004329 377880775 /nfs/dbraw/zinc/88/07/75/377880775.db2.gz FYQBEPLXSDJBEO-AWEZNQCLSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000343107472 377904170 /nfs/dbraw/zinc/90/41/70/377904170.db2.gz RBNVBCATUTZHNF-GFCCVEGCSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c(F)c1 ZINC000343956374 378143278 /nfs/dbraw/zinc/14/32/78/378143278.db2.gz DHDHCRQJFFHZGK-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCCOC ZINC000271116536 378455369 /nfs/dbraw/zinc/45/53/69/378455369.db2.gz IMRJBINAJZUDPA-LBPRGKRZSA-N 1 0 298.408 3.092 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000271154773 378464626 /nfs/dbraw/zinc/46/46/26/378464626.db2.gz RABHLPYLFNTWAF-RYUDHWBXSA-N 1 0 296.367 3.069 20 5 CGBDRO O=[N+]([O-])c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1 ZINC000273139636 378737500 /nfs/dbraw/zinc/73/75/00/378737500.db2.gz DQBSZDDXQCANKQ-UHFFFAOYSA-N 1 0 299.334 3.119 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCN(C)[C@H]2C)cc1[N+](=O)[O-] ZINC000346797102 218017167 /nfs/dbraw/zinc/01/71/67/218017167.db2.gz KTWUIHPVCSXLIT-YDHLFZDLSA-N 1 0 291.395 3.037 20 5 CGBDRO C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250414 378864585 /nfs/dbraw/zinc/86/45/85/378864585.db2.gz YWNPMGCBRHQUBY-KOLCDFICSA-N 1 0 288.269 3.368 20 5 CGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000276953442 379029252 /nfs/dbraw/zinc/02/92/52/379029252.db2.gz VQWDCMOXOPEGQT-FZMZJTMJSA-N 1 0 280.368 3.041 20 5 CGBDRO COC1(C[C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000277006334 379043702 /nfs/dbraw/zinc/04/37/02/379043702.db2.gz BFWREWGYNWKUAB-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)Cc1ccncc1 ZINC000350111166 379509497 /nfs/dbraw/zinc/50/94/97/379509497.db2.gz VSXWHESOTGVPSO-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000378233004 379792941 /nfs/dbraw/zinc/79/29/41/379792941.db2.gz KKGMTUKAGCOUFY-YUELXQCFSA-N 1 0 290.363 3.014 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000393587658 379914743 /nfs/dbraw/zinc/91/47/43/379914743.db2.gz BQMQRCUCCCMYNC-CQSZACIVSA-N 1 0 294.395 3.433 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388268627 379884512 /nfs/dbraw/zinc/88/45/12/379884512.db2.gz GHTVIGLSXISWDM-WQGACYEGSA-N 1 0 292.379 3.367 20 5 CGBDRO CC[C@H]([NH2+]CCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402251306 379962649 /nfs/dbraw/zinc/96/26/49/379962649.db2.gz ADYBZBXKEBRRLZ-BBRMVZONSA-N 1 0 292.379 3.452 20 5 CGBDRO COc1cc(C[NH2+][C@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352769558 379950667 /nfs/dbraw/zinc/95/06/67/379950667.db2.gz NIWDWHPDDPGVOO-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353221639 380175283 /nfs/dbraw/zinc/17/52/83/380175283.db2.gz ZEMZJBBZFUSKMM-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCC1CCOCC1 ZINC000268225882 190388334 /nfs/dbraw/zinc/38/83/34/190388334.db2.gz XJYKDEYGNVYREF-ZDUSSCGKSA-N 1 0 292.379 3.404 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000353985875 380265321 /nfs/dbraw/zinc/26/53/21/380265321.db2.gz FNTPATXWSGMPGU-CJNGLKHVSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)O1 ZINC000414519868 380293967 /nfs/dbraw/zinc/29/39/67/380293967.db2.gz UVPWYCJRKMXTCI-JFGNBEQYSA-N 1 0 298.770 3.151 20 5 CGBDRO CC[NH2+]Cc1cccc(NCc2ccccc2[N+](=O)[O-])c1 ZINC000414865270 380465596 /nfs/dbraw/zinc/46/55/96/380465596.db2.gz KTTUYQOCRWNPON-UHFFFAOYSA-N 1 0 285.347 3.316 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000417357649 380607642 /nfs/dbraw/zinc/60/76/42/380607642.db2.gz HAUWLJRWZNZLKZ-QWHCGFSZSA-N 1 0 280.368 3.307 20 5 CGBDRO COCCCC[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000419381201 380823624 /nfs/dbraw/zinc/82/36/24/380823624.db2.gz HZAJKBHPDADKBD-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000348274466 218542022 /nfs/dbraw/zinc/54/20/22/218542022.db2.gz BQKYEHKTLHVVQS-ZIAGYGMSSA-N 1 0 260.337 3.181 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000419355387 380813647 /nfs/dbraw/zinc/81/36/47/380813647.db2.gz DYPOFYJBFYNTPA-HNNXBMFYSA-N 1 0 292.404 3.312 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421386091 380933166 /nfs/dbraw/zinc/93/31/66/380933166.db2.gz RBOCFYFYNUFZFW-NEPJUHHUSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000357041282 381007491 /nfs/dbraw/zinc/00/74/91/381007491.db2.gz QQSBYPXZWHCODJ-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO COc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000361616778 381840113 /nfs/dbraw/zinc/84/01/13/381840113.db2.gz PMSAJCDEERMJBM-QWRGUYRKSA-N 1 0 296.342 3.220 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000362957465 382163718 /nfs/dbraw/zinc/16/37/18/382163718.db2.gz JBJQUBPPKQOHNA-ZIAGYGMSSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccccc32)cc1 ZINC000020130080 285114916 /nfs/dbraw/zinc/11/49/16/285114916.db2.gz WLMVFVNWDDZKSU-MRXNPFEDSA-N 1 0 268.316 3.372 20 5 CGBDRO CO[C@H](C)C[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000353783031 220327016 /nfs/dbraw/zinc/32/70/16/220327016.db2.gz WXKOEEKNWWRWHV-CYBMUJFWSA-N 1 0 280.368 3.149 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350341942 219009840 /nfs/dbraw/zinc/00/98/40/219009840.db2.gz LUOVSMMKPMZSOB-IUODEOHRSA-N 1 0 296.342 3.027 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000353861964 220373387 /nfs/dbraw/zinc/37/33/87/220373387.db2.gz BGSHNXHAPFVOFY-TXEJJXNPSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000288492519 197093327 /nfs/dbraw/zinc/09/33/27/197093327.db2.gz HHZFDBJVHQUZKH-ZBEGNZNMSA-N 1 0 284.315 3.207 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243009 533177471 /nfs/dbraw/zinc/17/74/71/533177471.db2.gz HGKFCWYNAJVIHG-CYBMUJFWSA-N 1 0 294.395 3.178 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000426769387 533220842 /nfs/dbraw/zinc/22/08/42/533220842.db2.gz ILMBHBMXCPJVFQ-STQMWFEESA-N 1 0 290.363 3.225 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)C1 ZINC000470176067 533382611 /nfs/dbraw/zinc/38/26/11/533382611.db2.gz HYYKZRYTLOTGQX-OEMOTLHWSA-N 1 0 260.337 3.340 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1C[C@H]1C ZINC000414132754 533450623 /nfs/dbraw/zinc/45/06/23/533450623.db2.gz MTHOSGBBSBSLHU-LNLATYFQSA-N 1 0 268.744 3.382 20 5 CGBDRO CCOC[C@@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189794471 130022915 /nfs/dbraw/zinc/02/29/15/130022915.db2.gz HRQCECXDRSKDDC-IUODEOHRSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@@H](C)CC1 ZINC000192176357 130389281 /nfs/dbraw/zinc/38/92/81/130389281.db2.gz OCHYSKZKPNZHHQ-RYUDHWBXSA-N 1 0 280.393 3.483 20 5 CGBDRO C[NH+](C)C1(CNc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000097934367 392263432 /nfs/dbraw/zinc/26/34/32/392263432.db2.gz OZTXXVRIJXJQRU-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCCCF)C2CC2)cc1 ZINC000285818873 392333642 /nfs/dbraw/zinc/33/36/42/392333642.db2.gz ZRQDYSQMJYRDLL-UHFFFAOYSA-N 1 0 266.316 3.309 20 5 CGBDRO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000252664211 131136076 /nfs/dbraw/zinc/13/60/76/131136076.db2.gz VZKBJWMQWAGXTC-CJNGLKHVSA-N 1 0 292.379 3.403 20 5 CGBDRO Cc1cc(N[C@H](C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000136405432 392478378 /nfs/dbraw/zinc/47/83/78/392478378.db2.gz QTGWFTURGBFXNP-MWLCHTKSSA-N 1 0 289.335 3.023 20 5 CGBDRO CCC[NH+](CCC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000505565388 392674214 /nfs/dbraw/zinc/67/42/14/392674214.db2.gz UXAFQXJIYOTEGM-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO COc1cc(C[N@H+](C)CCC(C)C)c([N+](=O)[O-])cc1OC ZINC000180047089 392705933 /nfs/dbraw/zinc/70/59/33/392705933.db2.gz MLVNTAOSQFEKTM-UHFFFAOYSA-N 1 0 296.367 3.090 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000414967321 393070964 /nfs/dbraw/zinc/07/09/64/393070964.db2.gz BBJTZMVSYSSRSE-UHFFFAOYSA-N 1 0 297.358 3.243 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466928001 393073735 /nfs/dbraw/zinc/07/37/35/393073735.db2.gz XXHTXXDALACTIH-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCC[C@@H]1C ZINC000470174914 393229795 /nfs/dbraw/zinc/22/97/95/393229795.db2.gz NVSJNCAXAIVNEY-SUIFULHWSA-N 1 0 260.337 3.482 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@](C)(F)C1 ZINC000470175724 393229892 /nfs/dbraw/zinc/22/98/92/393229892.db2.gz FKLJLQCFKDHMKU-LDCOFTPGSA-N 1 0 278.327 3.432 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000470177068 393231708 /nfs/dbraw/zinc/23/17/08/393231708.db2.gz OZFOQXOUWFINLF-RAXLEYEMSA-N 1 0 260.337 3.484 20 5 CGBDRO CCC(O)(CC)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000471828580 393314098 /nfs/dbraw/zinc/31/40/98/393314098.db2.gz XMNJTKGOAXBLAU-CLFYSBASSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC(=O)c1ccc(NCC([NH3+])(CC)CC)c([N+](=O)[O-])c1 ZINC000420204129 393436418 /nfs/dbraw/zinc/43/64/18/393436418.db2.gz SABREHDMQSAZTD-UHFFFAOYSA-N 1 0 293.367 3.117 20 5 CGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000420289445 393449721 /nfs/dbraw/zinc/44/97/21/393449721.db2.gz ZHTOBQSFDBTYMJ-INIZCTEOSA-N 1 0 285.347 3.269 20 5 CGBDRO Nc1cccc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)c1 ZINC000420353254 393472046 /nfs/dbraw/zinc/47/20/46/393472046.db2.gz BLJJFTXKRHRDFA-UHFFFAOYSA-N 1 0 297.358 3.342 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1ccccc1 ZINC000430211765 393540303 /nfs/dbraw/zinc/54/03/03/393540303.db2.gz YTBNPPUQFMSIBA-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429765899 393500781 /nfs/dbraw/zinc/50/07/81/393500781.db2.gz LTUVRWXYYWILNP-SWLSCSKDSA-N 1 0 278.352 3.142 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C[C@H]1CC=CCC1 ZINC000430199162 393537822 /nfs/dbraw/zinc/53/78/22/393537822.db2.gz BBAMHPHKTJLJHV-ZDUSSCGKSA-N 1 0 290.363 3.392 20 5 CGBDRO Cc1cc(N2CCc3c[nH+]ccc32)c(F)cc1[N+](=O)[O-] ZINC000360081212 393559911 /nfs/dbraw/zinc/55/99/11/393559911.db2.gz DGDFUQIHPPZPRT-UHFFFAOYSA-N 1 0 273.267 3.132 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000490059584 393629356 /nfs/dbraw/zinc/62/93/56/393629356.db2.gz NHWDSOGQMNRYHI-GFCCVEGCSA-N 1 0 280.368 3.471 20 5 CGBDRO Cc1ccc([C@H](C)N[C@H](C[NH3+])C2CCCC2)cc1[N+](=O)[O-] ZINC000423501478 393672203 /nfs/dbraw/zinc/67/22/03/393672203.db2.gz DQDPJWBYDUZQKF-SWLSCSKDSA-N 1 0 291.395 3.071 20 5 CGBDRO CCOc1cc(C[N@H+](C)CC(C)(C)C)ccc1[N+](=O)[O-] ZINC000492461809 393739124 /nfs/dbraw/zinc/73/91/24/393739124.db2.gz LTINZRDJOXETQV-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CCC(=O)CCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000450595117 394027600 /nfs/dbraw/zinc/02/76/00/394027600.db2.gz DQPAKANXMSBMGU-UHFFFAOYSA-N 1 0 290.363 3.319 20 5 CGBDRO CC[C@H](N[C@@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691348 397625856 /nfs/dbraw/zinc/62/58/56/397625856.db2.gz UHYSKIVPDCWODF-BBRMVZONSA-N 1 0 293.411 3.366 20 5 CGBDRO Cc1c(C[N@@H+]2CCSC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000083416942 287079905 /nfs/dbraw/zinc/07/99/05/287079905.db2.gz KMBGQMHCOFOMQX-UHFFFAOYSA-N 1 0 280.393 3.231 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CC)COC)c1cccc([N+](=O)[O-])c1 ZINC000079737504 165151124 /nfs/dbraw/zinc/15/11/24/165151124.db2.gz RSRHEZXDTURGHN-ZFWWWQNUSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@H]([NH2+]Cc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000090224344 165231281 /nfs/dbraw/zinc/23/12/81/165231281.db2.gz CAWHJGIAQYOJBL-ZDUSSCGKSA-N 1 0 277.349 3.292 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000094948880 165394604 /nfs/dbraw/zinc/39/46/04/165394604.db2.gz DUNYPIWWMSTWBI-BBRMVZONSA-N 1 0 294.395 3.434 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000094324522 287122148 /nfs/dbraw/zinc/12/21/48/287122148.db2.gz QFULGEPRUXTSIK-AWEZNQCLSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])cc1C ZINC000301500006 165856115 /nfs/dbraw/zinc/85/61/15/165856115.db2.gz DFRWUPHESHSSAT-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000121913508 287204443 /nfs/dbraw/zinc/20/44/43/287204443.db2.gz LEQNRGLXTORTPL-LBPRGKRZSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H]1CC2(CCC2)C[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000433023516 287235686 /nfs/dbraw/zinc/23/56/86/287235686.db2.gz QRQJLNBQRYDULL-GFCCVEGCSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccccc1[N+](=O)[O-] ZINC000021506210 171308289 /nfs/dbraw/zinc/30/82/89/171308289.db2.gz JICQGBFEGLSJRK-ZDUSSCGKSA-N 1 0 277.368 3.271 20 5 CGBDRO C[C@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285447766 196286560 /nfs/dbraw/zinc/28/65/60/196286560.db2.gz IVDDJOFGMDNANI-QWRGUYRKSA-N 1 0 298.770 3.010 20 5 CGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000285447769 196287555 /nfs/dbraw/zinc/28/75/55/196287555.db2.gz IVDDJOFGMDNANI-WDEREUQCSA-N 1 0 298.770 3.010 20 5 CGBDRO Cc1ccc(C[NH2+]CCCC(C)C)cc1[N+](=O)[O-] ZINC000037985072 173946588 /nfs/dbraw/zinc/94/65/88/173946588.db2.gz ZOHSHHLVTQZVCN-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000038095916 174109233 /nfs/dbraw/zinc/10/92/33/174109233.db2.gz METQJIUVAUXPCE-TZMCWYRMSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000040735746 174389184 /nfs/dbraw/zinc/38/91/84/174389184.db2.gz NMXZHXDJPCYQFG-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccsc2)cc1[N+](=O)[O-] ZINC000042374090 174702780 /nfs/dbraw/zinc/70/27/80/174702780.db2.gz XHAHFVGTGWTLPG-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1nccs1 ZINC000127910986 287298859 /nfs/dbraw/zinc/29/88/59/287298859.db2.gz BGHDDSOZTOIBMI-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO CCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000078726430 177376802 /nfs/dbraw/zinc/37/68/02/177376802.db2.gz BBTVXDCCLARQGP-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO C[N@H+](Cc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000078822143 177393748 /nfs/dbraw/zinc/39/37/48/177393748.db2.gz CNLJNLKXFQITQS-UHFFFAOYSA-N 1 0 256.305 3.227 20 5 CGBDRO CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000131816719 287390037 /nfs/dbraw/zinc/39/00/37/287390037.db2.gz NKZOJUIDVKKJQA-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000424341560 533681916 /nfs/dbraw/zinc/68/19/16/533681916.db2.gz DNNVQHWBVHYWHS-MHEUCROKSA-N 1 0 274.364 3.304 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@@H]2CC23CC3)c1 ZINC000418097894 228036341 /nfs/dbraw/zinc/03/63/41/228036341.db2.gz OASFCYSXLSKATA-JTQLQIEISA-N 1 0 298.289 3.086 20 5 CGBDRO CC(C)=CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188445439 262297126 /nfs/dbraw/zinc/29/71/26/262297126.db2.gz SPXLYAXAIKVTPQ-ZDUSSCGKSA-N 1 0 262.353 3.472 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000184588633 270059203 /nfs/dbraw/zinc/05/92/03/270059203.db2.gz MBMTXWJQJUMFAJ-ZWNOBZJWSA-N 1 0 266.316 3.402 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324696076 270094466 /nfs/dbraw/zinc/09/44/66/270094466.db2.gz SBSBIEZVTUBOLA-HNNXBMFYSA-N 1 0 260.337 3.263 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCOCC1 ZINC000527054719 270124707 /nfs/dbraw/zinc/12/47/07/270124707.db2.gz NTLMTEHUYUIVRM-JLHYYAGUSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1ccccc1[N+](=O)[O-] ZINC000531140623 270204475 /nfs/dbraw/zinc/20/44/75/270204475.db2.gz AVCDFOOKGJOSPQ-GFCCVEGCSA-N 1 0 250.342 3.463 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC(C)C ZINC000531948038 270211149 /nfs/dbraw/zinc/21/11/49/270211149.db2.gz NNCIKDOPLXVUMG-CYBMUJFWSA-N 1 0 280.368 3.369 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000278846043 274262206 /nfs/dbraw/zinc/26/22/06/274262206.db2.gz VDEKYCNSVLRKNR-BMIGLBTASA-N 1 0 286.335 3.046 20 5 CGBDRO C[C@@H]1CCC[C@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786617 274296490 /nfs/dbraw/zinc/29/64/90/274296490.db2.gz OPUZUTUSQOANNX-OLZOCXBDSA-N 1 0 289.379 3.174 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000252729499 287843640 /nfs/dbraw/zinc/84/36/40/287843640.db2.gz GYWFJLLTIBONFO-BPUTZDHNSA-N 1 0 292.379 3.329 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356790561 276587620 /nfs/dbraw/zinc/58/76/20/276587620.db2.gz SRFMYQBOKSJNPF-BJJXKVORSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCCC2(F)F)c1 ZINC000394650977 288002846 /nfs/dbraw/zinc/00/28/46/288002846.db2.gz KNXGOHRSGIZJBV-NSHDSACASA-N 1 0 270.279 3.120 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000395103081 288005608 /nfs/dbraw/zinc/00/56/08/288005608.db2.gz ALDSXESFRMSKQP-JRKPZEMJSA-N 1 0 268.744 3.382 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000397916635 288034747 /nfs/dbraw/zinc/03/47/47/288034747.db2.gz ISHWYXXQNPGOAU-SCVCMEIPSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CS1 ZINC000397996318 288037137 /nfs/dbraw/zinc/03/71/37/288037137.db2.gz QLPAMVYBPXDYHH-WPRPVWTQSA-N 1 0 286.784 3.232 20 5 CGBDRO Cc1ccc(C[NH2+][C@@]2(C)CC=CCC2)cc1[N+](=O)[O-] ZINC000398473892 288044902 /nfs/dbraw/zinc/04/49/02/288044902.db2.gz PFHYHPXVPFDJGE-HNNXBMFYSA-N 1 0 260.337 3.492 20 5 CGBDRO CC(C)C[C@H]1CCCCC[N@@H+]1Cc1c([N+](=O)[O-])ncn1C ZINC000331700086 279204448 /nfs/dbraw/zinc/20/44/48/279204448.db2.gz ZFJVCXPJPJQVIC-CYBMUJFWSA-N 1 0 294.399 3.119 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CSCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000132600521 279487703 /nfs/dbraw/zinc/48/77/03/279487703.db2.gz MIAXVHPUJXNEOY-GWCFXTLKSA-N 1 0 298.433 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC(F)(F)CC2)cc1 ZINC000341710953 280364308 /nfs/dbraw/zinc/36/43/08/280364308.db2.gz JQUYYWSQUHGDDB-UHFFFAOYSA-N 1 0 270.279 3.262 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000224529961 280963677 /nfs/dbraw/zinc/96/36/77/280963677.db2.gz VYJKDUQFLZLTHD-RRFJBIMHSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CCCO1 ZINC000281303590 281174303 /nfs/dbraw/zinc/17/43/03/281174303.db2.gz HPSLGDGHBKYNNE-ZFWWWQNUSA-N 1 0 292.379 3.465 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000531723061 288343181 /nfs/dbraw/zinc/34/31/81/288343181.db2.gz MPCSOXFLCBVTHB-GZBFAFLISA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CSC2(C)C)cccc1[N+](=O)[O-] ZINC000549237459 289038805 /nfs/dbraw/zinc/03/88/05/289038805.db2.gz PSOFNOOYUFOGBR-ZWNOBZJWSA-N 1 0 280.393 3.448 20 5 CGBDRO CC(C)[C@H]1CC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000552248730 289175144 /nfs/dbraw/zinc/17/51/44/289175144.db2.gz QYWOMYAPUPUXQP-CABCVRRESA-N 1 0 262.353 3.162 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388268622 327863451 /nfs/dbraw/zinc/86/34/51/327863451.db2.gz GHTVIGLSXISWDM-MKBNYLNASA-N 1 0 292.379 3.367 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000566475924 322125046 /nfs/dbraw/zinc/12/50/46/322125046.db2.gz QXAJXCYZMMKCOY-KJEVXHAQSA-N 1 0 272.348 3.360 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000566475920 322125121 /nfs/dbraw/zinc/12/51/21/322125121.db2.gz QXAJXCYZMMKCOY-AQNFWKISSA-N 1 0 272.348 3.360 20 5 CGBDRO CCC[C@H](C)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000566848924 322140529 /nfs/dbraw/zinc/14/05/29/322140529.db2.gz YBZRKDBTALNKDN-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569471018 322248326 /nfs/dbraw/zinc/24/83/26/322248326.db2.gz FDMCEVRPZJGBOV-AWEZNQCLSA-N 1 0 292.379 3.234 20 5 CGBDRO CCCC[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCO ZINC000571091466 322289631 /nfs/dbraw/zinc/28/96/31/322289631.db2.gz XPXCYTDHQWJJGS-RMKNXTFCSA-N 1 0 292.379 3.093 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H](C)C(C)C ZINC000572410780 322335990 /nfs/dbraw/zinc/33/59/90/322335990.db2.gz PBCXBDPACSIKTF-LBPRGKRZSA-N 1 0 250.342 3.380 20 5 CGBDRO COc1ccc(C[NH2+]CC2=CCCCC2)cc1[N+](=O)[O-] ZINC000379756256 331307623 /nfs/dbraw/zinc/30/76/23/331307623.db2.gz VTHCABZWNYESKE-UHFFFAOYSA-N 1 0 276.336 3.193 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000581201406 336024003 /nfs/dbraw/zinc/02/40/03/336024003.db2.gz YTJKBBAISQIIBE-CQSZACIVSA-N 1 0 292.379 3.377 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCCC1(F)F ZINC000381698797 336071057 /nfs/dbraw/zinc/07/10/57/336071057.db2.gz ONLSFTQDSDZWKM-NSHDSACASA-N 1 0 270.279 3.120 20 5 CGBDRO CCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000382517865 336091913 /nfs/dbraw/zinc/09/19/13/336091913.db2.gz SACRQSXVDSGWDG-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CCC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000382548161 336093204 /nfs/dbraw/zinc/09/32/04/336093204.db2.gz GOERZOFVWCHROJ-UHFFFAOYSA-N 1 0 262.353 3.450 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383884175 336119048 /nfs/dbraw/zinc/11/90/48/336119048.db2.gz HBKGFOYCWHAUQK-SECBINFHSA-N 1 0 287.310 3.014 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC1CC(F)(F)C1 ZINC000581736174 336140383 /nfs/dbraw/zinc/14/03/83/336140383.db2.gz NNMXRUQFIYHFTL-GFCCVEGCSA-N 1 0 282.290 3.217 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000426461827 533846091 /nfs/dbraw/zinc/84/60/91/533846091.db2.gz POGZUNDDBWBXIW-IUODEOHRSA-N 1 0 260.337 3.278 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CSC1(C)C ZINC000449315065 534254321 /nfs/dbraw/zinc/25/43/21/534254321.db2.gz SYSHMEFTPWQZPX-GWCFXTLKSA-N 1 0 280.393 3.009 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)s1 ZINC000050225366 524585029 /nfs/dbraw/zinc/58/50/29/524585029.db2.gz DZYPPVPHJCHOBK-UHFFFAOYSA-N 1 0 268.363 3.316 20 5 CGBDRO Cc1csc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449073404 534817792 /nfs/dbraw/zinc/81/77/92/534817792.db2.gz MTNWSTVVKHEFSV-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3c2cccc3O)c1 ZINC000052926171 527386274 /nfs/dbraw/zinc/38/62/74/527386274.db2.gz HDMFGUYRMADEKT-OAHLLOKOSA-N 1 0 284.315 3.078 20 5 CGBDRO CC(C)CCOCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103291 527760208 /nfs/dbraw/zinc/76/02/08/527760208.db2.gz AMABMNHOFLUFLH-AWEZNQCLSA-N 1 0 294.395 3.178 20 5 CGBDRO CC(C)CCOCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449103292 527760670 /nfs/dbraw/zinc/76/06/70/527760670.db2.gz AMABMNHOFLUFLH-CQSZACIVSA-N 1 0 294.395 3.178 20 5 CGBDRO CC[C@@H](O)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311953 529224094 /nfs/dbraw/zinc/22/40/94/529224094.db2.gz MSPOBBRKOMPUJK-GDBMZVCRSA-N 1 0 292.379 3.113 20 5 CGBDRO CC(C)[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CC1 ZINC000516905909 535121071 /nfs/dbraw/zinc/12/10/71/535121071.db2.gz LJQIMBCNDAGHPA-UHFFFAOYSA-N 1 0 288.351 3.092 20 5 CGBDRO CC/C=C/C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453339494 535244420 /nfs/dbraw/zinc/24/44/20/535244420.db2.gz ZJMBLAPMVKTEKA-YFCVBGDOSA-N 1 0 274.364 3.472 20 5 CGBDRO CC1(C)CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000726969980 571694317 /nfs/dbraw/zinc/69/43/17/571694317.db2.gz GHZWRXPJZWVCRP-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738227759 571981981 /nfs/dbraw/zinc/98/19/81/571981981.db2.gz YYTMXAWEQVBEFT-LBPRGKRZSA-N 1 0 288.351 3.167 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)c1 ZINC000750074372 573079344 /nfs/dbraw/zinc/07/93/44/573079344.db2.gz XKUYCUWSOZMDFX-IAGOWNOFSA-N 1 0 298.342 3.075 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000934235640 618555744 /nfs/dbraw/zinc/55/57/44/618555744.db2.gz VMLVYEGWBZYKJJ-GFCCVEGCSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1c(CNCC[NH+](C(C)C)C(C)C)cccc1[N+](=O)[O-] ZINC000035648634 619008776 /nfs/dbraw/zinc/00/87/76/619008776.db2.gz SFSOVWJUKMHFDJ-UHFFFAOYSA-N 1 0 293.411 3.112 20 5 CGBDRO CCCSC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893330213 619101938 /nfs/dbraw/zinc/10/19/38/619101938.db2.gz XCZPMCUCJKAFCV-LLVKDONJSA-N 1 0 268.382 3.216 20 5 CGBDRO CC(C)CCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000894079116 619368649 /nfs/dbraw/zinc/36/86/49/619368649.db2.gz NKLTYGNNOKGABW-UHFFFAOYSA-N 1 0 294.399 3.255 20 5 CGBDRO CCc1ccc([C@H]2CCCCC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000791054103 619435465 /nfs/dbraw/zinc/43/54/65/619435465.db2.gz XIIUNVMALGCGBN-CYBMUJFWSA-N 1 0 266.341 3.036 20 5 CGBDRO CC1([NH+]2CCC2)CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000896255443 619979208 /nfs/dbraw/zinc/97/92/08/619979208.db2.gz KHLGMFOHSZVOHR-UHFFFAOYSA-N 1 0 295.408 3.475 20 5 CGBDRO Cc1c(F)nccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896509437 620015966 /nfs/dbraw/zinc/01/59/66/620015966.db2.gz DZSYUGKYFSGEGH-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@H](C)CC1 ZINC000896583357 620030004 /nfs/dbraw/zinc/03/00/04/620030004.db2.gz FWJPIXQPMAKFPY-QLKUMGTLSA-N 1 0 290.363 3.109 20 5 CGBDRO CSCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872040208 620274771 /nfs/dbraw/zinc/27/47/71/620274771.db2.gz XXTVZNHVBCMTSG-VIFPVBQESA-N 1 0 272.345 3.138 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000897800570 620434683 /nfs/dbraw/zinc/43/46/83/620434683.db2.gz RWUMJKCWPQOMLA-LBPRGKRZSA-N 1 0 280.393 3.359 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000927022411 620563738 /nfs/dbraw/zinc/56/37/38/620563738.db2.gz ACWGDOBDMKIAPQ-GXTWGEPZSA-N 1 0 280.368 3.105 20 5 CGBDRO CCO[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000902793546 621450283 /nfs/dbraw/zinc/45/02/83/621450283.db2.gz KRVMPLQUCZGKFN-HOCLYGCPSA-N 1 0 292.379 3.075 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000903288290 621671927 /nfs/dbraw/zinc/67/19/27/621671927.db2.gz WJTAUSJKGITFPF-INWMFGNUSA-N 1 0 292.379 3.449 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903332497 621707475 /nfs/dbraw/zinc/70/74/75/621707475.db2.gz SYHIZLAAWQSHSZ-RYUDHWBXSA-N 1 0 280.368 3.367 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)C(C)(C)OC ZINC000903332655 621707629 /nfs/dbraw/zinc/70/76/29/621707629.db2.gz TWLODDKPOJJHCH-QWRGUYRKSA-N 1 0 296.367 3.068 20 5 CGBDRO CC(C)([NH3+])c1ccc(NCc2csc([N+](=O)[O-])c2)cc1 ZINC000904470575 621925428 /nfs/dbraw/zinc/92/54/28/621925428.db2.gz MGBBOHICTUBEKF-UHFFFAOYSA-N 1 0 291.376 3.462 20 5 CGBDRO C[C@H](CC[NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC000905144639 622042529 /nfs/dbraw/zinc/04/25/29/622042529.db2.gz GIEBUWUOFMBOQA-SNVBAGLBSA-N 1 0 290.285 3.065 20 5 CGBDRO C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929773826 623626404 /nfs/dbraw/zinc/62/64/04/623626404.db2.gz IYWUNPDKQKTIHQ-MNOVXSKESA-N 1 0 270.760 3.041 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NC1CC[NH+](CC2CC2)CC1 ZINC000194038731 624046462 /nfs/dbraw/zinc/04/64/62/624046462.db2.gz KSRVMOVLLXQISS-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1CCCCCCC1 ZINC000916984316 624225011 /nfs/dbraw/zinc/22/50/11/624225011.db2.gz CUQIOXKZUHHXKU-UHFFFAOYSA-N 1 0 278.352 3.240 20 5 CGBDRO CC[C@H]1C[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922538867 626011383 /nfs/dbraw/zinc/01/13/83/626011383.db2.gz YEDYSBVQHAEGGV-IOASZLSFSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000839657669 626770600 /nfs/dbraw/zinc/77/06/00/626770600.db2.gz DTPXJEWIYQTDPK-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO COC(C)(C)C[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000758811903 626860886 /nfs/dbraw/zinc/86/08/86/626860886.db2.gz IDLDNGNNFLYZOQ-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000774830908 628036064 /nfs/dbraw/zinc/03/60/64/628036064.db2.gz GIVLLAIGDIHHJU-QMTHXVAHSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CC1 ZINC000774838759 628036907 /nfs/dbraw/zinc/03/69/07/628036907.db2.gz KVDOLHYVCVTIKH-UHFFFAOYSA-N 1 0 293.323 3.123 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000774905716 628048368 /nfs/dbraw/zinc/04/83/68/628048368.db2.gz RCGYCIDLEYPVKK-PWSUYJOCSA-N 1 0 293.323 3.123 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000776030102 628159995 /nfs/dbraw/zinc/15/99/95/628159995.db2.gz QPLVAYWVOFMAEX-CQSZACIVSA-N 1 0 296.342 3.029 20 5 CGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H]1OC ZINC000776252543 628184484 /nfs/dbraw/zinc/18/44/84/628184484.db2.gz FPZPNUPKSPJBDR-HUUCEWRRSA-N 1 0 292.379 3.278 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000783639950 628734576 /nfs/dbraw/zinc/73/45/76/628734576.db2.gz VWGWCIHRAUCWRC-CYBMUJFWSA-N 1 0 286.759 3.009 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCc2ccccc2OC1 ZINC000786834872 628965955 /nfs/dbraw/zinc/96/59/55/628965955.db2.gz VHIQANMBOVTKDE-HNNXBMFYSA-N 1 0 298.342 3.078 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792865479 629388336 /nfs/dbraw/zinc/38/83/36/629388336.db2.gz BYTPHBPJYDMACV-QWRGUYRKSA-N 1 0 293.323 3.123 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CCSC1 ZINC000865654894 630257350 /nfs/dbraw/zinc/25/73/50/630257350.db2.gz WXJITJLNQPQQBJ-DXTPNHAXSA-N 1 0 292.404 3.341 20 5 CGBDRO C[N@H+](CCNc1cccc(F)c1[N+](=O)[O-])C1CCCCC1 ZINC000811769303 631118308 /nfs/dbraw/zinc/11/83/08/631118308.db2.gz VKXHFAXCQOCFQR-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000817413998 632143751 /nfs/dbraw/zinc/14/37/51/632143751.db2.gz BJKUKGFGSAKBPT-NEPJUHHUSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819096023 632378719 /nfs/dbraw/zinc/37/87/19/632378719.db2.gz WTESZQWDQWFFCQ-XNRPHZJLSA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819099701 632378793 /nfs/dbraw/zinc/37/87/93/632378793.db2.gz HCQHIKPIHOYDCG-OAHLLOKOSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819342310 632434592 /nfs/dbraw/zinc/43/45/92/632434592.db2.gz PJFKUJMELWGOPO-XNRPHZJLSA-N 1 0 292.379 3.044 20 5 CGBDRO COCCCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866248778 633044439 /nfs/dbraw/zinc/04/44/39/633044439.db2.gz SVSKSDBRVXQRIK-GFCCVEGCSA-N 1 0 298.358 3.071 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866288955 633066495 /nfs/dbraw/zinc/06/64/95/633066495.db2.gz BRJPXVWUBBZQCR-HOTGVXAUSA-N 1 0 290.363 3.032 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148122 635925817 /nfs/dbraw/zinc/92/58/17/635925817.db2.gz RMHUNIJDIOYULG-QWHCGFSZSA-N 1 0 292.379 3.057 20 5 CGBDRO C[C@H]([NH2+]CCCCCCCO)c1ccc([N+](=O)[O-])cc1 ZINC000830161840 633835131 /nfs/dbraw/zinc/83/51/31/633835131.db2.gz YYHRNSAADPJLLZ-ZDUSSCGKSA-N 1 0 280.368 3.188 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000872027939 633947174 /nfs/dbraw/zinc/94/71/74/633947174.db2.gz OHTQOWWZWBKTCK-MNOVXSKESA-N 1 0 296.392 3.004 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCCOC1 ZINC000872034905 633954273 /nfs/dbraw/zinc/95/42/73/633954273.db2.gz RKTKQDXMVWZIMN-QWRGUYRKSA-N 1 0 296.392 3.146 20 5 CGBDRO CC[C@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872045324 633968201 /nfs/dbraw/zinc/96/82/01/633968201.db2.gz ZKAQCVAISDKYBV-PWSUYJOCSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052345 633975888 /nfs/dbraw/zinc/97/58/88/633975888.db2.gz CKZMMGLXLOMCQT-GMTAPVOTSA-N 1 0 296.342 3.341 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@H](C)O ZINC000872066551 633988509 /nfs/dbraw/zinc/98/85/09/633988509.db2.gz JEBMGAZVVGNTMD-WDEREUQCSA-N 1 0 298.408 3.128 20 5 CGBDRO COC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000872073703 633996095 /nfs/dbraw/zinc/99/60/95/633996095.db2.gz QTIJZNKKRRZAPX-LLVKDONJSA-N 1 0 296.342 3.344 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872079652 634003246 /nfs/dbraw/zinc/00/32/46/634003246.db2.gz ZHKZDEWKBUOSGL-FCHSOHFDSA-N 1 0 296.342 3.198 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872083794 634007912 /nfs/dbraw/zinc/00/79/12/634007912.db2.gz OWEKIAJYOKUMPE-MNOVXSKESA-N 1 0 296.342 3.200 20 5 CGBDRO CS[C@@H](C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873096586 634245209 /nfs/dbraw/zinc/24/52/09/634245209.db2.gz RYXJLVAKIRDPGI-JTQLQIEISA-N 1 0 268.382 3.053 20 5 CGBDRO Cc1c(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873104058 634247060 /nfs/dbraw/zinc/24/70/60/634247060.db2.gz IINASRMXYSEDTR-JSGCOSHPSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCCSC1 ZINC000873126382 634251128 /nfs/dbraw/zinc/25/11/28/634251128.db2.gz GKYWBAIBSQWMOO-ZDUSSCGKSA-N 1 0 294.420 3.444 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000873132279 634253841 /nfs/dbraw/zinc/25/38/41/634253841.db2.gz NNVXCBHVRUJQRU-UBHSHLNASA-N 1 0 292.379 3.115 20 5 CGBDRO Cc1csc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000834883979 634265312 /nfs/dbraw/zinc/26/53/12/634265312.db2.gz VMPWJXVWTZAGCY-JTQLQIEISA-N 1 0 291.376 3.398 20 5 CGBDRO CC[C@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877054714 634964982 /nfs/dbraw/zinc/96/49/82/634964982.db2.gz KIRFOXBCOFQHML-MRFVTOPCSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840823501 635059449 /nfs/dbraw/zinc/05/94/49/635059449.db2.gz ZVNCNAXOWAGUOH-TWJQMWNJSA-N 1 0 275.352 3.016 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(F)(F)CC1 ZINC000877492403 635059559 /nfs/dbraw/zinc/05/95/59/635059559.db2.gz JRNBTECYAZZGRG-UHFFFAOYSA-N 1 0 284.306 3.443 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(C2CC2)C1 ZINC000877541618 635080797 /nfs/dbraw/zinc/08/07/97/635080797.db2.gz KAVFVHJJPIFDCT-UHFFFAOYSA-N 1 0 260.337 3.053 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C ZINC000877565577 635094161 /nfs/dbraw/zinc/09/41/61/635094161.db2.gz KCZODJFQEQLVAK-MLGOLLRUSA-N 1 0 292.379 3.068 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CSC2)o1 ZINC000877635317 635124828 /nfs/dbraw/zinc/12/48/28/635124828.db2.gz MAVGPULZOYPPCI-UHFFFAOYSA-N 1 0 290.344 3.060 20 5 CGBDRO Cc1ccc(C[NH2+]C2CC(C(F)F)C2)cc1[N+](=O)[O-] ZINC000877730189 635166061 /nfs/dbraw/zinc/16/60/61/635166061.db2.gz PISAYVJIATZMON-UHFFFAOYSA-N 1 0 270.279 3.037 20 5 CGBDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000877812886 635219434 /nfs/dbraw/zinc/21/94/34/635219434.db2.gz CDFCIKFUMXKFDX-LBPRGKRZSA-N 1 0 288.269 3.369 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000878372904 635478584 /nfs/dbraw/zinc/47/85/84/635478584.db2.gz GNTHGAHIIZPVDK-OLZOCXBDSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000878659804 635595146 /nfs/dbraw/zinc/59/51/46/635595146.db2.gz JRHRZWXDUQCXSO-WFASDCNBSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848518026 636583968 /nfs/dbraw/zinc/58/39/68/636583968.db2.gz GOURNCILBVRHKR-ABAIWWIYSA-N 1 0 286.331 3.396 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1C=CCC1 ZINC000883246031 636613841 /nfs/dbraw/zinc/61/38/41/636613841.db2.gz YIRZXSAIZWNGAS-BXUZGUMPSA-N 1 0 258.321 3.138 20 5 CGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCCC1 ZINC000885933057 637318087 /nfs/dbraw/zinc/31/80/87/637318087.db2.gz IFILALAPDLDIOQ-UHFFFAOYSA-N 1 0 263.341 3.144 20 5 CGBDRO C[C@H]1CCC[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956318 637330913 /nfs/dbraw/zinc/33/09/13/637330913.db2.gz NDIPHEYIHKWLTL-WCQYABFASA-N 1 0 263.341 3.000 20 5 CGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016794 637365672 /nfs/dbraw/zinc/36/56/72/637365672.db2.gz LXAYGYGKXSASQK-OCCSQVGLSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886018536 637367327 /nfs/dbraw/zinc/36/73/27/637367327.db2.gz BXUYYDHLURWGFU-NWDGAFQWSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021363 637369326 /nfs/dbraw/zinc/36/93/26/637369326.db2.gz UXCXRCHJZQFKNY-DYEKYZERSA-N 1 0 275.352 3.143 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])CC12CCC2 ZINC000886102570 637414451 /nfs/dbraw/zinc/41/44/51/637414451.db2.gz KGPLTZXCEHVMRU-LBPRGKRZSA-N 1 0 275.352 3.002 20 5 CGBDRO Cc1cc(C)cc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1 ZINC000886112302 637419713 /nfs/dbraw/zinc/41/97/13/637419713.db2.gz UTMPJILBIJSZGN-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC(C)(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852355460 637642709 /nfs/dbraw/zinc/64/27/09/637642709.db2.gz VGZBPKFYRCEXGC-JTQLQIEISA-N 1 0 295.339 3.417 20 5 CGBDRO C[N@H+](CCCF)Cc1cc([N+](=O)[O-])ccc1C(F)(F)F ZINC000887142606 637758705 /nfs/dbraw/zinc/75/87/05/637758705.db2.gz SBHUEHLNBGXSRJ-UHFFFAOYSA-N 1 0 294.248 3.405 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000924798353 638405411 /nfs/dbraw/zinc/40/54/11/638405411.db2.gz NAYQVSMQVGNPBT-LGTQLRDQSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1(Cl)CC1 ZINC000926493572 638777661 /nfs/dbraw/zinc/77/76/61/638777661.db2.gz UUMCHSVACXEOBU-VHSXEESVSA-N 1 0 268.744 3.405 20 5 CGBDRO COC[C@@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000927096054 638841390 /nfs/dbraw/zinc/84/13/90/638841390.db2.gz SSNVERLGMKXYFQ-VXGBXAGGSA-N 1 0 298.358 3.303 20 5 CGBDRO Cc1ccc(CNCC[NH+](C(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000034995912 638890948 /nfs/dbraw/zinc/89/09/48/638890948.db2.gz GYCBZVWQWXZKLV-UHFFFAOYSA-N 1 0 293.411 3.112 20 5 CGBDRO C[C@@H]([NH2+]CC1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000932177881 639287779 /nfs/dbraw/zinc/28/77/79/639287779.db2.gz FDFBUVCURDNVOE-SECBINFHSA-N 1 0 299.168 3.173 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176626 639288350 /nfs/dbraw/zinc/28/83/50/639288350.db2.gz KDIUDZFQANVKAF-XABYNWHXSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000932378132 639322992 /nfs/dbraw/zinc/32/29/92/639322992.db2.gz KFBIVTANDNEDIS-QGZVFWFLSA-N 1 0 297.358 3.273 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000934624432 639642796 /nfs/dbraw/zinc/64/27/96/639642796.db2.gz ZXLKDHBVOBBDCU-ZYHUDNBSSA-N 1 0 287.319 3.180 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccncc2)C2CC2)cc1 ZINC000934690821 639658098 /nfs/dbraw/zinc/65/80/98/639658098.db2.gz DLJUBNMAHBSZNN-KRWDZBQOSA-N 1 0 297.358 3.273 20 5 CGBDRO Cc1ccc(Nc2cccc(C[NH3+])c2)c([N+](=O)[O-])c1 ZINC001159649281 806142798 /nfs/dbraw/zinc/14/27/98/806142798.db2.gz MKVVCLOUOLEMHA-UHFFFAOYSA-N 1 0 257.293 3.106 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2ccccc2O[C@@H]2CC[NH2+]C2)c1 ZINC001160166896 806231046 /nfs/dbraw/zinc/23/10/46/806231046.db2.gz KBSVTOZCRGTMSK-CQSZACIVSA-N 1 0 299.330 3.079 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540155 806446518 /nfs/dbraw/zinc/44/65/18/806446518.db2.gz PFUFGLSWSHLUKZ-NEPJUHHUSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001254551118 806447379 /nfs/dbraw/zinc/44/73/79/806447379.db2.gz YJTKJKLKYPVAHB-YUELXQCFSA-N 1 0 274.364 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC001254550281 806447808 /nfs/dbraw/zinc/44/78/08/806447808.db2.gz HCKSHZGFJGZAOJ-STQMWFEESA-N 1 0 262.353 3.258 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553095 806449982 /nfs/dbraw/zinc/44/99/82/806449982.db2.gz SCLZJBMQGPCFKH-ZFWWWQNUSA-N 1 0 292.379 3.027 20 5 CGBDRO CC[N@H+]([C@H](C)Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC001254563081 806451916 /nfs/dbraw/zinc/45/19/16/806451916.db2.gz SXBKFYYHBPTCLX-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCC(F)(F)CC1)C2 ZINC001254567843 806452492 /nfs/dbraw/zinc/45/24/92/806452492.db2.gz PJHJAASLWIOXCU-ZDUSSCGKSA-N 1 0 296.317 3.230 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254567476 806452796 /nfs/dbraw/zinc/45/27/96/806452796.db2.gz ONNHYBZJYSQFLL-MFKMUULPSA-N 1 0 288.372 3.474 20 5 CGBDRO C[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccc(O)c1 ZINC001254571882 806454120 /nfs/dbraw/zinc/45/41/20/806454120.db2.gz COQJIUQVGWCKKU-XHDPSFHLSA-N 1 0 298.342 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC[C@@H]3CCC[C@@H]31)C2 ZINC001254575189 806454663 /nfs/dbraw/zinc/45/46/63/806454663.db2.gz PKGCSXSRYGNICC-GQGQLFGLSA-N 1 0 286.375 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCCC13CCC3)C2 ZINC001254596838 806456835 /nfs/dbraw/zinc/45/68/35/806456835.db2.gz GCTGDRZGBQVFKT-HOCLYGCPSA-N 1 0 286.375 3.374 20 5 CGBDRO CC[N@H+](Cc1ccccn1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560269 806450740 /nfs/dbraw/zinc/45/07/40/806450740.db2.gz QYVJVUMPGVOQBV-CQSZACIVSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596731 806457532 /nfs/dbraw/zinc/45/75/32/806457532.db2.gz FUJIEQPLWTWQDF-HZMBPMFUSA-N 1 0 296.317 3.039 20 5 CGBDRO [NH3+][C@H]1CCC[C@H](Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001162401262 806577901 /nfs/dbraw/zinc/57/79/01/806577901.db2.gz KSPPTYGKVDKPDV-XKZLPGLHSA-N 1 0 295.770 3.269 20 5 CGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001162404502 806579033 /nfs/dbraw/zinc/57/90/33/806579033.db2.gz NMSINEWBOONHCD-VXGBXAGGSA-N 1 0 285.347 3.430 20 5 CGBDRO Cc1cc(-n2ccc3cc([C@H](C)[NH3+])ccc32)ncc1[N+](=O)[O-] ZINC001162909309 806683973 /nfs/dbraw/zinc/68/39/73/806683973.db2.gz MASJFNLPEGSMCG-NSHDSACASA-N 1 0 296.330 3.262 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000159442929 799074174 /nfs/dbraw/zinc/07/41/74/799074174.db2.gz VXFDZCARZYWNCU-GFCCVEGCSA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000353629391 799330013 /nfs/dbraw/zinc/33/00/13/799330013.db2.gz FPMDKVQKPOKECS-ZWNOBZJWSA-N 1 0 286.335 3.046 20 5 CGBDRO COC(C)(C)C[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000404332171 799576061 /nfs/dbraw/zinc/57/60/61/799576061.db2.gz AADOXXSHDOVVIR-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000688266382 799744483 /nfs/dbraw/zinc/74/44/83/799744483.db2.gz DGWPSJFOYSZJRH-NSHDSACASA-N 1 0 296.754 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@]23C[C@H]2CCC3)c(F)c1 ZINC000693531354 799812160 /nfs/dbraw/zinc/81/21/60/799812160.db2.gz CQFGGCIAHYBYAZ-RISCZKNCSA-N 1 0 264.300 3.014 20 5 CGBDRO C[C@H]([NH2+]C[C@]12C[C@H]1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000693628246 799814050 /nfs/dbraw/zinc/81/40/50/799814050.db2.gz DUIIYFUJCRGEME-LNSITVRQSA-N 1 0 260.337 3.436 20 5 CGBDRO CC(C)(F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000698194668 799854130 /nfs/dbraw/zinc/85/41/30/799854130.db2.gz JZYUMHNPQWAWKF-UHFFFAOYSA-N 1 0 274.723 3.476 20 5 CGBDRO CSC1CC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000708287803 799984752 /nfs/dbraw/zinc/98/47/52/799984752.db2.gz FUIGTXJKVFRUMR-UHFFFAOYSA-N 1 0 286.784 3.232 20 5 CGBDRO C[NH+](C)C1(C)CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000715534768 800138389 /nfs/dbraw/zinc/13/83/89/800138389.db2.gz XIMPNTNPKANFMD-UHFFFAOYSA-N 1 0 277.368 3.270 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000718669063 800219132 /nfs/dbraw/zinc/21/91/32/800219132.db2.gz CXPHYPWHEQVZGV-GFCCVEGCSA-N 1 0 280.368 3.308 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)C(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000720258817 800254733 /nfs/dbraw/zinc/25/47/33/800254733.db2.gz RBZNWTZUCCVIFU-SMDDNHRTSA-N 1 0 280.368 3.449 20 5 CGBDRO Cc1cc(C[NH3+])nn1-c1nc2ccccc2c2ccccc21 ZINC001163988634 806869082 /nfs/dbraw/zinc/86/90/82/806869082.db2.gz QTMVSUJONDUNJL-UHFFFAOYSA-N 1 0 288.354 3.341 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001167487326 807199838 /nfs/dbraw/zinc/19/98/38/807199838.db2.gz KBWHIPALFRCCDF-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)[NH+]1CC(Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001168316027 807380869 /nfs/dbraw/zinc/38/08/69/807380869.db2.gz SNKPOUGLGMSRQL-AATRIKPKSA-N 1 0 295.770 3.092 20 5 CGBDRO Cc1ccc(Cl)cc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968234 807543557 /nfs/dbraw/zinc/54/35/57/807543557.db2.gz XTCDJLIOSPWGDU-FZMZJTMJSA-N 1 0 282.771 3.183 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168972877 807544243 /nfs/dbraw/zinc/54/42/43/807544243.db2.gz BWZQFIRYLNTICU-HCKVZZMMSA-N 1 0 298.333 3.451 20 5 CGBDRO Cc1ccc(C(C)(C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977235 807544772 /nfs/dbraw/zinc/54/47/72/807544772.db2.gz IZIHSGLHNQGQKY-ZFWWWQNUSA-N 1 0 276.380 3.265 20 5 CGBDRO CCCc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977177 807545154 /nfs/dbraw/zinc/54/51/54/807545154.db2.gz IWBLIXFUDSUUCT-HZPDHXFCSA-N 1 0 276.380 3.174 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC001168975817 807545283 /nfs/dbraw/zinc/54/52/83/807545283.db2.gz XHYZHTDGIOBNKS-VXGBXAGGSA-N 1 0 294.782 3.364 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168979050 807545887 /nfs/dbraw/zinc/54/58/87/807545887.db2.gz WNVVBIPLMXNBAZ-VNQPRFMTSA-N 1 0 276.380 3.419 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC001168978966 807545953 /nfs/dbraw/zinc/54/59/53/807545953.db2.gz VWNGNPKWRADQNY-TZMCWYRMSA-N 1 0 290.388 3.436 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCc2ccc3ccccc3c2)C1 ZINC001168979741 807545979 /nfs/dbraw/zinc/54/59/79/807545979.db2.gz ZRZXOKZOSQHMAZ-YJBOKZPZSA-N 1 0 298.386 3.417 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001168979525 807545991 /nfs/dbraw/zinc/54/59/91/807545991.db2.gz YZVCCTINBYLYPD-DUVNUKRYSA-N 1 0 274.364 3.017 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001168988289 807547831 /nfs/dbraw/zinc/54/78/31/807547831.db2.gz QJZVGKXYMIIRHN-HBNTYKKESA-N 1 0 284.306 3.061 20 5 CGBDRO C[C@H]([NH3+])c1cn([C@H]2CC[C@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169001164 807548761 /nfs/dbraw/zinc/54/87/61/807548761.db2.gz DCUHGORPWAXLBE-AVGNSLFASA-N 1 0 287.363 3.279 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccccc3F)CCC2)C1 ZINC001168996028 807548773 /nfs/dbraw/zinc/54/87/73/807548773.db2.gz UGSWAJPBLRVQPG-QWHCGFSZSA-N 1 0 292.354 3.240 20 5 CGBDRO CCCCCC[C@@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169005418 807549984 /nfs/dbraw/zinc/54/99/84/807549984.db2.gz UDLMGARAMHJRTP-RDBSUJKOSA-N 1 0 256.390 3.380 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001169003532 807550832 /nfs/dbraw/zinc/55/08/32/807550832.db2.gz NWXJVEJBZQZPRZ-FVQBIDKESA-N 1 0 276.380 3.481 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CC2 ZINC001169006787 807551784 /nfs/dbraw/zinc/55/17/84/807551784.db2.gz YZVCCTINBYLYPD-NOLJZWGESA-N 1 0 274.364 3.017 20 5 CGBDRO C[N@H+](CCc1cccc(Cl)c1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036443 807555557 /nfs/dbraw/zinc/55/55/57/807555557.db2.gz OLKJUNZEJPYAMN-UKRRQHHQSA-N 1 0 296.798 3.260 20 5 CGBDRO CC[C@@H]1c2ccccc2CC[N@@H+]1[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036872 807555602 /nfs/dbraw/zinc/55/56/02/807555602.db2.gz HSWMJVDSRJYGMV-UKPHBRMFSA-N 1 0 288.391 3.441 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036401 807555850 /nfs/dbraw/zinc/55/58/50/807555850.db2.gz OBXZNSBUYPYZKQ-IAQYHMDHSA-N 1 0 294.782 3.144 20 5 CGBDRO C[N@H+](Cc1cccc2cccnc21)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169036491 807555935 /nfs/dbraw/zinc/55/59/35/807555935.db2.gz OTDWFTBCQFJDDF-CJNGLKHVSA-N 1 0 299.374 3.112 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CCC2)C1 ZINC001169040928 807556791 /nfs/dbraw/zinc/55/67/91/807556791.db2.gz ADORUNPJPWWAHJ-RDJZCZTQSA-N 1 0 288.391 3.487 20 5 CGBDRO COc1ccccc1[C@H](C)[N@H+](C)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040225 807557181 /nfs/dbraw/zinc/55/71/81/807557181.db2.gz YYXRHIZATBCQMR-BFHYXJOUSA-N 1 0 292.379 3.133 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3ccc(Cl)cc3C2)C1 ZINC001169039866 807557852 /nfs/dbraw/zinc/55/78/52/807557852.db2.gz VDBCCZGXGPWCEN-HZMBPMFUSA-N 1 0 280.755 3.101 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH+]2CCCCCC2)c([N+](=O)[O-])c1 ZINC001170326875 807825643 /nfs/dbraw/zinc/82/56/43/807825643.db2.gz CBDMRPNNSGTLSE-CYBMUJFWSA-N 1 0 292.379 3.410 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170413564 807837508 /nfs/dbraw/zinc/83/75/08/807837508.db2.gz XPHLRCPZOUHTOT-AWEZNQCLSA-N 1 0 262.353 3.430 20 5 CGBDRO CCC(CC)[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC001170756911 807898390 /nfs/dbraw/zinc/89/83/90/807898390.db2.gz QGEJFCSIVOZQJN-UHFFFAOYSA-N 1 0 280.368 3.484 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCOC[C@H]1C ZINC001170817727 807914435 /nfs/dbraw/zinc/91/44/35/807914435.db2.gz JQJGFMQMZVOJBC-GDBMZVCRSA-N 1 0 277.432 3.120 20 5 CGBDRO C[C@@H]([NH3+])CCNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001170891153 807927421 /nfs/dbraw/zinc/92/74/21/807927421.db2.gz ULUBJXGSEBKNOH-GFCCVEGCSA-N 1 0 285.347 3.411 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CC(F)(F)C1)CC2 ZINC001172896222 808474623 /nfs/dbraw/zinc/47/46/23/808474623.db2.gz NJEOITNSKPITBV-LBPRGKRZSA-N 1 0 296.317 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1C3CCC1CC3)CC2 ZINC001172913213 808477957 /nfs/dbraw/zinc/47/79/57/808477957.db2.gz QFTRQUGGXZYRAD-QQFBHYJXSA-N 1 0 286.375 3.469 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CC2(C)CC2)c1F ZINC001173174877 808532104 /nfs/dbraw/zinc/53/21/04/808532104.db2.gz FDRLLKGUEAYRNH-JTQLQIEISA-N 1 0 296.342 3.063 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2CCC2)c1F ZINC001173174664 808532297 /nfs/dbraw/zinc/53/22/97/808532297.db2.gz AISLEQOTLNLZTF-SNVBAGLBSA-N 1 0 296.342 3.063 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CCC[C@@H]2C)c1F ZINC001173187136 808533140 /nfs/dbraw/zinc/53/31/40/808533140.db2.gz XTRGFSDMCIKJHG-WDEREUQCSA-N 1 0 296.342 3.158 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CC(C)(C)C1 ZINC001173215960 808538728 /nfs/dbraw/zinc/53/87/28/808538728.db2.gz BFPKFJJWFXSFMK-LLVKDONJSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@](C)(F)C1 ZINC001173220646 808539592 /nfs/dbraw/zinc/53/95/92/808539592.db2.gz BOTKHCGLXSNOIM-SWLSCSKDSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1ccc(N)cc1 ZINC001173220055 808539779 /nfs/dbraw/zinc/53/97/79/808539779.db2.gz SJINMIQMZPZHLK-QWHCGFSZSA-N 1 0 299.374 3.459 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCC(F)(F)F ZINC001173219861 808539790 /nfs/dbraw/zinc/53/97/90/808539790.db2.gz PVXSHEHVWJYBJG-SNVBAGLBSA-N 1 0 290.285 3.458 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228406 808541989 /nfs/dbraw/zinc/54/19/89/808541989.db2.gz WFQOFCXTNRPPDV-JSGCOSHPSA-N 1 0 262.353 3.400 20 5 CGBDRO C[NH2+]Cc1cccc(N[C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173235680 808544588 /nfs/dbraw/zinc/54/45/88/808544588.db2.gz YMPABUFEHIJJPZ-CYBMUJFWSA-N 1 0 299.374 3.357 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173237736 808545878 /nfs/dbraw/zinc/54/58/78/808545878.db2.gz LSEIUIGXFBJRRD-WOSRLPQWSA-N 1 0 292.379 3.025 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(CCF)CC2)c1 ZINC001175184663 809301897 /nfs/dbraw/zinc/30/18/97/809301897.db2.gz QOSWZGKTMRAOFY-UHFFFAOYSA-N 1 0 296.342 3.045 20 5 CGBDRO C[C@H]1C[C@@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001177267051 809790416 /nfs/dbraw/zinc/79/04/16/809790416.db2.gz HKVSFRJNGLOPPA-DTWKUNHWSA-N 1 0 299.168 3.103 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1[N+](=O)[O-] ZINC001179386367 809918689 /nfs/dbraw/zinc/91/86/89/809918689.db2.gz LOCANWQOFUXQEO-UHFFFAOYSA-N 1 0 297.314 3.334 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185204812 810245353 /nfs/dbraw/zinc/24/53/53/810245353.db2.gz SOYDXFYZLZSDSM-VIFPVBQESA-N 1 0 271.386 3.107 20 5 CGBDRO Cc1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])c1 ZINC001187242823 810391769 /nfs/dbraw/zinc/39/17/69/810391769.db2.gz OVWZGTBGVRSLBL-AWEZNQCLSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001193594298 810914023 /nfs/dbraw/zinc/91/40/23/810914023.db2.gz SAXYWSSCVGZDPT-DVOMOZLQSA-N 1 0 292.379 3.388 20 5 CGBDRO CCC1(CC)[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H]1OC ZINC001194091991 811013628 /nfs/dbraw/zinc/01/36/28/811013628.db2.gz NSVOEQWUTRZSIB-HUUCEWRRSA-N 1 0 292.379 3.278 20 5 CGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC001198414577 811499140 /nfs/dbraw/zinc/49/91/40/811499140.db2.gz YJOYSZSSGXEXQM-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(F)F ZINC001204048285 812533814 /nfs/dbraw/zinc/53/38/14/812533814.db2.gz QKUYNZHHRWFXQV-JXMROGBWSA-N 1 0 270.279 3.243 20 5 CGBDRO Cc1cc(Nc2cccc([N+](=O)[O-])c2)n(-c2cc[nH+]cc2)n1 ZINC001204449554 812642295 /nfs/dbraw/zinc/64/22/95/812642295.db2.gz ALGSDISDAIDVRP-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO CN(CC[NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001204699607 812711575 /nfs/dbraw/zinc/71/15/75/812711575.db2.gz OYVKTMOEHROLQK-UHFFFAOYSA-N 1 0 264.372 3.384 20 5 CGBDRO c1ccc2c(c1)nc(O[C@@H]1CC[NH2+]C1)c1ccccc21 ZINC001218038095 816069259 /nfs/dbraw/zinc/06/92/59/816069259.db2.gz FHYIKFCBYCWXBY-GFCCVEGCSA-N 1 0 264.328 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CC[NH2+]C3)c2)c1 ZINC001218038453 816069818 /nfs/dbraw/zinc/06/98/18/816069818.db2.gz JEOMPJZIBFXAEK-MRXNPFEDSA-N 1 0 284.315 3.003 20 5 CGBDRO O=[N+]([O-])c1ccc(/C=C/c2ccc(OC3C[NH2+]C3)cc2)cc1 ZINC001218052266 816075937 /nfs/dbraw/zinc/07/59/37/816075937.db2.gz GGCKGMLFNVYDDF-OWOJBTEDSA-N 1 0 296.326 3.116 20 5 CGBDRO C[C@@H]1C[C@H](Oc2cccc3nc4ccccc4nc32)CC[NH2+]1 ZINC001218055016 816078207 /nfs/dbraw/zinc/07/82/07/816078207.db2.gz GVEKRGZNEYVNMM-CHWSQXEVSA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+][C@H](C)C1 ZINC001218056825 816078461 /nfs/dbraw/zinc/07/84/61/816078461.db2.gz PKTYTMYEZXRCQE-ZJUUUORDSA-N 1 0 284.743 3.076 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2CCC23CC[NH2+]CC3)c1 ZINC001218082074 816089217 /nfs/dbraw/zinc/08/92/17/816089217.db2.gz WWFKNAAFQMLBTL-ZDUSSCGKSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218099991 816099372 /nfs/dbraw/zinc/09/93/72/816099372.db2.gz ZJEMEFDELNOZMX-UONOGXRCSA-N 1 0 296.754 3.159 20 5 CGBDRO C[C@H](Oc1nc2ccccc2c2ccccc21)C1C[NH2+]C1 ZINC001218197079 816123509 /nfs/dbraw/zinc/12/35/09/816123509.db2.gz XGIAZVLDOLCUFR-LBPRGKRZSA-N 1 0 278.355 3.375 20 5 CGBDRO c1ccc2c(c1)nc(O[C@@H]1C=CC[NH2+]C1)c1ccccc21 ZINC001218330558 816169946 /nfs/dbraw/zinc/16/99/46/816169946.db2.gz GUPJGXKOTBSABI-CYBMUJFWSA-N 1 0 276.339 3.295 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@@H]2C=CC[NH2+]C2)cc1 ZINC001218334988 816171243 /nfs/dbraw/zinc/17/12/43/816171243.db2.gz SHXFEYQVMAMDAM-OAHLLOKOSA-N 1 0 296.326 3.169 20 5 CGBDRO C[C@@H](Oc1cccc2c1C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218344478 816172902 /nfs/dbraw/zinc/17/29/02/816172902.db2.gz YGODXCBAEVYNKL-LLVKDONJSA-N 1 0 284.315 3.338 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218485476 816240294 /nfs/dbraw/zinc/24/02/94/816240294.db2.gz CHAZGUKSCJXSIY-MRXNPFEDSA-N 1 0 298.342 3.435 20 5 CGBDRO C[C@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430718 816630078 /nfs/dbraw/zinc/63/00/78/816630078.db2.gz PQNSHFNGDFYPJW-YYWXWVFPSA-N 1 0 290.363 3.298 20 5 CGBDRO CCOC(=O)CCCCCCCO[C@H](C)C[N+](C)(C)C ZINC001224372720 816788595 /nfs/dbraw/zinc/78/85/95/816788595.db2.gz SPXIRXUJEYYLQK-OAHLLOKOSA-N 1 0 288.452 3.001 20 5 CGBDRO Cc1ccc(OC(C)C)c(COCCC[N+](C)(C)C)c1 ZINC001224622639 816834296 /nfs/dbraw/zinc/83/42/96/816834296.db2.gz ILOYPWQPASCVLU-UHFFFAOYSA-N 1 0 280.432 3.395 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1ccccc1Br ZINC001224775962 816879312 /nfs/dbraw/zinc/87/93/12/816879312.db2.gz QHDRASAXBOLPAY-NSHDSACASA-N 1 0 287.221 3.233 20 5 CGBDRO C[N+](C)(C)CCO[C@@H]1CCc2cc(Cl)ccc21 ZINC001224775713 816879937 /nfs/dbraw/zinc/87/99/37/816879937.db2.gz NKXWTDIRYRFHMZ-CQSZACIVSA-N 1 0 254.781 3.050 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(C(F)(F)F)c1 ZINC001225601473 817108695 /nfs/dbraw/zinc/10/86/95/817108695.db2.gz CXZUGWVIKDSIEQ-SECBINFHSA-N 1 0 280.285 3.318 20 5 CGBDRO Cc1cccc(OC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001225632779 817121134 /nfs/dbraw/zinc/12/11/34/817121134.db2.gz OBNCHWONKONWFQ-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(C(F)(F)F)cc1Cl ZINC001225863976 817197705 /nfs/dbraw/zinc/19/77/05/817197705.db2.gz SKDXIYIHMJSGLV-MRVPVSSYSA-N 1 0 297.728 3.227 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(OC(C)(C)C)cc1 ZINC001225975732 817236075 /nfs/dbraw/zinc/23/60/75/817236075.db2.gz UJXUHJNJHZTSTC-ZDUSSCGKSA-N 1 0 266.405 3.337 20 5 CGBDRO CCc1cccc(CC)c1O[C@H](C)C[N+](C)(C)C ZINC001226176667 817291681 /nfs/dbraw/zinc/29/16/81/817291681.db2.gz FXORRVDYIIVWPM-CYBMUJFWSA-N 1 0 250.406 3.285 20 5 CGBDRO CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226762572 817456864 /nfs/dbraw/zinc/45/68/64/817456864.db2.gz VSJGPVXLNJTNGR-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1)C2 ZINC001226763440 817457677 /nfs/dbraw/zinc/45/76/77/817457677.db2.gz TZGYMFMLMOUWJR-VIKVFOODSA-N 1 0 290.363 3.377 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001226989820 817527320 /nfs/dbraw/zinc/52/73/20/817527320.db2.gz OQQKVPNWZMLAAM-LLVKDONJSA-N 1 0 298.770 3.418 20 5 CGBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)cc1Cl ZINC001227905492 817750344 /nfs/dbraw/zinc/75/03/44/817750344.db2.gz AMXIYJYQAIZCAZ-SNVBAGLBSA-N 1 0 270.780 3.016 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl ZINC001228151402 817825601 /nfs/dbraw/zinc/82/56/01/817825601.db2.gz GGVVQKCHNYATRQ-ZETCQYMHSA-N 1 0 293.150 3.231 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1c(C)cc([N+](=O)[O-])cc1C ZINC001228572371 817942561 /nfs/dbraw/zinc/94/25/61/817942561.db2.gz ZPMNOJHCASUZFI-ZDUSSCGKSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1c(Cl)ccc(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234223459 818806584 /nfs/dbraw/zinc/80/65/84/818806584.db2.gz NUEFEUNCVBDTAV-VIFPVBQESA-N 1 0 260.760 3.261 20 5 CGBDRO CSc1cc(F)cc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234295958 818830375 /nfs/dbraw/zinc/83/03/75/818830375.db2.gz TVVWXXQSZZKNRH-SNVBAGLBSA-N 1 0 258.382 3.021 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(Cl)c1F ZINC001234315294 818835565 /nfs/dbraw/zinc/83/55/65/818835565.db2.gz PEBFMLSBEXZRTJ-MRVPVSSYSA-N 1 0 264.723 3.092 20 5 CGBDRO Cc1cc2cccnc2c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234612581 818891592 /nfs/dbraw/zinc/89/15/92/818891592.db2.gz KHQYBFRHRFLJIN-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC001354461385 937102750 /nfs/dbraw/zinc/10/27/50/937102750.db2.gz JLNQAKOZBGYSGY-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2sccc2c1 ZINC001229122869 927322355 /nfs/dbraw/zinc/32/23/55/927322355.db2.gz TVGKGFVYAWHEQK-NSHDSACASA-N 1 0 250.387 3.375 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950408 937507984 /nfs/dbraw/zinc/50/79/84/937507984.db2.gz OGWTXXKVPALVBC-CJNGLKHVSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC001459983899 937509454 /nfs/dbraw/zinc/50/94/54/937509454.db2.gz LVMSSBBQJGLLOE-GHMZBOCLSA-N 1 0 288.351 3.092 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC001461567612 937586320 /nfs/dbraw/zinc/58/63/20/937586320.db2.gz SBSXUAHYMOJCIL-OKILXGFUSA-N 1 0 292.379 3.257 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(O[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC001229895882 932500674 /nfs/dbraw/zinc/50/06/74/932500674.db2.gz WKSIAZWHKRYSSS-LBPRGKRZSA-N 1 0 296.342 3.294 20 5 CGBDRO CC[C@](C)(C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1)OC ZINC001461874367 937603157 /nfs/dbraw/zinc/60/31/57/937603157.db2.gz XUZGOACBXHJEQP-MRXNPFEDSA-N 1 0 292.379 3.374 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC001229964014 932511170 /nfs/dbraw/zinc/51/11/70/932511170.db2.gz NGKYQKTWWXAHQW-XYPYZODXSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc(O[C@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])cc1Cl ZINC001229974739 932513803 /nfs/dbraw/zinc/51/38/03/932513803.db2.gz IFGYNXXYMWTMLC-NSHDSACASA-N 1 0 298.770 3.418 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CCC([NH+](C)C)CC1 ZINC001231059927 932668557 /nfs/dbraw/zinc/66/85/57/932668557.db2.gz LWWGNWSYSABNBW-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO CC[NH+]1CCC(Oc2c(C)ccc(C)c2[N+](=O)[O-])CC1 ZINC001231059359 932668591 /nfs/dbraw/zinc/66/85/91/932668591.db2.gz HAKROPVGSKTDHD-UHFFFAOYSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001231059041 932668768 /nfs/dbraw/zinc/66/87/68/932668768.db2.gz FRNWHVDADKPGHU-WDNDVIMCSA-N 1 0 290.363 3.216 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001231059916 932669108 /nfs/dbraw/zinc/66/91/08/932669108.db2.gz LWWGNWSYSABNBW-HDJSIYSDSA-N 1 0 292.379 3.463 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC001462286239 937629527 /nfs/dbraw/zinc/62/95/27/937629527.db2.gz WLGFYURGMNSPMR-DOMZBBRYSA-N 1 0 294.395 3.481 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001307845797 933008405 /nfs/dbraw/zinc/00/84/05/933008405.db2.gz UIELVFBVRLXRSM-CYBMUJFWSA-N 1 0 290.363 3.225 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001472712220 937781003 /nfs/dbraw/zinc/78/10/03/937781003.db2.gz CISBPPYNZDKBRX-LBPRGKRZSA-N 1 0 295.408 3.333 20 5 CGBDRO C[C@H](NC/C=C\C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276887 935456226 /nfs/dbraw/zinc/45/62/26/935456226.db2.gz IQZFTQQFQZZSKG-XOULXFPDSA-N 1 0 264.300 3.351 20 5 CGBDRO C[N@H+](CCCC(F)(F)F)Cc1ccccc1[N+](=O)[O-] ZINC001334872900 936119764 /nfs/dbraw/zinc/11/97/64/936119764.db2.gz NJEMKPPMJHSTTA-UHFFFAOYSA-N 1 0 276.258 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C\c1ccccc1 ZINC001474131467 937841385 /nfs/dbraw/zinc/84/13/85/937841385.db2.gz JUXCLILWMDUFIX-TWGQIWQCSA-N 1 0 282.343 3.440 20 5 CGBDRO Cc1ccc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001559069013 938219754 /nfs/dbraw/zinc/21/97/54/938219754.db2.gz XGVGGQGKWYQFGV-KGLIPLIRSA-N 1 0 291.395 3.436 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1cc(C)ccc1[N+](=O)[O-] ZINC001559104047 938220436 /nfs/dbraw/zinc/22/04/36/938220436.db2.gz ZZDYMDOIFYETFB-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccccc1[N+](=O)[O-] ZINC001559236798 938223114 /nfs/dbraw/zinc/22/31/14/938223114.db2.gz SVMCSKUXAJSEQY-ZDUSSCGKSA-N 1 0 277.368 3.127 20 5 CGBDRO CC(C)([NH3+])CNc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001575357731 962363213 /nfs/dbraw/zinc/36/32/13/962363213.db2.gz GJPUOEQOXUSOFT-UHFFFAOYSA-N 1 0 278.139 3.051 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001579733957 962664014 /nfs/dbraw/zinc/66/40/14/962664014.db2.gz GUUMNQOEXVBCTE-KCPJHIHWSA-N 1 0 289.379 3.092 20 5 CGBDRO COCC[C@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(C)C ZINC000337952589 214329045 /nfs/dbraw/zinc/32/90/45/214329045.db2.gz YKPGLQZKAWJLJA-NSHDSACASA-N 1 0 286.397 3.197 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000125535235 187189899 /nfs/dbraw/zinc/18/98/99/187189899.db2.gz XFNYPBCYCDBAJL-QGZVFWFLSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062230 346898368 /nfs/dbraw/zinc/89/83/68/346898368.db2.gz YIJSETVZPOVTGP-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO CC[C@@H](F)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000440603209 529553500 /nfs/dbraw/zinc/55/35/00/529553500.db2.gz YEIZVRXRYBCTDJ-YPMHNXCESA-N 1 0 254.305 3.384 20 5 CGBDRO CCc1cc(NCc2cccc([N+](=O)[O-])c2C)cc[nH+]1 ZINC000307767777 529558856 /nfs/dbraw/zinc/55/88/56/529558856.db2.gz IVNHVMUHICMPTG-UHFFFAOYSA-N 1 0 271.320 3.473 20 5 CGBDRO COCC[C@@H](C)[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451546332 536768815 /nfs/dbraw/zinc/76/88/15/536768815.db2.gz IVKSXCMJNNHSQM-UKRRQHHQSA-N 1 0 292.379 3.199 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414293388 529667350 /nfs/dbraw/zinc/66/73/50/529667350.db2.gz MLXMFUFQTCDZAN-UGFHNGPFSA-N 1 0 280.368 3.041 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000126424205 187238907 /nfs/dbraw/zinc/23/89/07/187238907.db2.gz DDJFUGGZEYASNI-GFCCVEGCSA-N 1 0 282.409 3.211 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(CF)CC1 ZINC000295039680 199314162 /nfs/dbraw/zinc/31/41/62/199314162.db2.gz MMFHXTVELJJMAM-UHFFFAOYSA-N 1 0 266.316 3.085 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000295044786 199317335 /nfs/dbraw/zinc/31/73/35/199317335.db2.gz AFJZKFOGACLHQO-HKCMKHECSA-N 1 0 278.352 3.201 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCS[C@@H]1C ZINC000592401595 346985260 /nfs/dbraw/zinc/98/52/60/346985260.db2.gz ZFMOPZRDCWPRFG-MISXGVKJSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1CNc1[nH+]ccn1CC(C)C ZINC000351568523 219129822 /nfs/dbraw/zinc/12/98/22/219129822.db2.gz NRTULTZEOBACRC-UHFFFAOYSA-N 1 0 288.351 3.368 20 5 CGBDRO Cc1c(C[N@@H+]2CCC23CCCC3)cccc1[N+](=O)[O-] ZINC000593037792 347029971 /nfs/dbraw/zinc/02/99/71/347029971.db2.gz DRRZQPRKPFSTNK-UHFFFAOYSA-N 1 0 260.337 3.422 20 5 CGBDRO COc1cc(C[NH2+]C2(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000593080642 347036572 /nfs/dbraw/zinc/03/65/72/347036572.db2.gz KLLRYJMOSBMYNB-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO CC[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@@H](CC)CO1 ZINC000593058785 347033589 /nfs/dbraw/zinc/03/35/89/347033589.db2.gz OMNSQQCAZBLXAQ-HOCLYGCPSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH+](C)CC1 ZINC000036971407 344946276 /nfs/dbraw/zinc/94/62/76/344946276.db2.gz XUCSBEHXMSYXOF-SNVBAGLBSA-N 1 0 297.786 3.390 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000050507897 345083337 /nfs/dbraw/zinc/08/33/37/345083337.db2.gz ZEIXJGHVSAQWSB-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)c1ccccc1 ZINC000051121686 345087085 /nfs/dbraw/zinc/08/70/85/345087085.db2.gz HJOWDFBSBCVODU-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO CCCC[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000051281220 345088414 /nfs/dbraw/zinc/08/84/14/345088414.db2.gz IDOTXFOBUVUJRO-UHFFFAOYSA-N 1 0 266.341 3.096 20 5 CGBDRO Cc1csc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000063132695 345243091 /nfs/dbraw/zinc/24/30/91/345243091.db2.gz LXQWITSWOUUNMZ-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000066371798 345290930 /nfs/dbraw/zinc/29/09/30/345290930.db2.gz IRSCKKOWABXVJS-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000075895111 345526496 /nfs/dbraw/zinc/52/64/96/345526496.db2.gz JYMQABNGUIKVOA-UTUOFQBUSA-N 1 0 280.393 3.482 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000075893526 345526782 /nfs/dbraw/zinc/52/67/82/345526782.db2.gz WXQHXSMSWSMVTC-UTUOFQBUSA-N 1 0 280.393 3.482 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910036 345796960 /nfs/dbraw/zinc/79/69/60/345796960.db2.gz XJONSFFTWCONSF-VXGBXAGGSA-N 1 0 250.342 3.162 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCc3ccccc3CC2)c1 ZINC000116300238 345977037 /nfs/dbraw/zinc/97/70/37/345977037.db2.gz NXNOUVKEPTWBHL-UHFFFAOYSA-N 1 0 282.343 3.196 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000124293534 346012208 /nfs/dbraw/zinc/01/22/08/346012208.db2.gz AULAVKJWUHUBKP-QEJZJMRPSA-N 1 0 292.379 3.369 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)C(C)(C)C ZINC000125430107 346016651 /nfs/dbraw/zinc/01/66/51/346016651.db2.gz HBPMVPJNCWBNBD-NSHDSACASA-N 1 0 280.368 3.375 20 5 CGBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000155656128 346154638 /nfs/dbraw/zinc/15/46/38/346154638.db2.gz IWIFSTGDRVGISW-CQSZACIVSA-N 1 0 280.393 3.013 20 5 CGBDRO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000157966599 346163226 /nfs/dbraw/zinc/16/32/26/346163226.db2.gz WVCINIVPKURVCH-CYBMUJFWSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)(C)O ZINC000295124504 199357869 /nfs/dbraw/zinc/35/78/69/199357869.db2.gz ZBBHJAFZJWLPKK-SMDDNHRTSA-N 1 0 280.368 3.103 20 5 CGBDRO CC[C@H]([NH2+]CC1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000227657200 346310996 /nfs/dbraw/zinc/31/09/96/346310996.db2.gz LZNKXZMSMQTJFR-MOQPWLNLSA-N 1 0 292.379 3.187 20 5 CGBDRO CSCC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000237505508 346346001 /nfs/dbraw/zinc/34/60/01/346346001.db2.gz AZNFPCPYJJKODH-UHFFFAOYSA-N 1 0 268.382 3.171 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)c(F)c1 ZINC000403381146 346596812 /nfs/dbraw/zinc/59/68/12/346596812.db2.gz QFJITHZHBXTOCO-YUSALJHKSA-N 1 0 264.300 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000588978117 346779507 /nfs/dbraw/zinc/77/95/07/346779507.db2.gz SBKRGQAXIXKRNB-OAHLLOKOSA-N 1 0 274.364 3.259 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000589350907 346794978 /nfs/dbraw/zinc/79/49/78/346794978.db2.gz BQXFTRHYUVJUAO-BLLLJJGKSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594603396 347201204 /nfs/dbraw/zinc/20/12/04/347201204.db2.gz UXGZJYZMVASBDK-GHMZBOCLSA-N 1 0 281.381 3.085 20 5 CGBDRO CC[NH+](CC)CCSCc1ccc(F)cc1[N+](=O)[O-] ZINC000594889176 347220137 /nfs/dbraw/zinc/22/01/37/347220137.db2.gz DLLKCELKPMEKAZ-UHFFFAOYSA-N 1 0 286.372 3.309 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1C[C@]1(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000595108462 347284962 /nfs/dbraw/zinc/28/49/62/347284962.db2.gz QFMUGPNTDDIFLS-ZNMIVQPWSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1noc(C[N@H+]2CCC[C@H](C(C)C)CC2)c1[N+](=O)[O-] ZINC000595325766 347291692 /nfs/dbraw/zinc/29/16/92/347291692.db2.gz WQJNJYVZVIKCNN-LBPRGKRZSA-N 1 0 281.356 3.149 20 5 CGBDRO Cc1noc(C[N@@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595327994 347291948 /nfs/dbraw/zinc/29/19/48/347291948.db2.gz TXSFNASOSCXONP-JLLWLGSASA-N 1 0 279.340 3.044 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000595327978 347292195 /nfs/dbraw/zinc/29/21/95/347292195.db2.gz SWATYHCNEJFCJZ-FZMZJTMJSA-N 1 0 278.327 3.498 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595341008 347293777 /nfs/dbraw/zinc/29/37/77/347293777.db2.gz ZYLVNLGZELEHPN-AOOOYVTPSA-N 1 0 252.289 3.107 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC1(C)C ZINC000595023401 347260255 /nfs/dbraw/zinc/26/02/55/347260255.db2.gz QPBMWQBTNRUELX-TVQRCGJNSA-N 1 0 264.325 3.053 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595026726 347261019 /nfs/dbraw/zinc/26/10/19/347261019.db2.gz OPGNHYDDTXWRCB-WDEREUQCSA-N 1 0 298.408 3.396 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595026720 347261150 /nfs/dbraw/zinc/26/11/50/347261150.db2.gz OPGNHYDDTXWRCB-GHMZBOCLSA-N 1 0 298.408 3.396 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCSCC1 ZINC000595025785 347261206 /nfs/dbraw/zinc/26/12/06/347261206.db2.gz NGUNQLGFFCWSNH-CYBMUJFWSA-N 1 0 280.393 3.013 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000595099908 347283606 /nfs/dbraw/zinc/28/36/06/347283606.db2.gz GNBPIDXFAJXQHS-BONVTDFDSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1cc(C(=O)OC)ccc1[N+](=O)[O-] ZINC000595601580 347324358 /nfs/dbraw/zinc/32/43/58/347324358.db2.gz SNNDUEUMMGRORC-NSHDSACASA-N 1 0 294.351 3.002 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](CCF)C2)c1 ZINC000595755128 347350160 /nfs/dbraw/zinc/35/01/60/347350160.db2.gz GXAQPGBBJKUILR-ZDUSSCGKSA-N 1 0 296.342 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](CCF)C2)c(F)c1 ZINC000595755567 347351602 /nfs/dbraw/zinc/35/16/02/347351602.db2.gz OCTXKHQSTMKQTG-NSHDSACASA-N 1 0 284.306 3.306 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595781951 347354900 /nfs/dbraw/zinc/35/49/00/347354900.db2.gz WZWSHPRJOKVGAF-HZSPNIEDSA-N 1 0 292.379 3.464 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2CCC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595441183 347303926 /nfs/dbraw/zinc/30/39/26/347303926.db2.gz USNHUDZWJJUERB-MWLCHTKSSA-N 1 0 281.356 3.196 20 5 CGBDRO CCC[C@@H]1CCCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595441285 347304493 /nfs/dbraw/zinc/30/44/93/347304493.db2.gz WLJNTKIQDFPCGH-NEPJUHHUSA-N 1 0 281.356 3.340 20 5 CGBDRO CC(C)([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000595511213 347313651 /nfs/dbraw/zinc/31/36/51/347313651.db2.gz PJVYVYPGBRHQEP-CLLJXQQHSA-N 1 0 274.364 3.466 20 5 CGBDRO CO[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595510673 347313757 /nfs/dbraw/zinc/31/37/57/347313757.db2.gz MPVQGDUJGZNHHB-OAHLLOKOSA-N 1 0 292.379 3.235 20 5 CGBDRO CC(C)CC1([NH2+]CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000595831942 347362646 /nfs/dbraw/zinc/36/26/46/347362646.db2.gz AANDEJRGQPLLKK-UHFFFAOYSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1cc(NC2CC[NH+](CC(C)C)CC2)c([N+](=O)[O-])s1 ZINC000596066227 347379102 /nfs/dbraw/zinc/37/91/02/347379102.db2.gz ADNROVUFEQUNHM-UHFFFAOYSA-N 1 0 297.424 3.497 20 5 CGBDRO Cc1cc(NC2CCC(C[NH+](C)C)CC2)c([N+](=O)[O-])s1 ZINC000596172603 347393844 /nfs/dbraw/zinc/39/38/44/347393844.db2.gz WBZUQWBBDGVPNA-UHFFFAOYSA-N 1 0 297.424 3.497 20 5 CGBDRO O=[N+]([O-])c1ccsc1NCC1CC[NH+](CC2CC2)CC1 ZINC000596564489 347480075 /nfs/dbraw/zinc/48/00/75/347480075.db2.gz ZTGOYOSFBHMZNZ-UHFFFAOYSA-N 1 0 295.408 3.190 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597059108 347532418 /nfs/dbraw/zinc/53/24/18/347532418.db2.gz FHAZTWJDFBLETM-BPUTZDHNSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CC1(F)F ZINC000598645991 347674686 /nfs/dbraw/zinc/67/46/86/347674686.db2.gz BKEKDKQOOJBCEF-FHMRSRPSSA-N 1 0 282.290 3.243 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CC1(F)F ZINC000598645994 347674961 /nfs/dbraw/zinc/67/49/61/347674961.db2.gz BKEKDKQOOJBCEF-PYEVWLCESA-N 1 0 282.290 3.243 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598650009 347675480 /nfs/dbraw/zinc/67/54/80/347675480.db2.gz WYVQTWRSCKXWGE-NSHDSACASA-N 1 0 270.279 3.038 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@H]1CCCOC1 ZINC000598984829 347703799 /nfs/dbraw/zinc/70/37/99/347703799.db2.gz CRUZKQLAOWTWKB-NMNMAYGDSA-N 1 0 290.363 3.014 20 5 CGBDRO CC1(C)CCC[C@@](CO)([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000598994565 347705096 /nfs/dbraw/zinc/70/50/96/347705096.db2.gz BCRQKWSOYVTJLG-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO COc1ccc(C[NH2+]CC[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000599001364 347705754 /nfs/dbraw/zinc/70/57/54/347705754.db2.gz RZGPIKYUAGEWBW-CYBMUJFWSA-N 1 0 290.363 3.439 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000599054497 347711587 /nfs/dbraw/zinc/71/15/87/347711587.db2.gz ATYIWJGWDKAYLI-OLZOCXBDSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC[C@@H]1CCCOC1 ZINC000599056644 347712095 /nfs/dbraw/zinc/71/20/95/347712095.db2.gz LILNXCPOEOAIFV-KBPBESRZSA-N 1 0 292.379 3.371 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])OCC ZINC000599058718 347712114 /nfs/dbraw/zinc/71/21/14/347712114.db2.gz FRQQYSSZWGCNRX-SWLSCSKDSA-N 1 0 292.379 3.377 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599057933 347712264 /nfs/dbraw/zinc/71/22/64/347712264.db2.gz CSIOBISNPGQQJO-SWLSCSKDSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CO)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599069503 347714114 /nfs/dbraw/zinc/71/41/14/347714114.db2.gz UBXNRNRVVCAQLO-ZBFHGGJFSA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000600213079 347793970 /nfs/dbraw/zinc/79/39/70/347793970.db2.gz AVPPFPBZEIRWNS-CQSZACIVSA-N 1 0 298.342 3.290 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@@H]1CC[NH2+]C12CCC2 ZINC000600674856 347827734 /nfs/dbraw/zinc/82/77/34/347827734.db2.gz JXXGMCHVZNWVQD-GFCCVEGCSA-N 1 0 297.305 3.229 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600132893 347783541 /nfs/dbraw/zinc/78/35/41/347783541.db2.gz NSWALAWXWXHOMI-SNVBAGLBSA-N 1 0 284.306 3.161 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)o2)c1 ZINC000600191717 347791752 /nfs/dbraw/zinc/79/17/52/347791752.db2.gz NFINABGILWXGBB-BETUJISGSA-N 1 0 284.315 3.307 20 5 CGBDRO O=[N+]([O-])c1ccc(CO)c(-c2cccc([C@H]3CCC[NH2+]3)c2)c1 ZINC000600782061 347835143 /nfs/dbraw/zinc/83/51/43/347835143.db2.gz IILLHQRQUXCZJK-QGZVFWFLSA-N 1 0 298.342 3.179 20 5 CGBDRO C[C@H]1C[C@H](c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C[NH2+]1 ZINC000600788008 347835786 /nfs/dbraw/zinc/83/57/86/347835786.db2.gz CUMKTPLLIANLIJ-NHYWBVRUSA-N 1 0 283.331 3.122 20 5 CGBDRO CCC[C@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000601139376 347873754 /nfs/dbraw/zinc/87/37/54/347873754.db2.gz CACMVNUMUIDWBT-VSKPTYQZSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)F ZINC000601287322 347888868 /nfs/dbraw/zinc/88/88/68/347888868.db2.gz HGNSUGDHUZOQBI-JTQLQIEISA-N 1 0 254.305 3.302 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000601289815 347889250 /nfs/dbraw/zinc/88/92/50/347889250.db2.gz TWPJKSYWGTVSJU-HIFRSBDPSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000601306850 347890610 /nfs/dbraw/zinc/89/06/10/347890610.db2.gz SRRWMNHJWUMVFD-WHGOUJPWSA-N 1 0 274.242 3.196 20 5 CGBDRO CC[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602717711 348016627 /nfs/dbraw/zinc/01/66/27/348016627.db2.gz MTTRZVWQSHFVNP-NSHDSACASA-N 1 0 275.308 3.014 20 5 CGBDRO CSC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000602727124 348019386 /nfs/dbraw/zinc/01/93/86/348019386.db2.gz YSVSTVVZLAWNRZ-GQCTYLIASA-N 1 0 292.404 3.435 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(CCF)CC1 ZINC000602734080 348021001 /nfs/dbraw/zinc/02/10/01/348021001.db2.gz NKWQZINBKIFMPX-UHFFFAOYSA-N 1 0 266.316 3.166 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(F)CC1 ZINC000602992297 348052921 /nfs/dbraw/zinc/05/29/21/348052921.db2.gz JKGKYKZUNKBVLQ-LLVKDONJSA-N 1 0 266.316 3.480 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012783 348106554 /nfs/dbraw/zinc/10/65/54/348106554.db2.gz ZFEBNIGGDDPEGD-OKILXGFUSA-N 1 0 292.379 3.342 20 5 CGBDRO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000604433518 348120451 /nfs/dbraw/zinc/12/04/51/348120451.db2.gz TYHAPJAHODACAI-QWRGUYRKSA-N 1 0 283.397 3.189 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C2CC2)cs1 ZINC000609133528 348336884 /nfs/dbraw/zinc/33/68/84/348336884.db2.gz FMDUFIIIELUXGV-NSHDSACASA-N 1 0 252.339 3.031 20 5 CGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])s1 ZINC000609560591 348346893 /nfs/dbraw/zinc/34/68/93/348346893.db2.gz RJTRLPRIQVRCTM-TUAOUCFPSA-N 1 0 297.424 3.435 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610372174 348380911 /nfs/dbraw/zinc/38/09/11/348380911.db2.gz HFMIRNIDGDQVOP-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000610410638 348381506 /nfs/dbraw/zinc/38/15/06/348381506.db2.gz SJINTSGMOBXVMM-AWEZNQCLSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]([NH2+]CC=Cc1ccccc1[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000339457963 215185034 /nfs/dbraw/zinc/18/50/34/215185034.db2.gz JJRGLOXHXKFZLP-TXNVCOODSA-N 1 0 299.330 3.059 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])s2)C1 ZINC000610686876 348396949 /nfs/dbraw/zinc/39/69/49/348396949.db2.gz CBZBERMODBMSJY-LLVKDONJSA-N 1 0 283.397 3.046 20 5 CGBDRO O=[N+]([O-])c1sccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000610808802 348404553 /nfs/dbraw/zinc/40/45/53/348404553.db2.gz XUNHTXLKQJRLTD-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO COc1cc(C[N@H+]([C@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000351970455 219270220 /nfs/dbraw/zinc/27/02/20/219270220.db2.gz CDYJPFAOZHLOLK-LLVKDONJSA-N 1 0 290.363 3.366 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000611300338 348436738 /nfs/dbraw/zinc/43/67/38/348436738.db2.gz LYTBFRSAAUSCHD-ZDUSSCGKSA-N 1 0 299.374 3.500 20 5 CGBDRO COc1cc(C[N@H+]([C@@H](C)C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000351970456 219271268 /nfs/dbraw/zinc/27/12/68/219271268.db2.gz CDYJPFAOZHLOLK-NSHDSACASA-N 1 0 290.363 3.366 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612461857 348521279 /nfs/dbraw/zinc/52/12/79/348521279.db2.gz LWNORTCIXAQRKL-QWHCGFSZSA-N 1 0 280.368 3.388 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4CCC[C@H]43)nc2c1 ZINC000614600960 348685540 /nfs/dbraw/zinc/68/55/40/348685540.db2.gz VGGHNPRAMPNIIM-GXFFZTMASA-N 1 0 287.319 3.110 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4CCC[C@@H]43)nc2c1 ZINC000614600961 348685617 /nfs/dbraw/zinc/68/56/17/348685617.db2.gz VGGHNPRAMPNIIM-MFKMUULPSA-N 1 0 287.319 3.110 20 5 CGBDRO CC(C)(CNc1sccc1[N+](=O)[O-])C[NH+]1CCCC1 ZINC000616403989 348817536 /nfs/dbraw/zinc/81/75/36/348817536.db2.gz FDNPTYLJXUQMJY-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO O=[N+]([O-])c1ccccc1CNc1cc2c(c[nH+]1)CCC2 ZINC000339553961 215240954 /nfs/dbraw/zinc/24/09/54/215240954.db2.gz JPGXGNLOSIYBHE-UHFFFAOYSA-N 1 0 269.304 3.091 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC12CCOCC2)c1ccccc1[N+](=O)[O-] ZINC000619724132 349279515 /nfs/dbraw/zinc/27/95/15/349279515.db2.gz GEQIQJZLXKOYCX-SWLSCSKDSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000124121866 187123342 /nfs/dbraw/zinc/12/33/42/187123342.db2.gz ZEFYNXMGVKEFOB-ZFWWWQNUSA-N 1 0 292.379 3.110 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000154989737 188175085 /nfs/dbraw/zinc/17/50/85/188175085.db2.gz CCEPMCVMKABWCA-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000155160861 188187514 /nfs/dbraw/zinc/18/75/14/188187514.db2.gz SNXXIYHLUKHVLL-SNVBAGLBSA-N 1 0 284.381 3.092 20 5 CGBDRO CSC[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000292556406 198331101 /nfs/dbraw/zinc/33/11/01/198331101.db2.gz ZAUMUXCFOZOIKJ-AWEZNQCLSA-N 1 0 294.420 3.212 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000163887406 188617654 /nfs/dbraw/zinc/61/76/54/188617654.db2.gz SFQNKVNTRJPBHS-RYUDHWBXSA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000272170431 191554797 /nfs/dbraw/zinc/55/47/97/191554797.db2.gz WGGWELYQIHRZKV-MBNYWOFBSA-N 1 0 278.352 3.121 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414294956 235381461 /nfs/dbraw/zinc/38/14/61/235381461.db2.gz COBJIJCMKOBQLA-QWHCGFSZSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CC[NH2+]Cc2ccccc21 ZINC000414854727 235482438 /nfs/dbraw/zinc/48/24/38/235482438.db2.gz ZZDFPDNWHZOXED-UHFFFAOYSA-N 1 0 297.358 3.013 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000421351112 235804741 /nfs/dbraw/zinc/80/47/41/235804741.db2.gz LSPLBVSOURBCEM-CYBMUJFWSA-N 1 0 292.404 3.218 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000127577487 138389744 /nfs/dbraw/zinc/38/97/44/138389744.db2.gz IUVKOVNIDQHDKZ-OCCSQVGLSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424202271 236133183 /nfs/dbraw/zinc/13/31/83/236133183.db2.gz SPMIZSUBOIOPNS-LSDHHAIUSA-N 1 0 260.337 3.181 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424205963 236133685 /nfs/dbraw/zinc/13/36/85/236133685.db2.gz WMHJQQGVSSKJAS-FEDKZRLMSA-N 1 0 272.348 3.386 20 5 CGBDRO CC[C@H]([NH2+]CCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000296415526 199884470 /nfs/dbraw/zinc/88/44/70/199884470.db2.gz LBUKJPKSJSZBCQ-AWEZNQCLSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@]12CC[N@H+](Cc3ccccc3[N+](=O)[O-])C[C@@H]1C2(F)F ZINC000298210482 200361563 /nfs/dbraw/zinc/36/15/63/200361563.db2.gz DLZLNCJWUWVHRQ-QWHCGFSZSA-N 1 0 282.290 3.072 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000178563578 189127133 /nfs/dbraw/zinc/12/71/33/189127133.db2.gz XYONZQPBHVMVNJ-VZAMPYOESA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)CCCO ZINC000537937565 288553291 /nfs/dbraw/zinc/55/32/91/288553291.db2.gz RBUDFKDILBSHJC-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cccc3cc[nH]c32)cs1 ZINC000342299116 216298441 /nfs/dbraw/zinc/29/84/41/216298441.db2.gz FZFHCRHWTWCPDW-UHFFFAOYSA-N 1 0 287.344 3.427 20 5 CGBDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)c1ccc([N+](=O)[O-])cc1Cl ZINC000301551237 201064528 /nfs/dbraw/zinc/06/45/28/201064528.db2.gz QRNIWNTWLGDJPP-GWCFXTLKSA-N 1 0 297.786 3.025 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301606010 201092066 /nfs/dbraw/zinc/09/20/66/201092066.db2.gz YNPJEHLIUVCLKD-NWDGAFQWSA-N 1 0 281.331 3.019 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301810336 201212804 /nfs/dbraw/zinc/21/28/04/201212804.db2.gz XSQISEFSCBMREX-UWVGGRQHSA-N 1 0 299.321 3.158 20 5 CGBDRO CCSCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000301821901 201217566 /nfs/dbraw/zinc/21/75/66/201217566.db2.gz XIJCNPCLYOKWSY-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccccn1 ZINC000449064131 239151065 /nfs/dbraw/zinc/15/10/65/239151065.db2.gz OOMASLXUXPGIQH-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO COC1CCC([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000459680690 242179147 /nfs/dbraw/zinc/17/91/47/242179147.db2.gz PYZKAQZXZMTMGN-GQCTYLIASA-N 1 0 290.363 3.155 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000121697652 370886908 /nfs/dbraw/zinc/88/69/08/370886908.db2.gz DBQJDAMCXDMSIS-JTQLQIEISA-N 1 0 299.321 3.017 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@H+](CC2CC2)C2CCC2)cc1 ZINC000483310565 243276423 /nfs/dbraw/zinc/27/64/23/243276423.db2.gz QLQKWKHOMXDBGW-UHFFFAOYSA-N 1 0 274.364 3.402 20 5 CGBDRO COc1ccccc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000020097010 368802495 /nfs/dbraw/zinc/80/24/95/368802495.db2.gz XVFMLEOCMMFQNT-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO Cc1ccc([C@@H](C)NCC(C)(C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000020087895 368799672 /nfs/dbraw/zinc/79/96/72/368799672.db2.gz VWLCJHBXWLITDL-CYBMUJFWSA-N 1 0 293.411 3.142 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035661445 369004636 /nfs/dbraw/zinc/00/46/36/369004636.db2.gz QJJSAYUSZCIMNZ-OAHLLOKOSA-N 1 0 274.320 3.471 20 5 CGBDRO CCC[C@H]([NH2+]C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000036308383 369016201 /nfs/dbraw/zinc/01/62/01/369016201.db2.gz IUTCZGRWXDFMKT-HNNXBMFYSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1ccc(C[NH2+]CCCOCC(C)C)cc1[N+](=O)[O-] ZINC000035017497 368991036 /nfs/dbraw/zinc/99/10/36/368991036.db2.gz KBWVAXRMNAZHPH-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO CCC[NH+]1CCC(N[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037177141 369074426 /nfs/dbraw/zinc/07/44/26/369074426.db2.gz DHVMBHWQAALGJI-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccccc2F)cs1 ZINC000037562459 369088365 /nfs/dbraw/zinc/08/83/65/369088365.db2.gz XALDZZANKARMCO-UHFFFAOYSA-N 1 0 280.324 3.128 20 5 CGBDRO Cc1ccc(-c2csc([C@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000041162267 369178821 /nfs/dbraw/zinc/17/88/21/369178821.db2.gz BMNSMCWBLPAHJY-QMMMGPOBSA-N 1 0 263.322 3.046 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000048566574 369359372 /nfs/dbraw/zinc/35/93/72/369359372.db2.gz GFSVZCKWTCTJLR-UHFFFAOYSA-N 1 0 277.368 3.270 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000051124650 369445889 /nfs/dbraw/zinc/44/58/89/369445889.db2.gz BFMMSSCCQLNYAJ-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO CC1(CNc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000129440243 370987380 /nfs/dbraw/zinc/98/73/80/370987380.db2.gz GQCHZVBLFOCFLT-UHFFFAOYSA-N 1 0 283.759 3.050 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000330922229 203391910 /nfs/dbraw/zinc/39/19/10/203391910.db2.gz RBLBYOGNALIQKR-CYBMUJFWSA-N 1 0 296.342 3.363 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1cccc([N+](=O)[O-])c1 ZINC000064805734 369661000 /nfs/dbraw/zinc/66/10/00/369661000.db2.gz VHPUZHSWPPUKNH-UHFFFAOYSA-N 1 0 280.368 3.232 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2nc(C[NH+]3CCCC3)cs2)c1 ZINC000113316799 370471720 /nfs/dbraw/zinc/47/17/20/370471720.db2.gz NOTODWUGZGFHNM-UHFFFAOYSA-N 1 0 289.360 3.314 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](C3CC3)C2)c1 ZINC000344004544 217009000 /nfs/dbraw/zinc/00/90/00/217009000.db2.gz CXXAVAXIWOQTKP-AWEZNQCLSA-N 1 0 260.337 3.217 20 5 CGBDRO C[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000131324349 371098880 /nfs/dbraw/zinc/09/88/80/371098880.db2.gz MCWTVWWXFCRMPQ-FVOPLDGLSA-N 1 0 278.377 3.045 20 5 CGBDRO COCC[C@@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000331646833 204040375 /nfs/dbraw/zinc/04/03/75/204040375.db2.gz NTYRXIAFZVFOMA-LBPRGKRZSA-N 1 0 298.408 3.295 20 5 CGBDRO CCCC[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000132654447 371192123 /nfs/dbraw/zinc/19/21/23/371192123.db2.gz VGXSAWZCIVHSPT-UHFFFAOYSA-N 1 0 293.367 3.045 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000133122609 371228740 /nfs/dbraw/zinc/22/87/40/371228740.db2.gz CAWHJGIAQYOJBL-CYBMUJFWSA-N 1 0 277.349 3.292 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C1CCC1 ZINC000133247848 371238707 /nfs/dbraw/zinc/23/87/07/371238707.db2.gz HWGCEFPEUBJDJE-UHFFFAOYSA-N 1 0 254.717 3.233 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000286861664 371564657 /nfs/dbraw/zinc/56/46/57/371564657.db2.gz BDEWTHXEEWJROH-NWDGAFQWSA-N 1 0 280.393 3.389 20 5 CGBDRO C[NH+](C)[C@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000287075998 371599502 /nfs/dbraw/zinc/59/95/02/371599502.db2.gz TUZQMNCYMTVPRU-GFCCVEGCSA-N 1 0 293.298 3.042 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000287445193 371658959 /nfs/dbraw/zinc/65/89/59/371658959.db2.gz LCXNHBNLDBMALU-BJJXKVORSA-N 1 0 292.379 3.308 20 5 CGBDRO COC1([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000421836017 371659564 /nfs/dbraw/zinc/65/95/64/371659564.db2.gz NKGCSROUJUAJOU-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO COC1([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000421836016 371659835 /nfs/dbraw/zinc/65/98/35/371659835.db2.gz NKGCSROUJUAJOU-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO CCOc1cc(C[NH+]2CCCCCC2)ccc1[N+](=O)[O-] ZINC000332239379 204547277 /nfs/dbraw/zinc/54/72/77/204547277.db2.gz IHAJIFUIVZAIOZ-UHFFFAOYSA-N 1 0 278.352 3.370 20 5 CGBDRO C[C@@H]1C[C@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000344260698 217123843 /nfs/dbraw/zinc/12/38/43/217123843.db2.gz FUOXQEHEGIWMMN-VXGBXAGGSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc([N+](=O)[O-])c1 ZINC000160998389 372293947 /nfs/dbraw/zinc/29/39/47/372293947.db2.gz YKVOHTAXEBUCJL-CFVMTHIKSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)([NH2+]CC[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000429244968 372327675 /nfs/dbraw/zinc/32/76/75/372327675.db2.gz MVXDSNRWLCVDPR-ZDUSSCGKSA-N 1 0 292.379 3.379 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000344449823 217194212 /nfs/dbraw/zinc/19/42/12/217194212.db2.gz OMFODIHDSCGESE-VXGBXAGGSA-N 1 0 296.392 3.094 20 5 CGBDRO CC[C@H]([NH2+]CC[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165452633 372551686 /nfs/dbraw/zinc/55/16/86/372551686.db2.gz GUCNIHDOHMUAKM-LSDHHAIUSA-N 1 0 280.368 3.043 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000168449932 372611623 /nfs/dbraw/zinc/61/16/23/372611623.db2.gz FVTFDYULQKZQJA-LBPRGKRZSA-N 1 0 278.352 3.142 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C(C)C)CC1 ZINC000441438247 373013680 /nfs/dbraw/zinc/01/36/80/373013680.db2.gz IZWJOAMZKOXKPJ-UHFFFAOYSA-N 1 0 292.379 3.471 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296520232 373162223 /nfs/dbraw/zinc/16/22/23/373162223.db2.gz PWVBKFAAVLHOHN-RYUDHWBXSA-N 1 0 280.368 3.103 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccccn1 ZINC000344859575 217335838 /nfs/dbraw/zinc/33/58/38/217335838.db2.gz PDHZPWYFXHLAGX-KAMYIIQDSA-N 1 0 297.358 3.225 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000173457982 373144737 /nfs/dbraw/zinc/14/47/37/373144737.db2.gz MBAAQTXHIRPSFN-FZMZJTMJSA-N 1 0 280.368 3.307 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CCOC1 ZINC000344898194 217350269 /nfs/dbraw/zinc/35/02/69/217350269.db2.gz ZXSBQRUGHBDFBM-LPDYGMJQSA-N 1 0 290.363 3.014 20 5 CGBDRO CC(C)[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000444769616 373266996 /nfs/dbraw/zinc/26/69/96/373266996.db2.gz ISXWFEGERNKXAI-AWEZNQCLSA-N 1 0 292.379 3.342 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1F ZINC000301074427 373650774 /nfs/dbraw/zinc/65/07/74/373650774.db2.gz GOBQVVSIOIFLMR-RYUDHWBXSA-N 1 0 295.358 3.266 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC(C)(C)O ZINC000449454220 373738417 /nfs/dbraw/zinc/73/84/17/373738417.db2.gz YTZISGBPPKMMIW-YQCJOKCJSA-N 1 0 292.379 3.137 20 5 CGBDRO COCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCC1 ZINC000449738232 373865005 /nfs/dbraw/zinc/86/50/05/373865005.db2.gz AEPAXNXSXOOHGR-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCC1 ZINC000449739433 373867486 /nfs/dbraw/zinc/86/74/86/373867486.db2.gz AHPRONZZZXHOBT-UHFFFAOYSA-N 1 0 296.342 3.030 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCOCC1 ZINC000179849438 373928291 /nfs/dbraw/zinc/92/82/91/373928291.db2.gz WYLNDSQMDIKJGD-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073054 374226327 /nfs/dbraw/zinc/22/63/27/374226327.db2.gz ALLVMIFVLGNNTM-ZIAGYGMSSA-N 1 0 292.379 3.404 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC000311148144 374233393 /nfs/dbraw/zinc/23/33/93/374233393.db2.gz NYJLHFVLCDWTTH-LLVKDONJSA-N 1 0 270.279 3.120 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000311912133 374262064 /nfs/dbraw/zinc/26/20/64/374262064.db2.gz HOMXFRBQTWARIG-GFCCVEGCSA-N 1 0 265.357 3.044 20 5 CGBDRO CO[C@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000312624324 374286085 /nfs/dbraw/zinc/28/60/85/374286085.db2.gz VIVDORFYJCONQO-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000453328394 374424196 /nfs/dbraw/zinc/42/41/96/374424196.db2.gz TUVPQAJSGHXVQR-PWSUYJOCSA-N 1 0 280.368 3.103 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000453360117 374447970 /nfs/dbraw/zinc/44/79/70/374447970.db2.gz KGEJDYDDRXKZLT-MKBNYLNASA-N 1 0 292.379 3.367 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000453360121 374448151 /nfs/dbraw/zinc/44/81/51/374448151.db2.gz KGEJDYDDRXKZLT-WQGACYEGSA-N 1 0 292.379 3.367 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H](O)CC ZINC000453390784 374472397 /nfs/dbraw/zinc/47/23/97/374472397.db2.gz YKXGAIMNXRIWRH-OAGGEKHMSA-N 1 0 292.379 3.111 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC2(CC2)C1 ZINC000186606287 374885112 /nfs/dbraw/zinc/88/51/12/374885112.db2.gz DUIMGJVTQDPSSD-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000465051030 374929705 /nfs/dbraw/zinc/92/97/05/374929705.db2.gz OEXUENQZLGLGPR-CQSZACIVSA-N 1 0 291.395 3.293 20 5 CGBDRO C[C@@H]1C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC000472295892 375018186 /nfs/dbraw/zinc/01/81/86/375018186.db2.gz PDHSORUHGFIXAW-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000188684531 375254786 /nfs/dbraw/zinc/25/47/86/375254786.db2.gz YQWNMWYUVADTDE-CYBMUJFWSA-N 1 0 294.395 3.321 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000189159343 375333898 /nfs/dbraw/zinc/33/38/98/375333898.db2.gz LAWQNRJLQIKGSO-CQSZACIVSA-N 1 0 260.337 3.407 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC=CCC1 ZINC000507157893 375681348 /nfs/dbraw/zinc/68/13/48/375681348.db2.gz YDOZKFKSOGWQIJ-ZDUSSCGKSA-N 1 0 260.337 3.383 20 5 CGBDRO COC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCC1 ZINC000515867006 375816119 /nfs/dbraw/zinc/81/61/19/375816119.db2.gz FZKGCYMWLLUUMD-CQSZACIVSA-N 1 0 290.363 3.131 20 5 CGBDRO CSC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000193643355 375903604 /nfs/dbraw/zinc/90/36/04/375903604.db2.gz JELLRBDOWAELAC-UHFFFAOYSA-N 1 0 272.395 3.032 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCCC1 ZINC000193819708 375926163 /nfs/dbraw/zinc/92/61/63/375926163.db2.gz HIHQDQFJKIIKPQ-UHFFFAOYSA-N 1 0 293.323 3.125 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336785616 375935709 /nfs/dbraw/zinc/93/57/09/375935709.db2.gz ABQWYMLXXIYMBL-JTQLQIEISA-N 1 0 252.289 3.108 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336842577 376005327 /nfs/dbraw/zinc/00/53/27/376005327.db2.gz UZGOFQSYAVMXDT-LLVKDONJSA-N 1 0 283.347 3.185 20 5 CGBDRO O=[N+]([O-])c1c2cccnc2ccc1N1CCc2c[nH+]ccc21 ZINC000535719447 376049975 /nfs/dbraw/zinc/04/99/75/376049975.db2.gz ZVKGPXMLCVZZAN-UHFFFAOYSA-N 1 0 292.298 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000336829438 375988351 /nfs/dbraw/zinc/98/83/51/375988351.db2.gz AJJNEIRDQWUNSI-XHDPSFHLSA-N 1 0 278.327 3.498 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000336830873 375990730 /nfs/dbraw/zinc/99/07/30/375990730.db2.gz HOPXVWPVGHRDPS-HUUCEWRRSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000222135771 376229786 /nfs/dbraw/zinc/22/97/86/376229786.db2.gz TVWIWWPLLRTHQL-ZYHUDNBSSA-N 1 0 266.366 3.059 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000222677606 376240170 /nfs/dbraw/zinc/24/01/70/376240170.db2.gz GUSKUJRWSGINMV-HRCADAONSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](CC(C)C)CC1 ZINC000223242428 376250538 /nfs/dbraw/zinc/25/05/38/376250538.db2.gz IONKWGACBMRASL-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO C[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000538726399 376263664 /nfs/dbraw/zinc/26/36/64/376263664.db2.gz PTBWKOHEBJUOFS-BXLSQVKPSA-N 1 0 260.337 3.196 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109652 376271646 /nfs/dbraw/zinc/27/16/46/376271646.db2.gz UMUXGTWZPATWJF-KCQAQPDRSA-N 1 0 291.395 3.037 20 5 CGBDRO C[C@H]1CCC[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230666416 376527528 /nfs/dbraw/zinc/52/75/28/376527528.db2.gz KQXDMGKOMXOEGA-GXSJLCMTSA-N 1 0 254.355 3.182 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000234838561 376623179 /nfs/dbraw/zinc/62/31/79/376623179.db2.gz PARUQISTZPKCMO-CHWSQXEVSA-N 1 0 298.770 3.151 20 5 CGBDRO COc1ccc(-c2ccc(C[NH2+]C(C)C)o2)c([N+](=O)[O-])c1 ZINC000237287078 376738582 /nfs/dbraw/zinc/73/85/82/376738582.db2.gz YUUVOXUOBHNETP-UHFFFAOYSA-N 1 0 290.319 3.361 20 5 CGBDRO CC/C=C/CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000545223476 376800640 /nfs/dbraw/zinc/80/06/40/376800640.db2.gz FTQGAQUQFSTTAX-ONEGZZNKSA-N 1 0 260.337 3.309 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000252040266 377613494 /nfs/dbraw/zinc/61/34/94/377613494.db2.gz ZJEGICGRQLKHOE-SLEUVZQESA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341996158 377625231 /nfs/dbraw/zinc/62/52/31/377625231.db2.gz VNJDSRGCSRILFG-BBRMVZONSA-N 1 0 290.363 3.158 20 5 CGBDRO Cc1cc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000574702728 377696810 /nfs/dbraw/zinc/69/68/10/377696810.db2.gz DYVVOVAHKYJUEA-OAHLLOKOSA-N 1 0 283.331 3.075 20 5 CGBDRO CC1(C)C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000255218511 377743672 /nfs/dbraw/zinc/74/36/72/377743672.db2.gz MNFOYELEFLRKQG-BRLPQQTGSA-N 1 0 290.363 3.155 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000343378462 377963267 /nfs/dbraw/zinc/96/32/67/377963267.db2.gz AFCXHYQCQKNODN-AWEZNQCLSA-N 1 0 296.342 3.029 20 5 CGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000343476677 377992019 /nfs/dbraw/zinc/99/20/19/377992019.db2.gz VLCJEULYUXDCEL-SZTZYQKNSA-N 1 0 290.363 3.109 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266782122 378025400 /nfs/dbraw/zinc/02/54/00/378025400.db2.gz NIHWEZZDTUNPLG-NJZAAPMLSA-N 1 0 278.352 3.203 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000343948589 378141478 /nfs/dbraw/zinc/14/14/78/378141478.db2.gz IJQOPGPIQQXNNZ-GFCCVEGCSA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1ncncc1[C@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578667570 378090701 /nfs/dbraw/zinc/09/07/01/378090701.db2.gz VQQKUNQFOIPPBW-JQWIXIFHSA-N 1 0 286.335 3.105 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000268987014 378166196 /nfs/dbraw/zinc/16/61/96/378166196.db2.gz UGZGRXWLXGQOSH-CQSZACIVSA-N 1 0 290.363 3.095 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269697566 378255356 /nfs/dbraw/zinc/25/53/56/378255356.db2.gz XGIWYXAGFHUTHS-XNRPHZJLSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)OC ZINC000276873612 379010842 /nfs/dbraw/zinc/01/08/42/379010842.db2.gz FGZNOWHMARQWSB-RYUDHWBXSA-N 1 0 298.408 3.090 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]C3CCCCCC3)nc2c1 ZINC000278643411 194083028 /nfs/dbraw/zinc/08/30/28/194083028.db2.gz JCAJLRNOMDFAQJ-UHFFFAOYSA-N 1 0 288.351 3.284 20 5 CGBDRO Cc1ccnc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000353691087 220257520 /nfs/dbraw/zinc/25/75/20/220257520.db2.gz SSFGXYOITWOYFJ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000277200586 379096047 /nfs/dbraw/zinc/09/60/47/379096047.db2.gz JLOUJOVFTIVOQO-JSGCOSHPSA-N 1 0 280.393 3.215 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3occc32)c1 ZINC000278791606 194156599 /nfs/dbraw/zinc/15/65/99/194156599.db2.gz QKZYMMNCXWAPEO-OAHLLOKOSA-N 1 0 286.331 3.398 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000349358964 379246421 /nfs/dbraw/zinc/24/64/21/379246421.db2.gz XTKFGUPQDDMUAP-YGRLFVJLSA-N 1 0 292.360 3.041 20 5 CGBDRO COC1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000267075088 190301677 /nfs/dbraw/zinc/30/16/77/190301677.db2.gz WOTZIMSNFDXVRB-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352541603 379850301 /nfs/dbraw/zinc/85/03/01/379850301.db2.gz ZTMLWWJCGGBHFD-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@H]1CCCCO1 ZINC000352670645 379902819 /nfs/dbraw/zinc/90/28/19/379902819.db2.gz HPDPMVLFBKLTDO-DDJMYBDESA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@H]([NH2+]CCC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402106120 379962887 /nfs/dbraw/zinc/96/28/87/379962887.db2.gz WUSKPTLOTGKJOX-STQMWFEESA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352796140 379966642 /nfs/dbraw/zinc/96/66/42/379966642.db2.gz GENKBMDQWRPMBB-GZMMTYOYSA-N 1 0 286.784 3.089 20 5 CGBDRO COc1cc(C[NH2+][C@@H](C)c2ccccc2)ccc1[N+](=O)[O-] ZINC000352769561 379950417 /nfs/dbraw/zinc/95/04/17/379950417.db2.gz NIWDWHPDDPGVOO-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352779515 379954271 /nfs/dbraw/zinc/95/42/71/379954271.db2.gz PPLKPCUFPOSPPY-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO COCC[C@H](C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414478794 380255528 /nfs/dbraw/zinc/25/55/28/380255528.db2.gz GYNNCFYOPGZGLE-ZDUSSCGKSA-N 1 0 294.395 3.480 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414598752 380333459 /nfs/dbraw/zinc/33/34/59/380333459.db2.gz YOFMJJHIZVVKPH-ZIAGYGMSSA-N 1 0 272.304 3.142 20 5 CGBDRO Cc1ccc(C[NH2+]CC(C)(C)OCC2CC2)cc1[N+](=O)[O-] ZINC000414514264 380288656 /nfs/dbraw/zinc/28/86/56/380288656.db2.gz HUWSTLPASSXLGS-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000539510200 288618859 /nfs/dbraw/zinc/61/88/59/288618859.db2.gz QPONFKVEYLIOCR-YIKOMLBNSA-N 1 0 292.379 3.305 20 5 CGBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000414920697 380489347 /nfs/dbraw/zinc/48/93/47/380489347.db2.gz YNZGLTRJFBQJSV-MRXNPFEDSA-N 1 0 297.358 3.344 20 5 CGBDRO COCCCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417302010 380587939 /nfs/dbraw/zinc/58/79/39/380587939.db2.gz BAOJKYQTJKAKDK-INIZCTEOSA-N 1 0 292.379 3.379 20 5 CGBDRO CC1(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000355139531 380595592 /nfs/dbraw/zinc/59/55/92/380595592.db2.gz SWBSTEMNUVABPU-XQRVVYSFSA-N 1 0 260.337 3.388 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417333600 380595812 /nfs/dbraw/zinc/59/58/12/380595812.db2.gz GEMIVEYXSQSQHK-YPMHNXCESA-N 1 0 290.363 3.444 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCCCO)CCCC2 ZINC000417333107 380596141 /nfs/dbraw/zinc/59/61/41/380596141.db2.gz PIUCUGXRILSPDC-INIZCTEOSA-N 1 0 292.379 3.115 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](CO)CC2CCCCC2)cs1 ZINC000418132105 380708870 /nfs/dbraw/zinc/70/88/70/380708870.db2.gz XUKCJCRNPRYXLC-CYBMUJFWSA-N 1 0 298.408 3.077 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000418125405 380708027 /nfs/dbraw/zinc/70/80/27/380708027.db2.gz JGDSWHJWLHINFM-SRVKXCTJSA-N 1 0 278.352 3.080 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+](C)C)CC1 ZINC000419012960 380762867 /nfs/dbraw/zinc/76/28/67/380762867.db2.gz YDGDPTBBPJDOEV-UHFFFAOYSA-N 1 0 283.759 3.063 20 5 CGBDRO CC(C)[NH+](CCN(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000355574082 380715246 /nfs/dbraw/zinc/71/52/46/380715246.db2.gz JKPLPJZFUVIVQI-UHFFFAOYSA-N 1 0 279.384 3.150 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356790562 380872933 /nfs/dbraw/zinc/87/29/33/380872933.db2.gz SRFMYQBOKSJNPF-INWMFGNUSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2(O)CCC2)c(Cl)c1 ZINC000421393785 380941837 /nfs/dbraw/zinc/94/18/37/380941837.db2.gz WXMHOTXGJMRPTH-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000357729998 381268325 /nfs/dbraw/zinc/26/83/25/381268325.db2.gz KLNRYGLINVNXKW-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)CC1CCC1 ZINC000361484267 381768627 /nfs/dbraw/zinc/76/86/27/381768627.db2.gz IPBZTMIPLDKXES-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@H](C)C1 ZINC000361642490 381852810 /nfs/dbraw/zinc/85/28/10/381852810.db2.gz JJSJGWJMNRHUPQ-BBRMVZONSA-N 1 0 292.379 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC3(CC3)CC2)cc1 ZINC000362916121 382147131 /nfs/dbraw/zinc/14/71/31/382147131.db2.gz DYCUSKJVXDIPRI-UHFFFAOYSA-N 1 0 274.364 3.450 20 5 CGBDRO COC1(C[C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000429413335 533009608 /nfs/dbraw/zinc/00/96/08/533009608.db2.gz ATEXDZTTXSQETG-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)CCC2 ZINC000332006117 285144941 /nfs/dbraw/zinc/14/49/41/285144941.db2.gz FAQZGFTWZZYZIA-LALPHHSUSA-N 1 0 278.327 3.452 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000492299211 285154364 /nfs/dbraw/zinc/15/43/64/285154364.db2.gz ZCMIJRVOUGCOJB-NSHDSACASA-N 1 0 280.755 3.480 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447204 195243945 /nfs/dbraw/zinc/24/39/45/195243945.db2.gz QJQVLNOELRLEFQ-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000411956409 533356448 /nfs/dbraw/zinc/35/64/48/533356448.db2.gz VKCCZJNQEREXSR-ZUZCIYMTSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F)C1CC1 ZINC000237468097 131033919 /nfs/dbraw/zinc/03/39/19/131033919.db2.gz CYXCWTGLZYINLR-MRVPVSSYSA-N 1 0 286.278 3.084 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000362442293 392416391 /nfs/dbraw/zinc/41/63/91/392416391.db2.gz WDCXUUOXTCEXAU-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1cc(N[C@@H](C)C[C@@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000136405377 392477818 /nfs/dbraw/zinc/47/78/18/392477818.db2.gz QTGWFTURGBFXNP-GXSJLCMTSA-N 1 0 289.335 3.023 20 5 CGBDRO CCC[C@H]([NH2+]CC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184523039 392763656 /nfs/dbraw/zinc/76/36/56/392763656.db2.gz MCQYLTGEHWFFEV-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@@H]1c1ncc[nH]1 ZINC000375353130 392771830 /nfs/dbraw/zinc/77/18/30/392771830.db2.gz OLRQZJNOZJHJTE-YFCVBGDOSA-N 1 0 298.346 3.168 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCCC1 ZINC000519905698 392901512 /nfs/dbraw/zinc/90/15/12/392901512.db2.gz CMVYMOJHPJJQBJ-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCC2)C1 ZINC000408213948 392970973 /nfs/dbraw/zinc/97/09/73/392970973.db2.gz FMACNTZBAALTDO-CYBMUJFWSA-N 1 0 290.363 3.158 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C)C1 ZINC000468749074 393160170 /nfs/dbraw/zinc/16/01/70/393160170.db2.gz HUQPVPCQRPVQLZ-WUXMJOGZSA-N 1 0 260.337 3.386 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H](C)OC ZINC000276873613 393301616 /nfs/dbraw/zinc/30/16/16/393301616.db2.gz FGZNOWHMARQWSB-VXGBXAGGSA-N 1 0 298.408 3.090 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCc2ccccc2F)c1 ZINC000475574509 393408548 /nfs/dbraw/zinc/40/85/48/393408548.db2.gz KTAVIEQREKVTNI-UHFFFAOYSA-N 1 0 288.322 3.456 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563029 393481407 /nfs/dbraw/zinc/48/14/07/393481407.db2.gz AWJZRBMFSGCNKL-ZYHUDNBSSA-N 1 0 296.342 3.363 20 5 CGBDRO Cc1cc(N[C@@H](C)[C@@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420269628 393445463 /nfs/dbraw/zinc/44/54/63/393445463.db2.gz UFSGPUQXMYVQAL-SFYZADRCSA-N 1 0 291.273 3.070 20 5 CGBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccc([N+](=O)[O-])cc1 ZINC000420289447 393450347 /nfs/dbraw/zinc/45/03/47/393450347.db2.gz ZHTOBQSFDBTYMJ-MRXNPFEDSA-N 1 0 285.347 3.269 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(C)C)C1 ZINC000430213184 393540977 /nfs/dbraw/zinc/54/09/77/393540977.db2.gz RZEPICIETBMIKR-LBPRGKRZSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@H]1C[C@@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357945 393496465 /nfs/dbraw/zinc/49/64/65/393496465.db2.gz QMLFCWDNTDWTCY-WCQYABFASA-N 1 0 260.337 3.215 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239158 393546378 /nfs/dbraw/zinc/54/63/78/393546378.db2.gz MVSWZRYLKZFOEU-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199445 393537439 /nfs/dbraw/zinc/53/74/39/393537439.db2.gz BTILUBZOXGPUKI-BXUZGUMPSA-N 1 0 278.352 3.224 20 5 CGBDRO CC1=C[C@@H](C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430266614 393552385 /nfs/dbraw/zinc/55/23/85/393552385.db2.gz DEDYKOFQNHYVLY-CYBMUJFWSA-N 1 0 290.363 3.262 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC(C)C ZINC000489134256 393576041 /nfs/dbraw/zinc/57/60/41/393576041.db2.gz FEOUJOZBQVLUEX-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491159500 393669519 /nfs/dbraw/zinc/66/95/19/393669519.db2.gz DPBSIDODIBFCHC-WCQYABFASA-N 1 0 260.337 3.388 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000492506792 393746648 /nfs/dbraw/zinc/74/66/48/393746648.db2.gz CTTHLUWOIYXECH-GFCCVEGCSA-N 1 0 280.368 3.470 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000502278443 393872209 /nfs/dbraw/zinc/87/22/09/393872209.db2.gz CGLTXMFJFRYOJU-KBMXLJTQSA-N 1 0 274.364 3.306 20 5 CGBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787354 393861231 /nfs/dbraw/zinc/86/12/31/393861231.db2.gz WHAGEWUEVIRQFP-VXGBXAGGSA-N 1 0 262.353 3.381 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000449587861 393914852 /nfs/dbraw/zinc/91/48/52/393914852.db2.gz PGWJPTOVCGPMPW-HNNXBMFYSA-N 1 0 294.395 3.132 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000453391570 394228699 /nfs/dbraw/zinc/22/86/99/394228699.db2.gz YETQRPOJESCKOM-ZIAGYGMSSA-N 1 0 292.379 3.371 20 5 CGBDRO CC[C@@H](N[C@@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691351 397625875 /nfs/dbraw/zinc/62/58/75/397625875.db2.gz UHYSKIVPDCWODF-XJKSGUPXSA-N 1 0 293.411 3.366 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000075768905 287028373 /nfs/dbraw/zinc/02/83/73/287028373.db2.gz DCGIKIVUBZWLFA-RISCZKNCSA-N 1 0 278.327 3.498 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159238156 287039772 /nfs/dbraw/zinc/03/97/72/287039772.db2.gz DRQULGRELYFJRA-KCXAZCMYSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076064634 165111568 /nfs/dbraw/zinc/11/15/68/165111568.db2.gz ARKHAZWTVOKNHO-AWEZNQCLSA-N 1 0 280.393 3.168 20 5 CGBDRO CC(C)[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000076063848 165113198 /nfs/dbraw/zinc/11/31/98/165113198.db2.gz URRXXCYRHXZEBO-CQSZACIVSA-N 1 0 280.393 3.168 20 5 CGBDRO Cc1ncsc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000080347097 165154710 /nfs/dbraw/zinc/15/47/10/165154710.db2.gz ZGRDHRQGGZOSFO-UHFFFAOYSA-N 1 0 291.376 3.385 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000091957502 165276377 /nfs/dbraw/zinc/27/63/77/165276377.db2.gz ZJOHFBVGKFURLG-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1ccc(C[NH+]2C[C@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093443123 287116655 /nfs/dbraw/zinc/11/66/55/287116655.db2.gz IOZDWFDVEYWRBX-ZIAGYGMSSA-N 1 0 260.337 3.135 20 5 CGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@@H]1CCSC1 ZINC000119551509 287170803 /nfs/dbraw/zinc/17/08/03/287170803.db2.gz PBIKLOPDWHLWAH-SECBINFHSA-N 1 0 286.784 3.186 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020137492 171024292 /nfs/dbraw/zinc/02/42/92/171024292.db2.gz YWMQVSDTSUZFPL-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833630 196140899 /nfs/dbraw/zinc/14/08/99/196140899.db2.gz QPOSOVMYNHHTBN-CVEARBPZSA-N 1 0 290.363 3.047 20 5 CGBDRO CC(C)CCOCC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000045093789 175306995 /nfs/dbraw/zinc/30/69/95/175306995.db2.gz FYWGFXBGVFTODT-ZDUSSCGKSA-N 1 0 280.368 3.308 20 5 CGBDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000067217559 175770991 /nfs/dbraw/zinc/77/09/91/175770991.db2.gz OPAASABUOYOIGK-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](c1ccco1)[NH+](C)C ZINC000109317201 292586707 /nfs/dbraw/zinc/58/67/07/292586707.db2.gz OSNPMHJJQWFDNJ-CYBMUJFWSA-N 1 0 289.335 3.211 20 5 CGBDRO CC[NH2+][C@@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000180008216 260086539 /nfs/dbraw/zinc/08/65/39/260086539.db2.gz MHBQCPIQZMLQTO-HNNXBMFYSA-N 1 0 256.305 3.294 20 5 CGBDRO CCCC[N@H+](CC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000131786225 287389350 /nfs/dbraw/zinc/38/93/50/287389350.db2.gz VXBHDLRHLYMREW-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC(C)(C)C ZINC000536841228 288505625 /nfs/dbraw/zinc/50/56/25/288505625.db2.gz YFDWFDIEZMEUGY-QWHCGFSZSA-N 1 0 294.395 3.351 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000361763483 261389647 /nfs/dbraw/zinc/38/96/47/261389647.db2.gz DWPFNWVHILNXGF-GXTWGEPZSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000035254878 270027640 /nfs/dbraw/zinc/02/76/40/270027640.db2.gz MSDBBTFPKNJRDL-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000042123214 270031799 /nfs/dbraw/zinc/03/17/99/270031799.db2.gz BVXIACBSQCJFIN-LLVKDONJSA-N 1 0 260.337 3.358 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000191295342 270074704 /nfs/dbraw/zinc/07/47/04/270074704.db2.gz UYYMKDYQZQQRSS-CYBMUJFWSA-N 1 0 266.316 3.402 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000322638460 270093802 /nfs/dbraw/zinc/09/38/02/270093802.db2.gz BGLPIPKDHULJSA-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H](C2CC2)C2CCC2)c1 ZINC000324640203 270094523 /nfs/dbraw/zinc/09/45/23/270094523.db2.gz CNPMMUHECHUWIE-HNNXBMFYSA-N 1 0 260.337 3.263 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000523607613 270110023 /nfs/dbraw/zinc/11/00/23/270110023.db2.gz LTWVIZVNUKNJCT-LLVKDONJSA-N 1 0 250.342 3.381 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000530460320 270200335 /nfs/dbraw/zinc/20/03/35/270200335.db2.gz KUSHENAWYDIUBH-SGMGOOAPSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000532522496 270216772 /nfs/dbraw/zinc/21/67/72/270216772.db2.gz WTIJSMNPWOYJJR-WBMJQRKESA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H](CCCO)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279075072 274208796 /nfs/dbraw/zinc/20/87/96/274208796.db2.gz MBVYWPXYQIVANF-NHYWBVRUSA-N 1 0 292.379 3.068 20 5 CGBDRO C[C@@H]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708519 274317472 /nfs/dbraw/zinc/31/74/72/274317472.db2.gz RKKFWXBQDLDDKZ-MNOVXSKESA-N 1 0 288.351 3.092 20 5 CGBDRO O=[N+]([O-])c1ccsc1NC1CC[NH+](C2CCCC2)CC1 ZINC000302020130 275040688 /nfs/dbraw/zinc/04/06/88/275040688.db2.gz NLQOVBKTRHJZAI-UHFFFAOYSA-N 1 0 295.408 3.475 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447539032 275696263 /nfs/dbraw/zinc/69/62/63/275696263.db2.gz FHGMOUUVYHQDQI-MCIONIFRSA-N 1 0 294.399 3.157 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433148041 275867295 /nfs/dbraw/zinc/86/72/95/275867295.db2.gz PWOYISUJXAHAMJ-AWEZNQCLSA-N 1 0 260.337 3.317 20 5 CGBDRO CCC[NH+]1CCC(N[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000020526253 276258076 /nfs/dbraw/zinc/25/80/76/276258076.db2.gz BYOQVWOFVCRFJB-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449306840 277336177 /nfs/dbraw/zinc/33/61/77/277336177.db2.gz MUGSMBZXDDMION-INWMFGNUSA-N 1 0 292.379 3.073 20 5 CGBDRO COC(C)(C)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433283822 277458866 /nfs/dbraw/zinc/45/88/66/277458866.db2.gz JHAUKSUNULDNNR-CQSZACIVSA-N 1 0 292.379 3.332 20 5 CGBDRO C[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CC(F)(F)F ZINC000396919004 288018209 /nfs/dbraw/zinc/01/82/09/288018209.db2.gz WXCJFOSVJRTWQX-SECBINFHSA-N 1 0 276.258 3.273 20 5 CGBDRO C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000459400138 288089019 /nfs/dbraw/zinc/08/90/19/288089019.db2.gz ZLGMRYYPKRTWDY-NSHDSACASA-N 1 0 298.346 3.113 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]1C ZINC000487961164 288115977 /nfs/dbraw/zinc/11/59/77/288115977.db2.gz GOSCLJXUIPDJDU-DZGCQCFKSA-N 1 0 292.379 3.232 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000449252322 279382833 /nfs/dbraw/zinc/38/28/33/279382833.db2.gz QGBAORUGOUYRKC-XJKCOSOUSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](F)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000340461257 279390856 /nfs/dbraw/zinc/39/08/56/279390856.db2.gz MHEYUTSZFWMSHA-IINYFYTJSA-N 1 0 266.316 3.310 20 5 CGBDRO C[C@]1(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000192945812 280159455 /nfs/dbraw/zinc/15/94/55/280159455.db2.gz KUYGIEHLNPFMCE-JKSUJKDBSA-N 1 0 290.363 3.131 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@H]2CCC=CO2)C2CC2)cc1 ZINC000193701917 280363658 /nfs/dbraw/zinc/36/36/58/280363658.db2.gz QDVYUPBJHIUHKZ-MRXNPFEDSA-N 1 0 288.347 3.252 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000532204244 288355513 /nfs/dbraw/zinc/35/55/13/288355513.db2.gz VEQHGGHEDOHYDP-OCCSQVGLSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCCO1 ZINC000532204245 288355562 /nfs/dbraw/zinc/35/55/62/288355562.db2.gz VEQHGGHEDOHYDP-TZMCWYRMSA-N 1 0 278.352 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+](CC2CC2)CC2CC2)c1 ZINC000533381931 288379019 /nfs/dbraw/zinc/37/90/19/288379019.db2.gz LIWFMXLOVSJHBX-UHFFFAOYSA-N 1 0 290.363 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3C4CCC3CC4)co2)cc1 ZINC000536319802 288478345 /nfs/dbraw/zinc/47/83/45/288478345.db2.gz KTATTWGRYSVPFR-UHFFFAOYSA-N 1 0 299.330 3.377 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000549581762 289047316 /nfs/dbraw/zinc/04/73/16/289047316.db2.gz ZPBGJHCYHKIXTB-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000556251803 289381733 /nfs/dbraw/zinc/38/17/33/289381733.db2.gz GRBFTGFRWCSUJF-WQAKAFBOSA-N 1 0 252.289 3.136 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCCCO ZINC000560349193 289585371 /nfs/dbraw/zinc/58/53/71/289585371.db2.gz APRKOYIBZMQQRO-QWHCGFSZSA-N 1 0 280.368 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC[C@H](F)C1)C1CC1 ZINC000562056697 289671430 /nfs/dbraw/zinc/67/14/30/289671430.db2.gz TYZZMKISTJZIOS-KKUMJFAQSA-N 1 0 292.354 3.396 20 5 CGBDRO CC1(C)C[N@H+](Cc2cccc([N+](=O)[O-])c2)[C@@H]1C1CC1 ZINC000565807433 322092114 /nfs/dbraw/zinc/09/21/14/322092114.db2.gz SPYDIXAEDVZZAN-CQSZACIVSA-N 1 0 260.337 3.215 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000567123617 322151429 /nfs/dbraw/zinc/15/14/29/322151429.db2.gz NZIUHVSBXNDEAP-QMTHXVAHSA-N 1 0 299.330 3.034 20 5 CGBDRO CC(C)SCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000101 322230839 /nfs/dbraw/zinc/23/08/39/322230839.db2.gz BPAWUFFFRPSKRC-CYBMUJFWSA-N 1 0 280.393 3.313 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569148275 322236889 /nfs/dbraw/zinc/23/68/89/322236889.db2.gz NKLGHGNSDKROSA-YPMHNXCESA-N 1 0 287.363 3.397 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572974903 322363990 /nfs/dbraw/zinc/36/39/90/322363990.db2.gz CVICOSOPRSYSBX-LERXQTSPSA-N 1 0 260.337 3.360 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000573169491 322373518 /nfs/dbraw/zinc/37/35/18/322373518.db2.gz HEHVPYXLILACPJ-ZDUSSCGKSA-N 1 0 280.368 3.484 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc3[nH]ccc3c2)cc1 ZINC000389625001 328947537 /nfs/dbraw/zinc/94/75/37/328947537.db2.gz SGXSDBIWRVEXPO-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO CO[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000583093348 329314765 /nfs/dbraw/zinc/31/47/65/329314765.db2.gz HXVWPHYZGUOKMF-UKRRQHHQSA-N 1 0 292.379 3.233 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)C(C)(C)C ZINC000577876317 335416104 /nfs/dbraw/zinc/41/61/04/335416104.db2.gz UPAITWMRRQPOBV-SNVBAGLBSA-N 1 0 266.341 3.128 20 5 CGBDRO Cc1cc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)cs1 ZINC000381120802 336050948 /nfs/dbraw/zinc/05/09/48/336050948.db2.gz FBOVELOPPJLFHG-UHFFFAOYSA-N 1 0 292.360 3.133 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000381347864 336059838 /nfs/dbraw/zinc/05/98/38/336059838.db2.gz DKSNRDYDTCOLIU-SLEUVZQESA-N 1 0 280.368 3.307 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000383884176 336119007 /nfs/dbraw/zinc/11/90/07/336119007.db2.gz HBKGFOYCWHAUQK-VIFPVBQESA-N 1 0 287.310 3.014 20 5 CGBDRO COCC1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000295959150 500806603 /nfs/dbraw/zinc/80/66/03/500806603.db2.gz HTRPVQKTKHKZRM-OPFPJEHXSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000126178193 533956114 /nfs/dbraw/zinc/95/61/14/533956114.db2.gz PKGOTKWJSKMHAZ-OLZOCXBDSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[N@H+](CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000156594215 521082916 /nfs/dbraw/zinc/08/29/16/521082916.db2.gz GMRAYUCTDWTAAQ-AWEZNQCLSA-N 1 0 293.411 3.284 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012318 521162034 /nfs/dbraw/zinc/16/20/34/521162034.db2.gz ATGWEYFIVPMZJX-GJZGRUSLSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[C@H](CCO)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000094948576 522146190 /nfs/dbraw/zinc/14/61/90/522146190.db2.gz SAHMAJNHMUCPKP-DOMZBBRYSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183958395 524576522 /nfs/dbraw/zinc/57/65/22/524576522.db2.gz HELKNPCXFHISTM-NSHDSACASA-N 1 0 291.376 3.287 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC2(N(C)C)CCC2)cccc1[N+](=O)[O-] ZINC000275659585 525895117 /nfs/dbraw/zinc/89/51/17/525895117.db2.gz FXIVLBCFOOLESR-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO CC1(F)CC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000449371258 528015331 /nfs/dbraw/zinc/01/53/31/528015331.db2.gz SBEFTIGMHBTMRD-XQRVVYSFSA-N 1 0 264.300 3.088 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000449408531 528099628 /nfs/dbraw/zinc/09/96/28/528099628.db2.gz OIXOKVQABNXSGY-UHFFFAOYSA-N 1 0 294.395 3.216 20 5 CGBDRO CCC[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000449378284 528151495 /nfs/dbraw/zinc/15/14/95/528151495.db2.gz QPHGVRKFPQUELR-RCBBPTIPSA-N 1 0 292.379 3.403 20 5 CGBDRO CC(C)SCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449318186 528321115 /nfs/dbraw/zinc/32/11/15/528321115.db2.gz FQNJFEOGCCGKBS-LBPRGKRZSA-N 1 0 282.409 3.257 20 5 CGBDRO CC[NH2+]Cc1ccccc1NCc1csc([N+](=O)[O-])c1 ZINC000414870603 528359982 /nfs/dbraw/zinc/35/99/82/528359982.db2.gz SFAKLOBZMZTYHN-UHFFFAOYSA-N 1 0 291.376 3.378 20 5 CGBDRO CC(C)[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449061583 528971940 /nfs/dbraw/zinc/97/19/40/528971940.db2.gz GRNBHIMVSUNGKC-RYUDHWBXSA-N 1 0 250.342 3.160 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163911697 529200511 /nfs/dbraw/zinc/20/05/11/529200511.db2.gz TYRCSTGHWAFXJA-XHDPSFHLSA-N 1 0 288.351 3.130 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000464841232 535021157 /nfs/dbraw/zinc/02/11/57/535021157.db2.gz CDVIQRSZVKVHNQ-CHWSQXEVSA-N 1 0 292.379 3.470 20 5 CGBDRO CC(C)[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccnc1 ZINC000125720375 535073770 /nfs/dbraw/zinc/07/37/70/535073770.db2.gz OLUMBHLZHUVDGJ-UHFFFAOYSA-N 1 0 299.374 3.443 20 5 CGBDRO CC1=C(C)C[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000483378998 535233704 /nfs/dbraw/zinc/23/37/04/535233704.db2.gz GBQOLIWAAXEZJA-UHFFFAOYSA-N 1 0 276.336 3.016 20 5 CGBDRO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])CC1CC1 ZINC000746670201 572889228 /nfs/dbraw/zinc/88/92/28/572889228.db2.gz DXBMGAASXJDVCK-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000747222385 572919384 /nfs/dbraw/zinc/91/93/84/572919384.db2.gz AUQFLBMDQFBFFP-QWRGUYRKSA-N 1 0 297.786 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1NCC12CCC[NH+]1CCC2 ZINC000804680310 617791897 /nfs/dbraw/zinc/79/18/97/617791897.db2.gz WYWXXYXULZQAIT-UHFFFAOYSA-N 1 0 295.770 3.289 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000934396575 618615950 /nfs/dbraw/zinc/61/59/50/618615950.db2.gz QBRIUENQSBDQFZ-IUODEOHRSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934779468 618688233 /nfs/dbraw/zinc/68/82/33/618688233.db2.gz SAJWCMFHXDWXGB-LNSITVRQSA-N 1 0 292.404 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2C2CC2)c(Cl)c1 ZINC000840887102 618896252 /nfs/dbraw/zinc/89/62/52/618896252.db2.gz IKXRWCUCEIPCDD-UHFFFAOYSA-N 1 0 292.726 3.392 20 5 CGBDRO CC[C@H](C[C@@](C)(O)CC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925643592 619102901 /nfs/dbraw/zinc/10/29/01/619102901.db2.gz XBDXFWMSROEIMU-ZBFHGGJFSA-N 1 0 294.395 3.057 20 5 CGBDRO C[NH+](C)CC[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000895325311 619805788 /nfs/dbraw/zinc/80/57/88/619805788.db2.gz PHHJVFPBBYQQAY-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@H](CF)C1 ZINC000895572065 619851890 /nfs/dbraw/zinc/85/18/90/619851890.db2.gz DYZHANRUUJEDOZ-WEKMIXOTSA-N 1 0 278.327 3.290 20 5 CGBDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]1C ZINC000752076889 620272765 /nfs/dbraw/zinc/27/27/65/620272765.db2.gz SUOMNUAENHKSAE-AOOOYVTPSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000897460267 620339822 /nfs/dbraw/zinc/33/98/22/620339822.db2.gz GGMFABDQULSQTL-CKYFFXLPSA-N 1 0 284.306 3.332 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000147660845 620343140 /nfs/dbraw/zinc/34/31/40/620343140.db2.gz WSOTWZZPDVHQCG-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO CSCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000130200346 620350520 /nfs/dbraw/zinc/35/05/20/620350520.db2.gz SZZGNYPZZUFXNP-SNVBAGLBSA-N 1 0 268.382 3.134 20 5 CGBDRO CC1(C)CCC[C@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000898049514 620465463 /nfs/dbraw/zinc/46/54/63/620465463.db2.gz IBECJNMDZCPPHF-LLVKDONJSA-N 1 0 284.381 3.094 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000927027859 620564390 /nfs/dbraw/zinc/56/43/90/620564390.db2.gz OISQHQFXQKRVMI-TZMCWYRMSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000901642683 620959746 /nfs/dbraw/zinc/95/97/46/620959746.db2.gz MHINZKKTOAZMPV-OLZOCXBDSA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@@H](C[NH2+]C(C1CC1)C1CC1)c1ccccc1[N+](=O)[O-] ZINC000903245456 621637062 /nfs/dbraw/zinc/63/70/62/621637062.db2.gz MFMILACIKGGPCI-NSHDSACASA-N 1 0 274.364 3.477 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000903245141 621637359 /nfs/dbraw/zinc/63/73/59/621637359.db2.gz IULCKNUHDKAGRP-GHMZBOCLSA-N 1 0 288.351 3.081 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000903260506 621647341 /nfs/dbraw/zinc/64/73/41/621647341.db2.gz VTMYRDBGFIQPMB-XEZPLFJOSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C/C=C\Cl)cccc1[N+](=O)[O-] ZINC000903443218 621754163 /nfs/dbraw/zinc/75/41/63/621754163.db2.gz DGFXOPNGWTZJBL-VAWSOJLPSA-N 1 0 254.717 3.306 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C\Cl)C1CC1 ZINC000903443898 621755384 /nfs/dbraw/zinc/75/53/84/621755384.db2.gz LMHJVLKKTATSGG-SYAFZNNESA-N 1 0 280.755 3.258 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C/C=C\Cl)cc([N+](=O)[O-])c1 ZINC000903444759 621756156 /nfs/dbraw/zinc/75/61/56/621756156.db2.gz QRCBGUSWJJYXMX-ZBJFTSOASA-N 1 0 270.716 3.007 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCOC23CCCCC3)c1 ZINC000924855215 622743044 /nfs/dbraw/zinc/74/30/44/622743044.db2.gz WHCUJCBKEICFLD-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC(F)(F)F)c1 ZINC000063099390 623297168 /nfs/dbraw/zinc/29/71/68/623297168.db2.gz KCRHKQCNULGHHH-UHFFFAOYSA-N 1 0 282.649 3.290 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000174265588 623376235 /nfs/dbraw/zinc/37/62/35/623376235.db2.gz IJEZVCFMLHZQJN-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO CC(C)(/C=C\Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922651503 626026716 /nfs/dbraw/zinc/02/67/16/626026716.db2.gz WOFRQPPRTKVMOU-FPLPWBNLSA-N 1 0 254.717 3.216 20 5 CGBDRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCCO1 ZINC000922816210 626050471 /nfs/dbraw/zinc/05/04/71/626050471.db2.gz HMZAUCWRBRPWPG-BVBGJJFLSA-N 1 0 290.363 3.157 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000839147088 626317018 /nfs/dbraw/zinc/31/70/18/626317018.db2.gz CPEQHKZYGBOYTL-BETUJISGSA-N 1 0 298.770 3.294 20 5 CGBDRO CO[C@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774833319 628035887 /nfs/dbraw/zinc/03/58/87/628035887.db2.gz RNLMHIVEDBJKOY-YGRLFVJLSA-N 1 0 298.770 3.153 20 5 CGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCCC1 ZINC000776277566 628188390 /nfs/dbraw/zinc/18/83/90/628188390.db2.gz QLQSOTXBQRAZJJ-MRXNPFEDSA-N 1 0 292.379 3.283 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608409 629069273 /nfs/dbraw/zinc/06/92/73/629069273.db2.gz NVWGQUICQJDCCI-WDEREUQCSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788758959 629079679 /nfs/dbraw/zinc/07/96/79/629079679.db2.gz SNNDNNCYNUXEOF-CKYFFXLPSA-N 1 0 263.341 3.016 20 5 CGBDRO Cc1cc(NC[C@H](C)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000813613594 631445030 /nfs/dbraw/zinc/44/50/30/631445030.db2.gz FSGDUPNHYOPILX-VIFPVBQESA-N 1 0 285.775 3.166 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)C1 ZINC000815583680 631800311 /nfs/dbraw/zinc/80/03/11/631800311.db2.gz LRQNULKPGJLZGB-YUSALJHKSA-N 1 0 295.408 3.112 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000818617209 632341788 /nfs/dbraw/zinc/34/17/88/632341788.db2.gz ACDQLBYCLOXQAT-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000866583986 633204101 /nfs/dbraw/zinc/20/41/01/633204101.db2.gz WGJWKRYMUYVZJS-FRRDWIJNSA-N 1 0 292.404 3.341 20 5 CGBDRO CC[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824743396 633281569 /nfs/dbraw/zinc/28/15/69/633281569.db2.gz BAHOUXSFESRMCK-CYBMUJFWSA-N 1 0 286.759 3.153 20 5 CGBDRO COC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872016510 633936651 /nfs/dbraw/zinc/93/66/51/633936651.db2.gz KKVQBTRTHLHWKZ-UWVGGRQHSA-N 1 0 284.381 3.002 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccn1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017349 633938908 /nfs/dbraw/zinc/93/89/08/633938908.db2.gz ZUAOHSQZYAZGKO-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CCOC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872066084 633988840 /nfs/dbraw/zinc/98/88/40/633988840.db2.gz JVTIODRXTLTJGV-WCQYABFASA-N 1 0 298.358 3.446 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088228 634014397 /nfs/dbraw/zinc/01/43/97/634014397.db2.gz MCOQKOWQVLGEDO-MNOVXSKESA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000872129808 634050898 /nfs/dbraw/zinc/05/08/98/634050898.db2.gz UZRXQUNVUNNYPZ-LERXQTSPSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1noc(C)c1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873022257 634233031 /nfs/dbraw/zinc/23/30/31/634233031.db2.gz LSQFLQBEANMDAI-UHFFFAOYSA-N 1 0 289.335 3.106 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873101032 634246536 /nfs/dbraw/zinc/24/65/36/634246536.db2.gz MAQHSRANRRHFAN-CZUORRHYSA-N 1 0 292.379 3.116 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000873139055 634257395 /nfs/dbraw/zinc/25/73/95/634257395.db2.gz RXFUODJVVRFWLO-JJLQDPRZSA-N 1 0 260.337 3.100 20 5 CGBDRO CC[C@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873184004 634273204 /nfs/dbraw/zinc/27/32/04/634273204.db2.gz WZHGRKLWZVEMGQ-MCIONIFRSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834907885 634283426 /nfs/dbraw/zinc/28/34/26/634283426.db2.gz FMGRLTIBTSSPHU-VIFPVBQESA-N 1 0 299.321 3.263 20 5 CGBDRO C[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCCC1 ZINC000877057736 634965791 /nfs/dbraw/zinc/96/57/91/634965791.db2.gz MTHUZYMBGWKXCY-LMWSTFAQSA-N 1 0 292.383 3.053 20 5 CGBDRO CO[C@H]1CCC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877196663 635011845 /nfs/dbraw/zinc/01/18/45/635011845.db2.gz GJYVBBMRQYLGRL-AWEZNQCLSA-N 1 0 292.379 3.213 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCC3CC3)nc2c1 ZINC000877730270 635166078 /nfs/dbraw/zinc/16/60/78/635166078.db2.gz SYAWPNVRCJFUTC-UHFFFAOYSA-N 1 0 289.335 3.406 20 5 CGBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000843418961 635663040 /nfs/dbraw/zinc/66/30/40/635663040.db2.gz MMDUDNKMQURBIO-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CCCC[C@@H](COC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000130639315 636485730 /nfs/dbraw/zinc/48/57/30/636485730.db2.gz AMGJRDBIHKQNSI-AWEZNQCLSA-N 1 0 280.368 3.198 20 5 CGBDRO Cc1nn(C[N@H+]2CCC[C@H]2CCC(C)C)c(C)c1[N+](=O)[O-] ZINC000130657020 636490955 /nfs/dbraw/zinc/49/09/55/636490955.db2.gz NCANEUZJWKJHCO-AWEZNQCLSA-N 1 0 294.399 3.266 20 5 CGBDRO COC[C@H](CO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000883108244 636542300 /nfs/dbraw/zinc/54/23/00/636542300.db2.gz AOJCGVVAZOQGRF-INIZCTEOSA-N 1 0 295.382 3.090 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C(C)(C)C1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850551350 637117346 /nfs/dbraw/zinc/11/73/46/637117346.db2.gz HDGPVQQIDPUQNK-QPUJVOFHSA-N 1 0 299.321 3.119 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]12 ZINC000885954353 637329602 /nfs/dbraw/zinc/32/96/02/637329602.db2.gz VPEKVDFIMUJJFT-VHDGCEQUSA-N 1 0 289.379 3.390 20 5 CGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCC(C)(C)CC1 ZINC000886037339 637378432 /nfs/dbraw/zinc/37/84/32/637378432.db2.gz IERSBDSMEDGNKX-UHFFFAOYSA-N 1 0 277.368 3.390 20 5 CGBDRO Cc1coc(CN[C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000886057792 637392246 /nfs/dbraw/zinc/39/22/46/637392246.db2.gz XNPJCGRLCQCPOY-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886106735 637415664 /nfs/dbraw/zinc/41/56/64/637415664.db2.gz CAROQEIAINEMKN-CQSZACIVSA-N 1 0 271.320 3.231 20 5 CGBDRO Cc1cc(C)cc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1 ZINC000886112303 637419367 /nfs/dbraw/zinc/41/93/67/637419367.db2.gz UTMPJILBIJSZGN-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC(C2CCC2)CC1 ZINC000886277322 637479991 /nfs/dbraw/zinc/47/99/91/637479991.db2.gz NHWJKSUANWEECW-UHFFFAOYSA-N 1 0 275.352 3.002 20 5 CGBDRO CC(C)([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCOCC1 ZINC000851994591 637567078 /nfs/dbraw/zinc/56/70/78/637567078.db2.gz QQODXUZJPGFABI-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560088 637581917 /nfs/dbraw/zinc/58/19/17/637581917.db2.gz MZFRNGMPBSNKNW-PHIMTYICSA-N 1 0 298.795 3.043 20 5 CGBDRO CC(C)CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000852683023 637695737 /nfs/dbraw/zinc/69/57/37/637695737.db2.gz QKPUDINYEIFOCO-UHFFFAOYSA-N 1 0 293.323 3.171 20 5 CGBDRO CCC[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000853086295 637753354 /nfs/dbraw/zinc/75/33/54/637753354.db2.gz JZVUSGCORMDNNL-UHFFFAOYSA-N 1 0 299.321 3.064 20 5 CGBDRO C[N@H+](CCCF)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000887138860 637756258 /nfs/dbraw/zinc/75/62/58/637756258.db2.gz PBWOFCITJICJES-UHFFFAOYSA-N 1 0 260.696 3.040 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000858205944 638657091 /nfs/dbraw/zinc/65/70/91/638657091.db2.gz FPEIREZXDFOHDF-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000927023214 638832939 /nfs/dbraw/zinc/83/29/39/638832939.db2.gz COHITJPYRVQUQC-STQMWFEESA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000927025196 638833402 /nfs/dbraw/zinc/83/34/02/638833402.db2.gz BKYNMLSHUYXMHA-UHIISALHSA-N 1 0 292.404 3.456 20 5 CGBDRO COC[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000927094528 638840978 /nfs/dbraw/zinc/84/09/78/638840978.db2.gz NVSLVQIYGRMNBT-DOMZBBRYSA-N 1 0 292.379 3.090 20 5 CGBDRO C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000927166230 638849612 /nfs/dbraw/zinc/84/96/12/638849612.db2.gz XAMAQVFNWFZSHY-WFASDCNBSA-N 1 0 290.363 3.347 20 5 CGBDRO CSCC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000932592224 639364356 /nfs/dbraw/zinc/36/43/56/639364356.db2.gz PZTCDXZHKBURAZ-UHFFFAOYSA-N 1 0 280.393 3.170 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CCO)C1CCCC1)c1ccccc1[N+](=O)[O-] ZINC000934011076 639525338 /nfs/dbraw/zinc/52/53/38/639525338.db2.gz JGEQWWPUYWRXFY-DOMZBBRYSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H](Cc1cccnc1)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000934233242 639565480 /nfs/dbraw/zinc/56/54/80/639565480.db2.gz IIRSVCBCDVWVQC-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H](c1ccncc1)C1CC1 ZINC000934688152 639656988 /nfs/dbraw/zinc/65/69/88/639656988.db2.gz SPTFLJPRYKNNBE-INIZCTEOSA-N 1 0 283.331 3.231 20 5 CGBDRO CC[NH+](CC)CCCNCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439661 640606815 /nfs/dbraw/zinc/60/68/15/640606815.db2.gz PAWWZVGETWADNF-UHFFFAOYSA-N 1 0 299.802 3.070 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000091661540 640717643 /nfs/dbraw/zinc/71/76/43/640717643.db2.gz SKJHOBNFLFNZEF-OAHLLOKOSA-N 1 0 283.331 3.157 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000252122995 640838384 /nfs/dbraw/zinc/83/83/84/640838384.db2.gz JPUOODSPAPTRSP-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC1(C)CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000097603008 640871090 /nfs/dbraw/zinc/87/10/90/640871090.db2.gz GZTBIIMBZRDEKL-HNNXBMFYSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc(C3CC[NH2+]CC3)cc2)cn1 ZINC001159598188 806127616 /nfs/dbraw/zinc/12/76/16/806127616.db2.gz JKZNRBDIPRHAID-UHFFFAOYSA-N 1 0 298.346 3.200 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2cccc(C3CC[NH2+]CC3)c2)cn1 ZINC001159758091 806166991 /nfs/dbraw/zinc/16/69/91/806166991.db2.gz VNYAUNQYNGTVOA-UHFFFAOYSA-N 1 0 298.346 3.200 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)C[C@@H]([NH3+])C2 ZINC001159833432 806183970 /nfs/dbraw/zinc/18/39/70/806183970.db2.gz XQOICFNCQPIBDW-ZDUSSCGKSA-N 1 0 283.331 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC001254550279 806447354 /nfs/dbraw/zinc/44/73/54/806447354.db2.gz HCKSHZGFJGZAOJ-OLZOCXBDSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001254550557 806448398 /nfs/dbraw/zinc/44/83/98/806448398.db2.gz LRYIYPQUYKQCOS-STQMWFEESA-N 1 0 262.353 3.400 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553094 806449869 /nfs/dbraw/zinc/44/98/69/806449869.db2.gz SCLZJBMQGPCFKH-UKRRQHHQSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(CCC2)C1 ZINC001254552044 806450112 /nfs/dbraw/zinc/45/01/12/806450112.db2.gz IJHIBKOBKJLWQR-LBPRGKRZSA-N 1 0 260.337 3.012 20 5 CGBDRO CC[C@H](C)C[C@H](C)[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254575360 806454080 /nfs/dbraw/zinc/45/40/80/806454080.db2.gz QALBTCDPEKMBSL-HUBLWGQQSA-N 1 0 276.380 3.476 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254577722 806454164 /nfs/dbraw/zinc/45/41/64/806454164.db2.gz GOHVRDPHVGMSMU-DZGCQCFKSA-N 1 0 274.364 3.230 20 5 CGBDRO C[C@H]1[NH2+]CC[C@H]1Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001162676852 806646661 /nfs/dbraw/zinc/64/66/61/806646661.db2.gz YUYGWXZYUVPCRY-SJKOYZFVSA-N 1 0 297.358 3.424 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCCCC1 ZINC000036722084 798851051 /nfs/dbraw/zinc/85/10/51/798851051.db2.gz QZZLHTOCJRGXBD-UHFFFAOYSA-N 1 0 264.325 3.026 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562500 798869145 /nfs/dbraw/zinc/86/91/45/798869145.db2.gz BZTUSTGZHYUQLL-MWLCHTKSSA-N 1 0 254.355 3.325 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@H](C)O1 ZINC000686507221 799734872 /nfs/dbraw/zinc/73/48/72/799734872.db2.gz PGDDSFIBPQJPIL-VWYCJHECSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1c(C[NH2+]CC[C@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000691630362 799786945 /nfs/dbraw/zinc/78/69/45/799786945.db2.gz FQIWRGRSBCMKCH-NSHDSACASA-N 1 0 270.279 3.038 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(F)F ZINC000697111252 799842199 /nfs/dbraw/zinc/84/21/99/799842199.db2.gz XNBBQPBNMRPQMZ-UHFFFAOYSA-N 1 0 272.295 3.366 20 5 CGBDRO CCSC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000700943063 799883082 /nfs/dbraw/zinc/88/30/82/799883082.db2.gz RYDYVLHCLHYGMG-UHFFFAOYSA-N 1 0 280.393 3.279 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000701049132 799884617 /nfs/dbraw/zinc/88/46/17/799884617.db2.gz DTDLTHQJYZYCHB-PUXPGTEJSA-N 1 0 298.770 3.150 20 5 CGBDRO CSC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000708299778 799985313 /nfs/dbraw/zinc/98/53/13/799985313.db2.gz CYCWJJNGDRRTEV-UHFFFAOYSA-N 1 0 286.784 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C=CCC2)c(Cl)c1 ZINC000711683695 800069320 /nfs/dbraw/zinc/06/93/20/800069320.db2.gz DSUBIASTKUWEGZ-SNVBAGLBSA-N 1 0 266.728 3.304 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000718815863 800224692 /nfs/dbraw/zinc/22/46/92/800224692.db2.gz WIRMHXALTDFOGF-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CC3)CC2)cc1F ZINC000724811590 800366779 /nfs/dbraw/zinc/36/67/79/800366779.db2.gz KJWNLEHWKOVGLM-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@H]3CCC[C@H](F)C3)nc2c1 ZINC001119304272 802645514 /nfs/dbraw/zinc/64/55/14/802645514.db2.gz RHCDPTOZGFXRTA-UWVGGRQHSA-N 1 0 293.298 3.106 20 5 CGBDRO [NH3+]Cc1cnccc1-c1ccnc2c1ccc1cccnc12 ZINC001245561812 803815803 /nfs/dbraw/zinc/81/58/03/803815803.db2.gz WGVLGSOSNAPVNP-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO Cc1c[nH+]ccc1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001248590474 804958595 /nfs/dbraw/zinc/95/85/95/804958595.db2.gz LYDGMEWQJVQJKP-UHFFFAOYSA-N 1 0 263.684 3.117 20 5 CGBDRO [NH3+]Cc1cnn(-c2nc3ccccc3c3ccccc32)c1 ZINC001168262204 807367945 /nfs/dbraw/zinc/36/79/45/807367945.db2.gz XTQOPPAZURMGFW-UHFFFAOYSA-N 1 0 274.327 3.032 20 5 CGBDRO CCCOc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168978928 807546110 /nfs/dbraw/zinc/54/61/10/807546110.db2.gz VMGTZBPXAMPJIL-CABCVRRESA-N 1 0 292.379 3.010 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168988594 807547894 /nfs/dbraw/zinc/54/78/94/807547894.db2.gz SSORLSJQWCDFDJ-GXTWGEPZSA-N 1 0 268.401 3.380 20 5 CGBDRO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C2(C)C ZINC001168997594 807548863 /nfs/dbraw/zinc/54/88/63/807548863.db2.gz DRGULIUNIICFIU-XWSJDDSLSA-N 1 0 280.412 3.092 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168992842 807549501 /nfs/dbraw/zinc/54/95/01/807549501.db2.gz LDNGNFUGAFJAHE-NWDGAFQWSA-N 1 0 280.343 3.096 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC001169006236 807550716 /nfs/dbraw/zinc/55/07/16/807550716.db2.gz WVAZNCGXEZWHGD-KMFMINBZSA-N 1 0 288.391 3.489 20 5 CGBDRO CC(C)(C)C1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169008697 807551869 /nfs/dbraw/zinc/55/18/69/807551869.db2.gz UCPYGURJIQCJAY-JSGCOSHPSA-N 1 0 268.401 3.190 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC001169023424 807554684 /nfs/dbraw/zinc/55/46/84/807554684.db2.gz TXSSCWKGZLBNKP-PBHICJAKSA-N 1 0 288.391 3.311 20 5 CGBDRO CC[N@H+](Cc1cccs1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039796 807557127 /nfs/dbraw/zinc/55/71/27/807557127.db2.gz UBIRATXVKBRBBY-NEPJUHHUSA-N 1 0 268.382 3.015 20 5 CGBDRO CN(c1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)C(C)(C)C[NH3+] ZINC001170059955 807743655 /nfs/dbraw/zinc/74/36/55/807743655.db2.gz ZODNHJWBLJTYET-UHFFFAOYSA-N 1 0 299.374 3.435 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H](F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001261481932 807748554 /nfs/dbraw/zinc/74/85/54/807748554.db2.gz VHQJDEABWQMCJA-DLOVCJGASA-N 1 0 281.331 3.108 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCCc3ncccc32)cc1[N+](=O)[O-] ZINC001261852863 807794643 /nfs/dbraw/zinc/79/46/43/807794643.db2.gz QNAKIBKKVMMVNF-INIZCTEOSA-N 1 0 297.358 3.465 20 5 CGBDRO CC/C=C/[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170313555 807824338 /nfs/dbraw/zinc/82/43/38/807824338.db2.gz ONYCLKIHJPPONT-AYLMVEPYSA-N 1 0 264.325 3.048 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173190014 808533280 /nfs/dbraw/zinc/53/32/80/808533280.db2.gz TYWXXDCSPWFPLW-MNOVXSKESA-N 1 0 298.358 3.452 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH+]2CCCCC2)c1F ZINC001173187087 808533497 /nfs/dbraw/zinc/53/34/97/808533497.db2.gz WNYLDJCKPPJPHJ-LLVKDONJSA-N 1 0 296.342 3.159 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@H]2CC2(C)C)c1F ZINC001173192778 808533730 /nfs/dbraw/zinc/53/37/30/808533730.db2.gz RARXZNGLFIHCBV-ZANVPECISA-N 1 0 296.342 3.062 20 5 CGBDRO Cc1ncc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173209601 808537097 /nfs/dbraw/zinc/53/70/97/808537097.db2.gz DKGHWUCWBUSSBG-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1ccncc1 ZINC001173209545 808537418 /nfs/dbraw/zinc/53/74/18/808537418.db2.gz CUVPBVCOWAHGNM-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212919 808538638 /nfs/dbraw/zinc/53/86/38/808538638.db2.gz CTBVYRYKSFHZFI-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222962 808539993 /nfs/dbraw/zinc/53/99/93/808539993.db2.gz VVJMSKBDMNBINZ-BBRMVZONSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(CF)CC1 ZINC001173226355 808541646 /nfs/dbraw/zinc/54/16/46/808541646.db2.gz IWRXGHRMKBEDQU-GFCCVEGCSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CCC2 ZINC001173226724 808541912 /nfs/dbraw/zinc/54/19/12/808541912.db2.gz YYUKHMORMKDLSX-FZMZJTMJSA-N 1 0 260.337 3.058 20 5 CGBDRO Cc1ncccc1C[N@@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173229945 808542833 /nfs/dbraw/zinc/54/28/33/808542833.db2.gz CEBNCOZBGIWJBB-ZDUSSCGKSA-N 1 0 299.374 3.361 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1COc2ccccc21 ZINC001173236128 808544438 /nfs/dbraw/zinc/54/44/38/808544438.db2.gz XDRCDBFIUWKQHQ-LRDDRELGSA-N 1 0 298.342 3.249 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001183144864 810138420 /nfs/dbraw/zinc/13/84/20/810138420.db2.gz DBXFRFHLEPHHQL-UBHSHLNASA-N 1 0 294.420 3.400 20 5 CGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC001184998935 810228220 /nfs/dbraw/zinc/22/82/20/810228220.db2.gz IYEIVZXQBCAJLW-TUAOUCFPSA-N 1 0 297.424 3.435 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)c1 ZINC001186790593 810362427 /nfs/dbraw/zinc/36/24/27/810362427.db2.gz JIXIOROBRJZQTA-ZIAGYGMSSA-N 1 0 277.368 3.044 20 5 CGBDRO Cc1ccc(Nc2c[nH+]ccc2N(C)C)c([N+](=O)[O-])c1 ZINC001214165231 815374728 /nfs/dbraw/zinc/37/47/28/815374728.db2.gz OODVDELASKTVEE-UHFFFAOYSA-N 1 0 272.308 3.108 20 5 CGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001192481663 810802264 /nfs/dbraw/zinc/80/22/64/810802264.db2.gz OLIIVGHQEBTFRS-CYBMUJFWSA-N 1 0 292.379 3.342 20 5 CGBDRO CCOC1CC([N@H+](C)Cc2c(C)ccc([N+](=O)[O-])c2C)C1 ZINC001206055384 813184835 /nfs/dbraw/zinc/18/48/35/813184835.db2.gz KBPJGCLCCGULLQ-UHFFFAOYSA-N 1 0 292.379 3.211 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCCc1cccc2ccccc21 ZINC001206111889 813202816 /nfs/dbraw/zinc/20/28/16/813202816.db2.gz MMGNUEPQJMWEPN-HNNXBMFYSA-N 1 0 272.412 3.494 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001218028883 816063747 /nfs/dbraw/zinc/06/37/47/816063747.db2.gz YBAKGUKYJSEEKO-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001218034471 816066133 /nfs/dbraw/zinc/06/61/33/816066133.db2.gz PFDMILLKRDABEM-QMTHXVAHSA-N 1 0 292.379 3.287 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218092239 816093872 /nfs/dbraw/zinc/09/38/72/816093872.db2.gz QMGUPFXQJTZVEX-KBPBESRZSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CC2(C1)CC[NH2+]CC2 ZINC001218105309 816101174 /nfs/dbraw/zinc/10/11/74/816101174.db2.gz YJQLFXGJNGKPCX-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@H](Oc1cccc2cc3ccccc3nc21)C1C[NH2+]C1 ZINC001218195590 816123087 /nfs/dbraw/zinc/12/30/87/816123087.db2.gz QUBFWPZGXCQVMT-LBPRGKRZSA-N 1 0 278.355 3.375 20 5 CGBDRO C[C@@H](Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC001218198670 816124627 /nfs/dbraw/zinc/12/46/27/816124627.db2.gz OXIZGYDMSUDEAE-GFCCVEGCSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC2(C)C)c(C)c(C)c1[N+](=O)[O-] ZINC001218317936 816165261 /nfs/dbraw/zinc/16/52/61/816165261.db2.gz RYYQVFANCVRDIC-CQSZACIVSA-N 1 0 292.379 3.287 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@H]3C=CC[NH2+]C3)cc2c1 ZINC001218332501 816170139 /nfs/dbraw/zinc/17/01/39/816170139.db2.gz XCSOIXKVOKJQDQ-HNNXBMFYSA-N 1 0 276.339 3.295 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218491327 816245512 /nfs/dbraw/zinc/24/55/12/816245512.db2.gz WMPKAEKJVUJYJC-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1c(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC001223331852 816607055 /nfs/dbraw/zinc/60/70/55/816607055.db2.gz PMZOGQOYHCODBR-QDMKHBRRSA-N 1 0 290.363 3.045 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](O[C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223428067 816628861 /nfs/dbraw/zinc/62/88/61/816628861.db2.gz BTRAWLXUFXXMHE-DOMZBBRYSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](OCCC[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC001224744404 816870524 /nfs/dbraw/zinc/87/05/24/816870524.db2.gz LGXULEZCEJVHCI-ZDUSSCGKSA-N 1 0 278.352 3.158 20 5 CGBDRO Cc1ccc2cccc(O[C@H](C)C[N+](C)(C)C)c2n1 ZINC001225476261 817065739 /nfs/dbraw/zinc/06/57/39/817065739.db2.gz QYGLLPIBLURQCV-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO Cc1ccnc2c(O[C@@H](C)C[N+](C)(C)C)cccc12 ZINC001225495598 817075163 /nfs/dbraw/zinc/07/51/63/817075163.db2.gz FOAVZFZFOAKZJH-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc(Br)c1 ZINC001225718897 817154574 /nfs/dbraw/zinc/15/45/74/817154574.db2.gz WASLAAOMWNYWSI-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761756 817456353 /nfs/dbraw/zinc/45/63/53/817456353.db2.gz DYBVFDUSEQDRTM-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC001226953239 817516243 /nfs/dbraw/zinc/51/62/43/817516243.db2.gz WSULKQNNNBDJMM-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC001228198097 817837322 /nfs/dbraw/zinc/83/73/22/817837322.db2.gz FEFWPBNZBBCAKL-ZETCQYMHSA-N 1 0 293.150 3.231 20 5 CGBDRO CSc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001228470438 817914530 /nfs/dbraw/zinc/91/45/30/817914530.db2.gz LUIKHNHHUWBYKH-LBPRGKRZSA-N 1 0 254.419 3.190 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2c(C)cc([N+](=O)[O-])cc2C)C1 ZINC001228570624 817941310 /nfs/dbraw/zinc/94/13/10/817941310.db2.gz GCJMMZVOFFEMNW-AWEZNQCLSA-N 1 0 278.352 3.075 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758842 818000772 /nfs/dbraw/zinc/00/07/72/818000772.db2.gz MZHFSPPUHLTDPE-LLVKDONJSA-N 1 0 284.743 3.110 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c2ncccc2c1 ZINC001231392888 818090970 /nfs/dbraw/zinc/09/09/70/818090970.db2.gz CGDGXZVDTBPYMD-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cc(F)c(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001234062239 818771419 /nfs/dbraw/zinc/77/14/19/818771419.db2.gz ZDQZIKMTWKRSAC-GFCCVEGCSA-N 1 0 296.342 3.294 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCCC(F)F ZINC001355344708 937137400 /nfs/dbraw/zinc/13/74/00/937137400.db2.gz DMRUWNXSMLJNKE-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO C[NH+](C)C1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229377624 927342557 /nfs/dbraw/zinc/34/25/57/927342557.db2.gz PBFWVNIRTOXUDH-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC001559769773 937211072 /nfs/dbraw/zinc/21/10/72/937211072.db2.gz SGSDWOQDCREPTE-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1cccnc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC001460940407 937554937 /nfs/dbraw/zinc/55/49/37/937554937.db2.gz VQCCHOPJPUSKCQ-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO CCC(O)(CC)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461432611 937581022 /nfs/dbraw/zinc/58/10/22/937581022.db2.gz ARPZBNSQESLEMW-UHFFFAOYSA-N 1 0 294.395 3.242 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])cc1Cl ZINC001229974477 932513630 /nfs/dbraw/zinc/51/36/30/932513630.db2.gz GFZPXRAACCPFPW-LLVKDONJSA-N 1 0 298.770 3.420 20 5 CGBDRO Cc1cc(O[C@@H]2C[NH+]3CCC2CC3)c([N+](=O)[O-])cc1Cl ZINC001229974764 932513690 /nfs/dbraw/zinc/51/36/90/932513690.db2.gz INOMIAGKAKCZMP-CQSZACIVSA-N 1 0 296.754 3.030 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229975200 932515435 /nfs/dbraw/zinc/51/54/35/932515435.db2.gz MKBDQDYKAIKHRQ-LLVKDONJSA-N 1 0 298.770 3.420 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001230723596 932615020 /nfs/dbraw/zinc/61/50/20/932615020.db2.gz LZFFMIMYOQHFTN-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001231061948 932670132 /nfs/dbraw/zinc/67/01/32/932670132.db2.gz WLDCBCAOWBWVFB-CQSZACIVSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001307616301 932977921 /nfs/dbraw/zinc/97/79/21/932977921.db2.gz JTJHRJOZYSMPQN-OCCSQVGLSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC001340607791 933278303 /nfs/dbraw/zinc/27/83/03/933278303.db2.gz LACZLAWNGCLACY-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CC[NH+](C(C)(C)C)CC1 ZINC001318853891 933786895 /nfs/dbraw/zinc/78/68/95/933786895.db2.gz QBMZYZNGSJQIPH-ZDUSSCGKSA-N 1 0 291.395 3.072 20 5 CGBDRO Cc1ccc(NC[C@H](CC(C)C)[NH+](C)C)c([N+](=O)[O-])c1 ZINC001472650642 937779283 /nfs/dbraw/zinc/77/92/83/937779283.db2.gz ZLKUGZUKPHNVND-ZDUSSCGKSA-N 1 0 279.384 3.291 20 5 CGBDRO CC(C)(C)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001326377496 934974766 /nfs/dbraw/zinc/97/47/66/934974766.db2.gz KHVKRDYAEUUYAI-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC[C@@H]3C[C@@H]3C1)C2 ZINC001329878016 935250763 /nfs/dbraw/zinc/25/07/63/935250763.db2.gz KIOBFQBBMVCPRB-BZPMIXESSA-N 1 0 272.348 3.347 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(F)F ZINC001333150932 935513958 /nfs/dbraw/zinc/51/39/58/935513958.db2.gz UNNOZHOEEVGGPD-VIFPVBQESA-N 1 0 290.285 3.300 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)C1CCCCCC1 ZINC001559739457 938234345 /nfs/dbraw/zinc/23/43/45/938234345.db2.gz XQRWLVNXBUCGKV-LBPRGKRZSA-N 1 0 294.399 3.048 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2c(c1)OC(C)(C)[C@@H]2C ZINC001225500986 960406475 /nfs/dbraw/zinc/40/64/75/960406475.db2.gz STORVLRLMJLFRE-CHWSQXEVSA-N 1 0 278.416 3.435 20 5 CGBDRO C[N@@H+]1CCCC(C)(C)[C@@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC001559183850 960605453 /nfs/dbraw/zinc/60/54/53/960605453.db2.gz LMBONZNNTVFSEV-AWEZNQCLSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000273083033 192038435 /nfs/dbraw/zinc/03/84/35/192038435.db2.gz QYTJMEYNRPZLPN-ZIAGYGMSSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@H](F)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000440604497 529438713 /nfs/dbraw/zinc/43/87/13/529438713.db2.gz SXRNZUJUPOJJJD-PWSUYJOCSA-N 1 0 254.305 3.302 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591062231 346898286 /nfs/dbraw/zinc/89/82/86/346898286.db2.gz YIJSETVZPOVTGP-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000358740135 529527699 /nfs/dbraw/zinc/52/76/99/529527699.db2.gz WAKJVTJNCUUMSE-LBPRGKRZSA-N 1 0 298.408 3.047 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000414192211 529609566 /nfs/dbraw/zinc/60/95/66/529609566.db2.gz HGGRNTYGAZEOPY-WFASDCNBSA-N 1 0 280.368 3.308 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000126176074 187222617 /nfs/dbraw/zinc/22/26/17/187222617.db2.gz ODPNUXRZXNDBLC-CHWSQXEVSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361698433 529654326 /nfs/dbraw/zinc/65/43/26/529654326.db2.gz HPVQSEMIUPRONH-BPUTZDHNSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449641804 529712008 /nfs/dbraw/zinc/71/20/08/529712008.db2.gz VVGKIBFGFVKDBW-INWMFGNUSA-N 1 0 294.395 3.055 20 5 CGBDRO CN(C)c1ccccc1C[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000507115508 282300760 /nfs/dbraw/zinc/30/07/60/282300760.db2.gz IOIXOAXHZSVLCK-UHFFFAOYSA-N 1 0 299.374 3.293 20 5 CGBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)CC(F)F ZINC000592372540 346979710 /nfs/dbraw/zinc/97/97/10/346979710.db2.gz IZLSFEQECQJZDN-ZETCQYMHSA-N 1 0 264.297 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cccc(F)c2)cc1 ZINC000036779566 344945038 /nfs/dbraw/zinc/94/50/38/344945038.db2.gz REDRXLIJWRKKQR-UHFFFAOYSA-N 1 0 288.322 3.109 20 5 CGBDRO CCCC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050888181 345085598 /nfs/dbraw/zinc/08/55/98/345085598.db2.gz KJPRGQUUEWHPRC-GFCCVEGCSA-N 1 0 266.341 3.142 20 5 CGBDRO Cc1csc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)n1 ZINC000063132696 345242909 /nfs/dbraw/zinc/24/29/09/345242909.db2.gz LXQWITSWOUUNMZ-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO CC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000058933347 345204314 /nfs/dbraw/zinc/20/43/14/345204314.db2.gz RCCCTRWLSWEDOI-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccncc1[N+](=O)[O-] ZINC000066809058 345306729 /nfs/dbraw/zinc/30/67/29/345306729.db2.gz CHDIRRAZQJLHRZ-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO C[C@H](Cc1cccs1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000071270538 345402369 /nfs/dbraw/zinc/40/23/69/345402369.db2.gz DZRAPJRKRWVRHM-GFCCVEGCSA-N 1 0 290.388 3.420 20 5 CGBDRO CCOC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075743812 345521591 /nfs/dbraw/zinc/52/15/91/345521591.db2.gz OVVIAUKXPJPKSI-KBPBESRZSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1csc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])n1 ZINC000080312335 345670903 /nfs/dbraw/zinc/67/09/03/345670903.db2.gz GWOPWDQVRIKXSE-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000091482703 345816549 /nfs/dbraw/zinc/81/65/49/345816549.db2.gz YZEZTRFDDMCZSR-LLVKDONJSA-N 1 0 297.786 3.310 20 5 CGBDRO CC[C@H]([NH2+]Cc1cnn(CC)c1)c1cccc([N+](=O)[O-])c1 ZINC000090224417 345785924 /nfs/dbraw/zinc/78/59/24/345785924.db2.gz VVBKYKPVHUGDFJ-HNNXBMFYSA-N 1 0 288.351 3.052 20 5 CGBDRO O=[N+]([O-])c1ccc(CNCc2ccoc2)c(Cl)c1 ZINC000168125219 232264883 /nfs/dbraw/zinc/26/48/83/232264883.db2.gz YMMTZOMAIZPJLK-UHFFFAOYSA-N 1 0 266.684 3.131 20 5 CGBDRO Cc1nc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)sc1C ZINC000094965588 345899317 /nfs/dbraw/zinc/89/93/17/345899317.db2.gz BSXIARBPPURCSX-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000102407702 345916114 /nfs/dbraw/zinc/91/61/14/345916114.db2.gz AOANUOHKBQNBMT-UHFFFAOYSA-N 1 0 274.320 3.252 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000131954713 346069538 /nfs/dbraw/zinc/06/95/38/346069538.db2.gz RKNIZBOPCAXMGF-QWHCGFSZSA-N 1 0 278.352 3.123 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CC[NH+](C2CCCCC2)CC1 ZINC000205426929 346282602 /nfs/dbraw/zinc/28/26/02/346282602.db2.gz PPLQRWCNOJNAHW-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336850507 213762299 /nfs/dbraw/zinc/76/22/99/213762299.db2.gz XVFWIUCVZHGJMS-HZPDHXFCSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235118793 346333613 /nfs/dbraw/zinc/33/36/13/346333613.db2.gz RQOQZTLKYBNURE-ZETCQYMHSA-N 1 0 292.166 3.264 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)C ZINC000339252539 215042330 /nfs/dbraw/zinc/04/23/30/215042330.db2.gz GRXJJXQZRXYGMK-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)COCC2CC2)cccc1[N+](=O)[O-] ZINC000593719765 347107811 /nfs/dbraw/zinc/10/78/11/347107811.db2.gz QZSFRHPWCRQHSK-WCQYABFASA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cccnc1 ZINC000594491149 347177865 /nfs/dbraw/zinc/17/78/65/347177865.db2.gz XBDDCHPXXNQHPQ-ABAIWWIYSA-N 1 0 283.331 3.328 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C1CCC1 ZINC000594501230 347179858 /nfs/dbraw/zinc/17/98/58/347179858.db2.gz JHZLHYSGQDURNX-QMTHXVAHSA-N 1 0 260.337 3.360 20 5 CGBDRO Cc1cncc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])c1 ZINC000594499144 347180314 /nfs/dbraw/zinc/18/03/14/347180314.db2.gz ATVPERXQPRDDRV-HNNXBMFYSA-N 1 0 283.331 3.075 20 5 CGBDRO CCC[C@H]([NH2+]CC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594513502 347185019 /nfs/dbraw/zinc/18/50/19/347185019.db2.gz ZAWJFXSLOXGCSU-HNNXBMFYSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1cnc(CC[NH2+]Cc2csc([N+](=O)[O-])c2)c(C)c1 ZINC000594519955 347188075 /nfs/dbraw/zinc/18/80/75/347188075.db2.gz HMPJSDVCCPNPOM-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000594994588 347250770 /nfs/dbraw/zinc/25/07/70/347250770.db2.gz IUQKZKODAXSONU-IXDOHACOSA-N 1 0 298.317 3.162 20 5 CGBDRO CC1(C)[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(F)F ZINC000594992675 347250883 /nfs/dbraw/zinc/25/08/83/347250883.db2.gz VODAECXAVLGFLL-SCXUMTSISA-N 1 0 296.317 3.489 20 5 CGBDRO CC1(C)[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(F)F ZINC000594992872 347251152 /nfs/dbraw/zinc/25/11/52/347251152.db2.gz ZJBGIEFQRMGQBR-NSHDSACASA-N 1 0 288.269 3.115 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000594994587 347251343 /nfs/dbraw/zinc/25/13/43/347251343.db2.gz IUQKZKODAXSONU-GVDBMIGSSA-N 1 0 298.317 3.162 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000594997193 347251755 /nfs/dbraw/zinc/25/17/55/347251755.db2.gz IRQMCUSTELISHZ-MRXNPFEDSA-N 1 0 292.379 3.280 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000594996699 347251772 /nfs/dbraw/zinc/25/17/72/347251772.db2.gz ZFYODRNEPNKRAX-OAHLLOKOSA-N 1 0 296.342 3.029 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C2CCCC2)c1[N+](=O)[O-] ZINC000595294193 347288633 /nfs/dbraw/zinc/28/86/33/347288633.db2.gz WGTADBBEOXDIFO-GFCCVEGCSA-N 1 0 279.340 3.046 20 5 CGBDRO CC[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC(C)C ZINC000595294726 347288720 /nfs/dbraw/zinc/28/87/20/347288720.db2.gz DAAGWQYTLQWSDO-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO CCCC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595299613 347289440 /nfs/dbraw/zinc/28/94/40/347289440.db2.gz WDSYYEADLDDWQZ-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000595317007 347290954 /nfs/dbraw/zinc/29/09/54/347290954.db2.gz KQZOPJKPSMILMP-GFCCVEGCSA-N 1 0 290.294 3.316 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000595413636 347299455 /nfs/dbraw/zinc/29/94/55/347299455.db2.gz DLTSYNGFUDJMSY-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C ZINC000595009680 347255888 /nfs/dbraw/zinc/25/58/88/347255888.db2.gz UWCLKPJIMFTPAC-SNVBAGLBSA-N 1 0 266.341 3.300 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000595011992 347256599 /nfs/dbraw/zinc/25/65/99/347256599.db2.gz ALQOVPOIDSTRDH-UHIISALHSA-N 1 0 278.352 3.443 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CSCCF)c1ccccc1[N+](=O)[O-] ZINC000595025373 347261027 /nfs/dbraw/zinc/26/10/27/347261027.db2.gz GWABSAIHLMFQBP-WDEREUQCSA-N 1 0 286.372 3.337 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000595029709 347262491 /nfs/dbraw/zinc/26/24/91/347262491.db2.gz XRGVOEUJJULQDZ-OCCSQVGLSA-N 1 0 290.363 3.265 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC1(C)CC1 ZINC000595052872 347271049 /nfs/dbraw/zinc/27/10/49/347271049.db2.gz JOEPKTXECNXQQB-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000595067084 347276118 /nfs/dbraw/zinc/27/61/18/347276118.db2.gz KNGNHPKOEGQHSV-NOLJZWGESA-N 1 0 290.363 3.129 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595067133 347276158 /nfs/dbraw/zinc/27/61/58/347276158.db2.gz LCNVHWZIYYUYCZ-JHJVBQTASA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000595071691 347276880 /nfs/dbraw/zinc/27/68/80/347276880.db2.gz CQBIAKPTCDHTSL-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000595072237 347277383 /nfs/dbraw/zinc/27/73/83/347277383.db2.gz HKQPFCRKWITBDE-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@H]([NH2+]CCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000595075443 347278134 /nfs/dbraw/zinc/27/81/34/347278134.db2.gz BTXFTRPRTJFYEC-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755121 347350823 /nfs/dbraw/zinc/35/08/23/347350823.db2.gz GSQBZZBRSNVFLG-AWEZNQCLSA-N 1 0 280.343 3.209 20 5 CGBDRO CCS[C@@H]1CCCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595446032 347304539 /nfs/dbraw/zinc/30/45/39/347304539.db2.gz BJQVKXMNQHJIHX-CMPLNLGQSA-N 1 0 299.396 3.045 20 5 CGBDRO Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])s1 ZINC000596236877 347402235 /nfs/dbraw/zinc/40/22/35/347402235.db2.gz NQOQQZGKXWREJD-VIFPVBQESA-N 1 0 271.386 3.105 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000596307325 347414238 /nfs/dbraw/zinc/41/42/38/347414238.db2.gz KPBNSOFCZFOZQE-NSHDSACASA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596335106 347421748 /nfs/dbraw/zinc/42/17/48/347421748.db2.gz DXONRAXDWDAEOQ-JTQLQIEISA-N 1 0 283.397 3.249 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597059111 347532363 /nfs/dbraw/zinc/53/23/63/347532363.db2.gz FHAZTWJDFBLETM-VNQPRFMTSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599057934 347712294 /nfs/dbraw/zinc/71/22/94/347712294.db2.gz CSIOBISNPGQQJO-WFASDCNBSA-N 1 0 280.368 3.451 20 5 CGBDRO CC1(C)SC[C@@H]1Nc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599069038 347713857 /nfs/dbraw/zinc/71/38/57/347713857.db2.gz RSZMVYYNLLVANK-LBPRGKRZSA-N 1 0 289.360 3.449 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600123495 347782336 /nfs/dbraw/zinc/78/23/36/347782336.db2.gz LGCUDWQEQLPBQW-VIFPVBQESA-N 1 0 270.279 3.118 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552029 347753297 /nfs/dbraw/zinc/75/32/97/347753297.db2.gz CUPVYRAWUKMSLN-OLZOCXBDSA-N 1 0 278.377 3.065 20 5 CGBDRO Cc1ncc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)o1 ZINC000600137419 347783544 /nfs/dbraw/zinc/78/35/44/347783544.db2.gz NYOOEQRZKFJVKE-UHFFFAOYSA-N 1 0 289.335 3.004 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000600190170 347791843 /nfs/dbraw/zinc/79/18/43/347791843.db2.gz MKDWYSNMFCSRNM-CABCVRRESA-N 1 0 292.404 3.373 20 5 CGBDRO C[C@@H]1C[C@@H](c2ccc(-c3ccc([N+](=O)[O-])nc3)cc2)C[NH2+]1 ZINC000600788007 347835795 /nfs/dbraw/zinc/83/57/95/347835795.db2.gz CUMKTPLLIANLIJ-IAQYHMDHSA-N 1 0 283.331 3.122 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc(C[C@H]3CCCC[NH2+]3)c2)cn1 ZINC000600788403 347835806 /nfs/dbraw/zinc/83/58/06/347835806.db2.gz JHVONLRIQBDBLI-MRXNPFEDSA-N 1 0 297.358 3.341 20 5 CGBDRO CCC[C@@H](CCO)[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000601139377 347873684 /nfs/dbraw/zinc/87/36/84/347873684.db2.gz CACMVNUMUIDWBT-WVUXNXBLSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2ncccc21 ZINC000601268399 347887058 /nfs/dbraw/zinc/88/70/58/347887058.db2.gz PFWIEMAQXYDNKF-HNNXBMFYSA-N 1 0 283.331 3.157 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCCc3ncccc32)cccc1[N+](=O)[O-] ZINC000601277408 347888179 /nfs/dbraw/zinc/88/81/79/347888179.db2.gz DGQHOESFQHRLQX-MRXNPFEDSA-N 1 0 297.358 3.465 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000601289094 347889449 /nfs/dbraw/zinc/88/94/49/347889449.db2.gz IAAHJHCYJZHUPS-DZGCQCFKSA-N 1 0 294.395 3.057 20 5 CGBDRO COC[C@@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295146904 199372027 /nfs/dbraw/zinc/37/20/27/199372027.db2.gz QPBKQRKAJONCOZ-AWEZNQCLSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC[C@H]4C[C@H]4C3)nc2c1 ZINC000602704407 348013603 /nfs/dbraw/zinc/01/36/03/348013603.db2.gz WWJINGOAZFWDES-GARJFASQSA-N 1 0 287.319 3.014 20 5 CGBDRO C/C=C/C[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602723414 348017840 /nfs/dbraw/zinc/01/78/40/348017840.db2.gz GOPFNTNZNANSBM-NSCUHMNNSA-N 1 0 274.242 3.279 20 5 CGBDRO CC[C@H]([NH2+]CCn1c(C)ncc1[N+](=O)[O-])C1CCCCC1 ZINC000602803637 348031514 /nfs/dbraw/zinc/03/15/14/348031514.db2.gz DUXCODBZWSGHFS-AWEZNQCLSA-N 1 0 294.399 3.048 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@H](C3CCC3)CC2)c1[N+](=O)[O-] ZINC000602999769 348053784 /nfs/dbraw/zinc/05/37/84/348053784.db2.gz NQTIJQWUVYZXAJ-ZDUSSCGKSA-N 1 0 293.367 3.293 20 5 CGBDRO CCCC[N@H+](CC)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012169 348106590 /nfs/dbraw/zinc/10/65/90/348106590.db2.gz FZSQSANSDDXVAY-UHFFFAOYSA-N 1 0 280.368 3.486 20 5 CGBDRO CCC(CC)[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000603438486 348083554 /nfs/dbraw/zinc/08/35/54/348083554.db2.gz UWLOLVNNNQEDEL-OAHLLOKOSA-N 1 0 279.384 3.373 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610832649 348405811 /nfs/dbraw/zinc/40/58/11/348405811.db2.gz WXWZFKVUYGJGBW-UBHSHLNASA-N 1 0 292.379 3.369 20 5 CGBDRO CCC1(O)CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000611327602 348438194 /nfs/dbraw/zinc/43/81/94/348438194.db2.gz LUZIXQFCRPYEEK-XEBKBJJBSA-N 1 0 292.379 3.329 20 5 CGBDRO COc1cc(C[NH2+]C(C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000611516971 348458216 /nfs/dbraw/zinc/45/82/16/348458216.db2.gz KUSWWWDWOGYDKE-UHFFFAOYSA-N 1 0 280.368 3.374 20 5 CGBDRO COc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351977735 219273129 /nfs/dbraw/zinc/27/31/29/219273129.db2.gz KGHQZBFUUSDDOP-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000612578528 348529842 /nfs/dbraw/zinc/52/98/42/348529842.db2.gz QFJROERKTOPYMA-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619782628 349285144 /nfs/dbraw/zinc/28/51/44/349285144.db2.gz GRUWCNYXVQEQNV-NSHDSACASA-N 1 0 292.360 3.386 20 5 CGBDRO Cc1c(C[NH2+]Cc2cccc3c[nH]nc32)cccc1[N+](=O)[O-] ZINC000359796844 233377849 /nfs/dbraw/zinc/37/78/49/233377849.db2.gz KRLZUXBPLXTHII-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C ZINC000123060601 187068872 /nfs/dbraw/zinc/06/88/72/187068872.db2.gz QERBFVXASQJVRU-QWRGUYRKSA-N 1 0 289.335 3.214 20 5 CGBDRO C[N@@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)CC1CC1 ZINC000122997889 187065150 /nfs/dbraw/zinc/06/51/50/187065150.db2.gz PDGHABCZHDAONI-UHFFFAOYSA-N 1 0 299.168 3.199 20 5 CGBDRO CC1CC([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000271450886 191145782 /nfs/dbraw/zinc/14/57/82/191145782.db2.gz FUHCBHSKZLVPMK-KWCHVYNWSA-N 1 0 274.364 3.304 20 5 CGBDRO CCC([NH3+])(CC)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000133492277 187688248 /nfs/dbraw/zinc/68/82/48/187688248.db2.gz GCKILRBDYWMZPM-UHFFFAOYSA-N 1 0 271.748 3.178 20 5 CGBDRO Cc1cc([N+](=O)[O-])cnc1NCC[NH2+]C1CCCCCC1 ZINC000133555071 187692587 /nfs/dbraw/zinc/69/25/87/187692587.db2.gz FDRODFNCOUAGBP-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000152499095 188023589 /nfs/dbraw/zinc/02/35/89/188023589.db2.gz OSOHIXXHTUHHGM-CJNGLKHVSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)C)cc1[N+](=O)[O-] ZINC000152521179 188025147 /nfs/dbraw/zinc/02/51/47/188025147.db2.gz VMVYQELTNKNXLS-LLVKDONJSA-N 1 0 266.341 3.300 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000412021709 235104594 /nfs/dbraw/zinc/10/45/94/235104594.db2.gz NGYSYZMMJTUXBK-SNVBAGLBSA-N 1 0 298.770 3.295 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000412021902 235105834 /nfs/dbraw/zinc/10/58/34/235105834.db2.gz OAWFCNKELCDQMT-SNVBAGLBSA-N 1 0 298.770 3.295 20 5 CGBDRO COC1([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414316777 235386883 /nfs/dbraw/zinc/38/68/83/235386883.db2.gz OLWBZWYDBKRUFG-NEPJUHHUSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC2(CCC2)C1 ZINC000123585352 138368680 /nfs/dbraw/zinc/36/86/80/138368680.db2.gz PWGXHOMPJCCVCC-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO CC1=CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000294823454 199199616 /nfs/dbraw/zinc/19/96/16/199199616.db2.gz XUCLYLBCXDEDDH-LLVKDONJSA-N 1 0 286.335 3.060 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000294841855 199207382 /nfs/dbraw/zinc/20/73/82/199207382.db2.gz RHBUKGWMAPRMFF-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO CC[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000341566344 216014441 /nfs/dbraw/zinc/01/44/41/216014441.db2.gz QOBVCEPCGSCBBH-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](CC)COC)c1cccc([N+](=O)[O-])c1 ZINC000079737508 283568523 /nfs/dbraw/zinc/56/85/23/283568523.db2.gz RSRHEZXDTURGHN-DZGCQCFKSA-N 1 0 280.368 3.451 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1=CCCOC1 ZINC000179320552 189185771 /nfs/dbraw/zinc/18/57/71/189185771.db2.gz KYVHNEWHKFBABF-UHFFFAOYSA-N 1 0 290.363 3.152 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000181829929 189307725 /nfs/dbraw/zinc/30/77/25/189307725.db2.gz YVZXHSFVTSBFNZ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CCOCC(C)(C)C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342427351 216348305 /nfs/dbraw/zinc/34/83/05/216348305.db2.gz MLKZVYMNFPUZOR-CLFYSBASSA-N 1 0 292.379 3.260 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C1CC1)C1CC1 ZINC000449104058 239182499 /nfs/dbraw/zinc/18/24/99/239182499.db2.gz SXUGOPBDMXSANX-LLVKDONJSA-N 1 0 274.364 3.304 20 5 CGBDRO Cc1cccc(CC[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000449203470 239242497 /nfs/dbraw/zinc/24/24/97/239242497.db2.gz HPIJBJACYCPNCW-UHFFFAOYSA-N 1 0 284.359 3.278 20 5 CGBDRO COC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCCC1 ZINC000449350364 239339601 /nfs/dbraw/zinc/33/96/01/239339601.db2.gz YZZORKPMYJEIBW-VURMDHGXSA-N 1 0 290.363 3.157 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537989020 288557775 /nfs/dbraw/zinc/55/77/75/288557775.db2.gz ZWIOTZGUMQCZLY-GXTWGEPZSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000482859627 243247470 /nfs/dbraw/zinc/24/74/70/243247470.db2.gz SHFXPMPUTXCNHL-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H]2c2ccccc2)cc1 ZINC000482952989 243254306 /nfs/dbraw/zinc/25/43/06/243254306.db2.gz VWBVLIJCWZYIDZ-KRWDZBQOSA-N 1 0 298.342 3.421 20 5 CGBDRO COc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000035648648 369002301 /nfs/dbraw/zinc/00/23/01/369002301.db2.gz OAJPKLXNEYFNMQ-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000036721133 369025917 /nfs/dbraw/zinc/02/59/17/369025917.db2.gz AOIJXHXPRHYJPI-OAHLLOKOSA-N 1 0 271.320 3.231 20 5 CGBDRO CC[C@@H]([NH2+]CCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037717991 369102338 /nfs/dbraw/zinc/10/23/38/369102338.db2.gz JVIGBYAIRHIMDQ-MRXNPFEDSA-N 1 0 285.347 3.273 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000037150668 369069036 /nfs/dbraw/zinc/06/90/36/369069036.db2.gz ZDQGBXSZIXOZBG-NSHDSACASA-N 1 0 272.304 3.151 20 5 CGBDRO CCc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037924721 369126282 /nfs/dbraw/zinc/12/62/82/369126282.db2.gz VMFJMXOHTCLQPJ-SNVBAGLBSA-N 1 0 291.376 3.465 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)CC1CC1 ZINC000037925511 369126386 /nfs/dbraw/zinc/12/63/86/369126386.db2.gz YTHZXFXBMMTILS-UHFFFAOYSA-N 1 0 254.717 3.090 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719855 244013104 /nfs/dbraw/zinc/01/31/04/244013104.db2.gz GCYTWPGKBFKVLB-CHWSQXEVSA-N 1 0 292.379 3.471 20 5 CGBDRO CCC[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000051994731 369459655 /nfs/dbraw/zinc/45/96/55/369459655.db2.gz PNTKOSFABCHBKY-PMPSAXMXSA-N 1 0 292.379 3.329 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967420 371072846 /nfs/dbraw/zinc/07/28/46/371072846.db2.gz CAHREGFJBWQZKJ-WCQYABFASA-N 1 0 291.395 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c(Cl)c1 ZINC000135723910 371446937 /nfs/dbraw/zinc/44/69/37/371446937.db2.gz SLNCKUYEXMDPJY-ZIAGYGMSSA-N 1 0 298.770 3.031 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000287421288 371655025 /nfs/dbraw/zinc/65/50/25/371655025.db2.gz KBIOUXFKCZNWDD-IPYPFGDCSA-N 1 0 292.379 3.226 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000290525734 372009743 /nfs/dbraw/zinc/00/97/43/372009743.db2.gz ZEACTYUAVYBIPK-GFCCVEGCSA-N 1 0 280.368 3.308 20 5 CGBDRO CC(C)OCCC[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000344190109 217091403 /nfs/dbraw/zinc/09/14/03/217091403.db2.gz RAAXKGSSDPVLRP-CYBMUJFWSA-N 1 0 280.368 3.403 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428457825 372209669 /nfs/dbraw/zinc/20/96/69/372209669.db2.gz KNVOLOZLOKBLSU-SWLSCSKDSA-N 1 0 260.337 3.278 20 5 CGBDRO CC1([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000159924583 372194946 /nfs/dbraw/zinc/19/49/46/372194946.db2.gz FLXYKRGRTPZGKK-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cnn(C)c2)cccc1[N+](=O)[O-] ZINC000163887514 372498119 /nfs/dbraw/zinc/49/81/19/372498119.db2.gz SFQNKVNTRJPBHS-VXGBXAGGSA-N 1 0 288.351 3.049 20 5 CGBDRO CC[N@H+](C)C[C@@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432313158 372557199 /nfs/dbraw/zinc/55/71/99/372557199.db2.gz QMWPCPIBUBDUQX-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1c(Cl)cccc1[N+](=O)[O-] ZINC000432335972 372561572 /nfs/dbraw/zinc/56/15/72/372561572.db2.gz OJYWUASXNBVNFL-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO CSCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168130206 372606053 /nfs/dbraw/zinc/60/60/53/372606053.db2.gz HCNRNEQGFVLSMR-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO CC[NH+](CC)CCSCc1cc([N+](=O)[O-])ccc1OC ZINC000174024336 373235710 /nfs/dbraw/zinc/23/57/10/373235710.db2.gz RYGQTNDPZSMAPB-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO CC[C@@H](O)CCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344894914 217347779 /nfs/dbraw/zinc/34/77/79/217347779.db2.gz YQEVCOXDWRMPCF-QSOAKEGCSA-N 1 0 292.379 3.139 20 5 CGBDRO CCc1cnc(CN(C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000175503198 373477545 /nfs/dbraw/zinc/47/75/45/373477545.db2.gz ARFMPVDDNCTIKW-UHFFFAOYSA-N 1 0 291.376 3.246 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000300404453 373625865 /nfs/dbraw/zinc/62/58/65/373625865.db2.gz ZUGKZFYCKZJULI-DDTOSNHZSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1cc(NC[C@@H](CC(C)C)[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301127836 373670475 /nfs/dbraw/zinc/67/04/75/373670475.db2.gz XRCWNQBSVRYFGB-CQSZACIVSA-N 1 0 279.384 3.291 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1(C)C ZINC000449495909 373792039 /nfs/dbraw/zinc/79/20/39/373792039.db2.gz FLNDBIFLMABRQX-HNNXBMFYSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1cc(C)c(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)cn1 ZINC000449733062 373858515 /nfs/dbraw/zinc/85/85/15/373858515.db2.gz FVDKADNRYKTMGZ-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311908246 374262280 /nfs/dbraw/zinc/26/22/80/374262280.db2.gz GWFLMLQAJCUGKU-ZETCQYMHSA-N 1 0 280.221 3.164 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000182842098 374334208 /nfs/dbraw/zinc/33/42/08/374334208.db2.gz KMKPKBOAZJZBGS-CYBMUJFWSA-N 1 0 292.379 3.323 20 5 CGBDRO CC/C=C\C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453339489 374431793 /nfs/dbraw/zinc/43/17/93/374431793.db2.gz ZJMBLAPMVKTEKA-OMVNSRBRSA-N 1 0 274.364 3.472 20 5 CGBDRO CC1(C)CC[NH+](Cc2ccc(C(N)=O)cc2[N+](=O)[O-])CC1 ZINC000330470136 374468862 /nfs/dbraw/zinc/46/88/62/374468862.db2.gz ZWCHKGZNKZRNOL-UHFFFAOYSA-N 1 0 291.351 3.100 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453384161 374471092 /nfs/dbraw/zinc/47/10/92/374471092.db2.gz UHAZCPHKQGWLLA-WHOFXGATSA-N 1 0 280.368 3.103 20 5 CGBDRO CC(C)[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000464770360 374897093 /nfs/dbraw/zinc/89/70/93/374897093.db2.gz JPWIIZFCNGQJJC-OAHLLOKOSA-N 1 0 294.420 3.211 20 5 CGBDRO C/C=C/C[C@H](CO)[NH2+][C@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186504186 374863000 /nfs/dbraw/zinc/86/30/00/374863000.db2.gz JMXJZJZGNJYJCV-CEXNOZIFSA-N 1 0 292.379 3.353 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000468617667 374982948 /nfs/dbraw/zinc/98/29/48/374982948.db2.gz IKJRANDGJXHIQU-OSEPDQNXSA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000475722573 375136460 /nfs/dbraw/zinc/13/64/60/375136460.db2.gz HPMCQGZJOXPBRC-UPJWGTAASA-N 1 0 262.353 3.461 20 5 CGBDRO CCC1(CC)CCC[N@H+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000190412348 375507107 /nfs/dbraw/zinc/50/71/07/375507107.db2.gz SCIXJNNGSAMABS-UHFFFAOYSA-N 1 0 294.399 3.084 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)c1cccc(O)c1 ZINC000192367126 375740110 /nfs/dbraw/zinc/74/01/10/375740110.db2.gz AKGNVGQWARLLIV-GFCCVEGCSA-N 1 0 286.331 3.460 20 5 CGBDRO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000508585702 375750544 /nfs/dbraw/zinc/75/05/44/375750544.db2.gz DVKHAWHWKQABBE-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO CC[NH+](CC)Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000336683665 375903734 /nfs/dbraw/zinc/90/37/34/375903734.db2.gz ZGWJYEJROPYLHU-UHFFFAOYSA-N 1 0 287.157 3.199 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c(F)c1 ZINC000336829437 375989352 /nfs/dbraw/zinc/98/93/52/375989352.db2.gz AJJNEIRDQWUNSI-NHYWBVRUSA-N 1 0 278.327 3.498 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000222135936 376229776 /nfs/dbraw/zinc/22/97/76/376229776.db2.gz TVWIWWPLLRTHQL-JQWIXIFHSA-N 1 0 266.366 3.059 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000226384143 376356542 /nfs/dbraw/zinc/35/65/42/376356542.db2.gz UTUDVFFNLWFBRA-NWDGAFQWSA-N 1 0 280.393 3.307 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(CCO)CCC1 ZINC000540156287 376360581 /nfs/dbraw/zinc/36/05/81/376360581.db2.gz LRDMWDSMXFNVQE-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO Cc1ccc(NCC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC000227307144 376387662 /nfs/dbraw/zinc/38/76/62/376387662.db2.gz PHTRLRLMCQQGIK-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000338481560 376390632 /nfs/dbraw/zinc/39/06/32/376390632.db2.gz ZCGCXDVNSWXXCD-AGGWBTHJSA-N 1 0 292.379 3.278 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)c(N[C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236044385 376657202 /nfs/dbraw/zinc/65/72/02/376657202.db2.gz QISOYNPAPQLSJD-ZETCQYMHSA-N 1 0 290.150 3.066 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CCC3)o2)c1 ZINC000264556034 190118215 /nfs/dbraw/zinc/11/82/15/190118215.db2.gz SVGVCJKHZQCVOU-UHFFFAOYSA-N 1 0 272.304 3.497 20 5 CGBDRO C[C@@H](CCC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000544352535 376725123 /nfs/dbraw/zinc/72/51/23/376725123.db2.gz DBDULHZEAPQUNF-JTQLQIEISA-N 1 0 290.285 3.458 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339670353 376798907 /nfs/dbraw/zinc/79/89/07/376798907.db2.gz BNZYQYQTHGQXCZ-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000247695954 377233690 /nfs/dbraw/zinc/23/36/90/377233690.db2.gz WSJGAGQLKZHGKW-UONOGXRCSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000562107573 377278302 /nfs/dbraw/zinc/27/83/02/377278302.db2.gz ZHLMMAISRWPXNU-APHBMKBZSA-N 1 0 292.379 3.247 20 5 CGBDRO Cc1ncsc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416525 377459095 /nfs/dbraw/zinc/45/90/95/377459095.db2.gz GIMFMFGMXWGLNF-GFCCVEGCSA-N 1 0 289.360 3.137 20 5 CGBDRO CC(C)(C)C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000514628733 249182889 /nfs/dbraw/zinc/18/28/89/249182889.db2.gz IHWSAENNPKSXNP-UHFFFAOYSA-N 1 0 275.352 3.254 20 5 CGBDRO CC(C)[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000255642087 377773226 /nfs/dbraw/zinc/77/32/26/377773226.db2.gz ZNMVBHKLEOXXFJ-ALCCZGGFSA-N 1 0 260.337 3.481 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000343004330 377879964 /nfs/dbraw/zinc/87/99/64/377879964.db2.gz FYQBEPLXSDJBEO-CQSZACIVSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)cs1 ZINC000265979030 190219943 /nfs/dbraw/zinc/21/99/43/190219943.db2.gz AMSIWLPVWMFVIO-UHFFFAOYSA-N 1 0 296.392 3.049 20 5 CGBDRO CC[N@H+](Cc1ccncc1)Cc1cccc([N+](=O)[O-])c1C ZINC000270977049 378419520 /nfs/dbraw/zinc/41/95/20/378419520.db2.gz FEOACIIGPGOCFV-UHFFFAOYSA-N 1 0 285.347 3.320 20 5 CGBDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271976941 378534501 /nfs/dbraw/zinc/53/45/01/378534501.db2.gz JFNIQWUALSYARX-OLZOCXBDSA-N 1 0 298.408 3.340 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)CCC2 ZINC000348288429 378887564 /nfs/dbraw/zinc/88/75/64/378887564.db2.gz JTUKBVPKJIKSQX-XQQFMLRXSA-N 1 0 282.290 3.215 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000348482422 378966023 /nfs/dbraw/zinc/96/60/23/378966023.db2.gz WCJSFZHRDJFLIN-TZMCWYRMSA-N 1 0 298.383 3.498 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000347352419 218201972 /nfs/dbraw/zinc/20/19/72/218201972.db2.gz DDVJITMVCCOZRY-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO CCc1ccc(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])cc1 ZINC000348920459 379112059 /nfs/dbraw/zinc/11/20/59/379112059.db2.gz KEMFYYIQBZPUAF-UHFFFAOYSA-N 1 0 299.374 3.123 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000347607953 218289474 /nfs/dbraw/zinc/28/94/74/218289474.db2.gz UEZNIZDCULVCEL-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(F)F)CC1 ZINC000349967354 379462830 /nfs/dbraw/zinc/46/28/30/379462830.db2.gz NWWXLYPGWSGAPJ-UHFFFAOYSA-N 1 0 284.306 3.380 20 5 CGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266764004 190279473 /nfs/dbraw/zinc/27/94/73/190279473.db2.gz HGYDJWZUADXISJ-VXGBXAGGSA-N 1 0 280.368 3.043 20 5 CGBDRO CCn1nccc1CN(C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000352365153 379780773 /nfs/dbraw/zinc/78/07/73/379780773.db2.gz NTPFMIJTFRLHOR-GFCCVEGCSA-N 1 0 288.351 3.004 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC2(C)C)ccc1[N+](=O)[O-] ZINC000352541602 379850690 /nfs/dbraw/zinc/85/06/90/379850690.db2.gz ZTMLWWJCGGBHFD-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000282702912 379973304 /nfs/dbraw/zinc/97/33/04/379973304.db2.gz KYSOTEZFGCTHON-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000286081694 380161365 /nfs/dbraw/zinc/16/13/65/380161365.db2.gz SJNUDAIMBDHCNH-QPUJVOFHSA-N 1 0 286.784 3.089 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414494656 380270257 /nfs/dbraw/zinc/27/02/57/380270257.db2.gz AHFMJDGVEGGCRD-MLGOLLRUSA-N 1 0 292.379 3.196 20 5 CGBDRO COCCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000418139131 380713364 /nfs/dbraw/zinc/71/33/64/380713364.db2.gz DLOAAPVHQIHEOO-UHFFFAOYSA-N 1 0 286.759 3.107 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000356790563 380873042 /nfs/dbraw/zinc/87/30/42/380873042.db2.gz SRFMYQBOKSJNPF-NOLJZWGESA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cc(C)n1 ZINC000421384131 380927473 /nfs/dbraw/zinc/92/74/73/380927473.db2.gz OEGBHMYKCXMYRP-LBPRGKRZSA-N 1 0 299.374 3.327 20 5 CGBDRO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C1CCC1 ZINC000362315837 381941462 /nfs/dbraw/zinc/94/14/62/381941462.db2.gz IQHOGFUIGJIEPQ-UHFFFAOYSA-N 1 0 282.315 3.117 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCCCO2)C2CC2)cc1 ZINC000129994568 285112055 /nfs/dbraw/zinc/11/20/55/285112055.db2.gz PSAQCJUAMAIRAI-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CC2CCC2)cccc1[N+](=O)[O-] ZINC000281151700 195124992 /nfs/dbraw/zinc/12/49/92/195124992.db2.gz ONMXXYDZNRDLMJ-GXTWGEPZSA-N 1 0 292.379 3.105 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1(C)C ZINC000350343875 219010474 /nfs/dbraw/zinc/01/04/74/219010474.db2.gz WZEWCOCGDYRNGQ-HIFRSBDPSA-N 1 0 296.342 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCSC1)CCC2 ZINC000448027430 285144988 /nfs/dbraw/zinc/14/49/88/285144988.db2.gz MYHOBNDTESZEMP-XHDPSFHLSA-N 1 0 292.404 3.315 20 5 CGBDRO CCC[C@]1(CO)CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849776 197179271 /nfs/dbraw/zinc/17/92/71/197179271.db2.gz PBSIWBDFZVKMNQ-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO CCC[C@@]1(CO)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000288849783 197179073 /nfs/dbraw/zinc/17/90/73/197179073.db2.gz PBSIWBDFZVKMNQ-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000288492506 197093799 /nfs/dbraw/zinc/09/37/99/197093799.db2.gz HHZFDBJVHQUZKH-BDJLRTHQSA-N 1 0 284.315 3.207 20 5 CGBDRO CSCCC[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000439479510 533563914 /nfs/dbraw/zinc/56/39/14/533563914.db2.gz UQTMGHYLSPVHCA-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000189339177 129956214 /nfs/dbraw/zinc/95/62/14/129956214.db2.gz CXVQYTUTPOMRHS-UHOFOFEASA-N 1 0 292.379 3.187 20 5 CGBDRO COc1ccc(C[N@H+](CC(C)C)C(C)C)cc1[N+](=O)[O-] ZINC000060857084 392123613 /nfs/dbraw/zinc/12/36/13/392123613.db2.gz APXWTVSGHRATJZ-UHFFFAOYSA-N 1 0 280.368 3.470 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCCO1 ZINC000090859482 392230072 /nfs/dbraw/zinc/23/00/72/392230072.db2.gz NEUMYYGBYSCINE-TUKIKUTGSA-N 1 0 278.352 3.203 20 5 CGBDRO CCOCC[N@H+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000107062081 392314886 /nfs/dbraw/zinc/31/48/86/392314886.db2.gz GSKLIMLTNJTGPD-UHFFFAOYSA-N 1 0 286.759 3.107 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H](C)C1 ZINC000361647222 392284947 /nfs/dbraw/zinc/28/49/47/392284947.db2.gz XJMJSNXEUIIKPL-UKRRQHHQSA-N 1 0 292.379 3.232 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCc3c2cccc3O)cc1[N+](=O)[O-] ZINC000105487130 392290451 /nfs/dbraw/zinc/29/04/51/392290451.db2.gz UKSUAFVBIUXKBW-OAHLLOKOSA-N 1 0 298.342 3.386 20 5 CGBDRO CC(C)[NH2+]C1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000108370331 392342175 /nfs/dbraw/zinc/34/21/75/392342175.db2.gz UAEJDBGENCVTLD-CYBMUJFWSA-N 1 0 291.395 3.118 20 5 CGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1(C)C ZINC000361900601 392357651 /nfs/dbraw/zinc/35/76/51/392357651.db2.gz NXHIMSXJOIIXRY-NWDGAFQWSA-N 1 0 298.408 3.338 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505609557 392679296 /nfs/dbraw/zinc/67/92/96/392679296.db2.gz ZHNROUAZHDCMDW-QWRGUYRKSA-N 1 0 266.316 3.212 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417995 392694320 /nfs/dbraw/zinc/69/43/20/392694320.db2.gz DKHUMSJWEHGHTP-QMTHXVAHSA-N 1 0 288.351 3.092 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[NH+]2C[C@H]3CCCC[C@@H]3C2)c(F)c1 ZINC000509393948 392748541 /nfs/dbraw/zinc/74/85/41/392748541.db2.gz UMBQSGPIYFXIHR-GHMZBOCLSA-N 1 0 296.317 3.495 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332131698 392697261 /nfs/dbraw/zinc/69/72/61/392697261.db2.gz DYWVIJPUTAGCIW-JQWIXIFHSA-N 1 0 288.351 3.139 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000464690440 392974408 /nfs/dbraw/zinc/97/44/08/392974408.db2.gz QTNXUSCBGOZMBT-CMPLNLGQSA-N 1 0 296.342 3.363 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccc(O)cc1 ZINC000468631672 393156679 /nfs/dbraw/zinc/15/66/79/393156679.db2.gz MUCQTKVCGOCQAJ-UKTHLTGXSA-N 1 0 298.342 3.494 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](C)(F)C1 ZINC000470175725 393229986 /nfs/dbraw/zinc/22/99/86/393229986.db2.gz FKLJLQCFKDHMKU-PINLSGDHSA-N 1 0 278.327 3.432 20 5 CGBDRO CCOCC[N@H+](CC)C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000470183554 393231382 /nfs/dbraw/zinc/23/13/82/393231382.db2.gz OEOAUGDJHYGRRW-SDNWHVSQSA-N 1 0 292.379 3.357 20 5 CGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280319 393448577 /nfs/dbraw/zinc/44/85/77/393448577.db2.gz LAENBFJYLZYDRR-ONGXEEELSA-N 1 0 283.759 3.178 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1OC ZINC000430213252 393540748 /nfs/dbraw/zinc/54/07/48/393540748.db2.gz SNFBAQDEMLQQBD-GFCCVEGCSA-N 1 0 298.408 3.177 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC[C@H]1C ZINC000430216415 393542222 /nfs/dbraw/zinc/54/22/22/393542222.db2.gz HCTQCRPQBYXJHG-BXUZGUMPSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000429568800 393484363 /nfs/dbraw/zinc/48/43/63/393484363.db2.gz PNVLOTCDSGZINY-JQWIXIFHSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CCC1 ZINC000430237390 393545953 /nfs/dbraw/zinc/54/59/53/393545953.db2.gz ISNAOIXXYHJYGV-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430239160 393546490 /nfs/dbraw/zinc/54/64/90/393546490.db2.gz MVSWZRYLKZFOEU-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CC3CCC2CC3)ccc1[N+](=O)[O-] ZINC000432982701 393667179 /nfs/dbraw/zinc/66/71/79/393667179.db2.gz DPUWIWPAKGXYOK-UBHUBRDASA-N 1 0 290.363 3.272 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCC12CCC2 ZINC000446844748 393863172 /nfs/dbraw/zinc/86/31/72/393863172.db2.gz IOPWPQMKNITOKO-UHFFFAOYSA-N 1 0 260.337 3.422 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C2CC(C)(F)C2)cc1[N+](=O)[O-] ZINC000453257069 394223297 /nfs/dbraw/zinc/22/32/97/394223297.db2.gz UQXNWYXFHRDTKS-JKDOVBDQSA-N 1 0 266.316 3.444 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cccc1[N+](=O)[O-] ZINC000453403625 394235368 /nfs/dbraw/zinc/23/53/68/394235368.db2.gz HCQLYFARBHJUBT-WCFLWFBJSA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000074370966 287012246 /nfs/dbraw/zinc/01/22/46/287012246.db2.gz KDBLLPSGBWZXOM-HOCLYGCPSA-N 1 0 292.379 3.111 20 5 CGBDRO CC(C)[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCC1 ZINC000077357040 165119411 /nfs/dbraw/zinc/11/94/11/165119411.db2.gz YDTPABKESSSNKL-UHFFFAOYSA-N 1 0 266.316 3.497 20 5 CGBDRO CC(C)[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000077357097 165122064 /nfs/dbraw/zinc/12/20/64/165122064.db2.gz SFRGPZFHMFOOAJ-UHFFFAOYSA-N 1 0 254.355 3.419 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000020121826 171001427 /nfs/dbraw/zinc/00/14/27/171001427.db2.gz KNQOGBIEAXCCDF-RYUDHWBXSA-N 1 0 271.320 3.402 20 5 CGBDRO C[NH+](C)CC(C)(C)CNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000021508215 171308868 /nfs/dbraw/zinc/30/88/68/171308868.db2.gz UBQZPJQHULACCN-UHFFFAOYSA-N 1 0 285.775 3.248 20 5 CGBDRO C[C@H]([NH2+]CCC1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285181629 196215676 /nfs/dbraw/zinc/21/56/76/196215676.db2.gz NHKJPOYJMPGDON-JTQLQIEISA-N 1 0 263.341 3.018 20 5 CGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439502 196284683 /nfs/dbraw/zinc/28/46/83/196284683.db2.gz CUGAXYXOJCSLDB-WCQYABFASA-N 1 0 298.408 3.172 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177073 173010936 /nfs/dbraw/zinc/01/09/36/173010936.db2.gz NOUINZDSJGRYJU-RYUDHWBXSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000038042149 174044187 /nfs/dbraw/zinc/04/41/87/174044187.db2.gz FZWNKMWXMCBKFY-GFCCVEGCSA-N 1 0 295.358 3.268 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000040503219 174300118 /nfs/dbraw/zinc/30/01/18/174300118.db2.gz BWBCDHKWBOTITL-JTQLQIEISA-N 1 0 283.759 3.144 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000044690666 175233435 /nfs/dbraw/zinc/23/34/35/175233435.db2.gz BLHIGQOYXFWIFL-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC(CC)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675871 270029747 /nfs/dbraw/zinc/02/97/47/270029747.db2.gz WKLJXVJHPIGGPC-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000042895045 270033509 /nfs/dbraw/zinc/03/35/09/270033509.db2.gz KMKVFTOIYBFHAY-ZDUSSCGKSA-N 1 0 286.331 3.324 20 5 CGBDRO Cc1cccc(NCC2([NH+](C)C)CCCC2)c1[N+](=O)[O-] ZINC000218834936 270085519 /nfs/dbraw/zinc/08/55/19/270085519.db2.gz OHOZOIDDGAQDBH-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000322833377 270094132 /nfs/dbraw/zinc/09/41/32/270094132.db2.gz ZZYMDLDZQSFNCV-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)[C@H]1C[C@H]1C ZINC000519810965 270098299 /nfs/dbraw/zinc/09/82/99/270098299.db2.gz ARUKGPTUVMYFLF-GYSYKLTISA-N 1 0 287.363 3.253 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CC(C)(C)C1 ZINC000527363446 270127848 /nfs/dbraw/zinc/12/78/48/270127848.db2.gz CDYSMLBSSRRPTE-UHFFFAOYSA-N 1 0 262.353 3.429 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]2Cc2ccccc2)cc1 ZINC000530756398 270202589 /nfs/dbraw/zinc/20/25/89/270202589.db2.gz FAQBUTWOZYWIKI-KRWDZBQOSA-N 1 0 282.343 3.412 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000532038448 270213047 /nfs/dbraw/zinc/21/30/47/270213047.db2.gz MTFUSGBHWMVYFQ-ZDUSSCGKSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000532780098 270219617 /nfs/dbraw/zinc/21/96/17/270219617.db2.gz SMNJJIFITOPBMQ-STQMWFEESA-N 1 0 292.379 3.471 20 5 CGBDRO CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(C)c([N+](=O)[O-])c1 ZINC000273317363 273601414 /nfs/dbraw/zinc/60/14/14/273601414.db2.gz YJLVVFJBYSYWGD-LLVKDONJSA-N 1 0 293.367 3.008 20 5 CGBDRO C[NH+](C)[C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000277252724 273816439 /nfs/dbraw/zinc/81/64/39/273816439.db2.gz VXZTUTPIQKZUOE-LBPRGKRZSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000481185854 274312881 /nfs/dbraw/zinc/31/28/81/274312881.db2.gz UZGQVJRDDVPYLK-HZSPNIEDSA-N 1 0 292.379 3.388 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453336764 274819978 /nfs/dbraw/zinc/81/99/78/274819978.db2.gz YVOGZBJXILZJEE-KRWDZBQOSA-N 1 0 297.358 3.465 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247547627 276341259 /nfs/dbraw/zinc/34/12/59/276341259.db2.gz PQASSVUVAJBONB-CJNGLKHVSA-N 1 0 291.395 3.072 20 5 CGBDRO CSC[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192881777 278137258 /nfs/dbraw/zinc/13/72/58/278137258.db2.gz ZUGLKVVGXGMEQD-HZMBPMFUSA-N 1 0 280.393 3.313 20 5 CGBDRO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177086 278332514 /nfs/dbraw/zinc/33/25/14/278332514.db2.gz PHQJGSXFPAJLRA-SNVBAGLBSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]([NH2+]C1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277006303 278333408 /nfs/dbraw/zinc/33/34/08/278333408.db2.gz BEMBPRUBHYVORN-MRVPVSSYSA-N 1 0 256.252 3.043 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000500457968 279026056 /nfs/dbraw/zinc/02/60/56/279026056.db2.gz PDHHDXZHMXNULF-AWEZNQCLSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(F)(F)F ZINC000451101633 279348509 /nfs/dbraw/zinc/34/85/09/279348509.db2.gz DREOLNRYOSYVAG-BDAKNGLRSA-N 1 0 276.258 3.444 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119704030 280951854 /nfs/dbraw/zinc/95/18/54/280951854.db2.gz ILYGRKWYNCCGOA-LNSITVRQSA-N 1 0 278.352 3.061 20 5 CGBDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532203399 288355550 /nfs/dbraw/zinc/35/55/50/288355550.db2.gz RWIGLZIHKDWHAL-UKRRQHHQSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCCO1 ZINC000532204243 288355566 /nfs/dbraw/zinc/35/55/66/288355566.db2.gz VEQHGGHEDOHYDP-JSGCOSHPSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000550927802 289091037 /nfs/dbraw/zinc/09/10/37/289091037.db2.gz GRBFTGFRWCSUJF-JIMOISOXSA-N 1 0 252.289 3.136 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556231424 289378864 /nfs/dbraw/zinc/37/88/64/289378864.db2.gz ADRXXNAUOCKYFN-VXGBXAGGSA-N 1 0 268.332 3.254 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC12CCOCC2)c1ccc([N+](=O)[O-])cc1 ZINC000556454202 289393474 /nfs/dbraw/zinc/39/34/74/289393474.db2.gz SMBZKENOLRZJFC-WFASDCNBSA-N 1 0 290.363 3.205 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2C[C@@H]2C(F)F)cccc1[N+](=O)[O-] ZINC000562066588 289673969 /nfs/dbraw/zinc/67/39/69/289673969.db2.gz WBCCVPHOMMPYMU-MIMYLULJSA-N 1 0 270.279 3.207 20 5 CGBDRO CCC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)C ZINC000567176485 322153018 /nfs/dbraw/zinc/15/30/18/322153018.db2.gz GEZKGVJYVMDIRA-UHFFFAOYSA-N 1 0 284.331 3.363 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000567344590 322159725 /nfs/dbraw/zinc/15/97/25/322159725.db2.gz LFKAXPSRUISLGC-FVCCEPFGSA-N 1 0 260.337 3.352 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000567824014 322179040 /nfs/dbraw/zinc/17/90/40/322179040.db2.gz FQVAEOVDDDYBRI-VIFPVBQESA-N 1 0 270.279 3.352 20 5 CGBDRO Cc1cc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])no1 ZINC000580387648 328800269 /nfs/dbraw/zinc/80/02/69/328800269.db2.gz HHIKHERYXMUCCY-LLVKDONJSA-N 1 0 289.335 3.002 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)cs1 ZINC000576104533 335154547 /nfs/dbraw/zinc/15/45/47/335154547.db2.gz OWKXWGLFALESTJ-QWHCGFSZSA-N 1 0 296.392 3.047 20 5 CGBDRO C[C@@H](C[NH+](C)C)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000577611311 335377880 /nfs/dbraw/zinc/37/78/80/335377880.db2.gz SGIMMXSWLQNJFT-ZETCQYMHSA-N 1 0 292.166 3.264 20 5 CGBDRO C[NH+](C)CC1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000577901037 335419015 /nfs/dbraw/zinc/41/90/15/335419015.db2.gz AIMSCDJJOUQNNK-UHFFFAOYSA-N 1 0 295.358 3.266 20 5 CGBDRO COc1cc(C[NH2+][C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1F ZINC000184259956 335921803 /nfs/dbraw/zinc/92/18/03/335921803.db2.gz BDNHNTGLCBFDKZ-SECBINFHSA-N 1 0 284.331 3.267 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000383754387 336117529 /nfs/dbraw/zinc/11/75/29/336117529.db2.gz IZLQNQHFZSSYFK-GFCCVEGCSA-N 1 0 280.368 3.308 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000387062980 336184421 /nfs/dbraw/zinc/18/44/21/336184421.db2.gz VSLNHBXDRPEVTL-CQSZACIVSA-N 1 0 276.336 3.026 20 5 CGBDRO C[C@H](CC1CC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449149654 533767530 /nfs/dbraw/zinc/76/75/30/533767530.db2.gz OGCNMINAELVKPD-NEPJUHHUSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCOCC2(CCC2)C1 ZINC000368856373 534093576 /nfs/dbraw/zinc/09/35/76/534093576.db2.gz OSRAPCWJEJLCAW-ZDUSSCGKSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@@H]1C[C@H]1C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000488357947 518180845 /nfs/dbraw/zinc/18/08/45/518180845.db2.gz QMLFCWDNTDWTCY-YPMHNXCESA-N 1 0 260.337 3.215 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000087710807 520370173 /nfs/dbraw/zinc/37/01/73/520370173.db2.gz MUPMCYORMORWSA-HUUCEWRRSA-N 1 0 290.363 3.032 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183939002 522987354 /nfs/dbraw/zinc/98/73/54/522987354.db2.gz GDGIFDCLMVLURO-GFCCVEGCSA-N 1 0 280.368 3.308 20 5 CGBDRO CC(C)=CCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449277833 527406104 /nfs/dbraw/zinc/40/61/04/527406104.db2.gz GVMBTSZBRVJYHQ-ZDUSSCGKSA-N 1 0 262.353 3.472 20 5 CGBDRO CCC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178118519 528226079 /nfs/dbraw/zinc/22/60/79/528226079.db2.gz SERMIMYTMJNKQC-HOTGVXAUSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CCC1CC1 ZINC000355036439 528576041 /nfs/dbraw/zinc/57/60/41/528576041.db2.gz JHTOYAVQZSEZDN-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441174951 528886850 /nfs/dbraw/zinc/88/68/50/528886850.db2.gz KGBSFSBTXRXRPZ-GFCCVEGCSA-N 1 0 296.367 3.103 20 5 CGBDRO CC(C)[C@H](C)C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449155808 528950679 /nfs/dbraw/zinc/95/06/79/528950679.db2.gz MGNVWHRSDUFPHS-CHWSQXEVSA-N 1 0 264.369 3.408 20 5 CGBDRO CCC([NH3+])(CC)CN[C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000423290401 528954912 /nfs/dbraw/zinc/95/49/12/528954912.db2.gz ZZRKCZBVIYUPRJ-HNNXBMFYSA-N 1 0 291.395 3.079 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449276028 528964211 /nfs/dbraw/zinc/96/42/11/528964211.db2.gz PZUBIWYXZPWMMD-ZDUSSCGKSA-N 1 0 294.395 3.057 20 5 CGBDRO CC[C@H](CCO)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417310762 529332299 /nfs/dbraw/zinc/33/22/99/529332299.db2.gz KTYBDNNQMJXLRW-CZUORRHYSA-N 1 0 292.379 3.113 20 5 CGBDRO CCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCOCC1 ZINC000314009622 535294950 /nfs/dbraw/zinc/29/49/50/535294950.db2.gz NKAUEBWDCJDEHC-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO CCC(CC)[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000750054938 571737734 /nfs/dbraw/zinc/73/77/34/571737734.db2.gz VUBXQNOYRXVIRH-MRXNPFEDSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000726605709 572588889 /nfs/dbraw/zinc/58/88/89/572588889.db2.gz GXJBRNDYQNDJHB-SMYYYNMVSA-N 1 0 260.337 3.386 20 5 CGBDRO CC[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000746672238 572890774 /nfs/dbraw/zinc/89/07/74/572890774.db2.gz NLSJSOBNNSVEAY-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO COc1c(O)ccc(C[N@H+](C)C2CCCCC2)c1[N+](=O)[O-] ZINC000891448167 618216208 /nfs/dbraw/zinc/21/62/08/618216208.db2.gz ZLGHMSMDAIFILQ-UHFFFAOYSA-N 1 0 294.351 3.074 20 5 CGBDRO C[C@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000052085757 618688554 /nfs/dbraw/zinc/68/85/54/618688554.db2.gz XNRBAHMTTSIIFQ-LBPRGKRZSA-N 1 0 288.351 3.024 20 5 CGBDRO Cc1c(C[NH2+]CCc2ccccc2F)cccc1[N+](=O)[O-] ZINC000035648698 619008780 /nfs/dbraw/zinc/00/87/80/619008780.db2.gz GBGKGMFSKNFGQK-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111290680 619190727 /nfs/dbraw/zinc/19/07/27/619190727.db2.gz QWUAHILUGODZSO-VIFPVBQESA-N 1 0 287.310 3.285 20 5 CGBDRO CSC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000305921722 619240813 /nfs/dbraw/zinc/24/08/13/619240813.db2.gz CDWNBSDALJLKHH-UHFFFAOYSA-N 1 0 284.356 3.061 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000094774295 619262948 /nfs/dbraw/zinc/26/29/48/619262948.db2.gz MGYARCDAHRLBHU-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000049130362 619702023 /nfs/dbraw/zinc/70/20/23/619702023.db2.gz AJGFIIKYSCYQSY-ZDUSSCGKSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@@H]([NH2+]C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016938 620273646 /nfs/dbraw/zinc/27/36/46/620273646.db2.gz QZXHCSOJXRPNNT-SECBINFHSA-N 1 0 252.289 3.327 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCOCC1 ZINC000897451496 620338577 /nfs/dbraw/zinc/33/85/77/620338577.db2.gz NXKYLDCFUDXTIC-UHFFFAOYSA-N 1 0 298.408 3.199 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000897464342 620339909 /nfs/dbraw/zinc/33/99/09/620339909.db2.gz LMYDXIIZUWDCMY-OSRDXIQISA-N 1 0 274.364 3.477 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463216 620340061 /nfs/dbraw/zinc/34/00/61/620340061.db2.gz CGSOQFFVOBJOHR-OLZOCXBDSA-N 1 0 280.368 3.101 20 5 CGBDRO Cc1occc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464386 620340387 /nfs/dbraw/zinc/34/03/87/620340387.db2.gz MDEBFBDATMIMFG-LLVKDONJSA-N 1 0 274.320 3.390 20 5 CGBDRO Cc1ccncc1C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464848 620340588 /nfs/dbraw/zinc/34/05/88/620340588.db2.gz PGUBRRNRVYCBPG-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925313411 620398253 /nfs/dbraw/zinc/39/82/53/620398253.db2.gz MUHZEWFKWFZUMG-ZFWWWQNUSA-N 1 0 280.368 3.014 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC000929164483 620518370 /nfs/dbraw/zinc/51/83/70/620518370.db2.gz KHGIFHBKKXLTTF-LMKPVCQUSA-N 1 0 296.317 3.318 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000903118580 621588185 /nfs/dbraw/zinc/58/81/85/621588185.db2.gz FLMTVGWOIUDGCB-DGCLKSJQSA-N 1 0 276.336 3.363 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC2(SC)CC2)cc([N+](=O)[O-])c1 ZINC000903160021 621604770 /nfs/dbraw/zinc/60/47/70/621604770.db2.gz TWTBLCQVIQAKPL-SNVBAGLBSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCCCF)cc([N+](=O)[O-])c1 ZINC000903174705 621613107 /nfs/dbraw/zinc/61/31/07/621613107.db2.gz MRBCJCYATSHUJN-SNVBAGLBSA-N 1 0 270.304 3.004 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000903263061 621648537 /nfs/dbraw/zinc/64/85/37/621648537.db2.gz BDMHRZJGDFDRPP-XFJVYGCCSA-N 1 0 290.363 3.121 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286911 621669493 /nfs/dbraw/zinc/66/94/93/621669493.db2.gz JFQYMDMUOIDTAR-BZPMIXESSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cccc(OCC[C@@H]2CCCC[N@H+]2C)c1[N+](=O)[O-] ZINC000915664552 624019894 /nfs/dbraw/zinc/01/98/94/624019894.db2.gz MIRLCTOLQDXXCT-ZDUSSCGKSA-N 1 0 278.352 3.156 20 5 CGBDRO CC(C)(/C=C/Cl)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000922651502 626026896 /nfs/dbraw/zinc/02/68/96/626026896.db2.gz WOFRQPPRTKVMOU-BQYQJAHWSA-N 1 0 254.717 3.216 20 5 CGBDRO CC1(C)C[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000922951743 626106567 /nfs/dbraw/zinc/10/65/67/626106567.db2.gz QZLULDQBBFQUDF-CYBMUJFWSA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000923026703 626121566 /nfs/dbraw/zinc/12/15/66/626121566.db2.gz CSHKMTDKVNJZOL-HNNXBMFYSA-N 1 0 290.363 3.095 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244198 626609331 /nfs/dbraw/zinc/60/93/31/626609331.db2.gz DTYBWWGMBQNFRJ-GDBMZVCRSA-N 1 0 292.379 3.283 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761511740 627047327 /nfs/dbraw/zinc/04/73/27/627047327.db2.gz OWNKKSAVVOMNAR-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC(F)(F)F)cc1Cl ZINC000761525356 627047861 /nfs/dbraw/zinc/04/78/61/627047861.db2.gz HNIAAPRXNGYZLE-UHFFFAOYSA-N 1 0 282.649 3.290 20 5 CGBDRO Cc1nc(F)ccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000785520958 628869101 /nfs/dbraw/zinc/86/91/01/628869101.db2.gz AKLHRSIYMRLRFZ-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO C[C@H]([NH2+]CCCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788648146 629070910 /nfs/dbraw/zinc/07/09/10/629070910.db2.gz YABIWCWORYAHPY-JTQLQIEISA-N 1 0 263.341 3.018 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CCC1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752119 629078969 /nfs/dbraw/zinc/07/89/69/629078969.db2.gz UYFHDWHXCYJMRD-WDEREUQCSA-N 1 0 277.368 3.406 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1(C)CCCC1 ZINC000792882551 629390556 /nfs/dbraw/zinc/39/05/56/629390556.db2.gz UUBBDLZVQQRJCV-UHFFFAOYSA-N 1 0 293.323 3.268 20 5 CGBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865502269 630156218 /nfs/dbraw/zinc/15/62/18/630156218.db2.gz IVVWGJCHENYKQC-UHFFFAOYSA-N 1 0 287.310 3.332 20 5 CGBDRO CCSCCC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000800527122 630291139 /nfs/dbraw/zinc/29/11/39/630291139.db2.gz LNXWBYQWZLQAST-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000801570707 630344226 /nfs/dbraw/zinc/34/42/26/630344226.db2.gz PQDBZXGYLZGMTP-IINYFYTJSA-N 1 0 292.360 3.041 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCCC[C@@H]1F ZINC000865698620 630387521 /nfs/dbraw/zinc/38/75/21/630387521.db2.gz DYHGTLRRPVEBTA-BPIHMUFXSA-N 1 0 278.327 3.478 20 5 CGBDRO CSCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000811471467 631070818 /nfs/dbraw/zinc/07/08/18/631070818.db2.gz CGFLAWJKVFZVKT-UHFFFAOYSA-N 1 0 295.191 3.354 20 5 CGBDRO C[C@@H]([NH2+]CCSC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815591519 631802664 /nfs/dbraw/zinc/80/26/64/631802664.db2.gz JNFCNTLIBCRDAF-SNVBAGLBSA-N 1 0 297.424 3.359 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815607819 631805412 /nfs/dbraw/zinc/80/54/12/631805412.db2.gz JIUZTVOGUBRAJQ-WPRPVWTQSA-N 1 0 285.294 3.015 20 5 CGBDRO C[C@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000816643969 632031351 /nfs/dbraw/zinc/03/13/51/632031351.db2.gz XVPOJSNUBLCRRI-QMMMGPOBSA-N 1 0 260.696 3.086 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819341836 632434624 /nfs/dbraw/zinc/43/46/24/632434624.db2.gz LENYJZMYTNDUCI-XPKDYRNWSA-N 1 0 292.379 3.044 20 5 CGBDRO CC(C)OCCC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217719 633032911 /nfs/dbraw/zinc/03/29/11/633032911.db2.gz OWNMGHFDTALHON-LBPRGKRZSA-N 1 0 298.358 3.070 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(C)C1 ZINC000866302451 633072893 /nfs/dbraw/zinc/07/28/93/633072893.db2.gz GYSAYDMFYNLFNU-QUNCOHTASA-N 1 0 266.316 3.053 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866486460 633155534 /nfs/dbraw/zinc/15/55/34/633155534.db2.gz IDQFINABIRWHJK-DRZSPHRISA-N 1 0 280.393 3.448 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1C[C@H](SC)C1 ZINC000866487856 633156893 /nfs/dbraw/zinc/15/68/93/633156893.db2.gz GVMMTASXUIFKSM-NHCYSSNCSA-N 1 0 296.392 3.148 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000866504507 633163413 /nfs/dbraw/zinc/16/34/13/633163413.db2.gz JDJPOAYQSWLCHV-HNNXBMFYSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000866583990 633202750 /nfs/dbraw/zinc/20/27/50/633202750.db2.gz WGJWKRYMUYVZJS-UPJWGTAASA-N 1 0 292.404 3.341 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880148121 635926024 /nfs/dbraw/zinc/92/60/24/635926024.db2.gz RMHUNIJDIOYULG-OLZOCXBDSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1C2CCC1CC2 ZINC000876561041 634857770 /nfs/dbraw/zinc/85/77/70/634857770.db2.gz ITGGQZCCWOFAMD-UHFFFAOYSA-N 1 0 260.337 3.338 20 5 CGBDRO CC(C)CC(=O)CC[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000828519927 633622996 /nfs/dbraw/zinc/62/29/96/633622996.db2.gz OFDQJNBLDAQBPF-UHFFFAOYSA-N 1 0 292.379 3.074 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CC1 ZINC000872016060 633937357 /nfs/dbraw/zinc/93/73/57/633937357.db2.gz CWBLQQFVFOTNPP-MRVPVSSYSA-N 1 0 252.339 3.130 20 5 CGBDRO CC(C)[N@H+](C)CCCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021258 633942085 /nfs/dbraw/zinc/94/20/85/633942085.db2.gz PRVLHVBHOMVRSR-GFCCVEGCSA-N 1 0 297.374 3.115 20 5 CGBDRO COC[C@@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872029640 633948370 /nfs/dbraw/zinc/94/83/70/633948370.db2.gz XHBBOWJTGZKMSJ-WDEREUQCSA-N 1 0 298.408 3.250 20 5 CGBDRO CCC[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033354 633951584 /nfs/dbraw/zinc/95/15/84/633951584.db2.gz BRPHUQAUGCIIQV-JQWIXIFHSA-N 1 0 298.408 3.128 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(C)COC1 ZINC000872033300 633951813 /nfs/dbraw/zinc/95/18/13/633951813.db2.gz BGVDYWZJKIULCM-SNVBAGLBSA-N 1 0 296.392 3.004 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033686 633952452 /nfs/dbraw/zinc/95/24/52/633952452.db2.gz DNYPDXGPFUBABR-FIXISWKDSA-N 1 0 298.358 3.182 20 5 CGBDRO COC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872039139 633958728 /nfs/dbraw/zinc/95/87/28/633958728.db2.gz QVHYKLOZPZJDDG-JQWIXIFHSA-N 1 0 284.331 3.056 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000872053500 633976889 /nfs/dbraw/zinc/97/68/89/633976889.db2.gz YCGFHSJAQFUEDF-SCDSUCTJSA-N 1 0 296.342 3.342 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000872053495 633977181 /nfs/dbraw/zinc/97/71/81/633977181.db2.gz YCGFHSJAQFUEDF-JKOKRWQUSA-N 1 0 296.342 3.342 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073410 633995940 /nfs/dbraw/zinc/99/59/40/633995940.db2.gz QPTSVPSLBZJYDZ-NWDGAFQWSA-N 1 0 297.374 3.113 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@H](C)O ZINC000872076802 634000822 /nfs/dbraw/zinc/00/08/22/634000822.db2.gz SPRIQNAREWVQRN-KWBADKCTSA-N 1 0 298.408 3.127 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCO1 ZINC000872079528 634002864 /nfs/dbraw/zinc/00/28/64/634002864.db2.gz ILZJZXDRGMOWLY-SDDRHHMPSA-N 1 0 296.342 3.342 20 5 CGBDRO COC1CCC([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872080323 634004407 /nfs/dbraw/zinc/00/44/07/634004407.db2.gz VXNCQBIRKWBEGF-UNXYVOJBSA-N 1 0 296.342 3.342 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000872129790 634050986 /nfs/dbraw/zinc/05/09/86/634050986.db2.gz UGAXMBZKKAFGQN-DFBGVHRSSA-N 1 0 290.363 3.203 20 5 CGBDRO CC(C)[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872129575 634051191 /nfs/dbraw/zinc/05/11/91/634051191.db2.gz MAVVGVZJLZZJBI-IOASZLSFSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000872129809 634051242 /nfs/dbraw/zinc/05/12/42/634051242.db2.gz UZRXQUNVUNNYPZ-SWHYSGLUSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOC(C)C ZINC000873008965 634230409 /nfs/dbraw/zinc/23/04/09/634230409.db2.gz XIYXTOZTIQTMCW-UHFFFAOYSA-N 1 0 280.368 3.116 20 5 CGBDRO Cc1c(C[NH2+]C[C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000873069562 634241095 /nfs/dbraw/zinc/24/10/95/634241095.db2.gz JZHZVNRHSWSYOD-LBPRGKRZSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ncc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000873089762 634244848 /nfs/dbraw/zinc/24/48/48/634244848.db2.gz GVMRKKBPGDGVQQ-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO Cc1c(C[NH2+]CCC[C@H]2CCCCO2)cccc1[N+](=O)[O-] ZINC000873107293 634246909 /nfs/dbraw/zinc/24/69/09/634246909.db2.gz NHLIFEXOBHGTIU-OAHLLOKOSA-N 1 0 292.379 3.342 20 5 CGBDRO CO[C@@](C)(C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC1 ZINC000873127750 634251705 /nfs/dbraw/zinc/25/17/05/634251705.db2.gz UZKZESWGQXNNEY-INIZCTEOSA-N 1 0 292.379 3.116 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC(C)(C)F ZINC000873137492 634256113 /nfs/dbraw/zinc/25/61/13/634256113.db2.gz WWJBNFHABCWWGH-UHFFFAOYSA-N 1 0 268.332 3.439 20 5 CGBDRO COC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000877707877 635158781 /nfs/dbraw/zinc/15/87/81/635158781.db2.gz NPNAXGMHHQOTLE-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CC1(C)CO[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877806159 635209213 /nfs/dbraw/zinc/20/92/13/635209213.db2.gz UUOICKIRGZVQRO-NSHDSACASA-N 1 0 298.770 3.153 20 5 CGBDRO CCC[NH2+][C@H](C)c1nc(-c2cccc([N+](=O)[O-])c2C)no1 ZINC000843238485 635624016 /nfs/dbraw/zinc/62/40/16/635624016.db2.gz RVPJBTPXTUJMMJ-SNVBAGLBSA-N 1 0 290.323 3.014 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000880091738 635911170 /nfs/dbraw/zinc/91/11/70/635911170.db2.gz GFWCJHTUSLFVTD-LMOYCYGVSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC1(CC)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000880093882 635911786 /nfs/dbraw/zinc/91/17/86/635911786.db2.gz NRWZDIQBEULTGL-UHFFFAOYSA-N 1 0 267.329 3.046 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCO1 ZINC000131033621 636545054 /nfs/dbraw/zinc/54/50/54/636545054.db2.gz DEBLPBXAVHXWLY-GFCCVEGCSA-N 1 0 298.770 3.249 20 5 CGBDRO CC(C)C[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848476970 636579697 /nfs/dbraw/zinc/57/96/97/636579697.db2.gz JIXGBZFVMGJELC-UHFFFAOYSA-N 1 0 288.351 3.004 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCNc1ccccc1 ZINC000848531665 636592432 /nfs/dbraw/zinc/59/24/32/636592432.db2.gz QZHFIHRZNPCGAE-MRXNPFEDSA-N 1 0 297.358 3.284 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OC1 ZINC000883243626 636610723 /nfs/dbraw/zinc/61/07/23/636610723.db2.gz QWSBLCWCZRFHNK-CYBMUJFWSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC2(CCC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000883356254 636697018 /nfs/dbraw/zinc/69/70/18/636697018.db2.gz JRHRZWXDUQCXSO-IUODEOHRSA-N 1 0 290.363 3.347 20 5 CGBDRO COC1CC(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000850341220 637020313 /nfs/dbraw/zinc/02/03/13/637020313.db2.gz CEOSCKPHWOOQAU-UHFFFAOYSA-N 1 0 298.770 3.153 20 5 CGBDRO CC[N@H+](CCc1cccs1)Cc1cccnc1[N+](=O)[O-] ZINC000885971383 637339335 /nfs/dbraw/zinc/33/93/35/637339335.db2.gz YQGRCBKBLQNWBQ-UHFFFAOYSA-N 1 0 291.376 3.116 20 5 CGBDRO CC(C)[C@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886015032 637364084 /nfs/dbraw/zinc/36/40/84/637364084.db2.gz UUYNEBFTEZMXOD-CYBMUJFWSA-N 1 0 263.341 3.000 20 5 CGBDRO Cc1ccc(C[C@@H](C)[N@H+](C)Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886017059 637365241 /nfs/dbraw/zinc/36/52/41/637365241.db2.gz RDOXELXHGMQJEH-CQSZACIVSA-N 1 0 299.374 3.361 20 5 CGBDRO CC(C)C[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039231 637380846 /nfs/dbraw/zinc/38/08/46/637380846.db2.gz IFSXSKAWJYJQBW-CYBMUJFWSA-N 1 0 277.368 3.248 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000886049654 637387798 /nfs/dbraw/zinc/38/77/98/637387798.db2.gz RBFQQVPQKILDLW-ZBFHGGJFSA-N 1 0 292.379 3.075 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000886049651 637388022 /nfs/dbraw/zinc/38/80/22/637388022.db2.gz RBFQQVPQKILDLW-GDBMZVCRSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@](C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000886112390 637420705 /nfs/dbraw/zinc/42/07/05/637420705.db2.gz WWVRRRYACSFGMA-INIZCTEOSA-N 1 0 285.347 3.405 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000886123263 637424742 /nfs/dbraw/zinc/42/47/42/637424742.db2.gz VOQILBSZPQSXSE-BNOWGMLFSA-N 1 0 275.352 3.000 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158360 637441247 /nfs/dbraw/zinc/44/12/47/637441247.db2.gz XSGVJQXORPPORM-YPMHNXCESA-N 1 0 263.341 3.000 20 5 CGBDRO CCC(C)(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000852355461 637641833 /nfs/dbraw/zinc/64/18/33/637641833.db2.gz VGZBPKFYRCEXGC-SNVBAGLBSA-N 1 0 295.339 3.417 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886716118 637670232 /nfs/dbraw/zinc/67/02/32/637670232.db2.gz OPGFWEYADBSOLY-IUODEOHRSA-N 1 0 292.379 3.451 20 5 CGBDRO C[N@H+](CC1=CCSC1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000852747518 637704992 /nfs/dbraw/zinc/70/49/92/637704992.db2.gz MHZTUCWOYYNOHW-UHFFFAOYSA-N 1 0 298.795 3.353 20 5 CGBDRO C[C@@H]([NH2+]C1(C2CC2)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000886825356 637709675 /nfs/dbraw/zinc/70/96/75/637709675.db2.gz RCHFMDQPKLGEIJ-SNVBAGLBSA-N 1 0 275.352 3.160 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1(Cl)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000926893958 638822495 /nfs/dbraw/zinc/82/24/95/638822495.db2.gz UUMCHSVACXEOBU-NXEZZACHSA-N 1 0 268.744 3.405 20 5 CGBDRO CC[C@H](c1ccccc1)[N@H+](CC[N+](=O)[O-])C(C)C ZINC000931064064 639106384 /nfs/dbraw/zinc/10/63/84/639106384.db2.gz LFOSJOUSTYQZAR-CQSZACIVSA-N 1 0 250.342 3.125 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178547 639288206 /nfs/dbraw/zinc/28/82/06/639288206.db2.gz PGDZMWCEABEXFY-DOMZBBRYSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+][C@H](CCO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000934007121 639523305 /nfs/dbraw/zinc/52/33/05/639523305.db2.gz VUFIJYDDQYRPSN-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C1CC1)C1CC1 ZINC000195227592 640573916 /nfs/dbraw/zinc/57/39/16/640573916.db2.gz TVWFEUDUWGBUHL-UHFFFAOYSA-N 1 0 278.327 3.354 20 5 CGBDRO Cc1ccc(Nc2cccc(CC[NH3+])c2)c([N+](=O)[O-])c1 ZINC001159671835 806146744 /nfs/dbraw/zinc/14/67/44/806146744.db2.gz JIOIMRSNCNBCBA-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO c1ccc2nc3c(cccc3NC3=CCC[NH2+]CC3)nc2c1 ZINC001159728059 806161617 /nfs/dbraw/zinc/16/16/17/806161617.db2.gz IMRQXAQGZONGSD-UHFFFAOYSA-N 1 0 290.370 3.462 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(-n2ccc3cccc(C[NH3+])c32)n1 ZINC001160456642 806273458 /nfs/dbraw/zinc/27/34/58/806273458.db2.gz OXROSBSOGRMMEL-UHFFFAOYSA-N 1 0 296.330 3.009 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C1CC1 ZINC001254532309 806444829 /nfs/dbraw/zinc/44/48/29/806444829.db2.gz MQQCRSJCUSXILQ-NSHDSACASA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C1CCC1 ZINC001254549049 806448219 /nfs/dbraw/zinc/44/82/19/806448219.db2.gz QTXXZJLPOMDCIU-VXGBXAGGSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(F)CC1 ZINC001254550359 806448292 /nfs/dbraw/zinc/44/82/92/806448292.db2.gz IHDWWRNGZQGVNZ-LBPRGKRZSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC(F)(F)CC1 ZINC001254550727 806448452 /nfs/dbraw/zinc/44/84/52/806448452.db2.gz PQXGPULLSGANMR-NSHDSACASA-N 1 0 284.306 3.257 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC2CCC1CC2 ZINC001254560610 806451034 /nfs/dbraw/zinc/45/10/34/806451034.db2.gz WMMFHLLYUISVRA-OPFPJEHXSA-N 1 0 274.364 3.400 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])N1CCn2cccc2[C@H]1C ZINC001254560489 806451347 /nfs/dbraw/zinc/45/13/47/806451347.db2.gz UCXYPJACBUPRQN-ZIAGYGMSSA-N 1 0 299.374 3.404 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C2 ZINC001254566055 806452773 /nfs/dbraw/zinc/45/27/73/806452773.db2.gz HCCFVIVFGYKFAE-ZWNOBZJWSA-N 1 0 296.317 3.087 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CCCCCC1)C2 ZINC001254567952 806453345 /nfs/dbraw/zinc/45/33/45/806453345.db2.gz DFRUFHYUGGWXSN-HNNXBMFYSA-N 1 0 274.364 3.374 20 5 CGBDRO CCCC[N@H+](CC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598658 806458560 /nfs/dbraw/zinc/45/85/60/806458560.db2.gz LJZJZMKVZGPZAC-HNNXBMFYSA-N 1 0 262.353 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1Cc3ccc(F)cc3C1)C2 ZINC001254602308 806458780 /nfs/dbraw/zinc/45/87/80/806458780.db2.gz CYAIABGJSAQFRQ-KRWDZBQOSA-N 1 0 298.317 3.217 20 5 CGBDRO CCC[N@H+](CC)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037095022 798859311 /nfs/dbraw/zinc/85/93/11/798859311.db2.gz RGPULFXIJKKYDK-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453232893 799635226 /nfs/dbraw/zinc/63/52/26/799635226.db2.gz VIJDPWSDFMBRSJ-CQDKDKBSSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1c(C[NH2+]CC[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000704840556 799942777 /nfs/dbraw/zinc/94/27/77/799942777.db2.gz JVQOBCUEXDXBIV-GFCCVEGCSA-N 1 0 280.393 3.136 20 5 CGBDRO C[NH+](C)C1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000715563536 800138381 /nfs/dbraw/zinc/13/83/81/800138381.db2.gz WAZGIMSNYZGMSQ-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716642836 800177003 /nfs/dbraw/zinc/17/70/03/800177003.db2.gz XMNZONWPKPWGHG-NUGNTBJXSA-N 1 0 266.366 3.038 20 5 CGBDRO C[C@H](C[NH+](C)C)Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001163782476 806826888 /nfs/dbraw/zinc/82/68/88/806826888.db2.gz JHSDTEWZORSQOG-LLVKDONJSA-N 1 0 273.336 3.110 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@@H](C)C[NH+](C)C ZINC001163785037 806827698 /nfs/dbraw/zinc/82/76/98/806827698.db2.gz AHLKMHUSEGUUOW-LBPRGKRZSA-N 1 0 295.383 3.052 20 5 CGBDRO CC(C)N(CCC[NH3+])c1ncnc2cc3ccccc3cc21 ZINC001164121853 806896379 /nfs/dbraw/zinc/89/63/79/806896379.db2.gz ZPEXECZELLIEEE-UHFFFAOYSA-N 1 0 294.402 3.347 20 5 CGBDRO CCC1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC001167342419 807184692 /nfs/dbraw/zinc/18/46/92/807184692.db2.gz WZPWUBXKAUHZDK-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC001168958547 807541501 /nfs/dbraw/zinc/54/15/01/807541501.db2.gz OEFJQKYZQFBEOA-WQVCFCJDSA-N 1 0 274.364 3.173 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001168978054 807545755 /nfs/dbraw/zinc/54/57/55/807545755.db2.gz NWXJVEJBZQZPRZ-BPUTZDHNSA-N 1 0 276.380 3.481 20 5 CGBDRO Cc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978603 807545814 /nfs/dbraw/zinc/54/58/14/807545814.db2.gz STHLOJQAYZJWLZ-NOLJZWGESA-N 1 0 274.364 3.017 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1 ZINC001168980676 807545943 /nfs/dbraw/zinc/54/59/43/807545943.db2.gz FNLIVCGDHMSTEH-GYSYKLTISA-N 1 0 282.771 3.436 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168979893 807546059 /nfs/dbraw/zinc/54/60/59/807546059.db2.gz BZLMBQXOKXAURG-HZMBPMFUSA-N 1 0 298.333 3.235 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168988597 807548002 /nfs/dbraw/zinc/54/80/02/807548002.db2.gz SSORLSJQWCDFDJ-TZMCWYRMSA-N 1 0 268.401 3.380 20 5 CGBDRO Cc1ccc(Cl)c(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168988060 807548294 /nfs/dbraw/zinc/54/82/94/807548294.db2.gz NBOVSRQDZCOWKW-WCQYABFASA-N 1 0 282.771 3.183 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1C ZINC001169003091 807550212 /nfs/dbraw/zinc/55/02/12/807550212.db2.gz NEAILZNASHSBSC-QLFBSQMISA-N 1 0 276.380 3.399 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1C ZINC001169003090 807550455 /nfs/dbraw/zinc/55/04/55/807550455.db2.gz NEAILZNASHSBSC-KFWWJZLASA-N 1 0 276.380 3.399 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC001169010950 807551151 /nfs/dbraw/zinc/55/11/51/807551151.db2.gz GMVVBYNWNXQZQI-ZIAGYGMSSA-N 1 0 266.385 3.088 20 5 CGBDRO CC[N@H+]([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009036 807552167 /nfs/dbraw/zinc/55/21/67/807552167.db2.gz UMPJDMGKDGGBNX-GXTWGEPZSA-N 1 0 254.374 3.086 20 5 CGBDRO C[N@H+](Cc1cccc2cccnc21)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036495 807555439 /nfs/dbraw/zinc/55/54/39/807555439.db2.gz OTDWFTBCQFJDDF-XJKSGUPXSA-N 1 0 299.374 3.112 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036508 807556307 /nfs/dbraw/zinc/55/63/07/807556307.db2.gz GFARUBUXSKVDTO-DGCLKSJQSA-N 1 0 294.782 3.144 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170329548 807825782 /nfs/dbraw/zinc/82/57/82/807825782.db2.gz RCBUIKQICFRHFZ-CYBMUJFWSA-N 1 0 292.379 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCCC13CC3)CC2 ZINC001172907530 808476423 /nfs/dbraw/zinc/47/64/23/808476423.db2.gz GWYPANYWLOBHBP-OAHLLOKOSA-N 1 0 286.375 3.471 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@@H+]2CC[C@@H](C)C2)c1F ZINC001173181803 808533189 /nfs/dbraw/zinc/53/31/89/808533189.db2.gz PWDNKCDSRFRBPH-MNOVXSKESA-N 1 0 296.342 3.015 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C(C)C)c1F ZINC001173176102 808533236 /nfs/dbraw/zinc/53/32/36/808533236.db2.gz XLAKGWFWDOYZOB-MNOVXSKESA-N 1 0 298.358 3.308 20 5 CGBDRO CC[C@H](C)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175882 808533250 /nfs/dbraw/zinc/53/32/50/808533250.db2.gz UMNPHJVURWAKHO-QWRGUYRKSA-N 1 0 298.358 3.309 20 5 CGBDRO CCC[N@H+](CC)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184915 808533417 /nfs/dbraw/zinc/53/34/17/808533417.db2.gz PJBAHMBCOHKOFH-LLVKDONJSA-N 1 0 298.358 3.405 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173209749 808537986 /nfs/dbraw/zinc/53/79/86/808537986.db2.gz FHHVZTDRZADWJB-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC001173217070 808538408 /nfs/dbraw/zinc/53/84/08/808538408.db2.gz KZFPVTPYVRQSMX-UZMCECQYSA-N 1 0 274.364 3.304 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222967 808539807 /nfs/dbraw/zinc/53/98/07/808539807.db2.gz VVJMSKBDMNBINZ-XJKSGUPXSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccncc1 ZINC001173218040 808540363 /nfs/dbraw/zinc/54/03/63/808540363.db2.gz ISBMMNFNYURMMJ-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CC(F)(F)C1 ZINC001173224712 808541158 /nfs/dbraw/zinc/54/11/58/808541158.db2.gz GULAOJQDXVNQOT-JTQLQIEISA-N 1 0 284.306 3.255 20 5 CGBDRO CCC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC001173224938 808541920 /nfs/dbraw/zinc/54/19/20/808541920.db2.gz PMBUWSFNKSCCPD-GFCCVEGCSA-N 1 0 262.353 3.448 20 5 CGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccsc1[N+](=O)[O-] ZINC001185046182 810231144 /nfs/dbraw/zinc/23/11/44/810231144.db2.gz HZOZRAXOXRLWFY-UHFFFAOYSA-N 1 0 297.424 3.357 20 5 CGBDRO CCC[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001192910831 810826938 /nfs/dbraw/zinc/82/69/38/810826938.db2.gz XGHRZODPIXAUJW-LBPRGKRZSA-N 1 0 290.285 3.413 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]CCOc2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC001193594305 810914432 /nfs/dbraw/zinc/91/44/32/810914432.db2.gz SAXYWSSCVGZDPT-IOASZLSFSA-N 1 0 292.379 3.388 20 5 CGBDRO O=[N+]([O-])c1cc(O)cc(Nc2cc[nH+]c(C3CC3)c2)c1 ZINC001199828506 811601232 /nfs/dbraw/zinc/60/12/32/811601232.db2.gz KPDHJNZRLRMDHF-UHFFFAOYSA-N 1 0 271.276 3.316 20 5 CGBDRO COc1ccc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC001203692649 812430530 /nfs/dbraw/zinc/43/05/30/812430530.db2.gz YWIXRURNWCZDRR-BFHYXJOUSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1ccccc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001206150422 813214014 /nfs/dbraw/zinc/21/40/14/813214014.db2.gz SVPLYDWDPDXDAP-UHFFFAOYSA-N 1 0 284.319 3.334 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(CCC2)C1 ZINC001206185572 813232151 /nfs/dbraw/zinc/23/21/51/813232151.db2.gz BISWFARFCCFMMD-JYRVWZFOSA-N 1 0 272.348 3.484 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(CCC2)C1 ZINC001206185573 813232402 /nfs/dbraw/zinc/23/24/02/813232402.db2.gz BISWFARFCCFMMD-MDWZMJQESA-N 1 0 272.348 3.484 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCCCCc1ccccc1 ZINC001209833789 814156388 /nfs/dbraw/zinc/15/63/88/814156388.db2.gz XVOZOYSHMFXXDF-HNNXBMFYSA-N 1 0 250.406 3.121 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C1 ZINC001217951751 816013793 /nfs/dbraw/zinc/01/37/93/816013793.db2.gz SMNGSTJDIAPMRP-SHTZXODSSA-N 1 0 298.342 3.391 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2cc([N+](=O)[O-])c(Cl)cc2Cl)C1 ZINC001217951001 816014004 /nfs/dbraw/zinc/01/40/04/816014004.db2.gz ONVGPLDQSGUXDG-LJGSYFOKSA-N 1 0 291.134 3.031 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217972461 816025080 /nfs/dbraw/zinc/02/50/80/816025080.db2.gz RSUFGFYWOVEJQZ-CYBMUJFWSA-N 1 0 292.379 3.413 20 5 CGBDRO C[C@H](Oc1cc(Cl)ccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218000672 816044478 /nfs/dbraw/zinc/04/44/78/816044478.db2.gz BRZKGQWCKUTDMN-VIFPVBQESA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001218034092 816066588 /nfs/dbraw/zinc/06/65/88/816066588.db2.gz LRLIIEXPUHFHCU-SJKOYZFVSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc3nc4ccccc4nc3c2)CC[NH2+]1 ZINC001218056451 816078891 /nfs/dbraw/zinc/07/88/91/816078891.db2.gz ODUBSQDOUMAMGX-TZMCWYRMSA-N 1 0 293.370 3.302 20 5 CGBDRO C[C@H](Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1)C1C[NH2+]C1 ZINC001218198671 816124756 /nfs/dbraw/zinc/12/47/56/816124756.db2.gz OXIZGYDMSUDEAE-LBPRGKRZSA-N 1 0 298.342 3.249 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@H]3CCC[NH2+]C3)cc2)c1 ZINC001218285274 816152607 /nfs/dbraw/zinc/15/26/07/816152607.db2.gz IAIIJZDOWVFWKD-KRWDZBQOSA-N 1 0 298.342 3.393 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(O[C@H]2CCC[NH2+]C2)cc1 ZINC001218284765 816152981 /nfs/dbraw/zinc/15/29/81/816152981.db2.gz BWGGRUOZMMNAOB-HNNXBMFYSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001218386711 816186787 /nfs/dbraw/zinc/18/67/87/816186787.db2.gz WDGRBFSQJDDHQW-BDJLRTHQSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218394877 816189919 /nfs/dbraw/zinc/18/99/19/816189919.db2.gz ZMPGQWSSIISGKT-MEDUHNTESA-N 1 0 264.328 3.127 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2C[NH2+]CCC23CC3)c2ccccc21 ZINC001218400164 816193722 /nfs/dbraw/zinc/19/37/22/816193722.db2.gz RPBQWOPGYJUYAC-INIZCTEOSA-N 1 0 298.342 3.269 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218420094 816206207 /nfs/dbraw/zinc/20/62/07/816206207.db2.gz QZSQCIGJCYYDOW-XHDPSFHLSA-N 1 0 286.331 3.125 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218476681 816234084 /nfs/dbraw/zinc/23/40/84/816234084.db2.gz JPQZOIOWNVOMJX-LBPRGKRZSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218487433 816242511 /nfs/dbraw/zinc/24/25/11/816242511.db2.gz IWJUYTRJRWDPKJ-KRWDZBQOSA-N 1 0 298.342 3.435 20 5 CGBDRO CC(C)c1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001222118374 816353490 /nfs/dbraw/zinc/35/34/90/816353490.db2.gz VPCTVMKXGZDKFZ-AWEZNQCLSA-N 1 0 250.406 3.421 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC001223223938 816590749 /nfs/dbraw/zinc/59/07/49/816590749.db2.gz GVXDPOCQQKWCEJ-CYBMUJFWSA-N 1 0 280.368 3.150 20 5 CGBDRO CC[NH+](CC)C[C@H](C)OCc1cccc(C)c1[N+](=O)[O-] ZINC001223661486 816664447 /nfs/dbraw/zinc/66/44/47/816664447.db2.gz RCVFDWPHYLQRNM-ZDUSSCGKSA-N 1 0 280.368 3.150 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H](c1ccccc1)c1ccccn1 ZINC001224622710 816834575 /nfs/dbraw/zinc/83/45/75/816834575.db2.gz IZFJZESKXWOADK-SFHVURJKSA-N 1 0 285.411 3.284 20 5 CGBDRO CC(C)[C@@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224624113 816835249 /nfs/dbraw/zinc/83/52/49/816835249.db2.gz UVUDSMHPSPITJO-MRXNPFEDSA-N 1 0 250.406 3.497 20 5 CGBDRO CCOc1ccc([C@H](C)OCCC[N+](C)(C)C)cc1 ZINC001224624784 816835704 /nfs/dbraw/zinc/83/57/04/816835704.db2.gz YZVWGAGCDMOWLZ-AWEZNQCLSA-N 1 0 266.405 3.259 20 5 CGBDRO C[C@@H](OCC[N+](C)(C)C)c1cccc(OC(F)(F)F)c1 ZINC001224773232 816877823 /nfs/dbraw/zinc/87/78/23/816877823.db2.gz GYZPTQKIVVVJJN-LLVKDONJSA-N 1 0 292.321 3.369 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCCCCCOc1ccccc1 ZINC001224937424 816912792 /nfs/dbraw/zinc/91/27/92/816912792.db2.gz ZZDRUBURLPCGHI-INIZCTEOSA-N 1 0 280.432 3.347 20 5 CGBDRO Cc1cc2c(ccc(O[C@@H](C)C[N+](C)(C)C)c2F)[nH]1 ZINC001225638167 817122244 /nfs/dbraw/zinc/12/22/44/817122244.db2.gz BLESSYIAGBWODA-NSHDSACASA-N 1 0 265.352 3.089 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC001225681603 817139548 /nfs/dbraw/zinc/13/95/48/817139548.db2.gz CKPUOGWYVJFCLP-CYBMUJFWSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)ccc1Br ZINC001225683819 817140943 /nfs/dbraw/zinc/14/09/43/817140943.db2.gz FVVOIULDWLZTGA-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1Br ZINC001225752205 817168346 /nfs/dbraw/zinc/16/83/46/817168346.db2.gz BEDXBUPDKIPMGG-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001225945121 817226571 /nfs/dbraw/zinc/22/65/71/817226571.db2.gz COZDUCYHUUDSPZ-UHFFFAOYSA-N 1 0 296.342 3.376 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001226510107 817380244 /nfs/dbraw/zinc/38/02/44/817380244.db2.gz YHKFGPCXTATDDB-LBPRGKRZSA-N 1 0 286.331 3.221 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1c(C)cccc1[N+](=O)[O-] ZINC001226968276 817520490 /nfs/dbraw/zinc/52/04/90/817520490.db2.gz FJCYVVDDPLOIJT-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1O[C@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001226971727 817521719 /nfs/dbraw/zinc/52/17/19/817521719.db2.gz ROJNNPJZVFRTDE-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C2 ZINC001227523563 817664529 /nfs/dbraw/zinc/66/45/29/817664529.db2.gz MLGHGXDWKPPGHT-FOLVSLTJSA-N 1 0 290.363 3.377 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)nc(C(F)(F)F)c1 ZINC001233807465 818709530 /nfs/dbraw/zinc/70/95/30/818709530.db2.gz DGHKHWHRLJDLCH-QMMMGPOBSA-N 1 0 297.728 3.227 20 5 CGBDRO C[NH+]1C(C)(C)CC(Oc2ccnc([N+](=O)[O-])c2)CC1(C)C ZINC001233856765 818718585 /nfs/dbraw/zinc/71/85/85/818718585.db2.gz GIJTXXJVBKGWIL-UHFFFAOYSA-N 1 0 293.367 3.020 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c2cc(O)ccc12 ZINC001234691969 818917111 /nfs/dbraw/zinc/91/71/11/818917111.db2.gz HNMOITYYFPKUIS-LLVKDONJSA-O 1 0 278.347 3.158 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C)CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001234871807 818941437 /nfs/dbraw/zinc/94/14/37/818941437.db2.gz OBVDFMGBNDLBER-AWEZNQCLSA-N 1 0 292.379 3.383 20 5 CGBDRO c1cnc2c(c1)ccc1cc(C3=CC[NH2+]CC3)cnc12 ZINC001240468645 821076552 /nfs/dbraw/zinc/07/65/52/821076552.db2.gz IQGUBSSEHGRBJT-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+]C(C)(C)C1CCCCC1 ZINC001352890123 937053202 /nfs/dbraw/zinc/05/32/02/937053202.db2.gz OYGRAULDKPSHOG-UHFFFAOYSA-N 1 0 294.399 3.048 20 5 CGBDRO CCC[C@@]1(C)CCC[N@H+](CCn2c(C)ncc2[N+](=O)[O-])C1 ZINC001459572718 937492351 /nfs/dbraw/zinc/49/23/51/937492351.db2.gz MNMJTCNRVGDFTG-HNNXBMFYSA-N 1 0 294.399 3.002 20 5 CGBDRO Cc1ccccc1[C@H](C)[N@@H+](CC[N+](=O)[O-])CC(C)C ZINC001460088861 937515386 /nfs/dbraw/zinc/51/53/86/937515386.db2.gz MVNNRSZPVPKRSR-AWEZNQCLSA-N 1 0 264.369 3.291 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(-c2ccccc2)cn1 ZINC001229078230 932087968 /nfs/dbraw/zinc/08/79/68/932087968.db2.gz QXXNPVZNCXAUGX-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO CCCc1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001229287829 932127666 /nfs/dbraw/zinc/12/76/66/932127666.db2.gz VFQMMZOISSQJEB-CYBMUJFWSA-N 1 0 266.405 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1OC1CC[NH+](C2CC2)CC1 ZINC001229378369 932142407 /nfs/dbraw/zinc/14/24/07/932142407.db2.gz WCUQEGBPOIHSQH-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Cl)c2ccccc21 ZINC001229482349 932158772 /nfs/dbraw/zinc/15/87/72/932158772.db2.gz DJERNHICZZEKAE-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2c(Cl)ccnc12 ZINC001229558585 932171552 /nfs/dbraw/zinc/17/15/52/932171552.db2.gz ZKPMFHTUORDCPP-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001229881422 932497613 /nfs/dbraw/zinc/49/76/13/932497613.db2.gz WEWIQCLCNFNEHV-AWEZNQCLSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1nccc2c3ccc(O[C@@H](C)C[N+](C)(C)C)cc3[nH]c21 ZINC001229975844 932515508 /nfs/dbraw/zinc/51/55/08/932515508.db2.gz LIJDIEQUVXELMI-LBPRGKRZSA-N 1 0 298.410 3.498 20 5 CGBDRO CC(C)c1nc(O[C@@H](C)C[N+](C)(C)C)nc2ccccc21 ZINC001230080550 932532927 /nfs/dbraw/zinc/53/29/27/932532927.db2.gz PXVSQRZPRIESKA-ZDUSSCGKSA-N 1 0 288.415 3.227 20 5 CGBDRO Cc1ccc(O[C@@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230146821 932536482 /nfs/dbraw/zinc/53/64/82/932536482.db2.gz XTCDFNXQJOZFAO-CYBMUJFWSA-N 1 0 278.352 3.155 20 5 CGBDRO CCCC1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC001331254964 932685780 /nfs/dbraw/zinc/68/57/80/932685780.db2.gz RFWKYBBPMYOGIT-UHFFFAOYSA-N 1 0 263.341 3.002 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC001306978556 932904779 /nfs/dbraw/zinc/90/47/79/932904779.db2.gz JTTMLGPYDJPUQC-AWEZNQCLSA-N 1 0 291.395 3.214 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001308298794 933091330 /nfs/dbraw/zinc/09/13/30/933091330.db2.gz YKYJOBQOGHEUHW-GJZGRUSLSA-N 1 0 292.379 3.115 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCC(F)F ZINC001334041030 936080815 /nfs/dbraw/zinc/08/08/15/936080815.db2.gz SLLAXYYNTMGPIE-LLVKDONJSA-N 1 0 270.279 3.217 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOCC1CCC1 ZINC001474189812 937843397 /nfs/dbraw/zinc/84/33/97/937843397.db2.gz TWKTYUAEUJMPOQ-UHFFFAOYSA-N 1 0 292.379 3.118 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1C=CCC1 ZINC001474249846 937846506 /nfs/dbraw/zinc/84/65/06/937846506.db2.gz VMAYGJLRJMYANI-LBPRGKRZSA-N 1 0 276.336 3.049 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCOCC1 ZINC001474390991 937857146 /nfs/dbraw/zinc/85/71/46/937857146.db2.gz KOQVQQFITHAYIJ-UKRRQHHQSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001559305364 938225027 /nfs/dbraw/zinc/22/50/27/938225027.db2.gz GUADCOKHEHVWAO-CYBMUJFWSA-N 1 0 279.384 3.436 20 5 CGBDRO C[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC001559654190 938231903 /nfs/dbraw/zinc/23/19/03/938231903.db2.gz DCELOYQIVJZLCR-ZIAGYGMSSA-N 1 0 292.379 3.342 20 5 CGBDRO CC(C)(C)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001559690525 938232788 /nfs/dbraw/zinc/23/27/88/938232788.db2.gz OQIZONYGWOLFMI-ZDUSSCGKSA-N 1 0 268.332 3.169 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC001559769772 938235296 /nfs/dbraw/zinc/23/52/96/938235296.db2.gz SGSDWOQDCREPTE-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1 ZINC001560075337 938243105 /nfs/dbraw/zinc/24/31/05/938243105.db2.gz BAWCOTXOVWUBTI-GASCZTMLSA-N 1 0 272.348 3.035 20 5 CGBDRO Cc1ccc(NC(=O)c2ccc([C@@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC001579722276 962665483 /nfs/dbraw/zinc/66/54/83/962665483.db2.gz CBQQMNKNBFITSD-LLVKDONJSA-N 1 0 299.330 3.175 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337999283 214354059 /nfs/dbraw/zinc/35/40/59/214354059.db2.gz OPWOISBAJRWZSF-UONOGXRCSA-N 1 0 260.337 3.263 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC2(CC(F)C2)C1 ZINC000590969296 346891570 /nfs/dbraw/zinc/89/15/70/346891570.db2.gz MNKQOCLFMWUMIV-LFYBBSHMSA-N 1 0 290.338 3.432 20 5 CGBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000295068730 199328972 /nfs/dbraw/zinc/32/89/72/199328972.db2.gz HDNSZESUBFVGNI-AWEZNQCLSA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273172640 192065174 /nfs/dbraw/zinc/06/51/74/192065174.db2.gz CELLUOZHRQQHRB-MCIONIFRSA-N 1 0 292.379 3.451 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)CC1=CCCC1 ZINC000592120317 346964296 /nfs/dbraw/zinc/96/42/96/346964296.db2.gz FLLCHSGSPJKDPY-UHFFFAOYSA-N 1 0 260.337 3.179 20 5 CGBDRO CCCC[C@](C)(CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592374465 346980222 /nfs/dbraw/zinc/98/02/22/346980222.db2.gz IUPXHJKLNBUTTJ-MNDMWVCDSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1CCC(F)CC1 ZINC000592377515 346980884 /nfs/dbraw/zinc/98/08/84/346980884.db2.gz UDONARSHLNBBDC-UHFFFAOYSA-N 1 0 266.316 3.213 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592399024 346984022 /nfs/dbraw/zinc/98/40/22/346984022.db2.gz LRHCBBFXNNCDRF-NZVBXONLSA-N 1 0 292.404 3.456 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000592399639 346984547 /nfs/dbraw/zinc/98/45/47/346984547.db2.gz PJDFHAYZUQJHQI-FFSVYQOJSA-N 1 0 290.363 3.129 20 5 CGBDRO CC(C)C[N@H+](C)CCCNc1ccc([N+](=O)[O-])s1 ZINC000593479612 347083672 /nfs/dbraw/zinc/08/36/72/347083672.db2.gz HFNVVZHHOXNYOC-UHFFFAOYSA-N 1 0 271.386 3.046 20 5 CGBDRO CC(C)C[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000045769924 345029908 /nfs/dbraw/zinc/02/99/08/345029908.db2.gz KPDRPWHNDGIGKR-LBPRGKRZSA-N 1 0 250.342 3.461 20 5 CGBDRO Cc1cc(NCCC[NH2+]C2CCCCC2)ncc1[N+](=O)[O-] ZINC000074739635 345480025 /nfs/dbraw/zinc/48/00/25/345480025.db2.gz NRKIYMYEZFUWKE-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO COc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000089512637 345770173 /nfs/dbraw/zinc/77/01/73/345770173.db2.gz GIIIOIUPUDSVQT-OAHLLOKOSA-N 1 0 298.342 3.381 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000090846619 345795603 /nfs/dbraw/zinc/79/56/03/345795603.db2.gz QCSKNKNBBHHFGH-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CCC[C@H]([NH2+]CC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000122051309 346004216 /nfs/dbraw/zinc/00/42/16/346004216.db2.gz PJPXHAXCCYORSQ-AWEZNQCLSA-N 1 0 280.368 3.044 20 5 CGBDRO CN(C)c1cccc(C[N@H+](C)Cc2cccc([N+](=O)[O-])c2)c1 ZINC000173207996 346233246 /nfs/dbraw/zinc/23/32/46/346233246.db2.gz SLAVNJMDQWZYME-UHFFFAOYSA-N 1 0 299.374 3.293 20 5 CGBDRO COc1ccc(OCC[NH2+][C@H](C)C(C)(C)C)c([N+](=O)[O-])c1 ZINC000173392787 346234626 /nfs/dbraw/zinc/23/46/26/346234626.db2.gz NXZMMGHZBKNSCS-LLVKDONJSA-N 1 0 296.367 3.006 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000222341100 346299294 /nfs/dbraw/zinc/29/92/94/346299294.db2.gz UONPUSPKHMLQTM-NJZAAPMLSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000311691022 346474857 /nfs/dbraw/zinc/47/48/57/346474857.db2.gz KIPILLBMISCXBL-MWLCHTKSSA-N 1 0 270.279 3.433 20 5 CGBDRO CC[NH+](CC)CCCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000336839832 213745910 /nfs/dbraw/zinc/74/59/10/213745910.db2.gz PFYAHUUUAQAYOJ-UHFFFAOYSA-N 1 0 283.347 3.186 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000403644713 346597693 /nfs/dbraw/zinc/59/76/93/346597693.db2.gz IEGLWVHFIHUNFX-KWCYVHTRSA-N 1 0 290.363 3.129 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584724327 346710205 /nfs/dbraw/zinc/71/02/05/346710205.db2.gz BFFWCTYDGNFEAF-NJZAAPMLSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)COCC1CC1 ZINC000593717504 347107750 /nfs/dbraw/zinc/10/77/50/347107750.db2.gz JGKLHZOGVGWOQS-CHWSQXEVSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)COCC1CC1 ZINC000593717506 347107817 /nfs/dbraw/zinc/10/78/17/347107817.db2.gz JGKLHZOGVGWOQS-QWHCGFSZSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(C2CCC2)C1 ZINC000589184443 346788028 /nfs/dbraw/zinc/78/80/28/346788028.db2.gz MRPITBABSLSFDT-YWEYNIOJSA-N 1 0 272.348 3.340 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000594041572 347143293 /nfs/dbraw/zinc/14/32/93/347143293.db2.gz FUYBBQQUQBVPSO-ZFWWWQNUSA-N 1 0 296.342 3.171 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119210948 370655992 /nfs/dbraw/zinc/65/59/92/370655992.db2.gz QXSXWRKFCLNWLF-LLVKDONJSA-N 1 0 287.319 3.234 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC(F)(F)C1 ZINC000594498701 347179529 /nfs/dbraw/zinc/17/95/29/347179529.db2.gz TVUYZQVJAZPGGD-CABZTGNLSA-N 1 0 282.290 3.360 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000594503138 347180632 /nfs/dbraw/zinc/18/06/32/347180632.db2.gz TYYGWEYUAGLZRZ-YPMHNXCESA-N 1 0 280.393 3.011 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cs1 ZINC000594508928 347182221 /nfs/dbraw/zinc/18/22/21/347182221.db2.gz DSUPTZIDDSXXTL-JSGCOSHPSA-N 1 0 296.392 3.094 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594511901 347183307 /nfs/dbraw/zinc/18/33/07/347183307.db2.gz AGALZKLNLDBUKI-GFCCVEGCSA-N 1 0 298.358 3.275 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCSC1 ZINC000594522556 347189015 /nfs/dbraw/zinc/18/90/15/347189015.db2.gz LXPDERQUXOOLAI-FZMZJTMJSA-N 1 0 292.404 3.315 20 5 CGBDRO CC[C@@H](C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594965570 347244845 /nfs/dbraw/zinc/24/48/45/347244845.db2.gz AGEHEUYGKUKQLW-SNVBAGLBSA-N 1 0 254.305 3.260 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC(C)(C)F ZINC000594972516 347246252 /nfs/dbraw/zinc/24/62/52/347246252.db2.gz HZOSLXWQCRWTHH-UHFFFAOYSA-N 1 0 254.305 3.131 20 5 CGBDRO COc1ccc(C[NH2+]CCCC2CCC2)cc1[N+](=O)[O-] ZINC000594976371 347246924 /nfs/dbraw/zinc/24/69/24/347246924.db2.gz BGSTUUAHMQUKRD-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO CC[C@@](C)([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000594979879 347247784 /nfs/dbraw/zinc/24/77/84/347247784.db2.gz MQYDESVSGAQSBG-CQSZACIVSA-N 1 0 266.316 3.402 20 5 CGBDRO CCCCC[N@H+](Cc1onc(C)c1[N+](=O)[O-])C(C)C ZINC000595295953 347288128 /nfs/dbraw/zinc/28/81/28/347288128.db2.gz IMVHWGJBLKLAQV-UHFFFAOYSA-N 1 0 269.345 3.292 20 5 CGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329929 347293170 /nfs/dbraw/zinc/29/31/70/347293170.db2.gz YQAPYPFZTHIPPG-JQWIXIFHSA-N 1 0 281.356 3.292 20 5 CGBDRO C[C@H](CSCCF)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000595025371 347260988 /nfs/dbraw/zinc/26/09/88/347260988.db2.gz GWABSAIHLMFQBP-MNOVXSKESA-N 1 0 286.372 3.337 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000595046250 347268484 /nfs/dbraw/zinc/26/84/84/347268484.db2.gz YYGYQLOAHLHCJV-WISYIIOYSA-N 1 0 276.336 3.053 20 5 CGBDRO CC[C@H](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000595071202 347276653 /nfs/dbraw/zinc/27/66/53/347276653.db2.gz BFVYWSJSLGBSFS-BFHYXJOUSA-N 1 0 294.399 3.301 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595079245 347278892 /nfs/dbraw/zinc/27/88/92/347278892.db2.gz IYTYNKPZSGPMAW-XUJVJEKNSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](CCF)C2)c1 ZINC000595757063 347351490 /nfs/dbraw/zinc/35/14/90/347351490.db2.gz YMURRBARZVPZFM-GFCCVEGCSA-N 1 0 266.316 3.166 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2nc(C[N@@H+]3CC[C@@H]4C[C@@H]4C3)co2)cc1 ZINC000595813215 347357944 /nfs/dbraw/zinc/35/79/44/347357944.db2.gz ZAJKIDWFYZFSHU-CHWSQXEVSA-N 1 0 299.330 3.092 20 5 CGBDRO Cc1cc(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c([N+](=O)[O-])s1 ZINC000596306514 347413806 /nfs/dbraw/zinc/41/38/06/347413806.db2.gz FFVGSSLFHWAQAQ-LLVKDONJSA-N 1 0 297.424 3.497 20 5 CGBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CC1(C)C ZINC000595913711 347372738 /nfs/dbraw/zinc/37/27/38/347372738.db2.gz UKLYDOCGSUYOOS-SNVBAGLBSA-N 1 0 254.355 3.134 20 5 CGBDRO Cc1cc(N2CCC[C@H]([NH+]3CCCC3)C2)c([N+](=O)[O-])s1 ZINC000596082425 347381253 /nfs/dbraw/zinc/38/12/53/347381253.db2.gz KIYXQJIKYUOGIA-LBPRGKRZSA-N 1 0 295.408 3.029 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc(C(F)F)cc1[N+](=O)[O-])C1CC1 ZINC000596114181 347384642 /nfs/dbraw/zinc/38/46/42/347384642.db2.gz JQPZLDZDPXZADE-CYBMUJFWSA-N 1 0 299.321 3.285 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CC1(F)F ZINC000598648624 347674836 /nfs/dbraw/zinc/67/48/36/347674836.db2.gz QKDKUQQAVDXUAQ-NSHDSACASA-N 1 0 270.279 3.038 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CC(CC2CC2)C1 ZINC000598678506 347678174 /nfs/dbraw/zinc/67/81/74/347678174.db2.gz QXVQADHHXROEPY-HYXAFXHYSA-N 1 0 272.348 3.340 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCOC2)c(Cl)c1 ZINC000598984998 347703711 /nfs/dbraw/zinc/70/37/11/347703711.db2.gz FKUFQWWAKHHWNS-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000599018548 347706930 /nfs/dbraw/zinc/70/69/30/347706930.db2.gz YGBDLJAEHAKHFP-ZDUSSCGKSA-N 1 0 290.363 3.273 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CO)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599069493 347713954 /nfs/dbraw/zinc/71/39/54/347713954.db2.gz UBXNRNRVVCAQLO-GDBMZVCRSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]1CC(F)(F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000599622614 347758727 /nfs/dbraw/zinc/75/87/27/347758727.db2.gz LHAXSGBZKQNHPL-JTQLQIEISA-N 1 0 270.279 3.214 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599624983 347758798 /nfs/dbraw/zinc/75/87/98/347758798.db2.gz KPYKBPNKCLGETO-PUXPGTEJSA-N 1 0 298.770 3.150 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000600213077 347793747 /nfs/dbraw/zinc/79/37/47/347793747.db2.gz AVPPFPBZEIRWNS-AWEZNQCLSA-N 1 0 298.342 3.290 20 5 CGBDRO [NH3+]Cc1cccc2c1N(Cc1ccccc1[N+](=O)[O-])CCC2 ZINC000600725884 347830136 /nfs/dbraw/zinc/83/01/36/347830136.db2.gz YZYLSBXZPCATQK-UHFFFAOYSA-N 1 0 297.358 3.006 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1-c1cccc([C@H]2CC[NH2+]C2)c1 ZINC000600790550 347836863 /nfs/dbraw/zinc/83/68/63/347836863.db2.gz SIOHXMPSBTVPST-ZDUSSCGKSA-N 1 0 286.306 3.478 20 5 CGBDRO COc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000601266716 347886749 /nfs/dbraw/zinc/88/67/49/347886749.db2.gz FCIIHSJLWKSTIX-MRXNPFEDSA-N 1 0 298.342 3.381 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000601289147 347889509 /nfs/dbraw/zinc/88/95/09/347889509.db2.gz IWZWZFPGAYXXTO-OLZOCXBDSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000601299019 347889955 /nfs/dbraw/zinc/88/99/55/347889955.db2.gz MDECURIDDIJRQP-GUIRCDHDSA-N 1 0 292.379 3.071 20 5 CGBDRO CC[C@@H](C)[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602502564 347971645 /nfs/dbraw/zinc/97/16/45/347971645.db2.gz HBNYFFAVXOKHJF-ZCFIWIBFSA-N 1 0 293.186 3.307 20 5 CGBDRO CC[C@](C)(C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC000602610134 347992882 /nfs/dbraw/zinc/99/28/82/347992882.db2.gz GEQIDCIGALXXIQ-OAHLLOKOSA-N 1 0 280.368 3.235 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602620476 347996043 /nfs/dbraw/zinc/99/60/43/347996043.db2.gz XPKLGLPKBUDVSA-JTQLQIEISA-N 1 0 289.335 3.404 20 5 CGBDRO C/C=C\C[NH2+]Cc1cc(Br)c([N+](=O)[O-])s1 ZINC000602724889 348017768 /nfs/dbraw/zinc/01/77/68/348017768.db2.gz MZODCZIKTGDNKB-IHWYPQMZSA-N 1 0 291.170 3.085 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000603859694 348099804 /nfs/dbraw/zinc/09/98/04/348099804.db2.gz SRZVZQJTSXBUFQ-KBPBESRZSA-N 1 0 291.395 3.375 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@@H](C)C(C)C)cccc1[N+](=O)[O-] ZINC000603843532 348098242 /nfs/dbraw/zinc/09/82/42/348098242.db2.gz KJYQARMLDRDRTQ-LBPRGKRZSA-N 1 0 250.342 3.380 20 5 CGBDRO C[C@@H]([NH2+]Cc1[nH]nc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000608982575 348334813 /nfs/dbraw/zinc/33/48/13/348334813.db2.gz SFDVKIZQGPMGMM-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000610215245 348366986 /nfs/dbraw/zinc/36/69/86/348366986.db2.gz HAVBRJYTWGAPPV-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@@H](C(C)C)C1 ZINC000273357877 192124456 /nfs/dbraw/zinc/12/44/56/192124456.db2.gz CNOWCMVPDJJDPZ-GOEBONIOSA-N 1 0 292.379 3.196 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCc3ccccc32)cc1 ZINC000610763640 348402776 /nfs/dbraw/zinc/40/27/76/348402776.db2.gz HPUVWWVZQTVEHQ-MRXNPFEDSA-N 1 0 296.370 3.457 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000610787801 348403190 /nfs/dbraw/zinc/40/31/90/348403190.db2.gz RSODYTYQKBITSK-OGOUPESXSA-N 1 0 282.290 3.385 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611335503 348439150 /nfs/dbraw/zinc/43/91/50/348439150.db2.gz REUAQKUQWMTUPK-GFCCVEGCSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000611411751 348448109 /nfs/dbraw/zinc/44/81/09/348448109.db2.gz YQYDBYUESVIMLL-QWRGUYRKSA-N 1 0 283.397 3.331 20 5 CGBDRO CC[NH+](CC)CCCCNc1sccc1[N+](=O)[O-] ZINC000611412548 348448760 /nfs/dbraw/zinc/44/87/60/348448760.db2.gz VSBNVLCIBAIACX-UHFFFAOYSA-N 1 0 271.386 3.190 20 5 CGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358023810 233040268 /nfs/dbraw/zinc/04/02/68/233040268.db2.gz XVGVSHTWJJIOHT-LALPHHSUSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1cncc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000358313784 233105418 /nfs/dbraw/zinc/10/54/18/233105418.db2.gz VIOUTMDHMJGBQA-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1sccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000617976638 349031852 /nfs/dbraw/zinc/03/18/52/349031852.db2.gz FVIWBAUOZBCISI-LLVKDONJSA-N 1 0 281.381 3.085 20 5 CGBDRO CC1(C)C[C@H]([NH2+]C2CCC2)c2cc([N+](=O)[O-])ccc21 ZINC000618987640 349191844 /nfs/dbraw/zinc/19/18/44/349191844.db2.gz RHLAWFLMXVJMEU-AWEZNQCLSA-N 1 0 260.337 3.459 20 5 CGBDRO CC(C)C1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000619431134 349249557 /nfs/dbraw/zinc/24/95/57/349249557.db2.gz KVIUKCUTIRTFBI-ALCCZGGFSA-N 1 0 260.337 3.196 20 5 CGBDRO CC1(C)SC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000619823341 349285877 /nfs/dbraw/zinc/28/58/77/349285877.db2.gz UXIGTPCEFUNWBF-KBPBESRZSA-N 1 0 292.404 3.456 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000040675969 137887404 /nfs/dbraw/zinc/88/74/04/137887404.db2.gz UDKNVTMPLCYRGK-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1C ZINC000122884968 187057937 /nfs/dbraw/zinc/05/79/37/187057937.db2.gz UUYWMEVFGKVORU-ZJUUUORDSA-N 1 0 254.355 3.134 20 5 CGBDRO Cc1ccnc(NCC[NH2+]C2CCCCCC2)c1[N+](=O)[O-] ZINC000133556599 187693292 /nfs/dbraw/zinc/69/32/92/187693292.db2.gz GQXKEUKXEWMHJN-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO O=[N+]([O-])c1ccn(C2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000365821817 234131027 /nfs/dbraw/zinc/13/10/27/234131027.db2.gz RJTDXRYXYUQODF-UHFFFAOYSA-N 1 0 292.383 3.009 20 5 CGBDRO Cc1ccc(C[NH2+]CC(C)(C)c2ccccn2)cc1[N+](=O)[O-] ZINC000295160663 199379448 /nfs/dbraw/zinc/37/94/48/199379448.db2.gz SFHJLWMZHSWJIP-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000414349467 235394309 /nfs/dbraw/zinc/39/43/09/235394309.db2.gz YAGOFLITDCIRBO-LERXQTSPSA-N 1 0 272.304 3.395 20 5 CGBDRO CCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C[C@@H]1CCCCO1 ZINC000106866654 138356124 /nfs/dbraw/zinc/35/61/24/138356124.db2.gz QEAABZCAYONXPU-INIZCTEOSA-N 1 0 292.379 3.376 20 5 CGBDRO C[C@H]([NH2+]CCOC1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000108942788 138361105 /nfs/dbraw/zinc/36/11/05/138361105.db2.gz VXJGHBHSZCEYJD-LBPRGKRZSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2cncc(F)c2)cccc1[N+](=O)[O-] ZINC000228579074 138503729 /nfs/dbraw/zinc/50/37/29/138503729.db2.gz CYFMGLNQUDBIOD-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO COC1(CC[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000294397161 199024713 /nfs/dbraw/zinc/02/47/13/199024713.db2.gz CHTIGQVZGUBCIY-LBPRGKRZSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000424323738 236149360 /nfs/dbraw/zinc/14/93/60/236149360.db2.gz JHNWVIIXTBFIDX-WKPIXPDZSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000296468176 199903228 /nfs/dbraw/zinc/90/32/28/199903228.db2.gz NPVVRSVSPAWTCS-SMDDNHRTSA-N 1 0 280.368 3.185 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297414714 200181635 /nfs/dbraw/zinc/18/16/35/200181635.db2.gz UGDVQSGHWUHFBL-CZUORRHYSA-N 1 0 294.395 3.434 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341968288 216171787 /nfs/dbraw/zinc/17/17/87/216171787.db2.gz ARZPQRFBFCIZCK-CJNGLKHVSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178435254 189116318 /nfs/dbraw/zinc/11/63/18/189116318.db2.gz FTHORJGJLLAGNX-RISCZKNCSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000299171118 200631107 /nfs/dbraw/zinc/63/11/07/200631107.db2.gz XKJGERMSESSLJV-UHFFFAOYSA-N 1 0 295.358 3.409 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c1 ZINC000181832291 189307671 /nfs/dbraw/zinc/30/76/71/189307671.db2.gz KCMKLAIXPLNDPT-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO COc1cc(C[NH2+][C@H](C)C2CCCC2)c([N+](=O)[O-])cc1F ZINC000184407909 189385079 /nfs/dbraw/zinc/38/50/79/189385079.db2.gz LFGUQQAFZPRGRC-SNVBAGLBSA-N 1 0 296.342 3.411 20 5 CGBDRO COc1cc(C[N@H+](C)CC2CCCC2)c([N+](=O)[O-])cc1F ZINC000184257896 189381357 /nfs/dbraw/zinc/38/13/57/189381357.db2.gz VRJBJDPYILRKNS-UHFFFAOYSA-N 1 0 296.342 3.365 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000301823218 201219026 /nfs/dbraw/zinc/21/90/26/201219026.db2.gz MZUSCXVGRAUYPN-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CC(C)[C@@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301988079 201288358 /nfs/dbraw/zinc/28/83/58/201288358.db2.gz LIYHGASDHTXDQV-GFCCVEGCSA-N 1 0 283.397 3.189 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000302008081 201296451 /nfs/dbraw/zinc/29/64/51/201296451.db2.gz WTQQQLXESXVDKA-AWEZNQCLSA-N 1 0 291.395 3.375 20 5 CGBDRO C[C@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000302006306 201294358 /nfs/dbraw/zinc/29/43/58/201294358.db2.gz VRQHVUWGIIWJGK-WDEREUQCSA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000449277107 239285386 /nfs/dbraw/zinc/28/53/86/239285386.db2.gz DOIVZJZSALAAAC-NSHDSACASA-N 1 0 274.320 3.217 20 5 CGBDRO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449350356 239339208 /nfs/dbraw/zinc/33/92/08/239339208.db2.gz VGOJHTWOHDTROO-GXTWGEPZSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449351226 239340148 /nfs/dbraw/zinc/34/01/48/239340148.db2.gz ZXRLALVXFXFHBS-RWMBFGLXSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccccc1CCNc1cc[nH+]c2ccccc12 ZINC000463072976 242384897 /nfs/dbraw/zinc/38/48/97/242384897.db2.gz XSPIHXKHUIJBBT-UHFFFAOYSA-N 1 0 293.326 3.220 20 5 CGBDRO C[NH2+]C(C)(C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000478152621 243069831 /nfs/dbraw/zinc/06/98/31/243069831.db2.gz ZYNGOILLZSBPGR-UHFFFAOYSA-N 1 0 292.166 3.312 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC=C(C)C ZINC000480311993 243145285 /nfs/dbraw/zinc/14/52/85/243145285.db2.gz XUXRIIXSENKMCE-UHFFFAOYSA-N 1 0 278.352 3.439 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC(C)=C(C)C1 ZINC000482450136 243225071 /nfs/dbraw/zinc/22/50/71/243225071.db2.gz IFDQCGUGQZYFBD-UHFFFAOYSA-N 1 0 260.337 3.445 20 5 CGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000015030072 368690018 /nfs/dbraw/zinc/69/00/18/368690018.db2.gz YTQPRVYHQILJJO-INIZCTEOSA-N 1 0 285.347 3.270 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000488451488 243570749 /nfs/dbraw/zinc/57/07/49/243570749.db2.gz VEIQHMZASBFBBK-OCCSQVGLSA-N 1 0 262.353 3.163 20 5 CGBDRO COCC(C)(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000491471615 243793589 /nfs/dbraw/zinc/79/35/89/243793589.db2.gz NBRGTTFTLOYVII-JYRVWZFOSA-N 1 0 292.379 3.260 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000035661444 369003941 /nfs/dbraw/zinc/00/39/41/369003941.db2.gz QJJSAYUSZCIMNZ-HNNXBMFYSA-N 1 0 274.320 3.471 20 5 CGBDRO CCCC[NH+]1CCC(NCc2csc([N+](=O)[O-])c2)CC1 ZINC000037563116 369089265 /nfs/dbraw/zinc/08/92/65/369089265.db2.gz JWKVABGHTINKHF-UHFFFAOYSA-N 1 0 297.424 3.010 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492759734 244019112 /nfs/dbraw/zinc/01/91/12/244019112.db2.gz XJJHICMWXPCVOG-CHWSQXEVSA-N 1 0 292.379 3.471 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000037999256 369137644 /nfs/dbraw/zinc/13/76/44/369137644.db2.gz PUYLSGNXEKFRTB-ZDUSSCGKSA-N 1 0 277.368 3.129 20 5 CGBDRO COc1cccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000042976154 369239193 /nfs/dbraw/zinc/23/91/93/369239193.db2.gz AWWHBLMHFDPSPF-UHFFFAOYSA-N 1 0 286.331 3.235 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049094168 369388391 /nfs/dbraw/zinc/38/83/91/369388391.db2.gz BUDHWZHLFOHCEZ-WDEREUQCSA-N 1 0 266.341 3.128 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NCCC[NH+]1CCCC1 ZINC000058340810 369565119 /nfs/dbraw/zinc/56/51/19/369565119.db2.gz YKTPJRFSYSHEHC-UHFFFAOYSA-N 1 0 283.759 3.146 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])c1ccco1 ZINC000067949222 369737001 /nfs/dbraw/zinc/73/70/01/369737001.db2.gz WDECRNBTXJOABR-ZDUSSCGKSA-N 1 0 293.298 3.042 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000076150406 369933190 /nfs/dbraw/zinc/93/31/90/369933190.db2.gz OZGUUTQJKOXKDP-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cscn2)cc1[N+](=O)[O-] ZINC000111626530 370401401 /nfs/dbraw/zinc/40/14/01/370401401.db2.gz RFNFKGBWVXDXDJ-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000512186721 245022758 /nfs/dbraw/zinc/02/27/58/245022758.db2.gz WRRYMTMSPUCDJU-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C(C)(C)C ZINC000343990424 217006557 /nfs/dbraw/zinc/00/65/57/217006557.db2.gz SXJHPKCBWXQFFH-HNNXBMFYSA-N 1 0 294.395 3.212 20 5 CGBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000117394680 370590251 /nfs/dbraw/zinc/59/02/51/370590251.db2.gz OPTHVWIRZIUYBK-STQMWFEESA-N 1 0 280.393 3.359 20 5 CGBDRO CC(C)[N@H+](Cc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000130283547 371023020 /nfs/dbraw/zinc/02/30/20/371023020.db2.gz OYFJHPRHVMQKCX-UHFFFAOYSA-N 1 0 285.347 3.400 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000344020677 217013473 /nfs/dbraw/zinc/01/34/73/217013473.db2.gz XPQFNFAQTONFCW-CQSZACIVSA-N 1 0 260.337 3.217 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000134593337 371352718 /nfs/dbraw/zinc/35/27/18/371352718.db2.gz FDEIULNNOIFUAW-CQSZACIVSA-N 1 0 280.393 3.312 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCCC2(O)CCC2)cccc1[N+](=O)[O-] ZINC000421849751 371672861 /nfs/dbraw/zinc/67/28/61/371672861.db2.gz CFUAYCLJNRMKNJ-CYBMUJFWSA-N 1 0 292.379 3.249 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COC(C)C)cc1[N+](=O)[O-] ZINC000337348906 214023583 /nfs/dbraw/zinc/02/35/83/214023583.db2.gz ZPJXDRJWVALLCX-QWHCGFSZSA-N 1 0 280.368 3.367 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000337320959 214004529 /nfs/dbraw/zinc/00/45/29/214004529.db2.gz PPJZFOIFTDMYKX-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCOC(C)(C)C1 ZINC000289904662 371849925 /nfs/dbraw/zinc/84/99/25/371849925.db2.gz SQSZOUARITVUJD-HNNXBMFYSA-N 1 0 292.379 3.374 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000344099087 217049178 /nfs/dbraw/zinc/04/91/78/217049178.db2.gz NAFIBGNOCJHZKH-ZDUSSCGKSA-N 1 0 290.363 3.225 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000290126663 371911377 /nfs/dbraw/zinc/91/13/77/371911377.db2.gz JSFUKXKSAZRAHS-UTUOFQBUSA-N 1 0 296.367 3.068 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290543226 372013019 /nfs/dbraw/zinc/01/30/19/372013019.db2.gz ZYVVUUYNDHAKPA-JSGCOSHPSA-N 1 0 298.342 3.422 20 5 CGBDRO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000291101920 372116138 /nfs/dbraw/zinc/11/61/38/372116138.db2.gz DTZKGMQXVOYDNG-JKSUJKDBSA-N 1 0 292.379 3.451 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CC23CC3)c2cc([N+](=O)[O-])ccc21 ZINC000424333970 372083077 /nfs/dbraw/zinc/08/30/77/372083077.db2.gz YETREKFAAWZLJQ-UONOGXRCSA-N 1 0 272.348 3.459 20 5 CGBDRO CCN(CCc1nccs1)Cc1csc([N+](=O)[O-])c1 ZINC000159265978 372125554 /nfs/dbraw/zinc/12/55/54/372125554.db2.gz PVGBYOWZHHLHGE-UHFFFAOYSA-N 1 0 297.405 3.177 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000159274029 372125647 /nfs/dbraw/zinc/12/56/47/372125647.db2.gz QNNQGMWKXCYHDY-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428465373 372214947 /nfs/dbraw/zinc/21/49/47/372214947.db2.gz XCAPROAXORTLKK-MJQCEFOHSA-N 1 0 272.348 3.482 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000344275449 217129202 /nfs/dbraw/zinc/12/92/02/217129202.db2.gz SNWVEONCQBUYPE-HNNXBMFYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163855648 372495056 /nfs/dbraw/zinc/49/50/56/372495056.db2.gz FNOMUFVIAWCYMX-HUBLWGQQSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294017558 372556674 /nfs/dbraw/zinc/55/66/74/372556674.db2.gz DPSYABYTPHJDSG-TVQRCGJNSA-N 1 0 263.341 3.016 20 5 CGBDRO CC1(C[N@@H+]2CCc3ccc([N+](=O)[O-])cc3C2)CCC1 ZINC000432826411 372574491 /nfs/dbraw/zinc/57/44/91/372574491.db2.gz XVXFSOPWSFDUAX-UHFFFAOYSA-N 1 0 260.337 3.143 20 5 CGBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000171615025 372795701 /nfs/dbraw/zinc/79/57/01/372795701.db2.gz VZGBHSQAEBAZJW-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000438329524 372925942 /nfs/dbraw/zinc/92/59/42/372925942.db2.gz WFQWPMAWEJHKKJ-CQSZACIVSA-N 1 0 292.379 3.471 20 5 CGBDRO CC(C)n1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000295987340 372986177 /nfs/dbraw/zinc/98/61/77/372986177.db2.gz JZBZBJILNRZYPY-LBPRGKRZSA-N 1 0 288.351 3.223 20 5 CGBDRO Cc1c([C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000353569605 220164919 /nfs/dbraw/zinc/16/49/19/220164919.db2.gz RNQLAHLHCLHFSD-GXTWGEPZSA-N 1 0 293.411 3.283 20 5 CGBDRO CCCC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC1 ZINC000444585531 373203733 /nfs/dbraw/zinc/20/37/33/373203733.db2.gz ZSVJWUXATLEWHX-UHFFFAOYSA-N 1 0 288.351 3.236 20 5 CGBDRO CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)c1ccccc1 ZINC000353615993 220194153 /nfs/dbraw/zinc/19/41/53/220194153.db2.gz YAKDIRQIQFAAMY-UHFFFAOYSA-N 1 0 299.374 3.163 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCCC[C@@H]1C ZINC000301161730 373678710 /nfs/dbraw/zinc/67/87/10/373678710.db2.gz HMCNTXQXJLQELZ-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310927455 374228916 /nfs/dbraw/zinc/22/89/16/374228916.db2.gz IFJMLSXVCDATOF-SNVBAGLBSA-N 1 0 254.305 3.354 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919680 374229908 /nfs/dbraw/zinc/22/99/08/374229908.db2.gz GYZCOMYKDBSCPO-JTQLQIEISA-N 1 0 254.305 3.212 20 5 CGBDRO CC(C)[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311393401 374241468 /nfs/dbraw/zinc/24/14/68/374241468.db2.gz DDOBFKQHPVTYBR-CQSZACIVSA-N 1 0 266.316 3.354 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000313499024 374302158 /nfs/dbraw/zinc/30/21/58/374302158.db2.gz IUDILZQUEGMUAJ-WFASDCNBSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([C@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029917 374324909 /nfs/dbraw/zinc/32/49/09/374324909.db2.gz WHBNENAXUNNFHZ-KBPBESRZSA-N 1 0 293.411 3.283 20 5 CGBDRO Cc1ccc([C@@H](C)N[C@@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029919 374325144 /nfs/dbraw/zinc/32/51/44/374325144.db2.gz WHBNENAXUNNFHZ-UONOGXRCSA-N 1 0 293.411 3.283 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCn2cccc2[C@H]1C ZINC000183229495 374388577 /nfs/dbraw/zinc/38/85/77/374388577.db2.gz MZDPZIRIVLOJAU-CYBMUJFWSA-N 1 0 285.347 3.282 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000183651930 374438505 /nfs/dbraw/zinc/43/85/05/374438505.db2.gz NCJZUDLYHJASGQ-AWEZNQCLSA-N 1 0 292.379 3.339 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000330910006 374490156 /nfs/dbraw/zinc/49/01/56/374490156.db2.gz FKIHKDFSYWDKED-LLVKDONJSA-N 1 0 282.315 3.117 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000331153520 374508408 /nfs/dbraw/zinc/50/84/08/374508408.db2.gz IKQCICXUPUFINT-APHBMKBZSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331418000 374530961 /nfs/dbraw/zinc/53/09/61/374530961.db2.gz DKHUMSJWEHGHTP-YGRLFVJLSA-N 1 0 288.351 3.092 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602193 374695648 /nfs/dbraw/zinc/69/56/48/374695648.db2.gz ZEKQYTWZHUEFLO-ONGXEEELSA-N 1 0 254.355 3.277 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464813157 374903753 /nfs/dbraw/zinc/90/37/53/374903753.db2.gz HMJNKRSLMYTGGE-CHWSQXEVSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000187992733 375135394 /nfs/dbraw/zinc/13/53/94/375135394.db2.gz IHQQTYSDYHTRSQ-WQVCFCJDSA-N 1 0 292.379 3.187 20 5 CGBDRO CCOC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000188867648 375284924 /nfs/dbraw/zinc/28/49/24/375284924.db2.gz SVDAGKCVXUPMDH-AWEZNQCLSA-N 1 0 280.368 3.054 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC[C@@H](C)O1 ZINC000190428591 375509752 /nfs/dbraw/zinc/50/97/52/375509752.db2.gz YYTLDUSHHVAZLI-CJNGLKHVSA-N 1 0 292.379 3.373 20 5 CGBDRO CCC1(C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000507208477 375686843 /nfs/dbraw/zinc/68/68/43/375686843.db2.gz QMTTYAXKCBBVEA-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336812204 375964973 /nfs/dbraw/zinc/96/49/73/375964973.db2.gz QMPRFXAYVANWHM-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO CSCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000193842984 375929452 /nfs/dbraw/zinc/92/94/52/375929452.db2.gz MLTDLECYMXEMIC-UHFFFAOYSA-N 1 0 268.382 3.168 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336792965 375941150 /nfs/dbraw/zinc/94/11/50/375941150.db2.gz UXQYJRSNFWNZFL-ONGXEEELSA-N 1 0 252.289 3.012 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000336850508 376011398 /nfs/dbraw/zinc/01/13/98/376011398.db2.gz XVFWIUCVZHGJMS-JKSUJKDBSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1cccc([N+](=O)[O-])c1 ZINC000537257546 376156942 /nfs/dbraw/zinc/15/69/42/376156942.db2.gz UHNKMVXYPQKAGP-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCSCC1 ZINC000537975933 376213403 /nfs/dbraw/zinc/21/34/03/376213403.db2.gz HDPPFRVNULBYOY-NSHDSACASA-N 1 0 280.393 3.449 20 5 CGBDRO CC[C@@H]([NH2+]CCC[C@@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222594027 376238339 /nfs/dbraw/zinc/23/83/39/376238339.db2.gz XXJZUYFTMSLVPB-IUODEOHRSA-N 1 0 280.368 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2C2CC2)cc1 ZINC000540302964 376368935 /nfs/dbraw/zinc/36/89/35/376368935.db2.gz VMVHIGSUZMQCGI-HZPDHXFCSA-N 1 0 274.364 3.306 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000226761052 376371808 /nfs/dbraw/zinc/37/18/08/376371808.db2.gz ICFQDWPUAWTNEK-GLQYFDAESA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@H]1CC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000338477817 376387462 /nfs/dbraw/zinc/38/74/62/376387462.db2.gz OJMWWPNCLYILCG-STQMWFEESA-N 1 0 292.379 3.278 20 5 CGBDRO CC1CCC(C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)CC1 ZINC000541620575 376468168 /nfs/dbraw/zinc/46/81/68/376468168.db2.gz LIKUXAGOMKVSMF-UHFFFAOYSA-N 1 0 289.379 3.174 20 5 CGBDRO CCC(C)(C)C[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000230649147 376525655 /nfs/dbraw/zinc/52/56/55/376525655.db2.gz DCZYOIDLDMAKMZ-UHFFFAOYSA-N 1 0 266.341 3.129 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000230694161 376535728 /nfs/dbraw/zinc/53/57/28/376535728.db2.gz VOMDYCSIKBCGGV-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000231750836 376570930 /nfs/dbraw/zinc/57/09/30/376570930.db2.gz RUWDCQYIZQAIHB-SECBINFHSA-N 1 0 276.258 3.334 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000543181187 376616697 /nfs/dbraw/zinc/61/66/97/376616697.db2.gz DAASPQHRBJXBLD-GFCCVEGCSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC(C)(C)C1 ZINC000543181188 376616838 /nfs/dbraw/zinc/61/68/38/376616838.db2.gz DAASPQHRBJXBLD-LBPRGKRZSA-N 1 0 262.353 3.463 20 5 CGBDRO [NH3+]C1(CNc2c(Cl)cc([N+](=O)[O-])cc2Cl)CCC1 ZINC000236180748 376661922 /nfs/dbraw/zinc/66/19/22/376661922.db2.gz NDBFYAIEYKITMK-UHFFFAOYSA-N 1 0 290.150 3.195 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339680896 376806600 /nfs/dbraw/zinc/80/66/00/376806600.db2.gz YSCJTVRJSHPPRK-ZDUSSCGKSA-N 1 0 290.363 3.225 20 5 CGBDRO CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000558251451 376988965 /nfs/dbraw/zinc/98/89/65/376988965.db2.gz VUQMPVRIGFMSRS-LSDHHAIUSA-N 1 0 292.379 3.388 20 5 CGBDRO CC(C)C1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000559328184 377080031 /nfs/dbraw/zinc/08/00/31/377080031.db2.gz PREZSIZBYJVWEQ-ALCCZGGFSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000247049074 377147094 /nfs/dbraw/zinc/14/70/94/377147094.db2.gz NCTNCCLYUXICCA-SLEUVZQESA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247147420 377166881 /nfs/dbraw/zinc/16/68/81/377166881.db2.gz RHNDIOGXIOQIRI-APHBMKBZSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000250139118 377554272 /nfs/dbraw/zinc/55/42/72/377554272.db2.gz YQBQBAPOMSYCET-KCQAQPDRSA-N 1 0 292.379 3.105 20 5 CGBDRO COC1CCC([N@H+](C)Cc2csc([N+](=O)[O-])c2)CC1 ZINC000265238219 190168603 /nfs/dbraw/zinc/16/86/03/190168603.db2.gz SHNKLHGIMBFEQT-UHFFFAOYSA-N 1 0 284.381 3.046 20 5 CGBDRO CC[C@H](C)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000478261630 249169101 /nfs/dbraw/zinc/16/91/01/249169101.db2.gz YDBHCVUWSUKIOJ-JTQLQIEISA-N 1 0 270.760 3.426 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000516846964 249246464 /nfs/dbraw/zinc/24/64/64/249246464.db2.gz DSOKTHUREXGISR-GOEBONIOSA-N 1 0 292.379 3.113 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000518999648 249291098 /nfs/dbraw/zinc/29/10/98/249291098.db2.gz IQUQXIIQOFCRIM-MGPQQGTHSA-N 1 0 284.315 3.321 20 5 CGBDRO CC[C@H]([NH2+]CC[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000268804562 378115207 /nfs/dbraw/zinc/11/52/07/378115207.db2.gz BLJUIGDLFUZKIE-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000268982548 378165046 /nfs/dbraw/zinc/16/50/46/378165046.db2.gz PFMBDZDLISPDAQ-BBRMVZONSA-N 1 0 294.395 3.177 20 5 CGBDRO CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000579527783 378169016 /nfs/dbraw/zinc/16/90/16/378169016.db2.gz MPMLCHDTWDWCSD-OKILXGFUSA-N 1 0 292.379 3.327 20 5 CGBDRO CC(C)[N@H+](Cc1ccn(C)c1)Cc1ccc([N+](=O)[O-])cc1 ZINC000271066867 378445649 /nfs/dbraw/zinc/44/56/49/378445649.db2.gz JQPUDACJEBUUOM-UHFFFAOYSA-N 1 0 287.363 3.344 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1CC(C2CCC2)C1 ZINC000348709414 379027501 /nfs/dbraw/zinc/02/75/01/379027501.db2.gz BCEGIKBWCIUXQT-UHFFFAOYSA-N 1 0 260.337 3.135 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000370743642 379064501 /nfs/dbraw/zinc/06/45/01/379064501.db2.gz ZNWLOZISNBHQLZ-UHFFFAOYSA-N 1 0 297.358 3.201 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C2CC(F)(F)C2)cccc1[N+](=O)[O-] ZINC000277175033 379088459 /nfs/dbraw/zinc/08/84/59/379088459.db2.gz SKCXNNKYSSSBKX-VIFPVBQESA-N 1 0 270.279 3.352 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277215793 379100756 /nfs/dbraw/zinc/10/07/56/379100756.db2.gz NOGOBPLFBXQMSD-ZIAGYGMSSA-N 1 0 291.395 3.072 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC(C)(C)OC)cc1[N+](=O)[O-] ZINC000349250612 379206242 /nfs/dbraw/zinc/20/62/42/379206242.db2.gz YMCCGGZHXAMIFI-LLVKDONJSA-N 1 0 296.367 3.069 20 5 CGBDRO CCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000266754000 190279027 /nfs/dbraw/zinc/27/90/27/190279027.db2.gz DLCILICAFMUIGX-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO CCCC[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1C ZINC000349980452 379470141 /nfs/dbraw/zinc/47/01/41/379470141.db2.gz ZHOCOFLJEMBMOD-UHFFFAOYSA-N 1 0 280.368 3.152 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC=C(c3cccnc3)C2)c1 ZINC000347731544 218336820 /nfs/dbraw/zinc/33/68/20/218336820.db2.gz UHALTZAKGNTGMS-UHFFFAOYSA-N 1 0 295.342 3.279 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352541264 379848458 /nfs/dbraw/zinc/84/84/58/379848458.db2.gz VTLIPFQDELSBQF-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@@H]1CCCCO1 ZINC000352570549 379863431 /nfs/dbraw/zinc/86/34/31/379863431.db2.gz IWDBEVOVAHSXGQ-HNNXBMFYSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)C1 ZINC000352611624 379876482 /nfs/dbraw/zinc/87/64/82/379876482.db2.gz IWUOISCEDIBIMS-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000352611066 379877207 /nfs/dbraw/zinc/87/72/07/379877207.db2.gz BZGYDVWCRHDAOJ-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000389029051 379893426 /nfs/dbraw/zinc/89/34/26/379893426.db2.gz XAQLGILSVPJHBI-QWRGUYRKSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402106118 379962797 /nfs/dbraw/zinc/96/27/97/379962797.db2.gz WUSKPTLOTGKJOX-QWHCGFSZSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785241 379958870 /nfs/dbraw/zinc/95/88/70/379958870.db2.gz VPXQLLVCRZKLLO-DGCLKSJQSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc(C[NH2+]CC(C)(C)c2cccnc2)cc1[N+](=O)[O-] ZINC000414556237 380318077 /nfs/dbraw/zinc/31/80/77/380318077.db2.gz JPTHAEMUKBPOAB-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO CC[NH2+]Cc1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000414863366 380463729 /nfs/dbraw/zinc/46/37/29/380463729.db2.gz IZEHBNXGBHTSME-UHFFFAOYSA-N 1 0 291.376 3.378 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000417332264 380595249 /nfs/dbraw/zinc/59/52/49/380595249.db2.gz CZRIUHSJAZDSTM-HUUCEWRRSA-N 1 0 286.375 3.306 20 5 CGBDRO C[C@H](C[C@H](C)O)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344292 380600102 /nfs/dbraw/zinc/60/01/02/380600102.db2.gz PYSBAIAOJWBMCP-WQGACYEGSA-N 1 0 292.379 3.111 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](CO)CC2CCCCC2)c1 ZINC000418120387 380703986 /nfs/dbraw/zinc/70/39/86/380703986.db2.gz BEJRVDZMCJEQGE-OAHLLOKOSA-N 1 0 292.379 3.016 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](CO)CCC(C)(C)C ZINC000355682354 380750676 /nfs/dbraw/zinc/75/06/76/380750676.db2.gz OLOZNXZHBABKMD-CQSZACIVSA-N 1 0 294.395 3.180 20 5 CGBDRO CC[C@H](C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C)OC ZINC000419212633 380779965 /nfs/dbraw/zinc/77/99/65/380779965.db2.gz VCANJWAZTSPBSP-OAHLLOKOSA-N 1 0 280.368 3.230 20 5 CGBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000356911128 380933737 /nfs/dbraw/zinc/93/37/37/380933737.db2.gz DPKGFTNDPBRRFD-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO COC[C@@H](CC(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000357699147 381256153 /nfs/dbraw/zinc/25/61/53/381256153.db2.gz QENXRBMZLLCHCL-CQSZACIVSA-N 1 0 280.368 3.054 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000357729999 381267099 /nfs/dbraw/zinc/26/70/99/381267099.db2.gz KLNRYGLINVNXKW-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC(CC)[C@H](CNc1nccc(C)c1[N+](=O)[O-])[NH+](C)C ZINC000360287303 381505629 /nfs/dbraw/zinc/50/56/29/381505629.db2.gz SXVAJWBKTAHDPY-ZDUSSCGKSA-N 1 0 294.399 3.077 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469888 381554208 /nfs/dbraw/zinc/55/42/08/381554208.db2.gz YAZYQEZHSARGRT-SMDDNHRTSA-N 1 0 278.352 3.224 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CC[C@@H](C)C1 ZINC000361643051 381854256 /nfs/dbraw/zinc/85/42/56/381854256.db2.gz LKIZXUPZADZUAE-YPMHNXCESA-N 1 0 298.408 3.293 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000280409378 194832930 /nfs/dbraw/zinc/83/29/30/194832930.db2.gz AXNRHTDUURANMV-NSHDSACASA-N 1 0 284.306 3.428 20 5 CGBDRO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000270768945 285087976 /nfs/dbraw/zinc/08/79/76/285087976.db2.gz LCJGRHOXHLUBMZ-CHWSQXEVSA-N 1 0 278.352 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOc3ccccc32)cc1 ZINC000034996426 285115695 /nfs/dbraw/zinc/11/56/95/285115695.db2.gz LBJCLUWUAJYXCU-HNNXBMFYSA-N 1 0 284.315 3.208 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000350463085 219024280 /nfs/dbraw/zinc/02/42/80/219024280.db2.gz SAIBLPNNTYFYCT-XQRVVYSFSA-N 1 0 283.331 3.135 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCSC1)CCC2 ZINC000278730851 285144634 /nfs/dbraw/zinc/14/46/34/285144634.db2.gz MTGOCKLZSYWITK-RISCZKNCSA-N 1 0 278.377 3.067 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449243010 533177521 /nfs/dbraw/zinc/17/75/21/533177521.db2.gz HGKFCWYNAJVIHG-ZDUSSCGKSA-N 1 0 294.395 3.178 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCSC1 ZINC000469133919 533409214 /nfs/dbraw/zinc/40/92/14/533409214.db2.gz XEGHCLWVRYCWIA-CEFACKQISA-N 1 0 292.404 3.483 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000037177025 391980543 /nfs/dbraw/zinc/98/05/43/391980543.db2.gz HTYNCIQTTRWKDW-RYUDHWBXSA-N 1 0 271.320 3.402 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000094324279 392240761 /nfs/dbraw/zinc/24/07/61/392240761.db2.gz WTSNTXNUOBHFOH-CYBMUJFWSA-N 1 0 293.323 3.171 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCOC1 ZINC000107064455 392315137 /nfs/dbraw/zinc/31/51/37/392315137.db2.gz GAMNKECIEAIJRW-LBPRGKRZSA-N 1 0 298.770 3.107 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361810981 392330790 /nfs/dbraw/zinc/33/07/90/392330790.db2.gz IHGOINNHDPLVFY-BJJXKVORSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC[N@H+]1CCC[C@H](C)C1 ZINC000301520674 392594088 /nfs/dbraw/zinc/59/40/88/392594088.db2.gz LEKYSFDCPADFGF-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO CO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000374665291 392688443 /nfs/dbraw/zinc/68/84/43/392688443.db2.gz UVMZVMHKGQXACQ-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000511520679 392837727 /nfs/dbraw/zinc/83/77/27/392837727.db2.gz FYXTYUFQQDTCRK-LHRNQBEKSA-N 1 0 260.337 3.482 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000510740421 392812492 /nfs/dbraw/zinc/81/24/92/392812492.db2.gz ZWRINFZWXYDSBZ-JKSUJKDBSA-N 1 0 274.364 3.306 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510740418 392812940 /nfs/dbraw/zinc/81/29/40/392812940.db2.gz ZWRINFZWXYDSBZ-CVEARBPZSA-N 1 0 274.364 3.306 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCC1CC1)CCC2 ZINC000193010379 392866489 /nfs/dbraw/zinc/86/64/89/392866489.db2.gz DMNYYKJNYVORDL-OAHLLOKOSA-N 1 0 260.337 3.362 20 5 CGBDRO CCC[C@@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOC1 ZINC000393446424 392934054 /nfs/dbraw/zinc/93/40/54/392934054.db2.gz STFONDNOUWWEBO-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@H]1CCC[C@@H](C[N@@H+]2CCc3ncc([N+](=O)[O-])cc3C2)C1 ZINC000347786619 393108727 /nfs/dbraw/zinc/10/87/27/393108727.db2.gz OPUZUTUSQOANNX-QWHCGFSZSA-N 1 0 289.379 3.174 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906098 393067449 /nfs/dbraw/zinc/06/74/49/393067449.db2.gz YAMZEGJSZURQEL-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1CN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C[NH2+]1 ZINC000262393298 393146958 /nfs/dbraw/zinc/14/69/58/393146958.db2.gz BKWWFQUIEDWMCT-CYBMUJFWSA-N 1 0 297.358 3.093 20 5 CGBDRO CCCCOCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468644308 393156854 /nfs/dbraw/zinc/15/68/54/393156854.db2.gz ZTGLRZLMYYLQKJ-KAMYIIQDSA-N 1 0 292.379 3.404 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000268961362 393210744 /nfs/dbraw/zinc/21/07/44/393210744.db2.gz LHSWFRXFKYAJFU-STQMWFEESA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCSC1 ZINC000279871305 393337958 /nfs/dbraw/zinc/33/79/58/393337958.db2.gz FNFDNKKCURDHJZ-QWHCGFSZSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@H]([NH3+])CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420152048 393431517 /nfs/dbraw/zinc/43/15/17/393431517.db2.gz CZODGRXRTLCVIV-LURJTMIESA-N 1 0 278.139 3.051 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC1CC1)C1CCC1 ZINC000430240632 393547607 /nfs/dbraw/zinc/54/76/07/393547607.db2.gz MODDBLIXGKDIJN-UHFFFAOYSA-N 1 0 290.363 3.368 20 5 CGBDRO CCC[C@@H]([NH2+]CCC1CC(O)C1)c1cccc([N+](=O)[O-])c1 ZINC000432408591 393609989 /nfs/dbraw/zinc/60/99/89/393609989.db2.gz CHCZMXJMSWRQKS-VDSRIPIWSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000501465046 393854028 /nfs/dbraw/zinc/85/40/28/393854028.db2.gz CCYJVCKJGZCAHH-AWEZNQCLSA-N 1 0 294.395 3.321 20 5 CGBDRO Cc1c(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787351 393861072 /nfs/dbraw/zinc/86/10/72/393861072.db2.gz WHAGEWUEVIRQFP-NEPJUHHUSA-N 1 0 262.353 3.381 20 5 CGBDRO CCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)COC1 ZINC000449605096 393918092 /nfs/dbraw/zinc/91/80/92/393918092.db2.gz MARAQPVZGXXBTE-NTUHNPAUSA-N 1 0 290.363 3.014 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000453175040 394195934 /nfs/dbraw/zinc/19/59/34/394195934.db2.gz KTKKQGCYNWCGSL-INIZCTEOSA-N 1 0 285.347 3.273 20 5 CGBDRO CCC[NH+](CCC)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000076652222 165117486 /nfs/dbraw/zinc/11/74/86/165117486.db2.gz HGFGAXCSQNYPPH-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO C[C@H](O)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000078512826 165133991 /nfs/dbraw/zinc/13/39/91/165133991.db2.gz JZSFNXZVFOTITJ-ZDUSSCGKSA-N 1 0 292.379 3.110 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC=CCC2)c(Cl)c1 ZINC000088748406 165194433 /nfs/dbraw/zinc/19/44/33/165194433.db2.gz YEGIVUNYNDDHTI-NSHDSACASA-N 1 0 266.728 3.447 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000090535557 165239922 /nfs/dbraw/zinc/23/99/22/165239922.db2.gz GWXIHWURXKPLEK-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO CC[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091929335 287110201 /nfs/dbraw/zinc/11/02/01/287110201.db2.gz OVQGZUGNWSZZPJ-IYNGYCSASA-N 1 0 260.337 3.340 20 5 CGBDRO C[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000090966584 287105823 /nfs/dbraw/zinc/10/58/23/287105823.db2.gz LOCJMSVEWSVXCX-UTUOFQBUSA-N 1 0 278.352 3.201 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@]1(C)CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000094797216 165392086 /nfs/dbraw/zinc/39/20/86/165392086.db2.gz KIUDTPPVZCOAFZ-HUUCEWRRSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccoc1 ZINC000094869136 287123392 /nfs/dbraw/zinc/12/33/92/287123392.db2.gz POADLNAVNPVWNE-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000420401063 287144878 /nfs/dbraw/zinc/14/48/78/287144878.db2.gz KLWBWBWNCIHYBE-SWLSCSKDSA-N 1 0 297.358 3.046 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000121982592 287205174 /nfs/dbraw/zinc/20/51/74/287205174.db2.gz KKCBAKPODFSQPQ-GXFFZTMASA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000035677533 172348715 /nfs/dbraw/zinc/34/87/15/172348715.db2.gz KRLICPBJAWEAEG-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000035692065 172360994 /nfs/dbraw/zinc/36/09/94/172360994.db2.gz DNBRDNNHBCXBNZ-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H](c1ccccn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285368117 196263426 /nfs/dbraw/zinc/26/34/26/196263426.db2.gz QSSFEHPQFBNYTR-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000038079459 174089594 /nfs/dbraw/zinc/08/95/94/174089594.db2.gz KZBJVFNJWPRHBE-NSHDSACASA-N 1 0 292.360 3.386 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130590666 287358967 /nfs/dbraw/zinc/35/89/67/287358967.db2.gz SJLRLKGTALVBFI-ZFWWWQNUSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CC2 ZINC000424334182 533681669 /nfs/dbraw/zinc/68/16/69/533681669.db2.gz YSKBZRKJSUEKNB-SMDDNHRTSA-N 1 0 260.337 3.058 20 5 CGBDRO CC1([NH2+]Cc2csc([N+](=O)[O-])c2)Cc2ccccc2C1 ZINC000125391055 260764179 /nfs/dbraw/zinc/76/41/79/260764179.db2.gz DELIUAZBFSOCKB-UHFFFAOYSA-N 1 0 288.372 3.303 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCC2(F)F)cc1[N+](=O)[O-] ZINC000390907922 262361137 /nfs/dbraw/zinc/36/11/37/262361137.db2.gz MDJMMLOJYBZOCL-LBPRGKRZSA-N 1 0 284.306 3.428 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC23CCCC3)cc1 ZINC000189112708 270070733 /nfs/dbraw/zinc/07/07/33/270070733.db2.gz CMFOWJHPTAJRKT-OAHLLOKOSA-N 1 0 274.364 3.450 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1cccc([N+](=O)[O-])c1 ZINC000224069411 270086680 /nfs/dbraw/zinc/08/66/80/270086680.db2.gz JIUXDMDVGQYETL-MAZHCROVSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](O)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000316091041 270092849 /nfs/dbraw/zinc/09/28/49/270092849.db2.gz BKCHSZRHYBDVBQ-CVEARBPZSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000322833371 270094199 /nfs/dbraw/zinc/09/41/99/270094199.db2.gz ZZYMDLDZQSFNCV-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000324639091 270094536 /nfs/dbraw/zinc/09/45/36/270094536.db2.gz CHPJMQCWJWMQLO-HNNXBMFYSA-N 1 0 260.337 3.263 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000532038447 270213077 /nfs/dbraw/zinc/21/30/77/270213077.db2.gz MTFUSGBHWMVYFQ-CYBMUJFWSA-N 1 0 278.352 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000265530608 275036177 /nfs/dbraw/zinc/03/61/77/275036177.db2.gz AWVYTLYJMDUDAM-AWEZNQCLSA-N 1 0 289.379 3.050 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]1C(F)F)CCC2 ZINC000348288430 275038414 /nfs/dbraw/zinc/03/84/14/275038414.db2.gz JTUKBVPKJIKSQX-YNEHKIRRSA-N 1 0 282.290 3.215 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000179398239 276052563 /nfs/dbraw/zinc/05/25/63/276052563.db2.gz YHLUMQZXMSFHGK-ZDUSSCGKSA-N 1 0 292.379 3.329 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1[N+](=O)[O-] ZINC000432348140 276053480 /nfs/dbraw/zinc/05/34/80/276053480.db2.gz QMSSHFDGZIYRSB-IUODEOHRSA-N 1 0 292.379 3.233 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000301542179 276225811 /nfs/dbraw/zinc/22/58/11/276225811.db2.gz CPEZNIUOHIJIAQ-KGLIPLIRSA-N 1 0 291.395 3.070 20 5 CGBDRO COC(C)(C)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000346427463 277176072 /nfs/dbraw/zinc/17/60/72/277176072.db2.gz GHOJOKVHXVQQJQ-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1COC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000396573374 288014012 /nfs/dbraw/zinc/01/40/12/288014012.db2.gz ZAAPTADYHGBZHG-TZMCWYRMSA-N 1 0 278.352 3.203 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1CC1(C)C ZINC000397631504 288025604 /nfs/dbraw/zinc/02/56/04/288025604.db2.gz USGFWKZWDQWWBB-MFKMUULPSA-N 1 0 278.352 3.128 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@H]1CC1(C)C ZINC000397631502 288025606 /nfs/dbraw/zinc/02/56/06/288025606.db2.gz USGFWKZWDQWWBB-GXFFZTMASA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000125474710 278267921 /nfs/dbraw/zinc/26/79/21/278267921.db2.gz ARENSMDEGCSWLT-RYUDHWBXSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896516 278309055 /nfs/dbraw/zinc/30/90/55/278309055.db2.gz GNQXACFBOOHHNI-CZUORRHYSA-N 1 0 290.363 3.158 20 5 CGBDRO CC1(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3F)CC2)CC1 ZINC000398229431 288040852 /nfs/dbraw/zinc/04/08/52/288040852.db2.gz XODYLIVOLURSPD-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@H]1CCCO1 ZINC000248824628 279539458 /nfs/dbraw/zinc/53/94/58/279539458.db2.gz FVHNGMMCLWRAGT-KNXALSJPSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000532192729 288354109 /nfs/dbraw/zinc/35/41/09/288354109.db2.gz GPLGFVUYPIVQAV-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]1C(C)C ZINC000552045085 289153845 /nfs/dbraw/zinc/15/38/45/289153845.db2.gz XTRMLJNXWUIODG-ZIAGYGMSSA-N 1 0 278.352 3.128 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000552067585 289158648 /nfs/dbraw/zinc/15/86/48/289158648.db2.gz PYPJYCNMGBFQAP-ZIAGYGMSSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556231402 289378917 /nfs/dbraw/zinc/37/89/17/289378917.db2.gz ADRXXNAUOCKYFN-NEPJUHHUSA-N 1 0 268.332 3.254 20 5 CGBDRO CC[C@@H](C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000562909837 289741973 /nfs/dbraw/zinc/74/19/73/289741973.db2.gz SAGJBEGKFMLMJW-WFASDCNBSA-N 1 0 292.379 3.332 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000388777074 328301426 /nfs/dbraw/zinc/30/14/26/328301426.db2.gz INLCDCCJJJPSMS-DOMZBBRYSA-N 1 0 278.352 3.142 20 5 CGBDRO CCC[NH+](CCC)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000158050731 321808893 /nfs/dbraw/zinc/80/88/93/321808893.db2.gz MJZZXFYEFILJOT-UHFFFAOYSA-N 1 0 296.367 3.234 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000167101127 321909315 /nfs/dbraw/zinc/90/93/15/321909315.db2.gz YTTRHPARPCJRHK-BBRMVZONSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000564233100 322024008 /nfs/dbraw/zinc/02/40/08/322024008.db2.gz WCKQUVPDNIZLMR-WCFLWFBJSA-N 1 0 266.316 3.444 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCCS1 ZINC000565844486 322094118 /nfs/dbraw/zinc/09/41/18/322094118.db2.gz VVLUQBPKKCEHMH-BXUZGUMPSA-N 1 0 292.404 3.457 20 5 CGBDRO CO[C@](C)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000567207240 322154366 /nfs/dbraw/zinc/15/43/66/322154366.db2.gz AJDCBFDMWANCHA-MLGOLLRUSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000568662868 322218084 /nfs/dbraw/zinc/21/80/84/322218084.db2.gz MFFBMUBQGOGYLY-MLGOLLRUSA-N 1 0 297.358 3.198 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000569155822 322237287 /nfs/dbraw/zinc/23/72/87/322237287.db2.gz LCYDLPIFVOPJIU-UHFFFAOYSA-N 1 0 250.342 3.115 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573097604 322369598 /nfs/dbraw/zinc/36/95/98/322369598.db2.gz NOBNJNBQUHFGEE-HEHGZKQESA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1cc(N[C@@H]2CC[C@H](F)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000574430646 322439879 /nfs/dbraw/zinc/43/98/79/322439879.db2.gz OAKUIMSSADMPAI-WDEREUQCSA-N 1 0 289.310 3.176 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC[C@@H]1F ZINC000583034034 329305858 /nfs/dbraw/zinc/30/58/58/329305858.db2.gz JCKHJSZDGXWNOR-YNEHKIRRSA-N 1 0 264.300 3.062 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@](C)(O)CCC(C)C ZINC000183481507 335894903 /nfs/dbraw/zinc/89/49/03/335894903.db2.gz BIYDNKNPZMZBAB-INIZCTEOSA-N 1 0 294.395 3.180 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000380831669 336035147 /nfs/dbraw/zinc/03/51/47/336035147.db2.gz TWOOAHCXRMOBIO-NSHDSACASA-N 1 0 283.347 3.185 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670111 336058162 /nfs/dbraw/zinc/05/81/62/336058162.db2.gz YPSLIALVKOZYAK-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1(CF)CCC1 ZINC000581549472 336100764 /nfs/dbraw/zinc/10/07/64/336100764.db2.gz UHFAUGPEIAVFGF-GFCCVEGCSA-N 1 0 280.343 3.398 20 5 CGBDRO CC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000385012555 336135801 /nfs/dbraw/zinc/13/58/01/336135801.db2.gz NNLBKNJLPFMLOH-ARJAWSKDSA-N 1 0 254.717 3.304 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CC)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000386720762 336177401 /nfs/dbraw/zinc/17/74/01/336177401.db2.gz RZEMFYMCZVABTL-CQDKDKBSSA-N 1 0 280.368 3.185 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccnc1 ZINC000449066486 534254004 /nfs/dbraw/zinc/25/40/04/534254004.db2.gz CEYSESQKTDGMRA-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000087710890 520576630 /nfs/dbraw/zinc/57/66/30/520576630.db2.gz DXOAYXIKLGKLJA-GJZGRUSLSA-N 1 0 290.363 3.032 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ncc([N+](=O)[O-])cc1C ZINC000052812209 520637116 /nfs/dbraw/zinc/63/71/16/520637116.db2.gz HPKDWADWNLTCFH-ZDUSSCGKSA-N 1 0 294.399 3.221 20 5 CGBDRO Cc1ccc(C[NH2+]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000097988735 524575237 /nfs/dbraw/zinc/57/52/37/524575237.db2.gz WERPRGKRIGZPPR-UHFFFAOYSA-N 1 0 276.258 3.335 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H](C)C[NH+]1CCCC1 ZINC000157241933 524908620 /nfs/dbraw/zinc/90/86/20/524908620.db2.gz JAFPWTLNFGDPMP-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CC12CC2)C1CC1 ZINC000424330703 534887947 /nfs/dbraw/zinc/88/79/47/534887947.db2.gz UNZUHTZCEHSTCF-ZFWWWQNUSA-N 1 0 272.348 3.058 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2ccncc2)C2CC2)cc1 ZINC000130018821 527348651 /nfs/dbraw/zinc/34/86/51/527348651.db2.gz LPQFVXFHGSFRQB-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO CC(C)=CCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449277832 527408186 /nfs/dbraw/zinc/40/81/86/527408186.db2.gz GVMBTSZBRVJYHQ-CYBMUJFWSA-N 1 0 262.353 3.472 20 5 CGBDRO CC(C)CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449065722 527742678 /nfs/dbraw/zinc/74/26/78/527742678.db2.gz VVZVPUJSJUBZFN-GFCCVEGCSA-N 1 0 250.342 3.162 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000414150910 528086595 /nfs/dbraw/zinc/08/65/95/528086595.db2.gz VQKGJOXZXCXMSR-CORIIIEPSA-N 1 0 278.352 3.201 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C1CC1 ZINC000175058388 528612660 /nfs/dbraw/zinc/61/26/60/528612660.db2.gz UYLIMRYJKVYNJN-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CCCC[C@@H](C[NH3+])N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293779 528821610 /nfs/dbraw/zinc/82/16/10/528821610.db2.gz ASKGTGOWHBILOB-ZFWWWQNUSA-N 1 0 279.384 3.153 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000449400000 529212640 /nfs/dbraw/zinc/21/26/40/529212640.db2.gz GMIUCLWWRVYRGM-JXHQUJACSA-N 1 0 292.379 3.259 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2nccc3ccccc32)cc1 ZINC000731451378 572413435 /nfs/dbraw/zinc/41/34/35/572413435.db2.gz VVYBCXQJIFIAIC-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO C[C@@H]([N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000176832625 618742598 /nfs/dbraw/zinc/74/25/98/618742598.db2.gz MPFCJQFBBRHLNP-LLVKDONJSA-N 1 0 288.351 3.022 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000177091749 618793376 /nfs/dbraw/zinc/79/33/76/618793376.db2.gz XLPHARXFOKMPDW-AOOOYVTPSA-N 1 0 252.289 3.107 20 5 CGBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311125349 618893239 /nfs/dbraw/zinc/89/32/39/618893239.db2.gz ARJAWQWUAKRBBX-LDYMZIIASA-N 1 0 286.784 3.232 20 5 CGBDRO C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000067217561 619394993 /nfs/dbraw/zinc/39/49/93/619394993.db2.gz CLHAJQDCKNFWAD-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000178855015 619408397 /nfs/dbraw/zinc/40/83/97/619408397.db2.gz YFLYJSIUYYLGAP-INIZCTEOSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H](CF)C1 ZINC000895546888 619848353 /nfs/dbraw/zinc/84/83/53/619848353.db2.gz XEWHUNGVPMNRFY-LLPBQKLSSA-N 1 0 278.327 3.290 20 5 CGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000925156137 620206823 /nfs/dbraw/zinc/20/68/23/620206823.db2.gz ZABLISTXKWKPDU-GOEBONIOSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000897460241 620339900 /nfs/dbraw/zinc/33/99/00/620339900.db2.gz GCDNGJUFFFHVMU-DVOMOZLQSA-N 1 0 292.379 3.246 20 5 CGBDRO CC(C)[C@H](C)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463986 620340465 /nfs/dbraw/zinc/34/04/65/620340465.db2.gz DTYURDXPGOLWOA-NEPJUHHUSA-N 1 0 250.342 3.332 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CS[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897465020 620340522 /nfs/dbraw/zinc/34/05/22/620340522.db2.gz QKVNRYMRYSJUQU-TUAOUCFPSA-N 1 0 280.393 3.182 20 5 CGBDRO Cc1csc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000897469121 620341754 /nfs/dbraw/zinc/34/17/54/620341754.db2.gz DLDXCDZXHVPGFY-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO CC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CCCC1 ZINC000054521022 620386861 /nfs/dbraw/zinc/38/68/61/620386861.db2.gz TVYUNXUWLJJEFK-UHFFFAOYSA-N 1 0 288.351 3.167 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000927019132 620562625 /nfs/dbraw/zinc/56/26/25/620562625.db2.gz RBAHNOOOHNYCLE-GOEBONIOSA-N 1 0 292.379 3.113 20 5 CGBDRO CC(C)(C)[NH2+]Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396461 620874518 /nfs/dbraw/zinc/87/45/18/620874518.db2.gz SMUYSYAFYGNURB-UHFFFAOYSA-N 1 0 275.308 3.138 20 5 CGBDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000903080008 621560314 /nfs/dbraw/zinc/56/03/14/621560314.db2.gz HKPFHIHVYNONCB-LSDHHAIUSA-N 1 0 292.379 3.341 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903083842 621564465 /nfs/dbraw/zinc/56/44/65/621564465.db2.gz OSSTZFXAWAZIRW-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC(C)(C)SC)cc([N+](=O)[O-])c1 ZINC000903104090 621576674 /nfs/dbraw/zinc/57/66/74/621576674.db2.gz DTGDJKVWQKMQFV-JTQLQIEISA-N 1 0 298.408 3.396 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCC(C)(C)F)cc([N+](=O)[O-])c1 ZINC000903200044 621624197 /nfs/dbraw/zinc/62/41/97/621624197.db2.gz LAYARWZIQTVSIH-SNVBAGLBSA-N 1 0 284.331 3.392 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000903332072 621706678 /nfs/dbraw/zinc/70/66/78/621706678.db2.gz PPEWKMJXERYGAU-RYUDHWBXSA-N 1 0 280.368 3.367 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000230696695 623262292 /nfs/dbraw/zinc/26/22/92/623262292.db2.gz FZIYNIYYGCWQCK-QWHCGFSZSA-N 1 0 280.393 3.277 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000174261368 623379441 /nfs/dbraw/zinc/37/94/41/623379441.db2.gz XSAIUJYWEGUNJV-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO CC[N@H+](Cn1ncc2cc([N+](=O)[O-])ccc21)[C@H](C)C(C)C ZINC000064111945 623410896 /nfs/dbraw/zinc/41/08/96/623410896.db2.gz GAGPOSHMXLYMFS-GFCCVEGCSA-N 1 0 290.367 3.268 20 5 CGBDRO CC(C)[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CC1 ZINC000917102109 624240495 /nfs/dbraw/zinc/24/04/95/624240495.db2.gz XRJHHEOXCXIRER-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154329064 624253405 /nfs/dbraw/zinc/25/34/05/624253405.db2.gz KFKIUMCUZCDPJZ-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO CN(CC[N@H+](C)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000920337896 624480519 /nfs/dbraw/zinc/48/05/19/624480519.db2.gz WFTFTKXFSFSZNV-UHFFFAOYSA-N 1 0 291.395 3.296 20 5 CGBDRO CCC1CCC([N@H+](C)Cn2nc(C)c([N+](=O)[O-])c2C)CC1 ZINC000921047302 624564861 /nfs/dbraw/zinc/56/48/61/624564861.db2.gz YGLAZJKRRWPWNI-UHFFFAOYSA-N 1 0 294.399 3.266 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922542297 626011899 /nfs/dbraw/zinc/01/18/99/626011899.db2.gz TYJWCPJGCCGQKW-GFCCVEGCSA-N 1 0 297.358 3.329 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000922580163 626014907 /nfs/dbraw/zinc/01/49/07/626014907.db2.gz ABNOSMZFUFAJHX-CRALRDPISA-N 1 0 278.352 3.011 20 5 CGBDRO CC1(C)C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2)C(C)(C)O1 ZINC000922951129 626106902 /nfs/dbraw/zinc/10/69/02/626106902.db2.gz JPUZJEXXIPNGLZ-ZDUSSCGKSA-N 1 0 292.379 3.278 20 5 CGBDRO CC(C)(C)C1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000838986906 626292039 /nfs/dbraw/zinc/29/20/39/626292039.db2.gz PTLMCYPULULQOW-PIMMBPRGSA-N 1 0 292.379 3.043 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839197354 626331668 /nfs/dbraw/zinc/33/16/68/626331668.db2.gz YBQPLIMWTKLMFD-ICCXJUOJSA-N 1 0 264.300 3.012 20 5 CGBDRO CCC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000755244200 626609642 /nfs/dbraw/zinc/60/96/42/626609642.db2.gz DTYBWWGMBQNFRJ-HOCLYGCPSA-N 1 0 292.379 3.283 20 5 CGBDRO CC[N@H+](CCC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000760538162 626977406 /nfs/dbraw/zinc/97/74/06/626977406.db2.gz UYQZLFCXBVPJFA-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@H]2C)cc1[N+](=O)[O-] ZINC000766273169 627310346 /nfs/dbraw/zinc/31/03/46/627310346.db2.gz NYOXJXKSOBSQLQ-KGLIPLIRSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000776271448 628187732 /nfs/dbraw/zinc/18/77/32/628187732.db2.gz CLGVFGQOSYGPJP-MRXNPFEDSA-N 1 0 292.379 3.283 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCC=CO2)cccc1[N+](=O)[O-] ZINC000783309450 628702641 /nfs/dbraw/zinc/70/26/41/628702641.db2.gz JEOZCUFWUNJREV-CHWSQXEVSA-N 1 0 276.336 3.247 20 5 CGBDRO COC(C)(C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783576542 628728121 /nfs/dbraw/zinc/72/81/21/628728121.db2.gz QCOAHRAJTVWBFY-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000783592599 628729618 /nfs/dbraw/zinc/72/96/18/628729618.db2.gz IOFDIAQSALGJKA-MRVPVSSYSA-N 1 0 254.717 3.136 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)o1 ZINC000783597170 628730563 /nfs/dbraw/zinc/73/05/63/628730563.db2.gz RTDYULHKCPOYQQ-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO C[C@H]([NH2+]CC1(C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638687 629070418 /nfs/dbraw/zinc/07/04/18/629070418.db2.gz IKFQTYAWAZYHIW-NSHDSACASA-N 1 0 277.368 3.408 20 5 CGBDRO COCC[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])s1 ZINC000102419426 634751842 /nfs/dbraw/zinc/75/18/42/634751842.db2.gz WMYDVKMJWHAUHM-UHFFFAOYSA-N 1 0 292.360 3.059 20 5 CGBDRO C[C@H](CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000809736017 630795271 /nfs/dbraw/zinc/79/52/71/630795271.db2.gz CJJDAOJSEKYKOA-CQSZACIVSA-N 1 0 299.374 3.164 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552511 631793672 /nfs/dbraw/zinc/79/36/72/631793672.db2.gz DBASFBKIBXWBDJ-SUNKGSAMSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+]CCC1(F)CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815627212 631808621 /nfs/dbraw/zinc/80/86/21/631808621.db2.gz WPDRELBVOZYPEK-SNVBAGLBSA-N 1 0 281.331 3.110 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817414213 632143837 /nfs/dbraw/zinc/14/38/37/632143837.db2.gz CKBKNBKEIIVHMR-OLZOCXBDSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000865744728 632875564 /nfs/dbraw/zinc/87/55/64/632875564.db2.gz BCGGECHNCQLGQP-LLVKDONJSA-N 1 0 284.381 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC000865855940 632919485 /nfs/dbraw/zinc/91/94/85/632919485.db2.gz ABOVGTHWUAOPKK-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865883366 632940021 /nfs/dbraw/zinc/94/00/21/632940021.db2.gz CWGDGBIYIDHLCM-NSHDSACASA-N 1 0 299.321 3.063 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000866059523 632987791 /nfs/dbraw/zinc/98/77/91/632987791.db2.gz PXNQRATXJRRNAB-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000866486461 633156085 /nfs/dbraw/zinc/15/60/85/633156085.db2.gz IDQFINABIRWHJK-RAIGVLPGSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000866612455 633212144 /nfs/dbraw/zinc/21/21/44/633212144.db2.gz JCBPZLVTKFIUMB-NEPJUHHUSA-N 1 0 288.351 3.049 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000824462528 633247760 /nfs/dbraw/zinc/24/77/60/633247760.db2.gz DZKREUDZBHYVBK-LNSITVRQSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000824462524 633248277 /nfs/dbraw/zinc/24/82/77/633248277.db2.gz DZKREUDZBHYVBK-CORIIIEPSA-N 1 0 278.352 3.203 20 5 CGBDRO CC/C=C\C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824702378 633276109 /nfs/dbraw/zinc/27/61/09/633276109.db2.gz MDKFNRPJLXAIJA-ARJAWSKDSA-N 1 0 254.717 3.304 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000825284590 633342756 /nfs/dbraw/zinc/34/27/56/633342756.db2.gz RVAXMONMFJBCCE-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000123572436 633757263 /nfs/dbraw/zinc/75/72/63/633757263.db2.gz SUKJMGDKJYDBMY-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000871931488 633919349 /nfs/dbraw/zinc/91/93/49/633919349.db2.gz GFWCJHTUSLFVTD-QCQGSNGOSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872018819 633939910 /nfs/dbraw/zinc/93/99/10/633939910.db2.gz QDKQVEKJEHWGOU-RKDXNWHRSA-N 1 0 252.289 3.183 20 5 CGBDRO CO[C@@H](C)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031542 633950606 /nfs/dbraw/zinc/95/06/06/633950606.db2.gz QKBMUEOAKLGASP-QWRGUYRKSA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051075 633974533 /nfs/dbraw/zinc/97/45/33/633974533.db2.gz FSVLOIPEDFWHEL-GHMZBOCLSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872059975 633982369 /nfs/dbraw/zinc/98/23/69/633982369.db2.gz LEWPIOGANUPWMW-SDDRHHMPSA-N 1 0 296.342 3.200 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCOC1 ZINC000872066052 633988872 /nfs/dbraw/zinc/98/88/72/633988872.db2.gz JOUBBGHOGLNSSU-CABCVRRESA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070475 633991564 /nfs/dbraw/zinc/99/15/64/633991564.db2.gz CXIOSDGLYCSAHV-SRVKXCTJSA-N 1 0 296.342 3.057 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080642 634004453 /nfs/dbraw/zinc/00/44/53/634004453.db2.gz BFPQUTKVHUEIFE-TUAOUCFPSA-N 1 0 298.358 3.182 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000872128276 634050400 /nfs/dbraw/zinc/05/04/00/634050400.db2.gz HOLVKPCKUZLHAN-XQQFMLRXSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCCS1 ZINC000873075001 634241903 /nfs/dbraw/zinc/24/19/03/634241903.db2.gz PNNMKKYOFOLMCF-GFCCVEGCSA-N 1 0 280.393 3.197 20 5 CGBDRO Cc1cnccc1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873098979 634246082 /nfs/dbraw/zinc/24/60/82/634246082.db2.gz XKKZIYBSJSFRCE-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCCF ZINC000873126613 634250665 /nfs/dbraw/zinc/25/06/65/634250665.db2.gz ASWKEXYGZLKMRR-UHFFFAOYSA-N 1 0 254.305 3.051 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000873130737 634252608 /nfs/dbraw/zinc/25/26/08/634252608.db2.gz JFEZIWYKJOEINU-JQWIXIFHSA-N 1 0 280.393 3.195 20 5 CGBDRO C[C@@H]([NH2+]CC1=CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834834306 634252632 /nfs/dbraw/zinc/25/26/32/634252632.db2.gz AKGPHEIUSRRVJF-LLVKDONJSA-N 1 0 275.352 3.328 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000873134862 634255179 /nfs/dbraw/zinc/25/51/79/634255179.db2.gz VIYJQFUEKHBVBY-DGCLKSJQSA-N 1 0 280.393 3.195 20 5 CGBDRO Cc1ccc(CNc2ccc([C@@H]3C[C@H]3[NH3+])cc2)cc1[N+](=O)[O-] ZINC000873218101 634287593 /nfs/dbraw/zinc/28/75/93/634287593.db2.gz WVJBUDCZZXVISV-JKSUJKDBSA-N 1 0 297.358 3.330 20 5 CGBDRO CC[C@@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877054711 634964504 /nfs/dbraw/zinc/96/45/04/634964504.db2.gz KIRFOXBCOFQHML-KBHBFKLGSA-N 1 0 292.383 3.053 20 5 CGBDRO CC(C)CC(C)(C)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877082358 634977957 /nfs/dbraw/zinc/97/79/57/634977957.db2.gz QDHCXAVJJASHGY-UHFFFAOYSA-N 1 0 294.399 3.157 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000877565575 635094366 /nfs/dbraw/zinc/09/43/66/635094366.db2.gz KCZODJFQEQLVAK-BLLLJJGKSA-N 1 0 292.379 3.068 20 5 CGBDRO COc1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877719363 635164109 /nfs/dbraw/zinc/16/41/09/635164109.db2.gz YUTXYLHAXCRTDW-OKILXGFUSA-N 1 0 288.347 3.001 20 5 CGBDRO CC1(C)CCCC[C@@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126730277 635229390 /nfs/dbraw/zinc/22/93/90/635229390.db2.gz KAEVJGIRMAGKBL-CABCVRRESA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000878372905 635479249 /nfs/dbraw/zinc/47/92/49/635479249.db2.gz GNTHGAHIIZPVDK-QWHCGFSZSA-N 1 0 290.363 3.205 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cc1[N+](=O)[O-] ZINC000878629095 635578754 /nfs/dbraw/zinc/57/87/54/635578754.db2.gz AWFMBQKAHSYDGO-INIZCTEOSA-N 1 0 297.358 3.288 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879731692 635845192 /nfs/dbraw/zinc/84/51/92/635845192.db2.gz QNGDSYQISXIZGK-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844436014 635899604 /nfs/dbraw/zinc/89/96/04/635899604.db2.gz PDQDOECGOLOONU-CYBMUJFWSA-N 1 0 282.290 3.216 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@H]1CCCOC1 ZINC000846052491 636139042 /nfs/dbraw/zinc/13/90/42/636139042.db2.gz OSROGNJGCIGEED-LBPRGKRZSA-N 1 0 298.770 3.249 20 5 CGBDRO CSCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130459897 636456012 /nfs/dbraw/zinc/45/60/12/636456012.db2.gz PNUFITYMKPIQJD-UHFFFAOYSA-N 1 0 288.800 3.481 20 5 CGBDRO CSCC[C@H](C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527456 636590043 /nfs/dbraw/zinc/59/00/43/636590043.db2.gz BPGXJCPZRZCDSZ-GWCFXTLKSA-N 1 0 280.393 3.313 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000883362794 636704116 /nfs/dbraw/zinc/70/41/16/636704116.db2.gz NVPBUYVDKKRESZ-CQSZACIVSA-N 1 0 290.363 3.095 20 5 CGBDRO Cc1cccc(NC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)c1 ZINC000849092951 636744116 /nfs/dbraw/zinc/74/41/16/636744116.db2.gz MNEPJQLYCMSLDQ-UHFFFAOYSA-N 1 0 298.346 3.348 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850370327 637033494 /nfs/dbraw/zinc/03/34/94/637033494.db2.gz CZBZINSOTKNIRX-RDJZCZTQSA-N 1 0 298.342 3.171 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC1SCCS1 ZINC000850401775 637048828 /nfs/dbraw/zinc/04/88/28/637048828.db2.gz SPXXRRHDVREYBD-HWKANZROSA-N 1 0 296.417 3.004 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCSCC1 ZINC000134913353 637050213 /nfs/dbraw/zinc/05/02/13/637050213.db2.gz HPMWQNNOAKGJDA-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CCSC ZINC000850437268 637062981 /nfs/dbraw/zinc/06/29/81/637062981.db2.gz OHKWQDSAPVLDDR-MNOVXSKESA-N 1 0 298.408 3.396 20 5 CGBDRO CC(C)CC1([NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000850565576 637127174 /nfs/dbraw/zinc/12/71/74/637127174.db2.gz DJLMGCJOLNBMKF-LLVKDONJSA-N 1 0 277.368 3.406 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]1C1CCCC1 ZINC000885963042 637334109 /nfs/dbraw/zinc/33/41/09/637334109.db2.gz JLJLRPRYGMLOIV-CQSZACIVSA-N 1 0 275.352 3.144 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886114364 637422106 /nfs/dbraw/zinc/42/21/06/637422106.db2.gz NRNKCAYCWRARLN-NORZTCDRSA-N 1 0 290.363 3.203 20 5 CGBDRO CCCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130124 637428279 /nfs/dbraw/zinc/42/82/79/637428279.db2.gz WPHKTUOHGBKRIR-JSGCOSHPSA-N 1 0 277.368 3.438 20 5 CGBDRO Cc1noc(C[NH+]2CCC3(CCCC3)CC2)c1[N+](=O)[O-] ZINC000851777734 637499051 /nfs/dbraw/zinc/49/90/51/637499051.db2.gz AVDZDHWNHNRQOK-UHFFFAOYSA-N 1 0 279.340 3.047 20 5 CGBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852355752 637642392 /nfs/dbraw/zinc/64/23/92/637642392.db2.gz ZRLDIZNWIWAXOO-SMDDNHRTSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)(C)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC000930203312 638983116 /nfs/dbraw/zinc/98/31/16/638983116.db2.gz DSBHWOXMITWRAY-ZDUSSCGKSA-N 1 0 250.342 3.030 20 5 CGBDRO CC(C)Sc1ccc([C@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930214279 638983446 /nfs/dbraw/zinc/98/34/46/638983446.db2.gz MQXBFAFNITYECW-NSHDSACASA-N 1 0 268.382 3.114 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccns1 ZINC000858575872 638995991 /nfs/dbraw/zinc/99/59/91/638995991.db2.gz FPBLJWIYIBWQLD-DTWKUNHWSA-N 1 0 292.364 3.045 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000934676104 639655061 /nfs/dbraw/zinc/65/50/61/639655061.db2.gz JBQIUDQQPWSHHT-UHFFFAOYSA-N 1 0 268.382 3.134 20 5 CGBDRO CCC(CC)C[N@H+](CC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000077442028 640238394 /nfs/dbraw/zinc/23/83/94/640238394.db2.gz FAADYKSLVHASDP-UHFFFAOYSA-N 1 0 282.388 3.124 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774877 640802134 /nfs/dbraw/zinc/80/21/34/640802134.db2.gz KKSYBPPDCUDQOE-NSHDSACASA-N 1 0 266.316 3.498 20 5 CGBDRO [NH3+]CCc1ccccc1Nc1c(F)ccc([N+](=O)[O-])c1F ZINC001159997459 806211013 /nfs/dbraw/zinc/21/10/13/806211013.db2.gz JJANSLNHOQJGRV-UHFFFAOYSA-N 1 0 293.273 3.118 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CC(F)(F)C1 ZINC001254550843 806447773 /nfs/dbraw/zinc/44/77/73/806447773.db2.gz SBQFTVVTSWZCKN-SNVBAGLBSA-N 1 0 284.306 3.255 20 5 CGBDRO CCC[N@H+](CC)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550703 806447932 /nfs/dbraw/zinc/44/79/32/806447932.db2.gz PEBWOVWJMLWDSM-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccn1 ZINC001254550009 806447982 /nfs/dbraw/zinc/44/79/82/806447982.db2.gz BPDPMMWILFVJCQ-AWEZNQCLSA-N 1 0 299.374 3.095 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@](C)(CF)C1 ZINC001254552761 806449150 /nfs/dbraw/zinc/44/91/50/806449150.db2.gz PADAQFIEMKMYOP-SWLSCSKDSA-N 1 0 280.343 3.207 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254557841 806449183 /nfs/dbraw/zinc/44/91/83/806449183.db2.gz CKAPWDMMXORJHY-UKRRQHHQSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(c2cccnc2)C1 ZINC001254560060 806450868 /nfs/dbraw/zinc/45/08/68/806450868.db2.gz OWXSJCKFPFXZOQ-ZDUSSCGKSA-N 1 0 297.358 3.020 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccncc1 ZINC001254563523 806451906 /nfs/dbraw/zinc/45/19/06/806451906.db2.gz XVUDRJYHNSRTRA-CQSZACIVSA-N 1 0 299.374 3.095 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCC(F)(F)CC1)C2 ZINC001254567842 806453065 /nfs/dbraw/zinc/45/30/65/806453065.db2.gz PJHJAASLWIOXCU-CYBMUJFWSA-N 1 0 296.317 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1CCCCC1)C2 ZINC001254567282 806453234 /nfs/dbraw/zinc/45/32/34/806453234.db2.gz AAVDDBALUQIMJB-OAHLLOKOSA-N 1 0 274.364 3.232 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccoc1 ZINC001254581058 806455825 /nfs/dbraw/zinc/45/58/25/806455825.db2.gz JNZGJVDLZZWRCE-YGRLFVJLSA-N 1 0 272.304 3.006 20 5 CGBDRO Cc1cccc(C)c1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580035 806456231 /nfs/dbraw/zinc/45/62/31/806456231.db2.gz YXRIBRWJIZYHQR-MRXNPFEDSA-N 1 0 296.370 3.469 20 5 CGBDRO C[N@H+]([C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCCC1 ZINC001254596884 806456819 /nfs/dbraw/zinc/45/68/19/806456819.db2.gz GIMJVMJGROZKSL-MRXNPFEDSA-N 1 0 274.364 3.327 20 5 CGBDRO Cc1ccccc1C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565656 806450804 /nfs/dbraw/zinc/45/08/04/806450804.db2.gz FIWMIXRJIYRTOB-INIZCTEOSA-N 1 0 282.343 3.160 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3CCC[C@@H]3C1)C2 ZINC001254594613 806457548 /nfs/dbraw/zinc/45/75/48/806457548.db2.gz RVJTUSLGICBUAG-SUYBPPKGSA-N 1 0 286.375 3.184 20 5 CGBDRO C[C@]1(F)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599677 806458436 /nfs/dbraw/zinc/45/84/36/806458436.db2.gz OJYKRMHSYVNHEH-CVEARBPZSA-N 1 0 292.354 3.276 20 5 CGBDRO Cc1ncc([N+](=O)[O-])c(NCC[PH+](C(C)C)C(C)C)n1 ZINC001162359131 806564194 /nfs/dbraw/zinc/56/41/94/806564194.db2.gz XPWZEKVUJOWRFY-UHFFFAOYSA-N 1 0 298.327 3.404 20 5 CGBDRO COc1cc(NC(=[NH2+])C(C)(C)C)cc([N+](=O)[O-])c1C ZINC001162664937 806643963 /nfs/dbraw/zinc/64/39/63/806643963.db2.gz XLPCUMBSHLPOBL-UHFFFAOYSA-N 1 0 265.313 3.347 20 5 CGBDRO CC[NH+]1CCC(Nc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000036970440 798854114 /nfs/dbraw/zinc/85/41/14/798854114.db2.gz PONYNMJWCGOWLD-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO COc1ccccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037176843 798862925 /nfs/dbraw/zinc/86/29/25/798862925.db2.gz HLIYCPQTLSQGTC-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000403650638 799569574 /nfs/dbraw/zinc/56/95/74/799569574.db2.gz UMMYAQUCIWLODV-QXMXGUDHSA-N 1 0 278.377 3.111 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000403773156 799571329 /nfs/dbraw/zinc/57/13/29/799571329.db2.gz YKOPCFQXEASHNK-VGPLMAKISA-N 1 0 296.367 3.250 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])O1 ZINC000688903487 799758047 /nfs/dbraw/zinc/75/80/47/799758047.db2.gz WWSOXXJVCOGEEU-ZWNOBZJWSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)CC1([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000701424290 799887776 /nfs/dbraw/zinc/88/77/76/799887776.db2.gz LYTUGXXVHDFGPP-UHFFFAOYSA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000704813531 799941143 /nfs/dbraw/zinc/94/11/43/799941143.db2.gz IHAMZMWNXOLWTR-VXGBXAGGSA-N 1 0 280.393 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2ccns2)c1 ZINC000709870691 800021873 /nfs/dbraw/zinc/02/18/73/800021873.db2.gz NRXYMGKJKMJHJR-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO Cc1nc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)sc1C ZINC001120250074 802735549 /nfs/dbraw/zinc/73/55/49/802735549.db2.gz QNMMPIPFYQLTAG-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC001120366895 802742655 /nfs/dbraw/zinc/74/26/55/802742655.db2.gz XQFRDVONFADCCM-BHDSKKPTSA-N 1 0 264.325 3.053 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1cc[nH+]c(N2CCCC2)c1 ZINC001249546988 805173115 /nfs/dbraw/zinc/17/31/15/805173115.db2.gz TZPKJHWHRCGEDC-UHFFFAOYSA-N 1 0 299.334 3.037 20 5 CGBDRO Cc1cccc(N2C(C)(C)CC([NH3+])CC2(C)C)c1[N+](=O)[O-] ZINC001167624429 807217821 /nfs/dbraw/zinc/21/78/21/807217821.db2.gz HPJQJLFLGDMMCW-UHFFFAOYSA-N 1 0 291.395 3.388 20 5 CGBDRO CC(C)(C)c1ccc(NC2(C)CC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001168185924 807339073 /nfs/dbraw/zinc/33/90/73/807339073.db2.gz PEIDYPYEUZDDGH-UHFFFAOYSA-N 1 0 291.395 3.446 20 5 CGBDRO CCCCCC(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978035 807545010 /nfs/dbraw/zinc/54/50/10/807545010.db2.gz NWGZVFPZBVCYGY-QWHCGFSZSA-N 1 0 256.390 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ccc(Cl)cc32)C1 ZINC001168977047 807545188 /nfs/dbraw/zinc/54/51/88/807545188.db2.gz HFWNHOGTIYYCRB-WDBKCZKBSA-N 1 0 294.782 3.362 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001168987322 807546818 /nfs/dbraw/zinc/54/68/18/807546818.db2.gz IGQWNAIQXNBABJ-OLZOCXBDSA-N 1 0 290.354 3.237 20 5 CGBDRO Cc1cc(C)cc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168984618 807547388 /nfs/dbraw/zinc/54/73/88/807547388.db2.gz PCEAXCOEBFFLJE-FMKPAKJESA-N 1 0 276.380 3.399 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC001168988000 807548029 /nfs/dbraw/zinc/54/80/29/807548029.db2.gz MKSUMTJHKWRFQS-UKRRQHHQSA-N 1 0 274.364 3.101 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H](c2ccccc2F)C2CC2)C1 ZINC001168987730 807548179 /nfs/dbraw/zinc/54/81/79/807548179.db2.gz JVGHXEJKHDUETE-DETPVDSQSA-N 1 0 292.354 3.312 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2c2ccccc2)C1 ZINC001169001691 807548834 /nfs/dbraw/zinc/54/88/34/807548834.db2.gz HNLXMEMBNZMCTJ-BSWAZPDLSA-N 1 0 288.391 3.358 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC001169001231 807549302 /nfs/dbraw/zinc/54/93/02/807549302.db2.gz DTWLKLISDNAFIG-MQIPJXDCSA-N 1 0 292.354 3.238 20 5 CGBDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC1CCC1 ZINC001168996516 807549314 /nfs/dbraw/zinc/54/93/14/807549314.db2.gz VMCCSUZJRSMMIP-ZIAGYGMSSA-N 1 0 268.401 3.238 20 5 CGBDRO CCCCCC[C@@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169005417 807550126 /nfs/dbraw/zinc/55/01/26/807550126.db2.gz UDLMGARAMHJRTP-MGPQQGTHSA-N 1 0 256.390 3.380 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1F ZINC001169006544 807550747 /nfs/dbraw/zinc/55/07/47/807550747.db2.gz YRZXNOHJPBUASU-SGMGOOAPSA-N 1 0 280.343 3.230 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)C1 ZINC001169007645 807551669 /nfs/dbraw/zinc/55/16/69/807551669.db2.gz OWLCFCMBTQEKOW-FIQHERPVSA-N 1 0 294.317 3.143 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2c2ccccc2F)C1 ZINC001169035744 807555540 /nfs/dbraw/zinc/55/55/40/807555540.db2.gz LNXHEVSQAHPFLL-IOASZLSFSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001169037100 807556326 /nfs/dbraw/zinc/55/63/26/807556326.db2.gz IXTMVHHOAMPIBJ-NUEKZKHPSA-N 1 0 274.364 3.269 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3cccc(F)c3)C2)C1 ZINC001169038166 807557253 /nfs/dbraw/zinc/55/72/53/807557253.db2.gz WJJNSBCDKXFRMS-IVMMDQJWSA-N 1 0 292.354 3.060 20 5 CGBDRO COc1ccc(C[C@H](C)[N@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC001170353130 807828045 /nfs/dbraw/zinc/82/80/45/807828045.db2.gz WNAZHAMRYZFMNF-LBPRGKRZSA-N 1 0 292.379 3.266 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@@H](C)CCC1(C)C ZINC001171077326 807978945 /nfs/dbraw/zinc/97/89/45/807978945.db2.gz DDALPVCLZIXKBT-NSHDSACASA-N 1 0 278.352 3.366 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908456 808475736 /nfs/dbraw/zinc/47/57/36/808475736.db2.gz MRALCBYDMXSWOV-CQSZACIVSA-N 1 0 262.353 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccoc1)CC2 ZINC001172901149 808475990 /nfs/dbraw/zinc/47/59/90/808475990.db2.gz KBDPTEYSWYIDBZ-OAHLLOKOSA-N 1 0 286.331 3.225 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CCCCC1)CC2 ZINC001172909987 808476014 /nfs/dbraw/zinc/47/60/14/808476014.db2.gz WFXKKHUKEYRDPX-OAHLLOKOSA-N 1 0 274.364 3.328 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1cccnc1)CC2 ZINC001172899133 808476072 /nfs/dbraw/zinc/47/60/72/808476072.db2.gz UBJFRRJNRAPUNT-INIZCTEOSA-N 1 0 297.358 3.027 20 5 CGBDRO C[C@@H]1C[C@H](F)C[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172904774 808476411 /nfs/dbraw/zinc/47/64/11/808476411.db2.gz AMEJTSCBLCMJOX-BYCMXARLSA-N 1 0 292.354 3.275 20 5 CGBDRO CCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175915 808532949 /nfs/dbraw/zinc/53/29/49/808532949.db2.gz UYCOXTPLKGSBLV-JTQLQIEISA-N 1 0 284.331 3.063 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CC2(C)C)c1F ZINC001173192776 808533257 /nfs/dbraw/zinc/53/32/57/808533257.db2.gz RARXZNGLFIHCBV-TVQRCGJNSA-N 1 0 296.342 3.062 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@@H+]2CC[C@H](C)C2)c1F ZINC001173181806 808533982 /nfs/dbraw/zinc/53/39/82/808533982.db2.gz PWDNKCDSRFRBPH-WDEREUQCSA-N 1 0 296.342 3.015 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CC(C)C1 ZINC001173211162 808537259 /nfs/dbraw/zinc/53/72/59/808537259.db2.gz QEOXZQOWJIZDJA-MBHSVXNSSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC001173218646 808540465 /nfs/dbraw/zinc/54/04/65/808540465.db2.gz RHVBDOCPJUFBET-JSGCOSHPSA-N 1 0 292.379 3.073 20 5 CGBDRO CC(C)C[N@H+](C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226706 808541278 /nfs/dbraw/zinc/54/12/78/808541278.db2.gz NMMUNJJNKWXHKG-LBPRGKRZSA-N 1 0 250.342 3.114 20 5 CGBDRO CC[N@H+](Cc1ccncc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173226113 808541571 /nfs/dbraw/zinc/54/15/71/808541571.db2.gz LBSXVUPNBBXUCQ-CQSZACIVSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC001173229373 808543720 /nfs/dbraw/zinc/54/37/20/808543720.db2.gz TWPNBIOJSXPYSW-CYBMUJFWSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1occc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173235301 808544936 /nfs/dbraw/zinc/54/49/36/808544936.db2.gz SCNHQTRNUJEYFL-NSHDSACASA-N 1 0 274.320 3.217 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001173237737 808545745 /nfs/dbraw/zinc/54/57/45/808545745.db2.gz LSEIUIGXFBJRRD-XJKCOSOUSA-N 1 0 292.379 3.025 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3[nH+]ccn3c2)c1 ZINC001175736553 809523932 /nfs/dbraw/zinc/52/39/32/809523932.db2.gz ZFQKYJKHBUMUBI-UHFFFAOYSA-N 1 0 272.239 3.125 20 5 CGBDRO COc1ccc(Nc2c[nH+]c3cccc(C)n23)cc1[N+](=O)[O-] ZINC001176363484 809678214 /nfs/dbraw/zinc/67/82/14/809678214.db2.gz NSCHAWKLHBOLEH-UHFFFAOYSA-N 1 0 298.302 3.303 20 5 CGBDRO Cc1ccc(C[NH2+]CC2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC001177859120 809827081 /nfs/dbraw/zinc/82/70/81/809827081.db2.gz GONQCDYZYXHXKK-UHFFFAOYSA-N 1 0 296.370 3.408 20 5 CGBDRO CC[C@](C)(C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001179913626 809956488 /nfs/dbraw/zinc/95/64/88/809956488.db2.gz ATEVOEZBRKAHBC-MRXNPFEDSA-N 1 0 292.379 3.374 20 5 CGBDRO CC[C@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H](C)O1 ZINC001180280836 809988948 /nfs/dbraw/zinc/98/89/48/809988948.db2.gz NRYCZSFRMRSHRW-OCCSQVGLSA-N 1 0 292.379 3.211 20 5 CGBDRO CC[C@@H](C)[C@H](C)[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001191521627 810722469 /nfs/dbraw/zinc/72/24/69/810722469.db2.gz UCISKNKXWKWPDD-NEPJUHHUSA-N 1 0 262.353 3.388 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195195882 811224090 /nfs/dbraw/zinc/22/40/90/811224090.db2.gz JEUXFNQKMGGZCJ-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC001203575125 812397038 /nfs/dbraw/zinc/39/70/38/812397038.db2.gz XMEJVMJAPSWRNE-UHFFFAOYSA-N 1 0 298.346 3.329 20 5 CGBDRO C[N@@H+]1CCc2ccc(Nc3ccccc3[N+](=O)[O-])cc2C1 ZINC001206187612 813232540 /nfs/dbraw/zinc/23/25/40/813232540.db2.gz IIQNCHGYOWDNOH-UHFFFAOYSA-N 1 0 283.331 3.326 20 5 CGBDRO C[N@H+]1CC=C(Nc2cccc3nc4ccccc4nc32)CC1 ZINC001208909572 813894835 /nfs/dbraw/zinc/89/48/35/813894835.db2.gz CFQHDIJGXSNUIE-UHFFFAOYSA-N 1 0 290.370 3.414 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CCC[NH2+]C3)cc2)c1 ZINC001217962865 816019891 /nfs/dbraw/zinc/01/98/91/816019891.db2.gz IAIIJZDOWVFWKD-QGZVFWFLSA-N 1 0 298.342 3.393 20 5 CGBDRO F[C@H]1C[NH2+]C[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218019401 816057166 /nfs/dbraw/zinc/05/71/66/816057166.db2.gz IWCOZEJMVWMLCW-BBRMVZONSA-N 1 0 282.318 3.077 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc3nc4ccccc4nc3c2)CC[NH2+]1 ZINC001218056449 816078582 /nfs/dbraw/zinc/07/85/82/816078582.db2.gz ODUBSQDOUMAMGX-OCCSQVGLSA-N 1 0 293.370 3.302 20 5 CGBDRO C[C@H]1C[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC001218059521 816079749 /nfs/dbraw/zinc/07/97/49/816079749.db2.gz KAPLDWLOSUBVEX-AAEUAGOBSA-N 1 0 286.331 3.267 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218091817 816093023 /nfs/dbraw/zinc/09/30/23/816093023.db2.gz GRHWMVVDFDPDEE-HOCLYGCPSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218092242 816094187 /nfs/dbraw/zinc/09/41/87/816094187.db2.gz QMGUPFXQJTZVEX-ZIAGYGMSSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(OC2CCC3(C[NH2+]C3)CC2)cc([N+](=O)[O-])c1C ZINC001218262967 816145658 /nfs/dbraw/zinc/14/56/58/816145658.db2.gz OYSWZDDUOINEJQ-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[NH2+]C2(CCC2)C1 ZINC001218308903 816160635 /nfs/dbraw/zinc/16/06/35/816160635.db2.gz KDDSLUZYPQIELW-AWEZNQCLSA-N 1 0 290.363 3.265 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4C[NH2+]C[C@H]43)cc2c1 ZINC001218327735 816168169 /nfs/dbraw/zinc/16/81/69/816168169.db2.gz UAKNCRBSWGBHLA-HDMKZQKVSA-N 1 0 290.366 3.375 20 5 CGBDRO c1ccc2c(c1)nc(O[C@@H]1C[C@@H]3C[NH2+]C[C@@H]13)c1ccccc21 ZINC001218325275 816168318 /nfs/dbraw/zinc/16/83/18/816168318.db2.gz KXJLZMRKFOWFGL-XHBKTUGNSA-N 1 0 290.366 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(O[C@H]3C=CC[NH2+]C3)cc2)cc1 ZINC001218330896 816170320 /nfs/dbraw/zinc/17/03/20/816170320.db2.gz JZCDVLCWCXQYMI-KRWDZBQOSA-N 1 0 296.326 3.169 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1C[C@H]2C[NH2+]C[C@@H]21 ZINC001218333133 816171362 /nfs/dbraw/zinc/17/13/62/816171362.db2.gz XZSIBCKRWJPTBL-DOPJRALCSA-N 1 0 290.366 3.375 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218482110 816237130 /nfs/dbraw/zinc/23/71/30/816237130.db2.gz CDQQIZDBPCQYNO-PXAZEXFGSA-N 1 0 293.370 3.160 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218486805 816241899 /nfs/dbraw/zinc/24/18/99/816241899.db2.gz QVOMPRXDEHROKW-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc(OC(C)(C)C)cc1 ZINC001223880811 816696483 /nfs/dbraw/zinc/69/64/83/816696483.db2.gz LHUIKPYSCXDOJO-CQSZACIVSA-N 1 0 280.432 3.475 20 5 CGBDRO Cc1oc(-c2ccccc2)nc1CO[C@@H](C)C[N+](C)(C)C ZINC001223922604 816702333 /nfs/dbraw/zinc/70/23/33/816702333.db2.gz OBXHSALBBPWCAD-ZDUSSCGKSA-N 1 0 289.399 3.261 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc2c(c1)CCCC2 ZINC001223941004 816706716 /nfs/dbraw/zinc/70/67/16/816706716.db2.gz RIYZGOMXCKRGMW-AWEZNQCLSA-N 1 0 262.417 3.177 20 5 CGBDRO C[C@@H](OC1CC[NH+](C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224021616 816722082 /nfs/dbraw/zinc/72/20/82/816722082.db2.gz AUBCJXIBVUOFPZ-GFCCVEGCSA-N 1 0 290.363 3.299 20 5 CGBDRO C[N+](C)(C)CCO[C@@H](c1ccccc1)C(F)(F)F ZINC001224771794 816878646 /nfs/dbraw/zinc/87/86/46/816878646.db2.gz RXWDCHJIUJLVDV-LBPRGKRZSA-N 1 0 262.295 3.013 20 5 CGBDRO CC[C@@H](OCC[N+](C)(C)C)c1cccc(F)c1C ZINC001224775802 816879544 /nfs/dbraw/zinc/87/95/44/816879544.db2.gz PKXKPLRFWQRQDH-OAHLLOKOSA-N 1 0 254.369 3.308 20 5 CGBDRO Cc1nc2cc(O[C@@H](C)C[N+](C)(C)C)ccc2s1 ZINC001226473477 817368665 /nfs/dbraw/zinc/36/86/65/817368665.db2.gz YAHJJNJEGIJLRD-JTQLQIEISA-N 1 0 265.402 3.078 20 5 CGBDRO Cc1nc2cc(O[C@H](C)C[N+](C)(C)C)ccc2s1 ZINC001226473479 817369323 /nfs/dbraw/zinc/36/93/23/817369323.db2.gz YAHJJNJEGIJLRD-SNVBAGLBSA-N 1 0 265.402 3.078 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)nc2ccccc21 ZINC001226884516 817494128 /nfs/dbraw/zinc/49/41/28/817494128.db2.gz SEQHSOYGRWYYSA-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CC[NH+]1CCC(Oc2c(C)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001226988688 817527218 /nfs/dbraw/zinc/52/72/18/817527218.db2.gz IEVDQJTWLBFSRO-UHFFFAOYSA-N 1 0 298.770 3.420 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC001226995731 817529524 /nfs/dbraw/zinc/52/95/24/817529524.db2.gz NUYMIFNTKHTMMG-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO CC(=O)c1c(Cl)cccc1O[C@@H](C)C[N+](C)(C)C ZINC001227009454 817532801 /nfs/dbraw/zinc/53/28/01/817532801.db2.gz AFJGBBJYTOHLOH-JTQLQIEISA-N 1 0 270.780 3.016 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(F)c1Br ZINC001227013918 817534514 /nfs/dbraw/zinc/53/45/14/817534514.db2.gz NPEQSHRFLGDRFX-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO CSc1ccc(F)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001234243849 818814859 /nfs/dbraw/zinc/81/48/59/818814859.db2.gz WPAXOFHYZSEUCM-SNVBAGLBSA-N 1 0 258.382 3.021 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234870101 818940646 /nfs/dbraw/zinc/94/06/46/818940646.db2.gz FJSUHFQURNRNQS-AWEZNQCLSA-N 1 0 292.379 3.383 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC001458129011 937451992 /nfs/dbraw/zinc/45/19/92/937451992.db2.gz VBBBHCWXIFNTQS-QWRGUYRKSA-N 1 0 283.397 3.189 20 5 CGBDRO CC(C)C[N@H+](Cc1cccnc1[N+](=O)[O-])CC(C)(C)C ZINC001459768167 937499470 /nfs/dbraw/zinc/49/94/70/937499470.db2.gz JFKXOSVATJYHIT-UHFFFAOYSA-N 1 0 279.384 3.494 20 5 CGBDRO CC1(C)[C@H]2CC[C@]1(C)[C@H](OCCC[N+](C)(C)C)C2 ZINC001224621783 932037996 /nfs/dbraw/zinc/03/79/96/932037996.db2.gz CZKBOGGXLJVNJU-SQWLQELKSA-N 1 0 254.438 3.314 20 5 CGBDRO Cc1cc(C)c(Cl)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001229522988 932167084 /nfs/dbraw/zinc/16/70/84/932167084.db2.gz JBDFSXDXVBJFJF-LBPRGKRZSA-N 1 0 256.797 3.430 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229976598 932515473 /nfs/dbraw/zinc/51/54/73/932515473.db2.gz ZURBKZGUGFACMU-JTQLQIEISA-N 1 0 284.743 3.030 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230919021 932643044 /nfs/dbraw/zinc/64/30/44/932643044.db2.gz SMXMQSRHMTUWBT-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001231059062 932669036 /nfs/dbraw/zinc/66/90/36/932669036.db2.gz FZIVYXGJKWDEKT-CYBMUJFWSA-N 1 0 278.352 3.073 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1c(C)ccc(C)c1[N+](=O)[O-] ZINC001231062347 932670077 /nfs/dbraw/zinc/67/00/77/932670077.db2.gz ZPRBPOZFIGTPJO-ZDUSSCGKSA-N 1 0 280.368 3.321 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC(C)(C)CO2)cc1[N+](=O)[O-] ZINC001307616295 932977105 /nfs/dbraw/zinc/97/71/05/932977105.db2.gz JTJHRJOZYSMPQN-GXTWGEPZSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@](Cc1ccccc1)([NH2+]CC[N+](=O)[O-])c1ccccc1 ZINC001307844333 933008432 /nfs/dbraw/zinc/00/84/32/933008432.db2.gz KKKKDVKSGOWFPV-QGZVFWFLSA-N 1 0 284.359 3.011 20 5 CGBDRO Cc1c[nH+]c2ccccc2c1NCc1cccc([N+](=O)[O-])c1 ZINC001319655204 933909416 /nfs/dbraw/zinc/90/94/16/933909416.db2.gz OBTSAEXTYYSTJQ-UHFFFAOYSA-N 1 0 293.326 3.485 20 5 CGBDRO CC1(C)CCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC001472804069 937784642 /nfs/dbraw/zinc/78/46/42/937784642.db2.gz RBSJVHGTFMILJN-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)c([N+](=O)[O-])s1 ZINC001472833339 937786202 /nfs/dbraw/zinc/78/62/02/937786202.db2.gz XWVAYCWZAITFQD-RYUDHWBXSA-N 1 0 295.408 3.249 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C\C1CC1 ZINC001326288071 934966720 /nfs/dbraw/zinc/96/67/20/934966720.db2.gz ZUTOEDDTULEGLD-ZFDPJTLLSA-N 1 0 274.364 3.472 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C/C=C/C1CC1 ZINC001327594796 935072701 /nfs/dbraw/zinc/07/27/01/935072701.db2.gz DNEXISBPDNPGLW-PGLGOXFNSA-N 1 0 276.336 3.220 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1C[C@@H]2[C@H](C1)C2(F)F ZINC001330767888 935321034 /nfs/dbraw/zinc/32/10/34/935321034.db2.gz UKXGZCBGCZJFQN-LZCFQYFPSA-N 1 0 294.301 3.241 20 5 CGBDRO CC[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001559755829 938234658 /nfs/dbraw/zinc/23/46/58/938234658.db2.gz KJKAYYYSDODMAB-OCCSQVGLSA-N 1 0 277.368 3.390 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CCC3)C2)cc1 ZINC000591061915 346897248 /nfs/dbraw/zinc/89/72/48/346897248.db2.gz NWTMLZYRYBQOML-AWEZNQCLSA-N 1 0 260.337 3.217 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](C3CCC3)C2)cs1 ZINC000591062206 346898163 /nfs/dbraw/zinc/89/81/63/346898163.db2.gz XPNUXKPJDJIIKP-LBPRGKRZSA-N 1 0 266.366 3.278 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@H](C)CCSC)cc1[N+](=O)[O-] ZINC000126479108 187242933 /nfs/dbraw/zinc/24/29/33/187242933.db2.gz CORMVNTXIKDIMX-LLVKDONJSA-N 1 0 298.408 3.177 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1CCC(CF)CC1 ZINC000295012613 199299683 /nfs/dbraw/zinc/29/96/83/199299683.db2.gz JORGRBOTHAEBDL-HWKANZROSA-N 1 0 278.327 3.290 20 5 CGBDRO CC[N@H+](CCSC)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592197352 346971381 /nfs/dbraw/zinc/97/13/81/346971381.db2.gz AWWIQPLLCQYNNR-NSHDSACASA-N 1 0 268.382 3.341 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H](C)CC(F)F ZINC000592372591 346979735 /nfs/dbraw/zinc/97/97/35/346979735.db2.gz AJDIUIBQNSMBCX-VIFPVBQESA-N 1 0 272.295 3.284 20 5 CGBDRO C[C@H](Cc1cccs1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000036992540 344946475 /nfs/dbraw/zinc/94/64/75/344946475.db2.gz KOVKBAXQLVIMTJ-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295099979 199345026 /nfs/dbraw/zinc/34/50/26/199345026.db2.gz VXTGEOWUFMYIOV-DOMZBBRYSA-N 1 0 294.395 3.055 20 5 CGBDRO CCCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000058592307 345197774 /nfs/dbraw/zinc/19/77/74/345197774.db2.gz SSADJZPBWSCJHG-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000075768746 232176081 /nfs/dbraw/zinc/17/60/81/232176081.db2.gz NCVXCNRLYUKRMF-ZFWWWQNUSA-N 1 0 260.337 3.359 20 5 CGBDRO CN(C)c1ccccc1C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000072582868 345413611 /nfs/dbraw/zinc/41/36/11/345413611.db2.gz SBPCVTZQUKJZDE-UHFFFAOYSA-N 1 0 299.374 3.293 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000074320650 345466379 /nfs/dbraw/zinc/46/63/79/345466379.db2.gz LDPGRNDSQPHVOJ-UHFFFAOYSA-N 1 0 250.342 3.258 20 5 CGBDRO CCOC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000075645247 345517249 /nfs/dbraw/zinc/51/72/49/345517249.db2.gz FGDQRBLEMYHCST-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000090910039 345797051 /nfs/dbraw/zinc/79/70/51/345797051.db2.gz XJONSFFTWCONSF-RYUDHWBXSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H](c1cccnc1)N(C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000127777893 346034878 /nfs/dbraw/zinc/03/48/78/346034878.db2.gz HIYGDWKOLOSUFG-LLVKDONJSA-N 1 0 289.310 3.322 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000127548236 187315342 /nfs/dbraw/zinc/31/53/42/187315342.db2.gz PPGXSZDOHZPZOH-ZDUSSCGKSA-N 1 0 285.347 3.491 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)c1ncc[nH]1 ZINC000159414123 346167788 /nfs/dbraw/zinc/16/77/88/346167788.db2.gz ZZHDQMQMNQYRFE-SSDOTTSWSA-N 1 0 266.688 3.144 20 5 CGBDRO C[C@H]([NH2+]CC1(CO)CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000157966455 346163204 /nfs/dbraw/zinc/16/32/04/346163204.db2.gz WVCINIVPKURVCH-ZDUSSCGKSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000322796907 346489558 /nfs/dbraw/zinc/48/95/58/346489558.db2.gz OZUQCPLBEDOLLX-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCCCF)C1CC1 ZINC000351750805 219196102 /nfs/dbraw/zinc/19/61/02/219196102.db2.gz BGTBKYGJWCHUOL-UHFFFAOYSA-N 1 0 266.316 3.309 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCCO1 ZINC000594045272 347143887 /nfs/dbraw/zinc/14/38/87/347143887.db2.gz UWPHOEGBRPIWDI-CABCVRRESA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000594518329 347187540 /nfs/dbraw/zinc/18/75/40/347187540.db2.gz OURGMKDIVSNABB-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO COc1ccc(C[NH2+]C(C)(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000594992182 347250978 /nfs/dbraw/zinc/25/09/78/347250978.db2.gz CQZZAEJQQHJYQR-UHFFFAOYSA-N 1 0 290.363 3.272 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000594996447 347251736 /nfs/dbraw/zinc/25/17/36/347251736.db2.gz BPDTVIADMCJFKF-INIZCTEOSA-N 1 0 292.379 3.280 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000594974666 347246502 /nfs/dbraw/zinc/24/65/02/347246502.db2.gz DWFPQEVKJNYUTL-KCQAQPDRSA-N 1 0 260.337 3.121 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@]1(C)CC1(F)F ZINC000594976828 347246821 /nfs/dbraw/zinc/24/68/21/347246821.db2.gz HAACVLGHIUMGPV-LBPRGKRZSA-N 1 0 270.279 3.038 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCC2CCC2)cs1 ZINC000594978319 347247056 /nfs/dbraw/zinc/24/70/56/347247056.db2.gz SMQPLMIRZLBOAY-UHFFFAOYSA-N 1 0 254.355 3.326 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(F)F ZINC000594977682 347247213 /nfs/dbraw/zinc/24/72/13/347247213.db2.gz NMBOHBLZEYFGQH-GFCCVEGCSA-N 1 0 288.269 3.259 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594984476 347249324 /nfs/dbraw/zinc/24/93/24/347249324.db2.gz IPENWZROSUONTF-MFKMUULPSA-N 1 0 298.770 3.295 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)CSC ZINC000595011616 347256610 /nfs/dbraw/zinc/25/66/10/347256610.db2.gz ZZNBFULZTPMXDF-ZJUUUORDSA-N 1 0 284.381 3.006 20 5 CGBDRO C[C@@H]([NH2+]C1CC(CF)(CF)C1)c1ccccc1[N+](=O)[O-] ZINC000595025613 347260920 /nfs/dbraw/zinc/26/09/20/347260920.db2.gz HPNKKSNZHKCBPI-SNVBAGLBSA-N 1 0 284.306 3.333 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)SC ZINC000595035989 347265301 /nfs/dbraw/zinc/26/53/01/347265301.db2.gz OTIXHUXBYVWOAF-UWVGGRQHSA-N 1 0 284.381 3.006 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC(C)(C)C1 ZINC000595051937 347269889 /nfs/dbraw/zinc/26/98/89/347269889.db2.gz XXYZIHRUXLCYHD-NWDGAFQWSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000595052087 347269924 /nfs/dbraw/zinc/26/99/24/347269924.db2.gz QMTOQZQMYVNQQX-DCAQKATOSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000595079187 347278977 /nfs/dbraw/zinc/27/89/77/347278977.db2.gz ILPVJRXIBBZNHT-JOYOIKCWSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1=CCCC1 ZINC000595095257 347281811 /nfs/dbraw/zinc/28/18/11/347281811.db2.gz HKQNXIGWHQHZND-AWEZNQCLSA-N 1 0 258.321 3.282 20 5 CGBDRO Cc1noc(C[NH2+][C@@H](C)[C@@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595419931 347300982 /nfs/dbraw/zinc/30/09/82/347300982.db2.gz AXCTYWDKVAOVRW-MNOVXSKESA-N 1 0 289.335 3.173 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2CCCC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595429441 347302349 /nfs/dbraw/zinc/30/23/49/347302349.db2.gz NSOAVNLDZCDJEU-VXGBXAGGSA-N 1 0 281.356 3.196 20 5 CGBDRO CC(C)=CCC[N@@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000595483899 347310405 /nfs/dbraw/zinc/31/04/05/347310405.db2.gz IZYHKJNPNCNIBT-UHFFFAOYSA-N 1 0 262.353 3.425 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595543484 347317465 /nfs/dbraw/zinc/31/74/65/347317465.db2.gz JYXKWNYOXFDKDQ-ZUZCIYMTSA-N 1 0 296.342 3.027 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000596305785 347413450 /nfs/dbraw/zinc/41/34/50/347413450.db2.gz AKYAMISHSJNCDT-NSHDSACASA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1cc(N2CCC3(CCC[N@H+]3C)CC2)c([N+](=O)[O-])s1 ZINC000596182029 347395165 /nfs/dbraw/zinc/39/51/65/347395165.db2.gz KFLQMZOYGFALLF-UHFFFAOYSA-N 1 0 295.408 3.029 20 5 CGBDRO Cc1ncc(-c2ccc(CC[NH+](C)C)cc2)cc1[N+](=O)[O-] ZINC000596634023 347494465 /nfs/dbraw/zinc/49/44/65/347494465.db2.gz DAISIOVXJMYPSV-UHFFFAOYSA-N 1 0 285.347 3.069 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@@H]1C[C@H]1C1CC1 ZINC000598954718 347700568 /nfs/dbraw/zinc/70/05/68/347700568.db2.gz FSKWUEQVBYVQCU-BPNCWPANSA-N 1 0 260.337 3.119 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599059503 347711984 /nfs/dbraw/zinc/71/19/84/347711984.db2.gz XWDZRNSQFIHNNW-ZIAGYGMSSA-N 1 0 292.379 3.371 20 5 CGBDRO CCC[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OCC ZINC000599058712 347712259 /nfs/dbraw/zinc/71/22/59/347712259.db2.gz FRQQYSSZWGCNRX-DOMZBBRYSA-N 1 0 292.379 3.377 20 5 CGBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000599070257 347713837 /nfs/dbraw/zinc/71/38/37/347713837.db2.gz YBYPQTDVPBPPNY-JSGCOSHPSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1c(NCCCOC(F)F)ccc2cnccc21 ZINC000599072902 347714549 /nfs/dbraw/zinc/71/45/49/347714549.db2.gz BMESRUIGZQEOAN-UHFFFAOYSA-N 1 0 297.261 3.184 20 5 CGBDRO C/C=C/C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599084906 347715913 /nfs/dbraw/zinc/71/59/13/347715913.db2.gz UOZHTMDYKQWLDP-MZSZDEQASA-N 1 0 274.364 3.472 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599091553 347716417 /nfs/dbraw/zinc/71/64/17/347716417.db2.gz JIWHYXPGAWUWGI-UHOFOFEASA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000599140871 347720566 /nfs/dbraw/zinc/72/05/66/347720566.db2.gz ISBJTOKBELBUFD-NSHDSACASA-N 1 0 283.397 3.109 20 5 CGBDRO CCO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000599426000 347742889 /nfs/dbraw/zinc/74/28/89/347742889.db2.gz TVRAVBLYHGPPPT-HNNXBMFYSA-N 1 0 292.379 3.235 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@]1(C)CCCS1 ZINC000600155087 347785429 /nfs/dbraw/zinc/78/54/29/347785429.db2.gz DAUGEPRWUYAJIR-HNNXBMFYSA-N 1 0 294.420 3.355 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000601191702 347878895 /nfs/dbraw/zinc/87/88/95/347878895.db2.gz PVIWDPZSBHMGBB-JTQLQIEISA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC(C)(C)F)cccc1[N+](=O)[O-] ZINC000601287800 347888894 /nfs/dbraw/zinc/88/88/94/347888894.db2.gz MGQUAZVHASDUAQ-JTQLQIEISA-N 1 0 254.305 3.302 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000601289849 347889203 /nfs/dbraw/zinc/88/92/03/347889203.db2.gz UVAZWYMMBFBPPW-JSGCOSHPSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000601289148 347889389 /nfs/dbraw/zinc/88/93/89/347889389.db2.gz IWZWZFPGAYXXTO-QWHCGFSZSA-N 1 0 280.368 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C[C@H]3CC=CCC3)nc2c1 ZINC000602525923 347975606 /nfs/dbraw/zinc/97/56/06/347975606.db2.gz UAXUXMWDMNUZJW-NSHDSACASA-N 1 0 287.319 3.182 20 5 CGBDRO CC[C@](C)(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000602673089 348005564 /nfs/dbraw/zinc/00/55/64/348005564.db2.gz OJDACKIWQQDGSP-OAHLLOKOSA-N 1 0 280.368 3.235 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409281 348119743 /nfs/dbraw/zinc/11/97/43/348119743.db2.gz OLXVLXMWZNBGQP-RYUDHWBXSA-N 1 0 297.424 3.436 20 5 CGBDRO CCC(CC)[C@H](CNc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000603438485 348083588 /nfs/dbraw/zinc/08/35/88/348083588.db2.gz UWLOLVNNNQEDEL-HNNXBMFYSA-N 1 0 279.384 3.373 20 5 CGBDRO C[NH+](C)C1(CNc2ccc(F)cc2[N+](=O)[O-])CCCCC1 ZINC000603473306 348086164 /nfs/dbraw/zinc/08/61/64/348086164.db2.gz YUNJXKVWNGCUND-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@H]1CCO[C@@H](C)C1 ZINC000273348833 192122157 /nfs/dbraw/zinc/12/21/57/192122157.db2.gz AMIYOTZHJIVSKX-KBPBESRZSA-N 1 0 292.379 3.198 20 5 CGBDRO COCC1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000339446157 215177724 /nfs/dbraw/zinc/17/77/24/215177724.db2.gz DUDCDDYBFQCSDH-UHFFFAOYSA-N 1 0 296.342 3.030 20 5 CGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccc([N+](=O)[O-])s1 ZINC000609560592 348346839 /nfs/dbraw/zinc/34/68/39/348346839.db2.gz RJTRLPRIQVRCTM-UTUOFQBUSA-N 1 0 297.424 3.435 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610133415 348363991 /nfs/dbraw/zinc/36/39/91/348363991.db2.gz OAFKJHUMZQHIOH-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H]1C[C@H](C)[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000610133375 348364046 /nfs/dbraw/zinc/36/40/46/348364046.db2.gz LHSBMBUISJBAFV-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO C[NH+](C)CC1CCC(Nc2ccsc2[N+](=O)[O-])CC1 ZINC000611001666 348417286 /nfs/dbraw/zinc/41/72/86/348417286.db2.gz UHTLUNXCVQOWSP-UHFFFAOYSA-N 1 0 283.397 3.189 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581403 348391158 /nfs/dbraw/zinc/39/11/58/348391158.db2.gz SXUQROGBQMOTKM-JTQLQIEISA-N 1 0 275.308 3.110 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000610717421 348399006 /nfs/dbraw/zinc/39/90/06/348399006.db2.gz KUICNHCXESGOJE-HNNXBMFYSA-N 1 0 292.379 3.280 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c(C)n1 ZINC000611300334 348436688 /nfs/dbraw/zinc/43/66/88/348436688.db2.gz LYTBFRSAAUSCHD-CYBMUJFWSA-N 1 0 299.374 3.500 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)C(C)C)ccc1[N+](=O)[O-] ZINC000351971608 219270420 /nfs/dbraw/zinc/27/04/20/219270420.db2.gz UVINRCWSLAXJBM-NSHDSACASA-N 1 0 266.341 3.080 20 5 CGBDRO CC(C)[N@H+](C)CC1CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000611411819 348448691 /nfs/dbraw/zinc/44/86/91/348448691.db2.gz SDVLKZAHHSVEDY-UHFFFAOYSA-N 1 0 297.424 3.213 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413105 348449140 /nfs/dbraw/zinc/44/91/40/348449140.db2.gz TUTZKAWMOOYKAC-GHMZBOCLSA-N 1 0 283.397 3.331 20 5 CGBDRO C[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1F ZINC000611501828 348457008 /nfs/dbraw/zinc/45/70/08/348457008.db2.gz ISNLZLBFDPWXEN-WFASDCNBSA-N 1 0 296.342 3.044 20 5 CGBDRO Cc1cc(N2CC=CCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611931043 348480740 /nfs/dbraw/zinc/48/07/40/348480740.db2.gz KBSWGAQZGDIIIA-UHFFFAOYSA-N 1 0 269.304 3.218 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941925 348482323 /nfs/dbraw/zinc/48/23/23/348482323.db2.gz FCGUOEMCDVHKLB-OLZOCXBDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000358003667 233035726 /nfs/dbraw/zinc/03/57/26/233035726.db2.gz JIRXJPBMFVIGNF-LBPRGKRZSA-N 1 0 298.342 3.476 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1CNc1cc[nH+]c(C)c1Cl ZINC000616955443 348886603 /nfs/dbraw/zinc/88/66/03/348886603.db2.gz VNGFLLJVTFYIFI-UHFFFAOYSA-N 1 0 291.738 3.294 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C(C(C)C)C(C)C ZINC000619531727 349257060 /nfs/dbraw/zinc/25/70/60/349257060.db2.gz SRHQSJVXQSLYSN-UHFFFAOYSA-N 1 0 280.368 3.374 20 5 CGBDRO C[NH+](C)CC1(Nc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000359282475 233289639 /nfs/dbraw/zinc/28/96/39/233289639.db2.gz DPFHCIKMZPSUJV-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC4(CCC4)C3)nc2c1 ZINC000123184640 187076217 /nfs/dbraw/zinc/07/62/17/187076217.db2.gz WRFADFPBHJTTPS-UHFFFAOYSA-N 1 0 287.319 3.112 20 5 CGBDRO COC[C@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000122623016 187041853 /nfs/dbraw/zinc/04/18/53/187041853.db2.gz PURWSEANJRZZDF-LBPRGKRZSA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000271478286 191161636 /nfs/dbraw/zinc/16/16/36/191161636.db2.gz JHIVEJPVMBVWIT-KGYLQXTDSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1nc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000271497700 191175357 /nfs/dbraw/zinc/17/53/57/191175357.db2.gz LSOFRKOGLNIMAH-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000271598102 191234313 /nfs/dbraw/zinc/23/43/13/191234313.db2.gz UVOZEBRSJGJEOE-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC(C)(C)OC1CC([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000156653340 188274684 /nfs/dbraw/zinc/27/46/84/188274684.db2.gz NCWUHRAJFWABMR-UHFFFAOYSA-N 1 0 278.352 3.031 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157678385 188331993 /nfs/dbraw/zinc/33/19/93/188331993.db2.gz QBHGKRRKTHAMPV-ZENOOKHLSA-N 1 0 294.395 3.433 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCSC3(CCC3)CC2)cc1 ZINC000411872611 235089439 /nfs/dbraw/zinc/08/94/39/235089439.db2.gz VWEGLIMRRNFHOR-UHFFFAOYSA-N 1 0 292.404 3.456 20 5 CGBDRO Cc1ccc(NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413431571 235277753 /nfs/dbraw/zinc/27/77/53/235277753.db2.gz BCJVDYRSEIEVDW-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414293288 235381354 /nfs/dbraw/zinc/38/13/54/235381354.db2.gz YXMRXUNVDNOFTG-GFQSEFKGSA-N 1 0 278.352 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1 ZINC000426475299 236297791 /nfs/dbraw/zinc/29/77/91/236297791.db2.gz XVOKPRMQMJNIMA-CJNGLKHVSA-N 1 0 290.363 3.238 20 5 CGBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919039 138583080 /nfs/dbraw/zinc/58/30/80/138583080.db2.gz GULYDUHDCUFFCY-JTQLQIEISA-N 1 0 254.305 3.210 20 5 CGBDRO CC(C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000301066736 200906216 /nfs/dbraw/zinc/90/62/16/200906216.db2.gz IGDGAOMKVTWURS-OAHLLOKOSA-N 1 0 277.368 3.127 20 5 CGBDRO Cc1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([N+](=O)[O-])c1 ZINC000301432793 201007115 /nfs/dbraw/zinc/00/71/15/201007115.db2.gz HRROPJZTBBQYHV-CYBMUJFWSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000119503381 370680914 /nfs/dbraw/zinc/68/09/14/370680914.db2.gz XBHRFUJHECJSJS-STMXVASLSA-N 1 0 290.363 3.107 20 5 CGBDRO Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301634947 201107814 /nfs/dbraw/zinc/10/78/14/201107814.db2.gz KXABHNQLYKASJI-LBPRGKRZSA-N 1 0 279.384 3.291 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301810338 201213212 /nfs/dbraw/zinc/21/32/12/201213212.db2.gz XSQISEFSCBMREX-VHSXEESVSA-N 1 0 299.321 3.158 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301984746 201287344 /nfs/dbraw/zinc/28/73/44/201287344.db2.gz CEGHJJIJCQHJST-GFCCVEGCSA-N 1 0 295.408 3.333 20 5 CGBDRO CSCCN(C)c1cc(C)[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000302084245 201337900 /nfs/dbraw/zinc/33/79/00/201337900.db2.gz MTBIFGSDLNJWHJ-UHFFFAOYSA-N 1 0 291.376 3.251 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCC12CCC2 ZINC000449166601 239216623 /nfs/dbraw/zinc/21/66/23/239216623.db2.gz DZOBECGVNDBFQG-OAHLLOKOSA-N 1 0 274.364 3.450 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1 ZINC000449193471 239236077 /nfs/dbraw/zinc/23/60/77/239236077.db2.gz SMPDFXYVCLYNLU-YPMHNXCESA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCSC1 ZINC000449328157 239319039 /nfs/dbraw/zinc/31/90/39/239319039.db2.gz DYTNPHMCMQIRGZ-CHWSQXEVSA-N 1 0 294.420 3.259 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH+]3CC4(CC4)C3)o2)c1 ZINC000449370454 239354730 /nfs/dbraw/zinc/35/47/30/239354730.db2.gz JZEIVXVGJDLTLO-UHFFFAOYSA-N 1 0 284.315 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000459761905 242216956 /nfs/dbraw/zinc/21/69/56/242216956.db2.gz NFHLTIDZQQAUFZ-LJWDBELGSA-N 1 0 264.300 3.012 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959057 242320328 /nfs/dbraw/zinc/32/03/28/242320328.db2.gz RUKMRZRIEKVZJT-GHMZBOCLSA-N 1 0 293.342 3.079 20 5 CGBDRO COC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CCCC1 ZINC000478489499 243078509 /nfs/dbraw/zinc/07/85/09/243078509.db2.gz NBRNIKICWDXCGC-OAHLLOKOSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000479588830 243114849 /nfs/dbraw/zinc/11/48/49/243114849.db2.gz HZZHFIYZVFQRAK-DFVUYQKZSA-N 1 0 288.269 3.396 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392156 243190624 /nfs/dbraw/zinc/19/06/24/243190624.db2.gz RZBKULRNWUVLIW-DOMZBBRYSA-N 1 0 278.352 3.094 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000025609578 368850896 /nfs/dbraw/zinc/85/08/96/368850896.db2.gz WANMSVOOBCHCLZ-INIZCTEOSA-N 1 0 285.347 3.310 20 5 CGBDRO C[C@@H]1CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000033394646 368963331 /nfs/dbraw/zinc/96/33/31/368963331.db2.gz JEORQQLXFZZLLJ-DMTLFAOVSA-N 1 0 260.337 3.340 20 5 CGBDRO C[NH+](C)Cc1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000037141108 369068142 /nfs/dbraw/zinc/06/81/42/369068142.db2.gz FSWBZGBLJDZDMF-UHFFFAOYSA-N 1 0 285.347 3.269 20 5 CGBDRO CCC[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000049531852 369408162 /nfs/dbraw/zinc/40/81/62/369408162.db2.gz KDBODMPWFOBPSL-UHFFFAOYSA-N 1 0 260.293 3.354 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1)C1(C)CC1 ZINC000276319150 193286402 /nfs/dbraw/zinc/28/64/02/193286402.db2.gz ODCYQECLNPMRPS-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000070306216 369794116 /nfs/dbraw/zinc/79/41/16/369794116.db2.gz WSFREOIGQPDUNC-SECBINFHSA-N 1 0 254.355 3.325 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000090535555 370061912 /nfs/dbraw/zinc/06/19/12/370061912.db2.gz GWXIHWURXKPLEK-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000094659604 370168578 /nfs/dbraw/zinc/16/85/78/370168578.db2.gz CWEBFQALDWJBLY-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000130914998 371070312 /nfs/dbraw/zinc/07/03/12/371070312.db2.gz RBONBRARLVZGBG-CHWSQXEVSA-N 1 0 291.395 3.037 20 5 CGBDRO CCCC[N@H+](CC)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000132668633 371192343 /nfs/dbraw/zinc/19/23/43/371192343.db2.gz ISWYZXCEVKZRPQ-UHFFFAOYSA-N 1 0 293.367 3.045 20 5 CGBDRO CCOc1cccc(NCC[N@H+](C)[C@H](C)CC)c1[N+](=O)[O-] ZINC000220314365 376207792 /nfs/dbraw/zinc/20/77/92/376207792.db2.gz HOTDVMDKGZBMBL-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153169342 371754129 /nfs/dbraw/zinc/75/41/29/371754129.db2.gz BRVLLPAXYLXEFN-FPMFFAJLSA-N 1 0 260.337 3.388 20 5 CGBDRO COCCCCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000153251467 371758462 /nfs/dbraw/zinc/75/84/62/371758462.db2.gz RJZCDMGBDDHLNT-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000289799772 371826367 /nfs/dbraw/zinc/82/63/67/371826367.db2.gz MDHWEQQCPKAVTC-LLVKDONJSA-N 1 0 299.802 3.067 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000344154795 217078117 /nfs/dbraw/zinc/07/81/17/217078117.db2.gz YZIQBUYGTFPFAX-CQSZACIVSA-N 1 0 290.363 3.225 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CCCC[C@@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000159238293 372119928 /nfs/dbraw/zinc/11/99/28/372119928.db2.gz DRQULGRELYFJRA-VBNZEHGJSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCSC1 ZINC000159658962 372166665 /nfs/dbraw/zinc/16/66/65/372166665.db2.gz ROQQXNQUEUOHTM-OCCSQVGLSA-N 1 0 294.420 3.401 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000159273894 372124715 /nfs/dbraw/zinc/12/47/15/372124715.db2.gz QNNQGMWKXCYHDY-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000428458191 372210569 /nfs/dbraw/zinc/21/05/69/372210569.db2.gz KNVOLOZLOKBLSU-WFASDCNBSA-N 1 0 260.337 3.278 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344257957 217123649 /nfs/dbraw/zinc/12/36/49/217123649.db2.gz BEXBBPLPRWNURP-ZDUSSCGKSA-N 1 0 292.379 3.234 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000159993103 372201927 /nfs/dbraw/zinc/20/19/27/372201927.db2.gz SUSRPXAOYXAIMX-LLVKDONJSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@@H]([NH2+]CCCC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000163247799 372457609 /nfs/dbraw/zinc/45/76/09/372457609.db2.gz SLZCOCHYQJRQSH-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163828655 372495165 /nfs/dbraw/zinc/49/51/65/372495165.db2.gz MRWIVJDNWHVWSY-DETPVDSQSA-N 1 0 294.395 3.351 20 5 CGBDRO CCCC[N@@H+]1CCCC[C@@H]1CNc1ccc([N+](=O)[O-])nc1 ZINC000344436044 217191093 /nfs/dbraw/zinc/19/10/93/217191093.db2.gz PHFHNFYKADGRJX-CQSZACIVSA-N 1 0 292.383 3.056 20 5 CGBDRO COC[C@@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C(C)C ZINC000165914893 372558354 /nfs/dbraw/zinc/55/83/54/372558354.db2.gz MBRLVIDNOXTZST-SWLSCSKDSA-N 1 0 280.368 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000168686158 372617719 /nfs/dbraw/zinc/61/77/19/372617719.db2.gz WMEIALCFEMSMBB-WCQYABFASA-N 1 0 280.393 3.449 20 5 CGBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)ccc1[N+](=O)[O-] ZINC000433788118 372631315 /nfs/dbraw/zinc/63/13/15/372631315.db2.gz BSCOBMWECVCWOH-HNNXBMFYSA-N 1 0 289.379 3.332 20 5 CGBDRO CC1(C)CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000171671568 372803760 /nfs/dbraw/zinc/80/37/60/372803760.db2.gz FBTZHAPACYXIHI-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@H](c1ccncc1)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000171921052 372854214 /nfs/dbraw/zinc/85/42/14/372854214.db2.gz VCZNVWXPUNCPAQ-GFCCVEGCSA-N 1 0 271.320 3.183 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000344698292 217279099 /nfs/dbraw/zinc/27/90/99/217279099.db2.gz NZGVWFNWARTNCJ-OCESRQBRSA-N 1 0 290.363 3.011 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1(C)C ZINC000295852384 372935859 /nfs/dbraw/zinc/93/58/59/372935859.db2.gz DQGXSESYTPLSAD-SWLSCSKDSA-N 1 0 292.379 3.403 20 5 CGBDRO COc1ccc(C[N@@H+]2CCCCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000353499926 220120909 /nfs/dbraw/zinc/12/09/09/220120909.db2.gz FEMHZGVCJDTIHK-LBPRGKRZSA-N 1 0 278.352 3.368 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000441441580 373013509 /nfs/dbraw/zinc/01/35/09/373013509.db2.gz XGLHSGVZUCOXSM-BBRMVZONSA-N 1 0 290.363 3.238 20 5 CGBDRO CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC1 ZINC000447584765 373456814 /nfs/dbraw/zinc/45/68/14/373456814.db2.gz HGJRJHOIDPKZNP-CHWSQXEVSA-N 1 0 292.383 3.055 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCO[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000300413843 373630480 /nfs/dbraw/zinc/63/04/80/373630480.db2.gz GUSKUJRWSGINMV-JYJNAYRXSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H](C[NH+]1CCCCCC1)Nc1ccc([N+](=O)[O-])cc1 ZINC000302430790 373868070 /nfs/dbraw/zinc/86/80/70/373868070.db2.gz PRFYMRQGBIHUMS-CYBMUJFWSA-N 1 0 277.368 3.271 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180256308 373983055 /nfs/dbraw/zinc/98/30/55/373983055.db2.gz WFBHXIXKGLXXMS-IUODEOHRSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305842845 374119471 /nfs/dbraw/zinc/11/94/71/374119471.db2.gz RQDLPMYGDDOAJR-MELADBBJSA-N 1 0 292.379 3.057 20 5 CGBDRO C[NH+](C)CC(C)(C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000308648057 374174268 /nfs/dbraw/zinc/17/42/68/374174268.db2.gz PZDWDQDEGZFKKW-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452113471 374238263 /nfs/dbraw/zinc/23/82/63/374238263.db2.gz CAGFIQBYGBKVRI-KBPBESRZSA-N 1 0 292.379 3.059 20 5 CGBDRO CC[C@H]([NH2+]CC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000313820987 374306170 /nfs/dbraw/zinc/30/61/70/374306170.db2.gz AWSVYNLXUQFDCL-HNNXBMFYSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@H]([NH2+]C1CC(C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000453257655 374374619 /nfs/dbraw/zinc/37/46/19/374374619.db2.gz VFUXPAHFKJBMSZ-FJJSSXBZSA-N 1 0 252.289 3.136 20 5 CGBDRO COCC1=CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000185887143 374761775 /nfs/dbraw/zinc/76/17/75/374761775.db2.gz SVRARMYXUVKXIZ-CYBMUJFWSA-N 1 0 290.363 3.243 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)C)C2)c([N+](=O)[O-])cc1F ZINC000464678279 374891666 /nfs/dbraw/zinc/89/16/66/374891666.db2.gz ONZPKDFMCDXVCP-NSHDSACASA-N 1 0 296.342 3.220 20 5 CGBDRO C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489888452 375319574 /nfs/dbraw/zinc/31/95/74/375319574.db2.gz RSWAAAGJDQKWLM-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO CCc1cccnc1[C@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000507505791 375708493 /nfs/dbraw/zinc/70/84/93/375708493.db2.gz DTAJYCIYYQNUOU-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO CC(C)OCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192601216 375769919 /nfs/dbraw/zinc/76/99/19/375769919.db2.gz LSPNOVXSUWAGAT-MRXNPFEDSA-N 1 0 292.379 3.377 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])O1 ZINC000516978640 375824318 /nfs/dbraw/zinc/82/43/18/375824318.db2.gz GHBFQDFHOGBQPS-SMDDNHRTSA-N 1 0 290.363 3.129 20 5 CGBDRO CSCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000336813072 375966313 /nfs/dbraw/zinc/96/63/13/375966313.db2.gz SVTRJVHNLDVKNE-UHFFFAOYSA-N 1 0 286.372 3.357 20 5 CGBDRO Cc1cc(NCC2(C)CC[NH+](C)CC2)c(F)cc1[N+](=O)[O-] ZINC000336849471 376011653 /nfs/dbraw/zinc/01/16/53/376011653.db2.gz RQWCDRNKFSHKMZ-UHFFFAOYSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000195454684 376106179 /nfs/dbraw/zinc/10/61/79/376106179.db2.gz AKGNVGQWARLLIV-LBPRGKRZSA-N 1 0 286.331 3.460 20 5 CGBDRO CCCC[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCOC ZINC000536673552 376118602 /nfs/dbraw/zinc/11/86/02/376118602.db2.gz LDJAELBJMDEUTF-CLFYSBASSA-N 1 0 292.379 3.357 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(F)(F)F ZINC000537078063 376147536 /nfs/dbraw/zinc/14/75/36/376147536.db2.gz QTRPHFSTSUXHER-BDAKNGLRSA-N 1 0 276.258 3.444 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000224109758 376272587 /nfs/dbraw/zinc/27/25/87/376272587.db2.gz UMUXGTWZPATWJF-YDHLFZDLSA-N 1 0 291.395 3.037 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000338357323 376346493 /nfs/dbraw/zinc/34/64/93/376346493.db2.gz ZQTNHQTVOKOVIU-CQSZACIVSA-N 1 0 298.358 3.275 20 5 CGBDRO Cc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000227833260 376415354 /nfs/dbraw/zinc/41/53/54/376415354.db2.gz XBLQMRFGCSFAFA-UHFFFAOYSA-N 1 0 262.353 3.429 20 5 CGBDRO Cc1cc(NCCC[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000227999584 376423133 /nfs/dbraw/zinc/42/31/33/376423133.db2.gz WKJLBCRUOKXELA-NSHDSACASA-N 1 0 289.335 3.024 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000230144492 376486149 /nfs/dbraw/zinc/48/61/49/376486149.db2.gz QZJIHGKFRMRYFH-QWHCGFSZSA-N 1 0 298.770 3.151 20 5 CGBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000230144399 376486713 /nfs/dbraw/zinc/48/67/13/376486713.db2.gz CZYVOYZRUDIBHP-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000231666854 376565106 /nfs/dbraw/zinc/56/51/06/376565106.db2.gz UNWLONQLFDWPJT-TUKIKUTGSA-N 1 0 292.379 3.449 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000230674108 376530298 /nfs/dbraw/zinc/53/02/98/376530298.db2.gz CBIZZSAPHNKLIR-AAEUAGOBSA-N 1 0 278.352 3.129 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000231750803 376570865 /nfs/dbraw/zinc/57/08/65/376570865.db2.gz UUFGRNHMBWYBJX-ZCFIWIBFSA-N 1 0 268.260 3.087 20 5 CGBDRO CCC[C@@H](C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883577 376574748 /nfs/dbraw/zinc/57/47/48/376574748.db2.gz SNHZSIQBWGJMFC-LLVKDONJSA-N 1 0 250.342 3.429 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000234832278 376619283 /nfs/dbraw/zinc/61/92/83/376619283.db2.gz LJDOAAHNNWSCDE-QWHCGFSZSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@H]([NH3+])CCNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000235489012 376641296 /nfs/dbraw/zinc/64/12/96/376641296.db2.gz WYTAAJGUPKGWHQ-LURJTMIESA-N 1 0 278.139 3.051 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC23CCC(CC2)C3)cc1 ZINC000339793009 376849695 /nfs/dbraw/zinc/84/96/95/376849695.db2.gz WRDFXGTZOVRDJW-UHFFFAOYSA-N 1 0 260.337 3.265 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000246562299 377052988 /nfs/dbraw/zinc/05/29/88/377052988.db2.gz DONKBQNILSTOGJ-ZJUUUORDSA-N 1 0 254.355 3.277 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000340499708 377105729 /nfs/dbraw/zinc/10/57/29/377105729.db2.gz FCVIVNDGMQVKQX-UONOGXRCSA-N 1 0 280.368 3.185 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000247057983 377150734 /nfs/dbraw/zinc/15/07/34/377150734.db2.gz XHHBNFSHZJVWMJ-QOWREQOWSA-N 1 0 290.363 3.059 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000341107803 377401583 /nfs/dbraw/zinc/40/15/83/377401583.db2.gz SAJYWOPBJVCVJP-TXEJJXNPSA-N 1 0 295.358 3.409 20 5 CGBDRO CC[C@@H]1CC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000516994499 249252911 /nfs/dbraw/zinc/25/29/11/249252911.db2.gz QSSOUFLANBKDNE-IAQYHMDHSA-N 1 0 287.363 3.397 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCO1 ZINC000251484276 377584791 /nfs/dbraw/zinc/58/47/91/377584791.db2.gz CLKPACZSTHOZBV-UXIGCNINSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000252672968 377646950 /nfs/dbraw/zinc/64/69/50/377646950.db2.gz FTMRZTHFYRGUOM-MNOVXSKESA-N 1 0 295.770 3.287 20 5 CGBDRO CC(C)[NH2+]C1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000265004649 377996703 /nfs/dbraw/zinc/99/67/03/377996703.db2.gz VUQIHKTUQFZJLF-UHFFFAOYSA-N 1 0 297.786 3.215 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000343948590 378141759 /nfs/dbraw/zinc/14/17/59/378141759.db2.gz IJQOPGPIQQXNNZ-LBPRGKRZSA-N 1 0 281.331 3.020 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000268982556 378164471 /nfs/dbraw/zinc/16/44/71/378164471.db2.gz PFMBDZDLISPDAQ-XJKSGUPXSA-N 1 0 294.395 3.177 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000270598570 378373285 /nfs/dbraw/zinc/37/32/85/378373285.db2.gz AEXDPFDDOIFZGF-ZFWWWQNUSA-N 1 0 292.379 3.278 20 5 CGBDRO CCOCC[N@H+](CC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270690438 378389346 /nfs/dbraw/zinc/38/93/46/378389346.db2.gz CBPOAJOIOACUJW-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO CC(C)C[C@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000272000234 378542773 /nfs/dbraw/zinc/54/27/73/378542773.db2.gz NTSZAASEMWWCBD-ZBFHGGJFSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H]([NH2+]CCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000274177621 378787618 /nfs/dbraw/zinc/78/76/18/378787618.db2.gz DJQGPYMKLJTDNO-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO CC(C)[N@H+](CCOC1CCC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000346837478 218031275 /nfs/dbraw/zinc/03/12/75/218031275.db2.gz OSWWHGNFDUHUJL-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO CC[C@@]1(CO)CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150413 378945469 /nfs/dbraw/zinc/94/54/69/378945469.db2.gz PIUSKYGPPIMGKL-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO C[N@@H+](C/C=C\c1ccncc1)CCc1ccccc1[N+](=O)[O-] ZINC000348675041 379015069 /nfs/dbraw/zinc/01/50/69/379015069.db2.gz PLOTVQUFDWVBFV-PLNGDYQASA-N 1 0 297.358 3.178 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)c1 ZINC000370718692 379060070 /nfs/dbraw/zinc/06/00/70/379060070.db2.gz FMHTVVUEBYUZBH-INIZCTEOSA-N 1 0 297.358 3.054 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000277303416 379125405 /nfs/dbraw/zinc/12/54/05/379125405.db2.gz UIWOUCAZNDEWOC-HIFRSBDPSA-N 1 0 291.395 3.072 20 5 CGBDRO CO[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000349961655 379461361 /nfs/dbraw/zinc/46/13/61/379461361.db2.gz BPGIWRJLSYDPBR-ZDUSSCGKSA-N 1 0 280.368 3.149 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(CCO)CCCCC1 ZINC000350117190 379512626 /nfs/dbraw/zinc/51/26/26/379512626.db2.gz XXVHSXWLMYQLBQ-UHFFFAOYSA-N 1 0 292.379 3.078 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000282463584 379924826 /nfs/dbraw/zinc/92/48/26/379924826.db2.gz GBLVRRYLKKXSLA-KCQAQPDRSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1C[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000388243098 379882515 /nfs/dbraw/zinc/88/25/15/379882515.db2.gz RRSSKLPPFANNSU-KOLCDFICSA-N 1 0 268.744 3.384 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000388232372 379882547 /nfs/dbraw/zinc/88/25/47/379882547.db2.gz BEFIXABKXHWSCE-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO CC[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000402251319 379963026 /nfs/dbraw/zinc/96/30/26/379963026.db2.gz ADYBZBXKEBRRLZ-CZUORRHYSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000400901601 379954744 /nfs/dbraw/zinc/95/47/44/379954744.db2.gz NGNGYEHAAZIRBY-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780064 379956143 /nfs/dbraw/zinc/95/61/43/379956143.db2.gz RLAZUPIAYXVWIF-LBPRGKRZSA-N 1 0 298.408 3.177 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)[C@H](O)C(C)C ZINC000414299137 380207078 /nfs/dbraw/zinc/20/70/78/380207078.db2.gz RAZOGPWTEJGMMO-DUVNUKRYSA-N 1 0 294.395 3.349 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc(F)cc2[N+](=O)[O-])C[C@@H]1C ZINC000354355545 380411107 /nfs/dbraw/zinc/41/11/07/380411107.db2.gz VNGIROIMEZMROV-AAEUAGOBSA-N 1 0 295.358 3.043 20 5 CGBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344289 380600116 /nfs/dbraw/zinc/60/01/16/380600116.db2.gz PYSBAIAOJWBMCP-BFQNTYOBSA-N 1 0 292.379 3.111 20 5 CGBDRO CCC[NH+](CCC)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000357649476 381238092 /nfs/dbraw/zinc/23/80/92/381238092.db2.gz MQLKOFNCJRKNEH-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO Cc1cc(NCC23CCC[NH+]2CCC3)c(F)cc1[N+](=O)[O-] ZINC000360089741 381442517 /nfs/dbraw/zinc/44/25/17/381442517.db2.gz MYCVZYKRVXACMX-UHFFFAOYSA-N 1 0 293.342 3.083 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c(C)n1 ZINC000360124315 381454453 /nfs/dbraw/zinc/45/44/53/381454453.db2.gz SXSLVFNZHCEWKP-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479022 381556284 /nfs/dbraw/zinc/55/62/84/381556284.db2.gz UQBULOKSTCADEO-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@H]1CC[C@@H](C)C1 ZINC000361642491 381853342 /nfs/dbraw/zinc/85/33/42/381853342.db2.gz JJSJGWJMNRHUPQ-CJNGLKHVSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCOC(C)(C)C1 ZINC000289369615 197315576 /nfs/dbraw/zinc/31/55/76/197315576.db2.gz BBUMRSZVMMFAGT-LBPRGKRZSA-N 1 0 298.408 3.436 20 5 CGBDRO CO[C@@H](C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777573 220325755 /nfs/dbraw/zinc/32/57/55/220325755.db2.gz BRHRGHJRWLCFKP-LEJCZOIISA-N 1 0 292.379 3.353 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCSC1)CCC2 ZINC000448027428 285144895 /nfs/dbraw/zinc/14/48/95/285144895.db2.gz MYHOBNDTESZEMP-IAQYHMDHSA-N 1 0 292.404 3.315 20 5 CGBDRO Cc1cc(NCC2=CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000288421912 197073877 /nfs/dbraw/zinc/07/38/77/197073877.db2.gz HHLOVNYGVKMRLE-UHFFFAOYSA-N 1 0 299.330 3.210 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426769385 533221278 /nfs/dbraw/zinc/22/12/78/533221278.db2.gz ILMBHBMXCPJVFQ-BETUJISGSA-N 1 0 290.363 3.225 20 5 CGBDRO COCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000281866834 195414274 /nfs/dbraw/zinc/41/42/74/195414274.db2.gz CHLSSESUIAXYAD-QPJJXVBHSA-N 1 0 290.363 3.014 20 5 CGBDRO COc1ccc(C[NH2+]CC(C)(C)C(C)C)cc1[N+](=O)[O-] ZINC000189472174 533658101 /nfs/dbraw/zinc/65/81/01/533658101.db2.gz GLGXSGMTTXSLHM-UHFFFAOYSA-N 1 0 280.368 3.375 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191208736 130201231 /nfs/dbraw/zinc/20/12/31/130201231.db2.gz QFAYUHDOGHWHEG-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000050351981 392063636 /nfs/dbraw/zinc/06/36/36/392063636.db2.gz MTJDSAROJUMVGB-JTQLQIEISA-N 1 0 295.770 3.144 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285591652 392327712 /nfs/dbraw/zinc/32/77/12/392327712.db2.gz BLVBFCXKUXZPQC-MFKMUULPSA-N 1 0 293.323 3.171 20 5 CGBDRO Cc1ccnc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000285983267 392360815 /nfs/dbraw/zinc/36/08/15/392360815.db2.gz GRIWUSGTRKMRJK-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CCC[C@@H]([NH2+][C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000109544480 392366507 /nfs/dbraw/zinc/36/65/07/392366507.db2.gz KSQKHNKFKQNNLR-DZGCQCFKSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCCO1 ZINC000263921528 131361222 /nfs/dbraw/zinc/36/12/22/131361222.db2.gz ZEIXJGHVSAQWSB-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1cccc([N+](=O)[O-])c1 ZINC000178315777 392677750 /nfs/dbraw/zinc/67/77/50/392677750.db2.gz OKCLXSWECPSXJN-QXSJWSMHSA-N 1 0 290.363 3.346 20 5 CGBDRO C[C@@H]1CC[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)O1 ZINC000191026394 392819344 /nfs/dbraw/zinc/81/93/44/392819344.db2.gz CDHQHVUYGATGJT-WBMJQRKESA-N 1 0 290.363 3.127 20 5 CGBDRO CCC[N@H+](CC)CCNc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000221027810 393004972 /nfs/dbraw/zinc/00/49/72/393004972.db2.gz SJDWCWUKWUFWSD-UHFFFAOYSA-N 1 0 295.383 3.137 20 5 CGBDRO CC/C=C\CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000466832137 393062115 /nfs/dbraw/zinc/06/21/15/393062115.db2.gz BLYRGJOUOUTJON-ARJAWSKDSA-N 1 0 289.379 3.073 20 5 CGBDRO CO[C@H](C)C[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000348835766 393132667 /nfs/dbraw/zinc/13/26/67/393132667.db2.gz UMOITURFLBBBQE-GFCCVEGCSA-N 1 0 280.368 3.185 20 5 CGBDRO C[C@@H]1C[C@H](C)N1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000547769146 393146420 /nfs/dbraw/zinc/14/64/20/393146420.db2.gz ZVGGIVUMIOFBRR-PHIMTYICSA-N 1 0 287.319 3.233 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCSC1 ZINC000468636937 393156618 /nfs/dbraw/zinc/15/66/18/393156618.db2.gz FXMHLSLIHZYWNE-HJTPGIPUSA-N 1 0 278.377 3.093 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@](C)(F)C1 ZINC000470175723 393229619 /nfs/dbraw/zinc/22/96/19/393229619.db2.gz FKLJLQCFKDHMKU-JQVXPOPVSA-N 1 0 278.327 3.432 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1cccn1C ZINC000470177210 393231801 /nfs/dbraw/zinc/23/18/01/393231801.db2.gz QJYFEAKKROKDJX-GXDHUFHOSA-N 1 0 299.374 3.469 20 5 CGBDRO C[C@H]([N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C)CC1 ZINC000548180244 393187497 /nfs/dbraw/zinc/18/74/97/393187497.db2.gz WKROGDHCSASTHQ-JTQLQIEISA-N 1 0 288.351 3.092 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000268973839 393211507 /nfs/dbraw/zinc/21/15/07/393211507.db2.gz BEBUWUAONDVSGK-YDHLFZDLSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccncc1)CCC2 ZINC000278369339 393319047 /nfs/dbraw/zinc/31/90/47/393319047.db2.gz CBAXWMPKNYSNHN-QGZVFWFLSA-N 1 0 297.358 3.200 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000430212131 393541120 /nfs/dbraw/zinc/54/11/20/393541120.db2.gz ZOCJIDKLDHQMPI-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H]2CC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582173 393488828 /nfs/dbraw/zinc/48/88/28/393488828.db2.gz ZVDPPTDTYQXJGJ-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H]1CCSCCN1Cc1c(F)cccc1[N+](=O)[O-] ZINC000429769293 393500825 /nfs/dbraw/zinc/50/08/25/393500825.db2.gz VISSXZRAPMBSQC-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C)[C@H](C1)C2(F)F ZINC000430109913 393523827 /nfs/dbraw/zinc/52/38/27/393523827.db2.gz WJMARJKIWUUNRN-UONOGXRCSA-N 1 0 296.317 3.380 20 5 CGBDRO CCOC1(C)CC[NH+](Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000430106363 393524297 /nfs/dbraw/zinc/52/42/97/393524297.db2.gz NADVJPGCALFFQG-UHFFFAOYSA-N 1 0 292.379 3.294 20 5 CGBDRO CC[C@@H]1C[NH+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H](CC)O1 ZINC000420948815 393554285 /nfs/dbraw/zinc/55/42/85/393554285.db2.gz FAARRJVDLZBHJV-HZPDHXFCSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H]([NH2+]CCOCC1CCC1)c1ccccc1[N+](=O)[O-] ZINC000360510552 393568904 /nfs/dbraw/zinc/56/89/04/393568904.db2.gz WQCMVDJHZHKZDF-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491144684 393667995 /nfs/dbraw/zinc/66/79/95/393667995.db2.gz ZJDLFKOIAYWQRL-NSHDSACASA-N 1 0 280.755 3.480 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H](CC)C2)ccc1[N+](=O)[O-] ZINC000492626698 393765191 /nfs/dbraw/zinc/76/51/91/393765191.db2.gz BKTSOVAJLRXITL-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708521 393790670 /nfs/dbraw/zinc/79/06/70/393790670.db2.gz RKKFWXBQDLDDKZ-QWRGUYRKSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449348707 393878807 /nfs/dbraw/zinc/87/88/07/393878807.db2.gz NNVYWVRMEQPRJN-COLVAYQJSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1c(C[N@H+]2CC[C@H](C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000501787352 393860330 /nfs/dbraw/zinc/86/03/30/393860330.db2.gz WHAGEWUEVIRQFP-NWDGAFQWSA-N 1 0 262.353 3.381 20 5 CGBDRO COC1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272268945 292170251 /nfs/dbraw/zinc/17/02/51/292170251.db2.gz CUFFZTSVERIULK-GFCCVEGCSA-N 1 0 278.352 3.075 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C2(C)CC2)c([N+](=O)[O-])cc1F ZINC000184233749 286217602 /nfs/dbraw/zinc/21/76/02/286217602.db2.gz YZQMMTPOCQHUSM-SNVBAGLBSA-N 1 0 296.342 3.363 20 5 CGBDRO COCC1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000295458996 292265346 /nfs/dbraw/zinc/26/53/46/292265346.db2.gz QRNZVECWTFVRCX-HSBZDZAISA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000037871739 286887846 /nfs/dbraw/zinc/88/78/46/286887846.db2.gz KYRRUEKOOXWATJ-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000080278319 165153424 /nfs/dbraw/zinc/15/34/24/165153424.db2.gz VSSZCTNXMHSLKN-CYBMUJFWSA-N 1 0 291.376 3.335 20 5 CGBDRO CC(C)CCO[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000083247443 165173773 /nfs/dbraw/zinc/17/37/73/165173773.db2.gz LQALMXCYNPBVDC-OAHLLOKOSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@H]([NH2+][C@@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090918469 165247260 /nfs/dbraw/zinc/24/72/60/165247260.db2.gz MQFSLDFGBGCKBY-GJZGRUSLSA-N 1 0 278.352 3.061 20 5 CGBDRO CC1=CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000284195195 196000371 /nfs/dbraw/zinc/00/03/71/196000371.db2.gz RUPWCVDEACOFOA-AWEZNQCLSA-N 1 0 260.337 3.226 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCOC1CCCCC1 ZINC000020191588 171057855 /nfs/dbraw/zinc/05/78/55/171057855.db2.gz PEIKGBCNMJYJRV-UHFFFAOYSA-N 1 0 292.379 3.424 20 5 CGBDRO CCC(CC)[C@H](CNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020202235 171066202 /nfs/dbraw/zinc/06/62/02/171066202.db2.gz RBWBJNNFJHNPQB-INIZCTEOSA-N 1 0 293.411 3.051 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@@H]2[C@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000284833634 196141484 /nfs/dbraw/zinc/14/14/84/196141484.db2.gz QPOSOVMYNHHTBN-HZPDHXFCSA-N 1 0 290.363 3.047 20 5 CGBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cc1 ZINC000035648686 172325498 /nfs/dbraw/zinc/32/54/98/172325498.db2.gz NTXGTALIBLWYGK-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO Cc1ccc(C[NH2+]C(C2CC2)C2CC2)cc1[N+](=O)[O-] ZINC000037230153 173050491 /nfs/dbraw/zinc/05/04/91/173050491.db2.gz JGRRAIPCVMHPIK-UHFFFAOYSA-N 1 0 260.337 3.181 20 5 CGBDRO CCC[C@H]([NH2+]CCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044656691 175225606 /nfs/dbraw/zinc/22/56/06/175225606.db2.gz LUFBMLGVTKYGBO-HNNXBMFYSA-N 1 0 280.368 3.452 20 5 CGBDRO CC[C@@H]([NH2+]CCCCOC)c1cccc([N+](=O)[O-])c1 ZINC000044656792 175225933 /nfs/dbraw/zinc/22/59/33/175225933.db2.gz PWKYGYYCKUSGTQ-CQSZACIVSA-N 1 0 266.341 3.062 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000071207426 176081093 /nfs/dbraw/zinc/08/10/93/176081093.db2.gz NSQDIZQALZOHOA-BXKDBHETSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1ccc(F)cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000129064162 287323399 /nfs/dbraw/zinc/32/33/99/287323399.db2.gz NPSROEMAMWXPFW-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CCCCOCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130847895 287364891 /nfs/dbraw/zinc/36/48/91/287364891.db2.gz JHYLKBZCNCXIEA-UHFFFAOYSA-N 1 0 292.379 3.376 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)CC(C)C ZINC000418100292 228049873 /nfs/dbraw/zinc/04/98/73/228049873.db2.gz OKOHHKZVDRJNML-HNNXBMFYSA-N 1 0 280.368 3.054 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CCO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000158058360 270052600 /nfs/dbraw/zinc/05/26/00/270052600.db2.gz QBMFMASGJBHMTA-IUODEOHRSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C/C=C\c1ccccc1 ZINC000220548042 270085985 /nfs/dbraw/zinc/08/59/85/270085985.db2.gz OGLFMOGYEJMYSW-TWGQIWQCSA-N 1 0 268.316 3.398 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000237936682 270091098 /nfs/dbraw/zinc/09/10/98/270091098.db2.gz CGJOHVONIOWMBG-CVEARBPZSA-N 1 0 282.343 3.488 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)OC ZINC000322621299 270093943 /nfs/dbraw/zinc/09/39/43/270093943.db2.gz NQVSYIBISWAVMH-WFASDCNBSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)C1CCC1 ZINC000325085852 270095103 /nfs/dbraw/zinc/09/51/03/270095103.db2.gz HXLQQZPDCUXQEC-ZDUSSCGKSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1CN(CC1(F)CC1)C1CC1 ZINC000527218410 270127061 /nfs/dbraw/zinc/12/70/61/270127061.db2.gz SYGLLDQQDVDVNN-UHFFFAOYSA-N 1 0 264.300 3.061 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC000532522494 270216938 /nfs/dbraw/zinc/21/69/38/270216938.db2.gz WTIJSMNPWOYJJR-LRDDRELGSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1cc(C)ccc1[N+](=O)[O-] ZINC000301573507 273642167 /nfs/dbraw/zinc/64/21/67/273642167.db2.gz PJWABVLKAOVFPA-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@@H]1CC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000338474898 274282840 /nfs/dbraw/zinc/28/28/40/274282840.db2.gz MJCQFWAFMCPGLO-GHMZBOCLSA-N 1 0 298.408 3.340 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229333 274310504 /nfs/dbraw/zinc/31/05/04/274310504.db2.gz LNFJQISQWIWFEP-GHMZBOCLSA-N 1 0 288.351 3.092 20 5 CGBDRO Cc1cccc(N[C@H](C)C[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000218835316 274795986 /nfs/dbraw/zinc/79/59/86/274795986.db2.gz HYBHDESNQCBOBB-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000453336767 274819845 /nfs/dbraw/zinc/81/98/45/274819845.db2.gz YVOGZBJXILZJEE-QGZVFWFLSA-N 1 0 297.358 3.465 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CS1 ZINC000277309035 276033602 /nfs/dbraw/zinc/03/36/02/276033602.db2.gz SLZQNUIHMCJEBD-GXTWGEPZSA-N 1 0 280.393 3.215 20 5 CGBDRO CC[NH+](CC)C[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000268024388 276109806 /nfs/dbraw/zinc/10/98/06/276109806.db2.gz ITNCSPMCXUDXNO-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO CC[NH2+]CC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000130013873 276264406 /nfs/dbraw/zinc/26/44/06/276264406.db2.gz JGVVEURUUDRMKW-UHFFFAOYSA-N 1 0 297.786 3.074 20 5 CGBDRO CC[N@H+](C[C@H](C)OC)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000291264362 276352523 /nfs/dbraw/zinc/35/25/23/276352523.db2.gz PASQQGWUEJAHRJ-RYUDHWBXSA-N 1 0 266.341 3.013 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000417357648 277332574 /nfs/dbraw/zinc/33/25/74/277332574.db2.gz HAUWLJRWZNZLKZ-OLZOCXBDSA-N 1 0 280.368 3.307 20 5 CGBDRO COCC(C)(C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000426350829 277480829 /nfs/dbraw/zinc/48/08/29/277480829.db2.gz IJMQLBIIMPGRCH-OAHLLOKOSA-N 1 0 292.379 3.234 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396518841 288013715 /nfs/dbraw/zinc/01/37/15/288013715.db2.gz BVNJZAXBNDYVPL-AAEUAGOBSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000020526185 278365283 /nfs/dbraw/zinc/36/52/83/278365283.db2.gz ZJOHFBVGKFURLG-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000459777772 278382715 /nfs/dbraw/zinc/38/27/15/278382715.db2.gz LSUOAQIJAUYYPV-DWZYQQQCSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000288492515 279068937 /nfs/dbraw/zinc/06/89/37/279068937.db2.gz HHZFDBJVHQUZKH-MEDUHNTESA-N 1 0 284.315 3.207 20 5 CGBDRO CC[N@H+](C[C@H]1CCCO1)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727907 279231444 /nfs/dbraw/zinc/23/14/44/279231444.db2.gz MKMRDUCMTHWCSF-UKRRQHHQSA-N 1 0 292.379 3.465 20 5 CGBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@H](C)C(C)C ZINC000444594705 279243231 /nfs/dbraw/zinc/24/32/31/279243231.db2.gz UXZHRTXIZUEMLN-LLVKDONJSA-N 1 0 290.367 3.338 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)C1CC1 ZINC000550930926 289091757 /nfs/dbraw/zinc/09/17/57/289091757.db2.gz MTCYNTQJDPRQNR-ZNMIVQPWSA-N 1 0 292.354 3.396 20 5 CGBDRO C[NH+](C)[C@H]1CCC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000553489329 289227226 /nfs/dbraw/zinc/22/72/26/289227226.db2.gz ZMKCZXZLEWCWIV-QWRGUYRKSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCOCC2CCC2)cccc1[N+](=O)[O-] ZINC000555242083 289335523 /nfs/dbraw/zinc/33/55/23/289335523.db2.gz JGLXFYWHHHHLRF-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@@H](C)F ZINC000559895339 289559754 /nfs/dbraw/zinc/55/97/54/289559754.db2.gz YJDMTZJRJXMSNM-GHMZBOCLSA-N 1 0 254.305 3.302 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000453360119 293560113 /nfs/dbraw/zinc/56/01/13/293560113.db2.gz KGEJDYDDRXKZLT-OZVIIMIRSA-N 1 0 292.379 3.367 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000163886893 321899216 /nfs/dbraw/zinc/89/92/16/321899216.db2.gz RLJQEIXJGALHCT-RYUDHWBXSA-N 1 0 288.351 3.049 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000563542193 322002400 /nfs/dbraw/zinc/00/24/00/322002400.db2.gz ZDPZSJFJVNCCJZ-APHBMKBZSA-N 1 0 294.395 3.433 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000564328865 322027672 /nfs/dbraw/zinc/02/76/72/322027672.db2.gz WKKGLNZXHUSJEQ-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCF ZINC000565925950 322097209 /nfs/dbraw/zinc/09/72/09/322097209.db2.gz MPTAGQPJKAHLRV-LLVKDONJSA-N 1 0 254.305 3.304 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569148273 322236711 /nfs/dbraw/zinc/23/67/11/322236711.db2.gz NKLGHGNSDKROSA-DGCLKSJQSA-N 1 0 287.363 3.397 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCS1 ZINC000570059305 322264086 /nfs/dbraw/zinc/26/40/86/322264086.db2.gz LRQIFTAWKVHVME-MFKMUULPSA-N 1 0 278.377 3.067 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000570792176 322282135 /nfs/dbraw/zinc/28/21/35/322282135.db2.gz XWICMUIPQXDHCC-UONOGXRCSA-N 1 0 292.379 3.371 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000571441555 322298884 /nfs/dbraw/zinc/29/88/84/322298884.db2.gz XCLCGALQOGRCSK-UONOGXRCSA-N 1 0 293.411 3.366 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@@H]1C ZINC000571947142 322313038 /nfs/dbraw/zinc/31/30/38/322313038.db2.gz QCCPDKDPAMVLBV-JSGCOSHPSA-N 1 0 262.353 3.461 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572780282 322354860 /nfs/dbraw/zinc/35/48/60/322354860.db2.gz FMNAEXBQKNCPKY-DOMZBBRYSA-N 1 0 292.379 3.377 20 5 CGBDRO Cc1cc(OC[C@H]2CC[C@H](C[NH3+])CC2)ccc1[N+](=O)[O-] ZINC000582843399 329277351 /nfs/dbraw/zinc/27/73/51/329277351.db2.gz AAPJFNUUKPFWOQ-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398155968 329435878 /nfs/dbraw/zinc/43/58/78/329435878.db2.gz UOYQQXWCSORFCW-GFCCVEGCSA-N 1 0 278.352 3.142 20 5 CGBDRO CCOc1cc(C[NH+]2C[C@H]3CCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000576089688 335151750 /nfs/dbraw/zinc/15/17/50/335151750.db2.gz JUESCIULNNBJAW-ZIAGYGMSSA-N 1 0 290.363 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCC1(O)CCC1 ZINC000578857125 335680899 /nfs/dbraw/zinc/68/08/99/335680899.db2.gz LGXNLADVFGDQDZ-CYBMUJFWSA-N 1 0 292.379 3.249 20 5 CGBDRO Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000380681837 336016471 /nfs/dbraw/zinc/01/64/71/336016471.db2.gz CJQBHUBHZMAZNR-LLVKDONJSA-N 1 0 283.347 3.183 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000425369082 533992034 /nfs/dbraw/zinc/99/20/34/533992034.db2.gz LCKXEUSFKVAIFF-TVYUQYBPSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1COc2ccccc21 ZINC000449137600 534254065 /nfs/dbraw/zinc/25/40/65/534254065.db2.gz YNWKHCHWYDHGCP-WFASDCNBSA-N 1 0 298.342 3.249 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000087710889 520429829 /nfs/dbraw/zinc/42/98/29/520429829.db2.gz DXOAYXIKLGKLJA-LSDHHAIUSA-N 1 0 290.363 3.032 20 5 CGBDRO CC[C@@H](CCO)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000094948575 522510380 /nfs/dbraw/zinc/51/03/80/522510380.db2.gz SAHMAJNHMUCPKP-WFASDCNBSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289864640 524961449 /nfs/dbraw/zinc/96/14/49/524961449.db2.gz QLPNAZWJTFCHDQ-LLVKDONJSA-N 1 0 284.306 3.114 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000414143001 528101550 /nfs/dbraw/zinc/10/15/50/528101550.db2.gz LCNVHWZIYYUYCZ-RWMBFGLXSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[NH+](CC)CCSCCc1ccc([N+](=O)[O-])cc1 ZINC000176946021 528164348 /nfs/dbraw/zinc/16/43/48/528164348.db2.gz IIBBBQPSMAOOGO-UHFFFAOYSA-N 1 0 282.409 3.212 20 5 CGBDRO CC[NH+](CC)[C@H](CNc1ccc([N+](=O)[O-])nc1)CC(C)C ZINC000344421669 528281772 /nfs/dbraw/zinc/28/17/72/528281772.db2.gz PKCUYUNCJRJUPP-AWEZNQCLSA-N 1 0 294.399 3.158 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358175900 529220439 /nfs/dbraw/zinc/22/04/39/529220439.db2.gz ZXOZZNLAXLGSIX-TZMCWYRMSA-N 1 0 280.368 3.105 20 5 CGBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCC1 ZINC000738315116 572371732 /nfs/dbraw/zinc/37/17/32/572371732.db2.gz UFLKBYTXQXKNED-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000725849462 572442419 /nfs/dbraw/zinc/44/24/19/572442419.db2.gz OGNIHEWWWVIZQX-ZDUSSCGKSA-N 1 0 286.331 3.152 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCOC1 ZINC000742380457 572570922 /nfs/dbraw/zinc/57/09/22/572570922.db2.gz MGJZAZQAIIRGQR-IINYFYTJSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734001113 572622117 /nfs/dbraw/zinc/62/21/17/572622117.db2.gz IWINQSKPOVUICT-LLVKDONJSA-N 1 0 266.316 3.498 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC2(CCCC2)C1 ZINC000743863317 572692127 /nfs/dbraw/zinc/69/21/27/572692127.db2.gz DGTXEMTZBQKPHJ-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2C3CCCC2CCC3)c1 ZINC000750079746 573079137 /nfs/dbraw/zinc/07/91/37/573079137.db2.gz TYQLMJZPTXMTMH-XUJLQICISA-N 1 0 290.363 3.035 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000934396571 618615821 /nfs/dbraw/zinc/61/58/21/618615821.db2.gz QBRIUENQSBDQFZ-DOMZBBRYSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000166353158 618668999 /nfs/dbraw/zinc/66/89/99/618668999.db2.gz QCNPHNGBDGTBKK-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000235179729 618729774 /nfs/dbraw/zinc/72/97/74/618729774.db2.gz NHHYPSFBCGGJEP-QMMMGPOBSA-N 1 0 276.258 3.334 20 5 CGBDRO COC1(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000312393539 619069428 /nfs/dbraw/zinc/06/94/28/619069428.db2.gz JHGXHRQYGZTZTH-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774260 619262633 /nfs/dbraw/zinc/26/26/33/619262633.db2.gz GEHGWYLHZBKOLQ-SNVBAGLBSA-N 1 0 254.305 3.354 20 5 CGBDRO CCc1ccc([C@@H]2CCCCC[N@@H+]2CC[N+](=O)[O-])o1 ZINC000791054105 619435593 /nfs/dbraw/zinc/43/55/93/619435593.db2.gz XIIUNVMALGCGBN-ZDUSSCGKSA-N 1 0 266.341 3.036 20 5 CGBDRO C[N@@H+]1CCC[C@H](CNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000054241210 620085331 /nfs/dbraw/zinc/08/53/31/620085331.db2.gz AEDMOJJKPPWRKR-SNVBAGLBSA-N 1 0 283.759 3.002 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCCO1 ZINC000896923543 620104009 /nfs/dbraw/zinc/10/40/09/620104009.db2.gz GIOHHRBAQRLIRR-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000896952367 620112473 /nfs/dbraw/zinc/11/24/73/620112473.db2.gz OONWLOPXUXMNDO-DGCLKSJQSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@H]1C[C@H]1C ZINC000840726131 620237140 /nfs/dbraw/zinc/23/71/40/620237140.db2.gz AELMZNBUZAEGNS-PTRXPTGYSA-N 1 0 268.744 3.382 20 5 CGBDRO C[C@@H]([NH2+]CC1CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872026437 620274530 /nfs/dbraw/zinc/27/45/30/620274530.db2.gz ATTFTXLGNZJKPV-SECBINFHSA-N 1 0 252.289 3.185 20 5 CGBDRO CC(C)(C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000897437752 620335426 /nfs/dbraw/zinc/33/54/26/620335426.db2.gz NXFOHJCPYCXFDY-UHFFFAOYSA-N 1 0 289.335 3.262 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CSC[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000897464035 620340726 /nfs/dbraw/zinc/34/07/26/620340726.db2.gz JTUIANOJWYPPCM-NQBHXWOUSA-N 1 0 280.393 3.039 20 5 CGBDRO C[C@H](C[NH2+]Cc1cccc(O)c1)c1ccccc1[N+](=O)[O-] ZINC000897470078 620342054 /nfs/dbraw/zinc/34/20/54/620342054.db2.gz XSXGEKYOJSYREG-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000147660602 620343160 /nfs/dbraw/zinc/34/31/60/620343160.db2.gz WSOTWZZPDVHQCG-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000897797733 620433537 /nfs/dbraw/zinc/43/35/37/620433537.db2.gz KTXUDEPEYCEFAX-LLVKDONJSA-N 1 0 298.383 3.498 20 5 CGBDRO CSCC(C)(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000898305707 620509002 /nfs/dbraw/zinc/50/90/02/620509002.db2.gz PCOSOUIXTKTIDB-SOFGYWHQSA-N 1 0 280.393 3.339 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C/C=C/Cl ZINC000898434269 620587141 /nfs/dbraw/zinc/58/71/41/620587141.db2.gz UNPUOBRFKJEBEK-VCFDLTMXSA-N 1 0 268.744 3.258 20 5 CGBDRO CC[NH+](CC)Cc1cc(-c2ccccc2[N+](=O)[O-])no1 ZINC000901396006 620874252 /nfs/dbraw/zinc/87/42/52/620874252.db2.gz OQSZPOWPKKZZFL-UHFFFAOYSA-N 1 0 275.308 3.092 20 5 CGBDRO CNc1ccc(C)cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000902278709 621240593 /nfs/dbraw/zinc/24/05/93/621240593.db2.gz PVMQMLZZVNUPEH-UHFFFAOYSA-N 1 0 299.374 3.277 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)CCSC)cc([N+](=O)[O-])c1 ZINC000903098452 621571727 /nfs/dbraw/zinc/57/17/27/621571727.db2.gz PDNZEKNISQTGPL-GHMZBOCLSA-N 1 0 298.408 3.396 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000903287850 621670958 /nfs/dbraw/zinc/67/09/58/621670958.db2.gz RGTLWKYMHWQNAL-TYNCELHUSA-N 1 0 278.352 3.203 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000903329647 621703708 /nfs/dbraw/zinc/70/37/08/621703708.db2.gz CAPDXQJAZHZXSV-NHYWBVRUSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1ccc(-c2cncc([C@@H]3CCC[NH2+]3)c2)cc1[N+](=O)[O-] ZINC000906172834 622166924 /nfs/dbraw/zinc/16/69/24/622166924.db2.gz MMBLRNQCKBBNRG-HNNXBMFYSA-N 1 0 283.331 3.390 20 5 CGBDRO Cc1ccc(-c2cnc([C@H]3CCCC[NH2+]3)nc2)cc1[N+](=O)[O-] ZINC000906171667 622166989 /nfs/dbraw/zinc/16/69/89/622166989.db2.gz CQKSMEXJQGQAOC-CQSZACIVSA-N 1 0 298.346 3.175 20 5 CGBDRO CCC[N@H+](CC)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000223236266 622857229 /nfs/dbraw/zinc/85/72/29/622857229.db2.gz GYIVMZYUYCYOBJ-UHFFFAOYSA-N 1 0 299.802 3.070 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000171951317 623205175 /nfs/dbraw/zinc/20/51/75/623205175.db2.gz IZGJFXIBVAWQDK-JTQLQIEISA-N 1 0 254.305 3.212 20 5 CGBDRO CC(C)CC[NH+](CCC(C)C)Cn1cc([N+](=O)[O-])cn1 ZINC000914567240 623830416 /nfs/dbraw/zinc/83/04/16/623830416.db2.gz KWQNUKIKHCKGCU-UHFFFAOYSA-N 1 0 282.388 3.143 20 5 CGBDRO CS[C@@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000921939703 625938916 /nfs/dbraw/zinc/93/89/16/625938916.db2.gz FASILEKSFVFJGY-UKRRQHHQSA-N 1 0 294.420 3.401 20 5 CGBDRO CCC[C@H](O)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000922819737 626051695 /nfs/dbraw/zinc/05/16/95/626051695.db2.gz CSJHJIFBBCVUBF-DDKJEQMHSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000922834992 626053299 /nfs/dbraw/zinc/05/32/99/626053299.db2.gz XFQLZSURLUUDSA-ZWNOBZJWSA-N 1 0 280.393 3.277 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000754516786 626573787 /nfs/dbraw/zinc/57/37/87/626573787.db2.gz RHEMBWJTPLGMPC-JSGCOSHPSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)(C)OCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000757168143 626758640 /nfs/dbraw/zinc/75/86/40/626758640.db2.gz WOORLXYLMVIANT-UHFFFAOYSA-N 1 0 292.379 3.158 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000839659733 626771942 /nfs/dbraw/zinc/77/19/42/626771942.db2.gz HEHZVFWSJXZJQZ-SNVBAGLBSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761511742 627047268 /nfs/dbraw/zinc/04/72/68/627047268.db2.gz OWNKKSAVVOMNAR-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000764485777 627209244 /nfs/dbraw/zinc/20/92/44/627209244.db2.gz ODDSTHBKOZCGAU-NSHDSACASA-N 1 0 280.755 3.480 20 5 CGBDRO CCN(Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC000768301589 627472999 /nfs/dbraw/zinc/47/29/99/627472999.db2.gz NAKFPONGFFTTPC-UHFFFAOYSA-N 1 0 299.168 3.342 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)c1ccc[nH]1 ZINC000773125219 627859851 /nfs/dbraw/zinc/85/98/51/627859851.db2.gz YPJQGRUBTZGAEN-GHMZBOCLSA-N 1 0 259.309 3.335 20 5 CGBDRO CCCCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000776023744 628158790 /nfs/dbraw/zinc/15/87/90/628158790.db2.gz OPVXISCMDJHDNT-CYBMUJFWSA-N 1 0 296.415 3.376 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H]2c2ccccc2)cc1 ZINC000776592520 628221736 /nfs/dbraw/zinc/22/17/36/628221736.db2.gz PDFVFLDWWUFJBL-IAGOWNOFSA-N 1 0 298.342 3.075 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCC=CO2)cccc1[N+](=O)[O-] ZINC000783309453 628702522 /nfs/dbraw/zinc/70/25/22/628702522.db2.gz JEOZCUFWUNJREV-QWHCGFSZSA-N 1 0 276.336 3.247 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608402 629069033 /nfs/dbraw/zinc/06/90/33/629069033.db2.gz NVWGQUICQJDCCI-GHMZBOCLSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652176 629070905 /nfs/dbraw/zinc/07/09/05/629070905.db2.gz NGDNLAMQGHQEFW-NQBHXWOUSA-N 1 0 277.368 3.406 20 5 CGBDRO CC(C)CSCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788683873 629072685 /nfs/dbraw/zinc/07/26/85/629072685.db2.gz ASFJZCRRKIIPPV-LLVKDONJSA-N 1 0 297.424 3.217 20 5 CGBDRO CC(C)Cc1ccc([C@@H]([NH2+]CC[N+](=O)[O-])C(C)C)cc1 ZINC000791052442 629252781 /nfs/dbraw/zinc/25/27/81/629252781.db2.gz NZNLBVDWPVIOQO-INIZCTEOSA-N 1 0 278.396 3.449 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC2(CCCC2)C1 ZINC000797519337 629956803 /nfs/dbraw/zinc/95/68/03/629956803.db2.gz ICXOAZHIFNPRFT-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO C[NH+](C)[C@@H](CNc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000804432026 630526860 /nfs/dbraw/zinc/52/68/60/630526860.db2.gz NQSLNAPERXHYCA-ZDUSSCGKSA-N 1 0 283.759 3.000 20 5 CGBDRO CC(C)C(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000808711349 630668930 /nfs/dbraw/zinc/66/89/30/630668930.db2.gz CTKOMDMXZXARDF-UHFFFAOYSA-N 1 0 292.379 3.420 20 5 CGBDRO CCCC[C@@H](C)[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000810125023 630840410 /nfs/dbraw/zinc/84/04/10/630840410.db2.gz MLHUOUJJTCQBKN-IUODEOHRSA-N 1 0 280.368 3.139 20 5 CGBDRO CO[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000812773173 631306098 /nfs/dbraw/zinc/30/60/98/631306098.db2.gz QYURTLVSRNIWDS-CQSZACIVSA-N 1 0 298.770 3.153 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588807 631802544 /nfs/dbraw/zinc/80/25/44/631802544.db2.gz ZMFIOGZQBWJHCX-WDMOLILDSA-N 1 0 277.368 3.406 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H](C)[C@H]1C ZINC000816646219 632030964 /nfs/dbraw/zinc/03/09/64/632030964.db2.gz AEEICMSNFGJFFA-HGIZFUKPSA-N 1 0 260.337 3.338 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819255381 632413091 /nfs/dbraw/zinc/41/30/91/632413091.db2.gz ZQSTUXQEZZEKKS-XPKDYRNWSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000865787704 632891787 /nfs/dbraw/zinc/89/17/87/632891787.db2.gz RGYUHUIYIZOIRA-HUUCEWRRSA-N 1 0 292.379 3.198 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866309352 633076189 /nfs/dbraw/zinc/07/61/89/633076189.db2.gz OINOOFCOTYYULO-UWVGGRQHSA-N 1 0 286.372 3.006 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC[C@H](C)F ZINC000866363801 633102942 /nfs/dbraw/zinc/10/29/42/633102942.db2.gz OPQRXFBXXGTJTF-VHSXEESVSA-N 1 0 272.295 3.003 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000866372664 633108521 /nfs/dbraw/zinc/10/85/21/633108521.db2.gz IRWVXIJWIJFQLW-NRUUGDAUSA-N 1 0 298.383 3.149 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866481162 633153416 /nfs/dbraw/zinc/15/34/16/633153416.db2.gz OZLUCQSDWHXQIO-ZYHUDNBSSA-N 1 0 295.408 3.113 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866505981 633165871 /nfs/dbraw/zinc/16/58/71/633165871.db2.gz YJSILASRIMKINE-NSHDSACASA-N 1 0 298.358 3.070 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000824462442 633247534 /nfs/dbraw/zinc/24/75/34/633247534.db2.gz CKKCCUOIPMAFQU-LNSITVRQSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CC1 ZINC000122989996 633538474 /nfs/dbraw/zinc/53/84/74/633538474.db2.gz YTFQWJOTJIZZHX-UHFFFAOYSA-N 1 0 299.168 3.342 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000872016106 633936745 /nfs/dbraw/zinc/93/67/45/633936745.db2.gz FAFLFERVOZQOSD-JQWIXIFHSA-N 1 0 296.392 3.146 20 5 CGBDRO C[C@@H]([NH2+]CCCOCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017700 633938435 /nfs/dbraw/zinc/93/84/35/633938435.db2.gz DNZYPIKTTZISSE-LLVKDONJSA-N 1 0 296.342 3.201 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872026391 633945544 /nfs/dbraw/zinc/94/55/44/633945544.db2.gz ADMLAPVPXRIMLO-NOLJZWGESA-N 1 0 292.379 3.451 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033615 633951977 /nfs/dbraw/zinc/95/19/77/633951977.db2.gz CPTOWEOYWVGVEN-IINYFYTJSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCS[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081301 634005717 /nfs/dbraw/zinc/00/57/17/634005717.db2.gz GHBVXBXQYSUZGY-IQJOONFLSA-N 1 0 284.356 3.279 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872104790 634025054 /nfs/dbraw/zinc/02/50/54/634025054.db2.gz PHRKCFQAUYOOCX-LLVKDONJSA-N 1 0 298.358 3.447 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000872129494 634050364 /nfs/dbraw/zinc/05/03/64/634050364.db2.gz DKNWDOJFBPSGLL-LALPHHSUSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872129577 634051123 /nfs/dbraw/zinc/05/11/23/634051123.db2.gz MAVVGVZJLZZJBI-XJKCOSOUSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832566114 634074470 /nfs/dbraw/zinc/07/44/70/634074470.db2.gz ZMTALRZBBQZZMI-SNVBAGLBSA-N 1 0 266.316 3.497 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873101033 634246148 /nfs/dbraw/zinc/24/61/48/634246148.db2.gz MAQHSRANRRHFAN-XJKSGUPXSA-N 1 0 292.379 3.116 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000873132176 634254202 /nfs/dbraw/zinc/25/42/02/634254202.db2.gz KHPWKJUAKSBQNJ-UONOGXRCSA-N 1 0 292.379 3.259 20 5 CGBDRO CC1(C)CO[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000873155039 634262969 /nfs/dbraw/zinc/26/29/69/634262969.db2.gz DPQPYFIHQYEYJK-DYLGSBMWSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@@H]([NH2+]CCC1CC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834907884 634283033 /nfs/dbraw/zinc/28/30/33/634283033.db2.gz FMGRLTIBTSSPHU-SECBINFHSA-N 1 0 299.321 3.263 20 5 CGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000873214653 634287780 /nfs/dbraw/zinc/28/77/80/634287780.db2.gz CQUIKQQIJLIWHE-JKSUJKDBSA-N 1 0 283.331 3.022 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+](C)Cc1cccn1C ZINC000876759579 634893831 /nfs/dbraw/zinc/89/38/31/634893831.db2.gz NTCOPQDVLHYHGB-UHFFFAOYSA-N 1 0 287.363 3.182 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000879962179 635890301 /nfs/dbraw/zinc/89/03/01/635890301.db2.gz OASZRTKSADYKIT-OLZOCXBDSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccc([N+](=O)[O-])cc1 ZINC000880508800 636012164 /nfs/dbraw/zinc/01/21/64/636012164.db2.gz PIZYLYNJLWXOBE-MAZHCROVSA-N 1 0 290.363 3.347 20 5 CGBDRO C=C/C=C\CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883269178 636639471 /nfs/dbraw/zinc/63/94/71/636639471.db2.gz AXFVOEGRSIEBLQ-RXNFCKPNSA-N 1 0 278.327 3.387 20 5 CGBDRO C[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000133827952 636981497 /nfs/dbraw/zinc/98/14/97/636981497.db2.gz ARGQURAWQBPRTH-SECBINFHSA-N 1 0 268.744 3.384 20 5 CGBDRO C[C@@H]1CCC[C@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000885956320 637330965 /nfs/dbraw/zinc/33/09/65/637330965.db2.gz NDIPHEYIHKWLTL-YPMHNXCESA-N 1 0 263.341 3.000 20 5 CGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886016793 637365904 /nfs/dbraw/zinc/36/59/04/637365904.db2.gz LXAYGYGKXSASQK-JSGCOSHPSA-N 1 0 277.368 3.390 20 5 CGBDRO CCC1CCC([N@H+](C)Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886030431 637373257 /nfs/dbraw/zinc/37/32/57/637373257.db2.gz KLAQXGFAQGNYOH-UHFFFAOYSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@H]1CCCC[C@@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886241447 637468386 /nfs/dbraw/zinc/46/83/86/637468386.db2.gz YMYSSJNPTPRREX-SMDDNHRTSA-N 1 0 263.341 3.048 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000853411407 637837984 /nfs/dbraw/zinc/83/79/84/637837984.db2.gz LHXPVFWFGXJNST-MNOVXSKESA-N 1 0 283.397 3.249 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCCOC2)c1 ZINC000858208083 638657201 /nfs/dbraw/zinc/65/72/01/638657201.db2.gz ZPDOYRIDFGIQIL-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927027136 638833687 /nfs/dbraw/zinc/83/36/87/638833687.db2.gz HKTXCBFCKPJUFK-JFGNBEQYSA-N 1 0 295.408 3.112 20 5 CGBDRO C[C@@H]([NH2+]CCCc1cccnc1)c1ccc([N+](=O)[O-])cc1 ZINC000932177892 639287874 /nfs/dbraw/zinc/28/78/74/639287874.db2.gz FWDONUAKZJALAY-CYBMUJFWSA-N 1 0 285.347 3.273 20 5 CGBDRO CCc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1 ZINC000932177930 639288291 /nfs/dbraw/zinc/28/82/91/639288291.db2.gz GKUSLWYDDNNRNI-GFCCVEGCSA-N 1 0 285.347 3.403 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCSC[C@H]1C1CC1 ZINC000933919121 639507722 /nfs/dbraw/zinc/50/77/22/639507722.db2.gz YUHSDOYZKILXBU-HNNXBMFYSA-N 1 0 292.404 3.312 20 5 CGBDRO CCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000094774467 640802848 /nfs/dbraw/zinc/80/28/48/640802848.db2.gz TZGAEDVBBUTDAA-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774745 640802897 /nfs/dbraw/zinc/80/28/97/640802897.db2.gz JPUOODSPAPTRSP-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO C[NH+](C)CCSCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000095019885 640807994 /nfs/dbraw/zinc/80/79/94/640807994.db2.gz LUKGXCOMMGHYKO-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](F)C1 ZINC001254532604 806444228 /nfs/dbraw/zinc/44/42/28/806444228.db2.gz PJRWNULALVMEMF-UHTWSYAYSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1C ZINC001254531696 806445107 /nfs/dbraw/zinc/44/51/07/806445107.db2.gz HCNXELXODADCEL-SGMGOOAPSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2cccnc21 ZINC001254537845 806446493 /nfs/dbraw/zinc/44/64/93/806446493.db2.gz IGMROJHOLOMBHJ-IUODEOHRSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1ccncc1 ZINC001254548262 806447388 /nfs/dbraw/zinc/44/73/88/806447388.db2.gz MJFTXFLEBLVFHD-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO CCC[N@H+](CC)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550702 806447552 /nfs/dbraw/zinc/44/75/52/806447552.db2.gz PEBWOVWJMLWDSM-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1cccnc1 ZINC001254557761 806450091 /nfs/dbraw/zinc/45/00/91/806450091.db2.gz AFYZQTLDMFWBQJ-AWEZNQCLSA-N 1 0 299.374 3.095 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC(F)(F)C1)C2 ZINC001254566051 806450841 /nfs/dbraw/zinc/45/08/41/806450841.db2.gz HCCFVIVFGYKFAE-GXFFZTMASA-N 1 0 296.317 3.087 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1C ZINC001254566010 806451580 /nfs/dbraw/zinc/45/15/80/806451580.db2.gz GVNZVYNPRMMNDD-KRWDZBQOSA-N 1 0 296.370 3.469 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254567385 806452517 /nfs/dbraw/zinc/45/25/17/806452517.db2.gz NDWYOAXDSYPSJA-MRXNPFEDSA-N 1 0 282.343 3.160 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC(F)(F)C1)C2 ZINC001254566053 806453253 /nfs/dbraw/zinc/45/32/53/806453253.db2.gz HCCFVIVFGYKFAE-MFKMUULPSA-N 1 0 296.317 3.087 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576794 806454849 /nfs/dbraw/zinc/45/48/49/806454849.db2.gz ZLZMIHPLXQUQKH-IUODEOHRSA-N 1 0 297.358 3.116 20 5 CGBDRO C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](C)C1 ZINC001254603020 806459767 /nfs/dbraw/zinc/45/97/67/806459767.db2.gz KLQDNMARJDQJTQ-HSMVNMDESA-N 1 0 274.364 3.182 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](Nc2cc3cccnc3c3ncccc23)C1 ZINC001162402475 806577823 /nfs/dbraw/zinc/57/78/23/806577823.db2.gz SGDCWTCRZXBWMM-UONOGXRCSA-N 1 0 292.386 3.465 20 5 CGBDRO CN1CCc2c(NC(=[NH2+])C(C)(C)C)ccc([N+](=O)[O-])c2C1 ZINC001162666001 806645196 /nfs/dbraw/zinc/64/51/96/806645196.db2.gz VHBZKTNRIZICAX-UHFFFAOYSA-N 1 0 290.367 3.018 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000037562703 798868723 /nfs/dbraw/zinc/86/87/23/798868723.db2.gz FIUIBDNQNORRFI-KOLCDFICSA-N 1 0 254.355 3.325 20 5 CGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001163571107 806784889 /nfs/dbraw/zinc/78/48/89/806784889.db2.gz FYBGXKYIOXRGAC-STQMWFEESA-N 1 0 297.786 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+]C1(C2CC2)CCC1 ZINC000717854247 800206027 /nfs/dbraw/zinc/20/60/27/800206027.db2.gz JTDZIQXHKIMBEB-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000718673242 800219734 /nfs/dbraw/zinc/21/97/34/800219734.db2.gz YEFSVMWJNMUXDG-LBPRGKRZSA-N 1 0 280.368 3.308 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000720244711 800254860 /nfs/dbraw/zinc/25/48/60/800254860.db2.gz AIGMHMSYHUDLGP-GHMZBOCLSA-N 1 0 266.341 3.059 20 5 CGBDRO CCO[C@@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000721194056 800280459 /nfs/dbraw/zinc/28/04/59/800280459.db2.gz NGRWDTNUORDQQH-DZGCQCFKSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1ccc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116190460 802308811 /nfs/dbraw/zinc/30/88/11/802308811.db2.gz NQAMZXGLPIFUNC-TZMCWYRMSA-N 1 0 277.368 3.188 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CN(c1cc[nH+]cc1C1CC1)CC2 ZINC001119010547 802627783 /nfs/dbraw/zinc/62/77/83/802627783.db2.gz LBNVHCATBRDJLL-UHFFFAOYSA-N 1 0 295.342 3.430 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001119375989 802656171 /nfs/dbraw/zinc/65/61/71/802656171.db2.gz VSXJFMIYEBHROY-OLZOCXBDSA-N 1 0 275.352 3.002 20 5 CGBDRO C[NH2+]CCNc1nc2ccccc2c2ccccc21 ZINC001167726870 807234449 /nfs/dbraw/zinc/23/44/49/807234449.db2.gz PBFXCOVXOLWSJU-UHFFFAOYSA-N 1 0 251.333 3.019 20 5 CGBDRO [NH3+]CCc1ccn(-c2nc3ccccc3c3ccccc32)n1 ZINC001167732239 807235693 /nfs/dbraw/zinc/23/56/93/807235693.db2.gz STEWBNDAOFFFIN-UHFFFAOYSA-N 1 0 288.354 3.075 20 5 CGBDRO CCC1(CNc2ccccc2C[N+](C)(C)CC)COC1 ZINC001168332532 807386972 /nfs/dbraw/zinc/38/69/72/807386972.db2.gz QTRKYELEOSKHLY-UHFFFAOYSA-N 1 0 277.432 3.121 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001168960176 807541465 /nfs/dbraw/zinc/54/14/65/807541465.db2.gz DLXLTPOAFYJIAQ-AAEUAGOBSA-N 1 0 284.306 3.159 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168956209 807541589 /nfs/dbraw/zinc/54/15/89/807541589.db2.gz AHMLDAOKADBEEE-GZBFAFLISA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001168966523 807542650 /nfs/dbraw/zinc/54/26/50/807542650.db2.gz IYXNMQFPOPHJJR-SKDRFNHKSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C1 ZINC001168967714 807543703 /nfs/dbraw/zinc/54/37/03/807543703.db2.gz SPNNBAGOLCDEAR-CYIKRSNASA-N 1 0 292.423 3.238 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCc2coc3ccccc23)C1 ZINC001168977707 807544764 /nfs/dbraw/zinc/54/47/64/807544764.db2.gz LKHPEEGOUZJVBY-GXTWGEPZSA-N 1 0 288.347 3.010 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2cccc(Cl)c2)C1 ZINC001168976255 807545287 /nfs/dbraw/zinc/54/52/87/807545287.db2.gz CADRXPWMDBRGAX-SDJAHQOYSA-N 1 0 294.782 3.231 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C1 ZINC001168992054 807547841 /nfs/dbraw/zinc/54/78/41/807547841.db2.gz JETUINTYSFIZRN-IUODEOHRSA-N 1 0 292.354 3.240 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168988379 807548172 /nfs/dbraw/zinc/54/81/72/807548172.db2.gz RPHKBEQHDZDWIC-ITDIGPHOSA-N 1 0 298.333 3.451 20 5 CGBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990850 807548269 /nfs/dbraw/zinc/54/82/69/807548269.db2.gz FAPTVJXXQNCNSD-OBJOEFQTSA-N 1 0 280.343 3.230 20 5 CGBDRO Cc1cccc(C2([NH2+][C@H]3CC[C@H](C[N+](=O)[O-])C3)CCC2)c1 ZINC001168998289 807549490 /nfs/dbraw/zinc/54/94/90/807549490.db2.gz KYHUCQWWLALASX-HOCLYGCPSA-N 1 0 288.391 3.409 20 5 CGBDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC1CCC1 ZINC001168996514 807549497 /nfs/dbraw/zinc/54/94/97/807549497.db2.gz VMCCSUZJRSMMIP-KGLIPLIRSA-N 1 0 268.401 3.238 20 5 CGBDRO CCCCC1CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169010733 807551805 /nfs/dbraw/zinc/55/18/05/807551805.db2.gz FXRAUOLAEXQRAK-HUUCEWRRSA-N 1 0 268.401 3.334 20 5 CGBDRO CCC[C@@H]1CCCC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169030093 807555916 /nfs/dbraw/zinc/55/59/16/807555916.db2.gz WCMAZWKAMHPZOW-BFHYXJOUSA-N 1 0 254.374 3.086 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040203 807557267 /nfs/dbraw/zinc/55/72/67/807557267.db2.gz YSCSFNLCYFGYDG-DZGCQCFKSA-N 1 0 280.343 3.093 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCCCCCCC2)C1 ZINC001169047903 807558533 /nfs/dbraw/zinc/55/85/33/807558533.db2.gz SKSBMLOGVMMALY-UONOGXRCSA-N 1 0 254.374 3.088 20 5 CGBDRO Cc1noc(C[NH2+][C@H](C)C2CCCCCC2)c1[N+](=O)[O-] ZINC001169137170 807587265 /nfs/dbraw/zinc/58/72/65/807587265.db2.gz QSTJWVKJRJEHMX-SNVBAGLBSA-N 1 0 281.356 3.340 20 5 CGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC001169285468 807623949 /nfs/dbraw/zinc/62/39/49/807623949.db2.gz WIUVABYCHIBBIH-JSGCOSHPSA-N 1 0 294.399 3.000 20 5 CGBDRO Cc1c(NC(C)(C)CC[NH+](C)C)cc(F)cc1[N+](=O)[O-] ZINC001169717791 807696247 /nfs/dbraw/zinc/69/62/47/807696247.db2.gz LFSNFGXDNXVDBX-UHFFFAOYSA-N 1 0 283.347 3.185 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304869 807821950 /nfs/dbraw/zinc/82/19/50/807821950.db2.gz GZJRDFQQWBUBCC-VXGBXAGGSA-N 1 0 280.368 3.313 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC001170329782 807826143 /nfs/dbraw/zinc/82/61/43/807826143.db2.gz ULRDJZBZEVTIKP-GFCCVEGCSA-N 1 0 290.363 3.163 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329404 807826516 /nfs/dbraw/zinc/82/65/16/807826516.db2.gz QDKVEXZUDOSMSC-RYUDHWBXSA-N 1 0 278.352 3.019 20 5 CGBDRO COc1ccc(C[C@H](C)[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1 ZINC001170329549 807826630 /nfs/dbraw/zinc/82/66/30/807826630.db2.gz RCBUIKQICFRHFZ-ZDUSSCGKSA-N 1 0 292.379 3.266 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC001262730555 807902429 /nfs/dbraw/zinc/90/24/29/807902429.db2.gz ZTYYUERACFYAIX-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO CC(C)(C)c1ccc(NCC(C)(C)[NH3+])c([N+](=O)[O-])c1 ZINC001171192368 808005657 /nfs/dbraw/zinc/00/56/57/808005657.db2.gz DNOUOSQDUGZOAB-UHFFFAOYSA-N 1 0 265.357 3.042 20 5 CGBDRO CC1CC([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172895210 808475016 /nfs/dbraw/zinc/47/50/16/808475016.db2.gz AWELMZPRHYSYGU-WPBUFGDCSA-N 1 0 274.364 3.230 20 5 CGBDRO C[N@H+](CC1CC1)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909644 808475831 /nfs/dbraw/zinc/47/58/31/808475831.db2.gz UMYDYFFSZVPMES-OAHLLOKOSA-N 1 0 274.364 3.184 20 5 CGBDRO CC[NH+](CC)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172908455 808476332 /nfs/dbraw/zinc/47/63/32/808476332.db2.gz MRALCBYDMXSWOV-AWEZNQCLSA-N 1 0 262.353 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCCC13CC3)CC2 ZINC001172907529 808476383 /nfs/dbraw/zinc/47/63/83/808476383.db2.gz GWYPANYWLOBHBP-HNNXBMFYSA-N 1 0 286.375 3.471 20 5 CGBDRO CC[NH+](CC)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183957 808533927 /nfs/dbraw/zinc/53/39/27/808533927.db2.gz KLBYRUJLRUGFQG-JTQLQIEISA-N 1 0 284.331 3.015 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1ccccn1 ZINC001173220320 808540508 /nfs/dbraw/zinc/54/05/08/808540508.db2.gz YGXSUVWLDVBDJX-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CCCC1 ZINC001173226379 808541204 /nfs/dbraw/zinc/54/12/04/808541204.db2.gz JGGNXXIUTGDOKF-GFCCVEGCSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CC1CCC1 ZINC001173227039 808541485 /nfs/dbraw/zinc/54/14/85/808541485.db2.gz MJSHDMOJGCYTPZ-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1cc2c(cn1)CN([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C2 ZINC001173232729 808542640 /nfs/dbraw/zinc/54/26/40/808542640.db2.gz HIHTUZDPHIWMSM-ZDUSSCGKSA-N 1 0 297.358 3.245 20 5 CGBDRO CCC[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001176777285 809761000 /nfs/dbraw/zinc/76/10/00/809761000.db2.gz JHPCFBZELAIHMK-CQSZACIVSA-N 1 0 262.353 3.402 20 5 CGBDRO CCOCC(C)(C)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001178836053 809890446 /nfs/dbraw/zinc/89/04/46/809890446.db2.gz RTMBGILYCRWBEH-UHFFFAOYSA-N 1 0 294.395 3.364 20 5 CGBDRO C[NH2+]C1(CNc2ccc(C)cc2[N+](=O)[O-])CCCCC1 ZINC001187430756 810399790 /nfs/dbraw/zinc/39/97/90/810399790.db2.gz OMMDCYMMXPPFIC-UHFFFAOYSA-N 1 0 277.368 3.237 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC001197658194 811442084 /nfs/dbraw/zinc/44/20/84/811442084.db2.gz DVPNUESGCOFKHF-SWLSCSKDSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H](C[NH2+]Cc1ncccc1F)c1ccccc1[N+](=O)[O-] ZINC001207687736 813636114 /nfs/dbraw/zinc/63/61/14/813636114.db2.gz CRQIUCLEOQGTAB-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CCCC[NH2+]C1 ZINC001217972189 816025155 /nfs/dbraw/zinc/02/51/55/816025155.db2.gz QGKJRYHQRDJMTQ-CYBMUJFWSA-N 1 0 286.331 3.269 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001217984803 816032716 /nfs/dbraw/zinc/03/27/16/816032716.db2.gz APAVNGNXEIYUTN-NOZJJQNGSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001217983761 816032724 /nfs/dbraw/zinc/03/27/24/816032724.db2.gz CLBXYCKGQQRPQL-ONGXEEELSA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1c(O[C@H]2CCC[NH2+]CC2)ccc2ccccc21 ZINC001217996971 816042579 /nfs/dbraw/zinc/04/25/79/816042579.db2.gz OIGFTZPGDPHERC-ZDUSSCGKSA-N 1 0 286.331 3.269 20 5 CGBDRO F[C@H]1C[NH2+]C[C@H]1Oc1cccc2ccc3cccnc3c21 ZINC001217997514 816042744 /nfs/dbraw/zinc/04/27/44/816042744.db2.gz CGENKGASSLBCAF-DZGCQCFKSA-N 1 0 282.318 3.077 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[NH2+]C[C@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001217996854 816042918 /nfs/dbraw/zinc/04/29/18/816042918.db2.gz WHFSUKYMHYQPEZ-BXUZGUMPSA-N 1 0 292.379 3.287 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001218027019 816061910 /nfs/dbraw/zinc/06/19/10/816061910.db2.gz LQKFMSZOWKSLTH-GXSJLCMTSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001218028884 816063297 /nfs/dbraw/zinc/06/32/97/816063297.db2.gz YBAKGUKYJSEEKO-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C[NH2+]1 ZINC001218045028 816072109 /nfs/dbraw/zinc/07/21/09/816072109.db2.gz IJWIPVAPCSEANB-YPMHNXCESA-N 1 0 295.338 3.075 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218066599 816084829 /nfs/dbraw/zinc/08/48/29/816084829.db2.gz MGEOJKZQDLQDHF-CABCVRRESA-N 1 0 296.345 3.467 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218080523 816088626 /nfs/dbraw/zinc/08/86/26/816088626.db2.gz MJNKFXJEOJKXKX-ZDUSSCGKSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218099150 816098576 /nfs/dbraw/zinc/09/85/76/816098576.db2.gz ZVSPLKBSBMBRRG-XJKSGUPXSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218104913 816100321 /nfs/dbraw/zinc/10/03/21/816100321.db2.gz UKGQDMIIMSBSGS-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO c1cnc2c(c1)ccc1cccc(O[C@@H]3C=CC[NH2+]C3)c12 ZINC001218330905 816170237 /nfs/dbraw/zinc/17/02/37/816170237.db2.gz KDUSYOOUOVBJRS-OAHLLOKOSA-N 1 0 276.339 3.295 20 5 CGBDRO C[C@H](Oc1cccc2c1CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218344250 816172871 /nfs/dbraw/zinc/17/28/71/816172871.db2.gz TZCSUVRHOVNICH-LBPRGKRZSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C[NH2+]1 ZINC001218391721 816187273 /nfs/dbraw/zinc/18/72/73/816187273.db2.gz GKYXYULCFUFLPX-NWDGAFQWSA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218411794 816201742 /nfs/dbraw/zinc/20/17/42/816201742.db2.gz BEQZHECQXRLMBS-LRDDRELGSA-N 1 0 293.370 3.160 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218473831 816232020 /nfs/dbraw/zinc/23/20/20/816232020.db2.gz DVQFXBINHVVEGU-JTQLQIEISA-N 1 0 298.770 3.466 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]C(C)(C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218476158 816232519 /nfs/dbraw/zinc/23/25/19/816232519.db2.gz URIQZZPEHADHCP-CYBMUJFWSA-N 1 0 292.379 3.429 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)c2ccccc21 ZINC001218475037 816232724 /nfs/dbraw/zinc/23/27/24/816232724.db2.gz XSRGOMKMFKMUAI-JDSLSITLSA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1CO[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001223538166 816648134 /nfs/dbraw/zinc/64/81/34/816648134.db2.gz HVFGOQCMYCBAPC-HDJSIYSDSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)cc1Br ZINC001226026567 817253056 /nfs/dbraw/zinc/25/30/56/817253056.db2.gz NHMKJMSITITVJX-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)c2ccccc12 ZINC001227752427 817713230 /nfs/dbraw/zinc/71/32/30/817713230.db2.gz JMUSNPPPDSNEFF-ZDUSSCGKSA-N 1 0 274.384 3.322 20 5 CGBDRO CCCCOC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227914170 817751955 /nfs/dbraw/zinc/75/19/55/817751955.db2.gz WBUBPZJDOQMEJB-AWEZNQCLSA-N 1 0 294.415 3.117 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccnc1-c1ccccc1 ZINC001227976035 817769920 /nfs/dbraw/zinc/76/99/20/817769920.db2.gz QAVKRTULYSHMBR-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO CC[NH+]1CCC(Oc2c(C)cc(C)cc2[N+](=O)[O-])CC1 ZINC001228228565 817845027 /nfs/dbraw/zinc/84/50/27/817845027.db2.gz BASJUYUOEFVDNZ-UHFFFAOYSA-N 1 0 278.352 3.075 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2cccc3nc4ccccc4nc32)C1 ZINC001228522904 817927831 /nfs/dbraw/zinc/92/78/31/817927831.db2.gz QPJOOTIOLJDENS-CYBMUJFWSA-N 1 0 293.370 3.256 20 5 CGBDRO CCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(-c2cc[nH]n2)c1 ZINC001228684236 817972408 /nfs/dbraw/zinc/97/24/08/817972408.db2.gz IBTAEKLCANSROK-ZDUSSCGKSA-N 1 0 288.415 3.113 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc([N+](=O)[O-])c(Cl)c1)C2 ZINC001228757586 818000353 /nfs/dbraw/zinc/00/03/53/818000353.db2.gz VRUMCVIPYFJPTI-IAZYJMLFSA-N 1 0 296.754 3.252 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cc(F)ccc21 ZINC001234849517 818932997 /nfs/dbraw/zinc/93/29/97/818932997.db2.gz JXIRYTIYVWUCEV-LBPRGKRZSA-N 1 0 262.348 3.452 20 5 CGBDRO Cc1cccc(C(F)(F)F)c1O[C@@H](C)C[N+](C)(C)C ZINC001234961304 818967005 /nfs/dbraw/zinc/96/70/05/818967005.db2.gz JLLMFISHXCWYOQ-NSHDSACASA-N 1 0 276.322 3.487 20 5 CGBDRO C[C@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001346870464 936864772 /nfs/dbraw/zinc/86/47/72/936864772.db2.gz YBPTZOAMIOABJV-LUHBLDKBSA-N 1 0 297.305 3.015 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1nc2ccc(Cl)cc2s1 ZINC001228928870 927310346 /nfs/dbraw/zinc/31/03/46/927310346.db2.gz BZBBUPVGPOTAKQ-VIFPVBQESA-N 1 0 285.820 3.423 20 5 CGBDRO CC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])cc2C)CC1 ZINC001230723798 928073866 /nfs/dbraw/zinc/07/38/66/928073866.db2.gz OCLOWHGCTXVPBU-UHFFFAOYSA-N 1 0 278.352 3.075 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001458408437 937461677 /nfs/dbraw/zinc/46/16/77/937461677.db2.gz ZEHYCUPDNOLGEC-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC001459950418 937508031 /nfs/dbraw/zinc/50/80/31/937508031.db2.gz OGWTXXKVPALVBC-XJKSGUPXSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(=O)c1cc(Cl)c(C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001229363175 932137339 /nfs/dbraw/zinc/13/73/39/932137339.db2.gz XOYVPSXIADADLU-NSHDSACASA-N 1 0 284.807 3.325 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc2nccn21)c1ccccc1[N+](=O)[O-] ZINC001461732182 937594692 /nfs/dbraw/zinc/59/46/92/937594692.db2.gz UYBIEYFIGXIZIY-GFCCVEGCSA-N 1 0 296.330 3.093 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001230723332 932615054 /nfs/dbraw/zinc/61/50/54/932615054.db2.gz ISUFAIILHGJRSQ-HDJSIYSDSA-N 1 0 292.379 3.463 20 5 CGBDRO C[C@@H](CNc1c(F)cccc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC001306932372 932896855 /nfs/dbraw/zinc/89/68/55/932896855.db2.gz UHQRFTRVXJECJM-RYUDHWBXSA-N 1 0 295.358 3.409 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307150305 932921976 /nfs/dbraw/zinc/92/19/76/932921976.db2.gz WQVMYKRKGBLFKU-OLZOCXBDSA-N 1 0 297.786 3.389 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307510513 932963272 /nfs/dbraw/zinc/96/32/72/932963272.db2.gz GSMDFIMWFULPFJ-CYBMUJFWSA-N 1 0 280.368 3.342 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CC(C)(C)C1 ZINC001462511158 937646017 /nfs/dbraw/zinc/64/60/17/937646017.db2.gz IYTKKYALKMJHOH-KPKJPENVSA-N 1 0 260.337 3.340 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001307633946 932979047 /nfs/dbraw/zinc/97/90/47/932979047.db2.gz PPSCVQNCKPGNPX-XJKCOSOUSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CN(Cc1cccn1C1CC1)CC2 ZINC001324647595 934539027 /nfs/dbraw/zinc/53/90/27/934539027.db2.gz YSFBGTWNZKWIFL-UHFFFAOYSA-N 1 0 297.358 3.290 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C1C[C@@H]2[C@H](C1)C2(F)F ZINC001330767896 935320651 /nfs/dbraw/zinc/32/06/51/935320651.db2.gz UKXGZCBGCZJFQN-XCHWVRFTSA-N 1 0 294.301 3.241 20 5 CGBDRO C[C@@H](NC/C=C/C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276885 935456164 /nfs/dbraw/zinc/45/61/64/935456164.db2.gz IQZFTQQFQZZSKG-HMDXOVGESA-N 1 0 264.300 3.351 20 5 CGBDRO Cc1ncc(CN[C@H](C)c2c(F)cccc2[N+](=O)[O-])s1 ZINC001332275593 935456261 /nfs/dbraw/zinc/45/62/61/935456261.db2.gz AFBYJKLUNOXVKB-MRVPVSSYSA-N 1 0 295.339 3.350 20 5 CGBDRO COC/C(C)=C\C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001333905683 936075029 /nfs/dbraw/zinc/07/50/29/936075029.db2.gz VAJCZCPXYWMRIB-YLBKJLTLSA-N 1 0 278.352 3.147 20 5 CGBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335512232 936149990 /nfs/dbraw/zinc/14/99/90/936149990.db2.gz HDTAFPUXDFBTCL-NWANDNLSSA-N 1 0 292.379 3.043 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2CCC[C@H]12 ZINC001474392499 937857150 /nfs/dbraw/zinc/85/71/50/937857150.db2.gz UFSPEKWTTNAHFX-TUKIKUTGSA-N 1 0 290.363 3.272 20 5 CGBDRO Cc1cc(N[C@@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC001559109301 938220405 /nfs/dbraw/zinc/22/04/05/938220405.db2.gz OWQDLBRDEFYRRW-JTQLQIEISA-N 1 0 285.413 3.353 20 5 CGBDRO CC(C)C[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001559482801 938227422 /nfs/dbraw/zinc/22/74/22/938227422.db2.gz QBGMYVKRBLYEOV-CQSZACIVSA-N 1 0 291.395 3.151 20 5 CGBDRO Cc1c(C[N@@H+]2C[C@H]3CCCC[C@H]32)cccc1[N+](=O)[O-] ZINC001559970833 938240278 /nfs/dbraw/zinc/24/02/78/938240278.db2.gz LVZWYFYPIHASRI-UKRRQHHQSA-N 1 0 260.337 3.278 20 5 CGBDRO CC[C@@H](C)[C@@H](C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1)OC ZINC001560696874 938270843 /nfs/dbraw/zinc/27/08/43/938270843.db2.gz GAGXZIOVBSSWJL-MLGOLLRUSA-N 1 0 292.379 3.014 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C=CCC1 ZINC001560985786 938288174 /nfs/dbraw/zinc/28/81/74/938288174.db2.gz LKNARWBCVLZHSX-UONOGXRCSA-N 1 0 274.364 3.472 20 5 CGBDRO Cc1cc(NC[C@@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])s1 ZINC001559184436 960605029 /nfs/dbraw/zinc/60/50/29/960605029.db2.gz IBIFNPPPXRIZBV-LBPRGKRZSA-N 1 0 295.408 3.394 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OCCC1C[NH2+]C1 ZINC001580874607 962740137 /nfs/dbraw/zinc/74/01/37/962740137.db2.gz FFRCBQLQHFHKEP-UHFFFAOYSA-N 1 0 298.342 3.250 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000290020821 197565424 /nfs/dbraw/zinc/56/54/24/197565424.db2.gz CGWQKJBGFDMTDB-JTNHKYCSSA-N 1 0 266.341 3.059 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590647172 346858400 /nfs/dbraw/zinc/85/84/00/346858400.db2.gz DNGLGGDBRAEJKH-JHJVBQTASA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CC1(F)F ZINC000591255923 346912430 /nfs/dbraw/zinc/91/24/30/346912430.db2.gz HHUUZIKXONMRGK-IQJOONFLSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](N)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423250764 529611695 /nfs/dbraw/zinc/61/16/95/529611695.db2.gz VGLBWFUONNNFSY-SJORKVTESA-N 1 0 299.374 3.336 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCSC1)CCCC2 ZINC000591348355 346916942 /nfs/dbraw/zinc/91/69/42/346916942.db2.gz WSYBUXSCOFEKCD-IUODEOHRSA-N 1 0 292.404 3.457 20 5 CGBDRO CC[C@H]([NH2+]C[C@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178120371 529622424 /nfs/dbraw/zinc/62/24/24/529622424.db2.gz TUOWSNZAENYOHM-GJZGRUSLSA-N 1 0 280.368 3.043 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126430110 187239588 /nfs/dbraw/zinc/23/95/88/187239588.db2.gz WIDARTDARLMFGC-LLVKDONJSA-N 1 0 268.382 3.168 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC12CCCC2 ZINC000593038168 347029981 /nfs/dbraw/zinc/02/99/81/347029981.db2.gz IRRBBWPDEUWICY-UHFFFAOYSA-N 1 0 276.336 3.122 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+]C2(C3CCC3)CC2)c(F)c1 ZINC000593083707 347037760 /nfs/dbraw/zinc/03/77/60/347037760.db2.gz WLCUUKSMMBRAGH-UHFFFAOYSA-N 1 0 282.290 3.295 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000042977253 344991736 /nfs/dbraw/zinc/99/17/36/344991736.db2.gz KPVJDODLHUQANR-UHFFFAOYSA-N 1 0 274.295 3.366 20 5 CGBDRO CC[NH+]1CCC(CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044416146 345010275 /nfs/dbraw/zinc/01/02/75/345010275.db2.gz WQXLURWGIBHTCE-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO CC(C)[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058670495 345199726 /nfs/dbraw/zinc/19/97/26/345199726.db2.gz ONYSIHMKDQQGQT-OAHLLOKOSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCS1 ZINC000076073460 345532391 /nfs/dbraw/zinc/53/23/91/345532391.db2.gz PNLKKLVQLZINTM-RYUDHWBXSA-N 1 0 280.393 3.483 20 5 CGBDRO CC(C)[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000083133995 345724388 /nfs/dbraw/zinc/72/43/88/345724388.db2.gz VPQJCENOFSANKL-UHFFFAOYSA-N 1 0 275.308 3.109 20 5 CGBDRO CC(C)[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000091372564 345812816 /nfs/dbraw/zinc/81/28/16/345812816.db2.gz ICGRLQFCMLYSBA-INIZCTEOSA-N 1 0 285.347 3.477 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000090590105 345791193 /nfs/dbraw/zinc/79/11/93/345791193.db2.gz HZDVXENUFQTWSJ-WCQYABFASA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000093503399 345882087 /nfs/dbraw/zinc/88/20/87/345882087.db2.gz PTBWKOHEBJUOFS-MVTQWGDUSA-N 1 0 260.337 3.196 20 5 CGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127612919 187320603 /nfs/dbraw/zinc/32/06/03/187320603.db2.gz SRLRAYPHDHFMGK-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000300420467 346437816 /nfs/dbraw/zinc/43/78/16/346437816.db2.gz KHMBFPNWPTXIOW-KWBADKCTSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[NH+]1CCC(Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000314227855 346481259 /nfs/dbraw/zinc/48/12/59/346481259.db2.gz XQUWKTCBCLVBFT-UHFFFAOYSA-N 1 0 299.321 3.429 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC23CCCC3)cc1[N+](=O)[O-] ZINC000593646042 347098487 /nfs/dbraw/zinc/09/84/87/347098487.db2.gz REIFXXKGTSXVQL-UHFFFAOYSA-N 1 0 260.337 3.422 20 5 CGBDRO [NH3+][C@H]1CC[C@H](Nc2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000322088837 346489657 /nfs/dbraw/zinc/48/96/57/346489657.db2.gz HAQWVLKUOSERCB-MGCOHNPYSA-N 1 0 285.294 3.214 20 5 CGBDRO CC[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000325075021 346491200 /nfs/dbraw/zinc/49/12/00/346491200.db2.gz DIIQSAOKCWWWAX-OAHLLOKOSA-N 1 0 278.352 3.142 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c(F)c1 ZINC000403546685 346597121 /nfs/dbraw/zinc/59/71/21/346597121.db2.gz RMZSXXZUNSRIDX-NTZNESFSSA-N 1 0 278.327 3.260 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589608923 346802524 /nfs/dbraw/zinc/80/25/24/346802524.db2.gz PAEYXQCXTDXPAQ-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000594042201 347143211 /nfs/dbraw/zinc/14/32/11/347143211.db2.gz ICEJATMGXOFKPJ-CVEARBPZSA-N 1 0 292.379 3.075 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594601942 347200084 /nfs/dbraw/zinc/20/00/84/347200084.db2.gz PWXOVTMPYACNHR-CMPLNLGQSA-N 1 0 281.381 3.085 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594522632 347188881 /nfs/dbraw/zinc/18/88/81/347188881.db2.gz LYUAPNIDPADKTM-TZMCWYRMSA-N 1 0 260.337 3.360 20 5 CGBDRO CC1(C)C[C@]1(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594995228 347250966 /nfs/dbraw/zinc/25/09/66/347250966.db2.gz HBRHBDAXHFKHLG-LYASGUKUSA-N 1 0 260.337 3.386 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000594974702 347246305 /nfs/dbraw/zinc/24/63/05/347246305.db2.gz FZCPTRULDKFDKM-SGMGOOAPSA-N 1 0 260.337 3.121 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000594974841 347246354 /nfs/dbraw/zinc/24/63/54/347246354.db2.gz KIOKWVLCPBJOOJ-MELADBBJSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)c1 ZINC000594978935 347247612 /nfs/dbraw/zinc/24/76/12/347247612.db2.gz DCJJPQGKENDBCU-MRXNPFEDSA-N 1 0 284.315 3.078 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302045 347289468 /nfs/dbraw/zinc/28/94/68/347289468.db2.gz IQEFJHKGCHIIRN-MWLCHTKSSA-N 1 0 281.356 3.290 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000595327977 347292438 /nfs/dbraw/zinc/29/24/38/347292438.db2.gz SWATYHCNEJFCJZ-BXUZGUMPSA-N 1 0 278.327 3.498 20 5 CGBDRO C[C@H]([N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-])C1(C)CC1 ZINC000595337897 347294001 /nfs/dbraw/zinc/29/40/01/347294001.db2.gz CVOQPXSZMZZUNW-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005307 347254446 /nfs/dbraw/zinc/25/44/46/347254446.db2.gz BVOJSLFAPJQNIH-MNOVXSKESA-N 1 0 266.341 3.443 20 5 CGBDRO Cc1nocc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000339285430 215068260 /nfs/dbraw/zinc/06/82/60/215068260.db2.gz VHAIGZBVRBRCMG-UHFFFAOYSA-N 1 0 289.335 3.004 20 5 CGBDRO CCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595025463 347261120 /nfs/dbraw/zinc/26/11/20/347261120.db2.gz HSBRSRRJVHSEJG-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000595047251 347268609 /nfs/dbraw/zinc/26/86/09/347268609.db2.gz CPTXDGZSTANWMC-WBMJQRKESA-N 1 0 297.358 3.370 20 5 CGBDRO C[C@@H]([NH2+]CCC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000595087720 347280296 /nfs/dbraw/zinc/28/02/96/347280296.db2.gz OKZCPUZGRUWIDB-SNVBAGLBSA-N 1 0 254.305 3.384 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595598867 347323542 /nfs/dbraw/zinc/32/35/42/347323542.db2.gz IJNPUHAODDQCBT-JTQLQIEISA-N 1 0 254.305 3.354 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595766282 347353389 /nfs/dbraw/zinc/35/33/89/347353389.db2.gz OABUMKFDUYCVAL-LBPRGKRZSA-N 1 0 252.289 3.012 20 5 CGBDRO CCCC[C@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595430526 347303189 /nfs/dbraw/zinc/30/31/89/347303189.db2.gz VQEHQPYVQWDQEP-NWDGAFQWSA-N 1 0 281.356 3.340 20 5 CGBDRO CCC[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595433798 347303255 /nfs/dbraw/zinc/30/32/55/347303255.db2.gz UFPDJLQBMMEGAZ-NSHDSACASA-N 1 0 267.329 3.046 20 5 CGBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000595453597 347305700 /nfs/dbraw/zinc/30/57/00/347305700.db2.gz QGMINPRBUIPNDT-PWSUYJOCSA-N 1 0 281.356 3.292 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595484752 347310399 /nfs/dbraw/zinc/31/03/99/347310399.db2.gz NINPHRGHTKOOGF-YOWGUQMCSA-N 1 0 274.364 3.115 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2CCCCC23CCCC3)c1[N+](=O)[O-] ZINC000595491140 347311646 /nfs/dbraw/zinc/31/16/46/347311646.db2.gz BLRAECCTFIMXIP-CYBMUJFWSA-N 1 0 293.367 3.484 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000595538238 347316750 /nfs/dbraw/zinc/31/67/50/347316750.db2.gz HYAQCTFBUVBEIG-JIMOISOXSA-N 1 0 264.300 3.012 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595543481 347317262 /nfs/dbraw/zinc/31/72/62/347317262.db2.gz JYXKWNYOXFDKDQ-BONVTDFDSA-N 1 0 296.342 3.027 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C(C)(C)C)ccc1[N+](=O)[O-] ZINC000596305915 347413901 /nfs/dbraw/zinc/41/39/01/347413901.db2.gz CWXQVQGXTUQPKS-ZDUSSCGKSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ncc(-c2cc(C[NH+](C)C)ccc2F)cc1[N+](=O)[O-] ZINC000596641399 347496324 /nfs/dbraw/zinc/49/63/24/347496324.db2.gz VCHYXKGUNCNBCN-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO Cc1cc(N2CC3CC2(C)C3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000596574182 347481051 /nfs/dbraw/zinc/48/10/51/347481051.db2.gz DXHVVZJJJWDBOA-UHFFFAOYSA-N 1 0 283.331 3.440 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@@H]1C[C@H]1C1CC1 ZINC000598963350 347701443 /nfs/dbraw/zinc/70/14/43/347701443.db2.gz NKFCMQFBTYHGBW-ONERCXAPSA-N 1 0 290.363 3.128 20 5 CGBDRO CCC[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)OCC ZINC000598989260 347704198 /nfs/dbraw/zinc/70/41/98/347704198.db2.gz FICHGVGSQNQBMD-CYBMUJFWSA-N 1 0 284.331 3.029 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000598998059 347704813 /nfs/dbraw/zinc/70/48/13/347704813.db2.gz DEWHPIYJLWICSZ-CVJLOGBASA-N 1 0 290.363 3.010 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056070 347711352 /nfs/dbraw/zinc/71/13/52/347711352.db2.gz JGVMGUPGGMPGBZ-CZUORRHYSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCC(C)C)cc1[N+](=O)[O-] ZINC000599069849 347714076 /nfs/dbraw/zinc/71/40/76/347714076.db2.gz WBYIXHLQXGILHH-UKRRQHHQSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC(F)(F)CN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000599069386 347714155 /nfs/dbraw/zinc/71/41/55/347714155.db2.gz YHGFBMTUQXZYAW-NSHDSACASA-N 1 0 270.279 3.217 20 5 CGBDRO Cc1cc(C[NH2+]C(C)(C)c2ccc([N+](=O)[O-])cc2)ccn1 ZINC000598600229 347669867 /nfs/dbraw/zinc/66/98/67/347669867.db2.gz IZGXEHFRHYMPON-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO Cc1c(CN2Cc3ccc(O)cc3C2)cccc1[N+](=O)[O-] ZINC000599537674 347752407 /nfs/dbraw/zinc/75/24/07/347752407.db2.gz IRZXYZOJIMBLBG-UHFFFAOYSA-N 1 0 284.315 3.125 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCCC(F)(F)CC1 ZINC000599551250 347753316 /nfs/dbraw/zinc/75/33/16/347753316.db2.gz JOQLWWODRQHPFT-UHFFFAOYSA-N 1 0 270.279 3.216 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)c1 ZINC000600214174 347794986 /nfs/dbraw/zinc/79/49/86/347794986.db2.gz MMORSLJNGRZPAR-OAHLLOKOSA-N 1 0 298.342 3.290 20 5 CGBDRO [NH3+][C@H]1CCCCc2cc(-c3ccc([N+](=O)[O-])nc3)ccc21 ZINC000600789009 347836362 /nfs/dbraw/zinc/83/63/62/347836362.db2.gz PFVCYFIWQWYZMO-HNNXBMFYSA-N 1 0 283.331 3.383 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)cc1 ZINC000601136356 347873602 /nfs/dbraw/zinc/87/36/02/347873602.db2.gz PYMIVVQAFCTSNO-SJORKVTESA-N 1 0 298.342 3.215 20 5 CGBDRO C[N@@H+](Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])CC1CC1 ZINC000602451245 347960277 /nfs/dbraw/zinc/96/02/77/347960277.db2.gz FDHINUYUOKWZSG-UHFFFAOYSA-N 1 0 288.269 3.455 20 5 CGBDRO CCC[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000602671811 348006082 /nfs/dbraw/zinc/00/60/82/348006082.db2.gz JQKYCVUBWGLSPU-GFCCVEGCSA-N 1 0 280.368 3.235 20 5 CGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602689250 348009959 /nfs/dbraw/zinc/00/99/59/348009959.db2.gz AUQTWGOEXLWXNE-ZYHUDNBSSA-N 1 0 289.335 3.260 20 5 CGBDRO CCSC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602713097 348015826 /nfs/dbraw/zinc/01/58/26/348015826.db2.gz JCZMDIPIDLNPAW-UHFFFAOYSA-N 1 0 280.393 3.013 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433523 348120254 /nfs/dbraw/zinc/12/02/54/348120254.db2.gz UDGJLAPKNZRQPF-VXGBXAGGSA-N 1 0 297.424 3.436 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c(F)c1 ZINC000608909495 348333695 /nfs/dbraw/zinc/33/36/95/348333695.db2.gz TYFBHBPEFWVTNA-UHFFFAOYSA-N 1 0 299.265 3.058 20 5 CGBDRO CC[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000609144042 348337518 /nfs/dbraw/zinc/33/75/18/348337518.db2.gz GXZKDNGJRJQXIS-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])s1 ZINC000609354025 348342834 /nfs/dbraw/zinc/34/28/34/348342834.db2.gz GZKXODKDRMXGAL-QWRGUYRKSA-N 1 0 283.397 3.331 20 5 CGBDRO C[C@H]1CCC[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610215440 348367484 /nfs/dbraw/zinc/36/74/84/348367484.db2.gz SLACGJQKOSOMAA-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000610476285 348383919 /nfs/dbraw/zinc/38/39/19/348383919.db2.gz TWHDKEJSHYYNES-UHFFFAOYSA-N 1 0 296.342 3.125 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000609839993 348354431 /nfs/dbraw/zinc/35/44/31/348354431.db2.gz VZRRFXPZUSJTGT-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCO[C@H](C(C)C)C1 ZINC000273357881 192124197 /nfs/dbraw/zinc/12/41/97/192124197.db2.gz CNOWCMVPDJJDPZ-HOCLYGCPSA-N 1 0 292.379 3.196 20 5 CGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000610995213 348417113 /nfs/dbraw/zinc/41/71/13/348417113.db2.gz HELIAKDPXJXMLL-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@H](CNc2ccsc2[N+](=O)[O-])C1 ZINC000610687112 348396901 /nfs/dbraw/zinc/39/69/01/348396901.db2.gz XAIFYLLFARUOGQ-LLVKDONJSA-N 1 0 283.397 3.046 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319655 348438230 /nfs/dbraw/zinc/43/82/30/348438230.db2.gz KBZDSEBTFDEKQU-WDEREUQCSA-N 1 0 289.335 3.499 20 5 CGBDRO CO[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000339531132 215233154 /nfs/dbraw/zinc/23/31/54/215233154.db2.gz QQIQRJOZKMWBFP-RCLKMUNOSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1ccsc1 ZINC000619783156 349284981 /nfs/dbraw/zinc/28/49/81/349284981.db2.gz PABWSOYPZTWVQB-NSHDSACASA-N 1 0 292.360 3.386 20 5 CGBDRO Cc1c[nH+]ccc1NCCCCc1ccc([N+](=O)[O-])cc1 ZINC000359486075 233322775 /nfs/dbraw/zinc/32/27/75/233322775.db2.gz UGNQCAVQHYPJQL-UHFFFAOYSA-N 1 0 285.347 3.155 20 5 CGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000124282370 187129853 /nfs/dbraw/zinc/12/98/53/187129853.db2.gz MTNPHAMJNONDKC-ZFWWWQNUSA-N 1 0 292.379 3.110 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000133263080 187674270 /nfs/dbraw/zinc/67/42/70/187674270.db2.gz KRWIBNBKESZBGX-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000152499207 188023793 /nfs/dbraw/zinc/02/37/93/188023793.db2.gz OSOHIXXHTUHHGM-XJKSGUPXSA-N 1 0 294.395 3.434 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCOC)cc1[N+](=O)[O-] ZINC000152947767 188054794 /nfs/dbraw/zinc/05/47/94/188054794.db2.gz LABAXQMEAAIJHN-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO CCOC[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000154133198 188125018 /nfs/dbraw/zinc/12/50/18/188125018.db2.gz LCGGCUONOAPKRG-LBPRGKRZSA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1cnc(CC[N@@H+](C)Cc2cccc([N+](=O)[O-])c2)s1 ZINC000157409481 188315566 /nfs/dbraw/zinc/31/55/66/188315566.db2.gz HIKGLXHIHSJFEY-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157704189 188333867 /nfs/dbraw/zinc/33/38/67/188333867.db2.gz YHWHXVNCUBIXMO-ZOWXZIJZSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000158033210 188353673 /nfs/dbraw/zinc/35/36/73/188353673.db2.gz VCAZTDJJHXOTNJ-RISCZKNCSA-N 1 0 280.368 3.043 20 5 CGBDRO CCOC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000292720344 198388281 /nfs/dbraw/zinc/38/82/81/198388281.db2.gz FFRJXLUXTFXGDG-UHFFFAOYSA-N 1 0 292.379 3.294 20 5 CGBDRO CC[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000163399464 188606557 /nfs/dbraw/zinc/60/65/57/188606557.db2.gz VMBRBTNGIKZWCK-RCBQFDQVSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc(NCCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])c1 ZINC000413350850 235271699 /nfs/dbraw/zinc/27/16/99/235271699.db2.gz YGBCLPSAEVZQSM-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC23CC3)o1 ZINC000424185715 236131179 /nfs/dbraw/zinc/13/11/79/236131179.db2.gz QGRHHQHMSSOMKI-OAHLLOKOSA-N 1 0 284.315 3.497 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000300413363 138578089 /nfs/dbraw/zinc/57/80/89/138578089.db2.gz BDMHRZJGDFDRPP-PEYYIBSZSA-N 1 0 290.363 3.121 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)c1ccccn1 ZINC000294677492 199129532 /nfs/dbraw/zinc/12/95/32/199129532.db2.gz BHHBBOKWVQVQEV-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294802222 199190110 /nfs/dbraw/zinc/19/01/10/199190110.db2.gz PAJKJNIEQBVYQB-YGRLFVJLSA-N 1 0 295.408 3.113 20 5 CGBDRO C[C@H](CCCCO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294927451 199255043 /nfs/dbraw/zinc/25/50/43/199255043.db2.gz BJSSYLNPOQFIMW-KGLIPLIRSA-N 1 0 294.395 3.057 20 5 CGBDRO COCCSCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296796807 200000249 /nfs/dbraw/zinc/00/02/49/200000249.db2.gz TXOHWFZKTJZGHD-LBPRGKRZSA-N 1 0 298.408 3.015 20 5 CGBDRO C[C@]12CC[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]1C2(F)F ZINC000298207955 200360242 /nfs/dbraw/zinc/36/02/42/200360242.db2.gz DEFASUHBWXUTOV-KGLIPLIRSA-N 1 0 296.317 3.114 20 5 CGBDRO C[C@H]1[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCC[C@@H]1C ZINC000178563608 189127308 /nfs/dbraw/zinc/12/73/08/189127308.db2.gz XYONZQPBHVMVNJ-OJDYBEQGSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1ccc([C@@H](C)NCC[C@H]2CCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000181844357 189308348 /nfs/dbraw/zinc/30/83/48/189308348.db2.gz PAWVDTJPXDPUGX-UKRRQHHQSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000301559202 201069897 /nfs/dbraw/zinc/06/98/97/201069897.db2.gz JOTUOCUALFEUDN-STQMWFEESA-N 1 0 277.368 3.188 20 5 CGBDRO CC[NH+]1CCC(CCNc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000342375139 216329345 /nfs/dbraw/zinc/32/93/45/216329345.db2.gz LCHXTLWEYSCQAQ-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO CC(C)C[C@H](CNc1sccc1[N+](=O)[O-])[NH+](C)C ZINC000301978569 201285132 /nfs/dbraw/zinc/28/51/32/201285132.db2.gz FCEMYMJXYOLFRI-SNVBAGLBSA-N 1 0 271.386 3.045 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccsc1 ZINC000449057769 239146491 /nfs/dbraw/zinc/14/64/91/239146491.db2.gz DWHZRNDHDQYBSW-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449086504 239168733 /nfs/dbraw/zinc/16/87/33/239168733.db2.gz BULKEPDUSZKNFE-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C1CC1)C1CC1 ZINC000449104059 239181491 /nfs/dbraw/zinc/18/14/91/239181491.db2.gz SXUGOPBDMXSANX-NSHDSACASA-N 1 0 274.364 3.304 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000449175509 239222613 /nfs/dbraw/zinc/22/26/13/239222613.db2.gz OHXXOYPAHHJZOW-IUODEOHRSA-N 1 0 294.395 3.177 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C)C1 ZINC000449265184 239277531 /nfs/dbraw/zinc/27/75/31/239277531.db2.gz PAHUFIHWPMQXEO-BZPMIXESSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000302186958 201387503 /nfs/dbraw/zinc/38/75/03/201387503.db2.gz UPNPEGUMKMVTHT-ZDUSSCGKSA-N 1 0 277.368 3.271 20 5 CGBDRO CC(C)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000119779299 370709138 /nfs/dbraw/zinc/70/91/38/370709138.db2.gz OHOFPLXVFGFUMP-UHFFFAOYSA-N 1 0 278.352 3.237 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CC(C3CCCC3)C2)c1 ZINC000459613026 242147146 /nfs/dbraw/zinc/14/71/46/242147146.db2.gz NCHJUYWAOWYGMB-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(C3CCC3)CCC2)cs1 ZINC000459752472 242209948 /nfs/dbraw/zinc/20/99/48/242209948.db2.gz QSLMVCXJJMPKEK-UHFFFAOYSA-N 1 0 266.366 3.469 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459754398 242211924 /nfs/dbraw/zinc/21/19/24/242211924.db2.gz DELWHAVGVCZKDT-UHFFFAOYSA-N 1 0 290.363 3.286 20 5 CGBDRO O=[N+]([O-])c1cc(F)c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c(F)c1 ZINC000459774297 242226169 /nfs/dbraw/zinc/22/61/69/242226169.db2.gz IQVFSJUVTUCIMD-IPURGOFSSA-N 1 0 282.290 3.151 20 5 CGBDRO CC[C@@H](CNc1cc(C)c([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000461774074 242313276 /nfs/dbraw/zinc/31/32/76/242313276.db2.gz KFPBHDUDYVGNBH-LBPRGKRZSA-N 1 0 295.358 3.329 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000479550744 243110619 /nfs/dbraw/zinc/11/06/19/243110619.db2.gz BXQJJLDSKKNHBE-TZMCWYRMSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000479563323 243112234 /nfs/dbraw/zinc/11/22/34/243112234.db2.gz ACJUGIFQEMXKHQ-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000483093785 243260211 /nfs/dbraw/zinc/26/02/11/243260211.db2.gz BXPBSENKEADHJJ-CYBMUJFWSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000020086636 368797469 /nfs/dbraw/zinc/79/74/69/368797469.db2.gz BUGWITMWEUPZAI-LBPRGKRZSA-N 1 0 256.305 3.446 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037010536 369051997 /nfs/dbraw/zinc/05/19/97/369051997.db2.gz BIZBZUSJRRGLQZ-OAHLLOKOSA-N 1 0 271.320 3.231 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC3(CCC3)C2)ccc1[N+](=O)[O-] ZINC000492695459 244008411 /nfs/dbraw/zinc/00/84/11/244008411.db2.gz JGXKCPOUTIROMI-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775100 369164326 /nfs/dbraw/zinc/16/43/26/369164326.db2.gz VUHZRTILMHFSHS-GDBMZVCRSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042814405 369233277 /nfs/dbraw/zinc/23/32/77/369233277.db2.gz ZSPMSZGSXAFNJN-GXTWGEPZSA-N 1 0 278.352 3.123 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000330910007 203380744 /nfs/dbraw/zinc/38/07/44/203380744.db2.gz FKIHKDFSYWDKED-NSHDSACASA-N 1 0 282.315 3.117 20 5 CGBDRO Cc1cc(NC2CC[NH+](CC(C)C)CC2)ccc1[N+](=O)[O-] ZINC000059384755 369580287 /nfs/dbraw/zinc/58/02/87/369580287.db2.gz BRIMWMVTLUOCRD-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(F)c(F)c(F)c2)cc1 ZINC000062707802 369629092 /nfs/dbraw/zinc/62/90/92/369629092.db2.gz UQEQMAVFUWHAHT-UHFFFAOYSA-N 1 0 296.248 3.302 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000068838495 369750050 /nfs/dbraw/zinc/75/00/50/369750050.db2.gz IOTJAHVKZPKXAB-ZDUSSCGKSA-N 1 0 291.376 3.371 20 5 CGBDRO CS[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090725234 370066570 /nfs/dbraw/zinc/06/65/70/370066570.db2.gz LMIPDYHNDXVSPV-MWLCHTKSSA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1c(C[N@H+]2CCS[C@@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417601 370614768 /nfs/dbraw/zinc/61/47/68/370614768.db2.gz NGYMPTFGGIGQHA-RYUDHWBXSA-N 1 0 280.393 3.229 20 5 CGBDRO CCCCOCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000130859388 371064594 /nfs/dbraw/zinc/06/45/94/371064594.db2.gz IUHKILPWNXCUMN-CYBMUJFWSA-N 1 0 280.368 3.452 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000132447687 371175239 /nfs/dbraw/zinc/17/52/39/371175239.db2.gz XYFMWMFFIMDVRI-WCQYABFASA-N 1 0 280.393 3.449 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134609133 371352852 /nfs/dbraw/zinc/35/28/52/371352852.db2.gz XIDZYAIRGVHBHF-CYBMUJFWSA-N 1 0 298.383 3.451 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000134609156 371353545 /nfs/dbraw/zinc/35/35/45/371353545.db2.gz XIDZYAIRGVHBHF-ZDUSSCGKSA-N 1 0 298.383 3.451 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCS2)cc1[N+](=O)[O-] ZINC000149616408 371529385 /nfs/dbraw/zinc/52/93/85/371529385.db2.gz ADPMXGHSJMWGRF-YPMHNXCESA-N 1 0 280.393 3.449 20 5 CGBDRO CC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000154578040 371858178 /nfs/dbraw/zinc/85/81/78/371858178.db2.gz ZZHGJNVEPVGVES-SECBINFHSA-N 1 0 288.294 3.427 20 5 CGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156814561 371996929 /nfs/dbraw/zinc/99/69/29/371996929.db2.gz AKDYKWFEVCDWPF-TYNCELHUSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1nccn1CCCCSc1ccc([N+](=O)[O-])cn1 ZINC000158806831 372085493 /nfs/dbraw/zinc/08/54/93/372085493.db2.gz FATBPVCTYKMWCK-UHFFFAOYSA-N 1 0 292.364 3.067 20 5 CGBDRO COC1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000293067007 372291421 /nfs/dbraw/zinc/29/14/21/372291421.db2.gz VBVLJEYERKSXSK-QPJJXVBHSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CCCOC1 ZINC000344324685 217150396 /nfs/dbraw/zinc/15/03/96/217150396.db2.gz HAUVRHJJVJQFOY-JQWIXIFHSA-N 1 0 298.770 3.153 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCOCC1 ZINC000344325404 217151591 /nfs/dbraw/zinc/15/15/91/217151591.db2.gz LZACUDDRDIUCCJ-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000429282597 372338868 /nfs/dbraw/zinc/33/88/68/372338868.db2.gz FSZKSNCKFWSXTK-ZDUSSCGKSA-N 1 0 280.393 3.170 20 5 CGBDRO CCCC[N@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163504181 372475876 /nfs/dbraw/zinc/47/58/76/372475876.db2.gz DIJXVHXSFDNEFC-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO Cc1sccc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000293641152 372432975 /nfs/dbraw/zinc/43/29/75/372432975.db2.gz RRHDIROMJMTNJO-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000293682033 372449072 /nfs/dbraw/zinc/44/90/72/372449072.db2.gz KILPXVQPGXZZFR-GJZGRUSLSA-N 1 0 278.352 3.061 20 5 CGBDRO COC[C@]1(C)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294189494 372607803 /nfs/dbraw/zinc/60/78/03/372607803.db2.gz KWUNSHCZURSPSG-CQSZACIVSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433812160 372635783 /nfs/dbraw/zinc/63/57/83/372635783.db2.gz MZTVDESYNZSIFB-CYBMUJFWSA-N 1 0 293.342 3.163 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000344591164 217241048 /nfs/dbraw/zinc/24/10/48/217241048.db2.gz MGLXMJRNRLNKTF-OAHLLOKOSA-N 1 0 271.320 3.231 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000295623389 372853023 /nfs/dbraw/zinc/85/30/23/372853023.db2.gz ZKCDLTBLEVMZRY-DOMZBBRYSA-N 1 0 292.379 3.139 20 5 CGBDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000295916617 372957984 /nfs/dbraw/zinc/95/79/84/372957984.db2.gz FBOLDOHJVQOWJK-VXGBXAGGSA-N 1 0 288.351 3.223 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173428377 373140367 /nfs/dbraw/zinc/14/03/67/373140367.db2.gz WPAYVIVFQWJXJY-OCCSQVGLSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC(C)C ZINC000444628024 373214672 /nfs/dbraw/zinc/21/46/72/373214672.db2.gz SAEQWMSRVBDSNM-UHFFFAOYSA-N 1 0 290.367 3.339 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC23CCC3)c(F)c1 ZINC000444787469 373275082 /nfs/dbraw/zinc/27/50/82/373275082.db2.gz RJLMAIUBHJOWRU-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO CC(C)C[C@H](CNc1ccc(F)cc1[N+](=O)[O-])[NH+](C)C ZINC000301091578 373657145 /nfs/dbraw/zinc/65/71/45/373657145.db2.gz WFNBLXHMVSNAAZ-GFCCVEGCSA-N 1 0 283.347 3.122 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000301069966 373648950 /nfs/dbraw/zinc/64/89/50/373648950.db2.gz FLCNWHLIDGERPD-STQMWFEESA-N 1 0 277.368 3.127 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301088001 373654493 /nfs/dbraw/zinc/65/44/93/373654493.db2.gz MCVDWXHSCRTYBM-UHFFFAOYSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000301104176 373661173 /nfs/dbraw/zinc/66/11/73/373661173.db2.gz POQXTBRRRTWIIE-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1nn(C)cc1[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178721973 373806101 /nfs/dbraw/zinc/80/61/01/373806101.db2.gz QSOVESRFRLSDKS-MNOVXSKESA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC[N@@H+](C)C(C)C ZINC000302803194 373969367 /nfs/dbraw/zinc/96/93/67/373969367.db2.gz DJBJWTUPGQWASZ-UHFFFAOYSA-N 1 0 285.775 3.309 20 5 CGBDRO CC[C@@H]([NH2+]CC1(OC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000180201617 373976802 /nfs/dbraw/zinc/97/68/02/373976802.db2.gz DEWZZKPRPQJYRN-CQSZACIVSA-N 1 0 278.352 3.205 20 5 CGBDRO CCc1cc(N2CCc3ccc([N+](=O)[O-])cc3C2)cc[nH+]1 ZINC000450383303 374093073 /nfs/dbraw/zinc/09/30/73/374093073.db2.gz ZUQGUEGQWGDLGN-UHFFFAOYSA-N 1 0 283.331 3.115 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CCC1 ZINC000182164780 374227230 /nfs/dbraw/zinc/22/72/30/374227230.db2.gz RHUQZYRFOBIZRB-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000311908245 374262131 /nfs/dbraw/zinc/26/21/31/374262131.db2.gz GWFLMLQAJCUGKU-SSDOTTSWSA-N 1 0 280.221 3.164 20 5 CGBDRO Cc1sccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000311181394 374235754 /nfs/dbraw/zinc/23/57/54/374235754.db2.gz YUUYDVDTCNCWEB-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCCO1 ZINC000182244605 374243509 /nfs/dbraw/zinc/24/35/09/374243509.db2.gz CBAVYQRDOZRFAO-JSGCOSHPSA-N 1 0 298.770 3.295 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccncc1 ZINC000183747767 374452102 /nfs/dbraw/zinc/45/21/02/374452102.db2.gz SAIBLPNNTYFYCT-GQCTYLIASA-N 1 0 283.331 3.135 20 5 CGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000331052681 374499357 /nfs/dbraw/zinc/49/93/57/374499357.db2.gz JHQSVARXRQEGPU-VXGBXAGGSA-N 1 0 294.399 3.023 20 5 CGBDRO CC(C)O[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000185239456 374618915 /nfs/dbraw/zinc/61/89/15/374618915.db2.gz AMQQIZQUVIEQFR-LSDHHAIUSA-N 1 0 292.379 3.277 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186316008 374831455 /nfs/dbraw/zinc/83/14/55/374831455.db2.gz CBSNXTAXIYAGNY-GOEBONIOSA-N 1 0 292.379 3.278 20 5 CGBDRO COC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCCCC1 ZINC000187442717 375021986 /nfs/dbraw/zinc/02/19/86/375021986.db2.gz ZDBKWSPZRAOYAA-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO C[C@H](C[NH+]1CCCCCC1)NCc1csc([N+](=O)[O-])c1 ZINC000187565456 375043351 /nfs/dbraw/zinc/04/33/51/375043351.db2.gz KHOHUWGOFOMAES-GFCCVEGCSA-N 1 0 297.424 3.010 20 5 CGBDRO CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@@H]1C ZINC000189265739 375351768 /nfs/dbraw/zinc/35/17/68/375351768.db2.gz IHBYLZABFSPKMC-HZMBPMFUSA-N 1 0 298.770 3.105 20 5 CGBDRO CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000190933831 375551840 /nfs/dbraw/zinc/55/18/40/375551840.db2.gz NFNSXDYJQJMHBI-KGLIPLIRSA-N 1 0 292.379 3.375 20 5 CGBDRO CSC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000193657486 375904614 /nfs/dbraw/zinc/90/46/14/375904614.db2.gz FEUSNLGZBUFTIB-GQCTYLIASA-N 1 0 278.377 3.093 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336811965 375964662 /nfs/dbraw/zinc/96/46/62/375964662.db2.gz PLVYNKAYBMKUMN-PHIMTYICSA-N 1 0 266.316 3.497 20 5 CGBDRO C=Cn1cc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)cn1 ZINC000194354836 375989998 /nfs/dbraw/zinc/98/99/98/375989998.db2.gz JAQHSBYCVKWPBA-OAHLLOKOSA-N 1 0 286.335 3.133 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@@H]1CC=CCC1)C2 ZINC000537625719 376184957 /nfs/dbraw/zinc/18/49/57/376184957.db2.gz RYZNGMWKYNGFNL-CYBMUJFWSA-N 1 0 272.348 3.309 20 5 CGBDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000538725955 376260725 /nfs/dbraw/zinc/26/07/25/376260725.db2.gz IWTIYAPSSGXFJM-YPMHNXCESA-N 1 0 262.353 3.381 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000223845014 376264736 /nfs/dbraw/zinc/26/47/36/376264736.db2.gz VYYQFQRMUKLXKV-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO CS[C@H](C)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540151655 376361390 /nfs/dbraw/zinc/36/13/90/376361390.db2.gz UCTGSGYSWUAGQF-GHMZBOCLSA-N 1 0 268.382 3.305 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000541771025 376480283 /nfs/dbraw/zinc/48/02/83/376480283.db2.gz LBUYFUDIPQMSHN-WCQYABFASA-N 1 0 262.353 3.381 20 5 CGBDRO Cc1cnccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000229659187 376467825 /nfs/dbraw/zinc/46/78/25/376467825.db2.gz PRYDIUMFYRLEQW-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1C(F)(F)F)CC1CC1 ZINC000338930745 376579772 /nfs/dbraw/zinc/57/97/72/376579772.db2.gz XEYDJFCPWKUXPV-UHFFFAOYSA-N 1 0 288.269 3.455 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1OCCC1CC[NH2+]CC1 ZINC000236049320 376658071 /nfs/dbraw/zinc/65/80/71/376658071.db2.gz CLGSXCNMTSSDLE-UHFFFAOYSA-N 1 0 284.743 3.017 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000544115817 376703861 /nfs/dbraw/zinc/70/38/61/376703861.db2.gz XEPRAABRAKNKPY-CQSZACIVSA-N 1 0 290.363 3.262 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CCC[C@H](C)CO)cc1[N+](=O)[O-] ZINC000340104270 376918203 /nfs/dbraw/zinc/91/82/03/376918203.db2.gz JZPOCSZWYMELHG-ZDUSSCGKSA-N 1 0 294.395 3.216 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cccc3cc[nH]c32)c1 ZINC000340104786 376919499 /nfs/dbraw/zinc/91/94/99/376919499.db2.gz KNNCTPGGMMEAGM-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO Cc1c(C[N@H+]2CCS[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000246382810 377020402 /nfs/dbraw/zinc/02/04/02/377020402.db2.gz NGYMPTFGGIGQHA-VXGBXAGGSA-N 1 0 280.393 3.229 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H]1C(F)F ZINC000558256671 376990730 /nfs/dbraw/zinc/99/07/30/376990730.db2.gz VAUMCJOJKARJRO-DLOVCJGASA-N 1 0 284.306 3.159 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340447351 377065689 /nfs/dbraw/zinc/06/56/89/377065689.db2.gz UIMVJXFJAJASCM-MNOVXSKESA-N 1 0 287.319 3.107 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000560882330 377197466 /nfs/dbraw/zinc/19/74/66/377197466.db2.gz KUZHEARPYNPJCU-BFHYXJOUSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1ccc(OCc2ccc3c(c2)C[NH2+]CC3)c([N+](=O)[O-])c1 ZINC000516071567 249225303 /nfs/dbraw/zinc/22/53/03/249225303.db2.gz LXCVWCHVEILNOM-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO COc1ccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)cc1 ZINC000517581847 249267896 /nfs/dbraw/zinc/26/78/96/249267896.db2.gz PHBLKBNASVGASJ-UHFFFAOYSA-N 1 0 298.342 3.382 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711378 377749172 /nfs/dbraw/zinc/74/91/72/377749172.db2.gz AFQHTXPPEHPSMW-KGLIPLIRSA-N 1 0 292.379 3.404 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000342747083 377771365 /nfs/dbraw/zinc/77/13/65/377771365.db2.gz XLIWFQVFTUOKHN-KGLIPLIRSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C(C)(C)C(C)C ZINC000578559662 378081369 /nfs/dbraw/zinc/08/13/69/378081369.db2.gz RFCPJOJSRNQEPB-UHFFFAOYSA-N 1 0 250.342 3.427 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc1[N+](=O)[O-] ZINC000578747782 378096971 /nfs/dbraw/zinc/09/69/71/378096971.db2.gz PWWNIGPNWNKONQ-MDZLAQPJSA-N 1 0 278.352 3.443 20 5 CGBDRO Cc1nc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])cs1 ZINC000269385818 378215143 /nfs/dbraw/zinc/21/51/43/378215143.db2.gz AUMCIIBNZIEPEM-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO CCc1cnccc1NC(=O)Cc1cccc([N+](=O)[O-])c1C ZINC000269692724 378254478 /nfs/dbraw/zinc/25/44/78/378254478.db2.gz KMPHONPNJVXFMP-UHFFFAOYSA-N 1 0 299.330 3.042 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccncc1 ZINC000271034768 378434261 /nfs/dbraw/zinc/43/42/61/378434261.db2.gz RHUJPEGKKGHJNM-UHFFFAOYSA-N 1 0 285.347 3.054 20 5 CGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000346656287 378664866 /nfs/dbraw/zinc/66/48/66/378664866.db2.gz ZZIOCMAJWLXCHC-CJNGLKHVSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@@]1(CO)CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000275150412 378945441 /nfs/dbraw/zinc/94/54/41/378945441.db2.gz PIUSKYGPPIMGKL-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO COC1(C[C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277156480 379085298 /nfs/dbraw/zinc/08/52/98/379085298.db2.gz QPOZVGBYZKABSC-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266763988 190279380 /nfs/dbraw/zinc/27/93/80/190279380.db2.gz HGYDJWZUADXISJ-NEPJUHHUSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000266839036 190283895 /nfs/dbraw/zinc/28/38/95/190283895.db2.gz GIQGIMYQVWVUKO-MLGOLLRUSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000280552274 379731258 /nfs/dbraw/zinc/73/12/58/379731258.db2.gz KCGCHZIRXFLRIK-JTQLQIEISA-N 1 0 288.351 3.139 20 5 CGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CCCC1 ZINC000280552278 379731410 /nfs/dbraw/zinc/73/14/10/379731410.db2.gz KCGCHZIRXFLRIK-SNVBAGLBSA-N 1 0 288.351 3.139 20 5 CGBDRO Cc1cc(NCCC(C)(F)F)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000379179415 379859724 /nfs/dbraw/zinc/85/97/24/379859724.db2.gz ONJMJGLBHISIAG-UHFFFAOYSA-N 1 0 295.289 3.331 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000394265995 379918522 /nfs/dbraw/zinc/91/85/22/379918522.db2.gz JAQRJUFCAVYGDX-DWZYQQQCSA-N 1 0 260.337 3.434 20 5 CGBDRO CCC[NH+](CCC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283515275 380069311 /nfs/dbraw/zinc/06/93/11/380069311.db2.gz MTQSKZSYQRVQPL-UHFFFAOYSA-N 1 0 293.367 3.045 20 5 CGBDRO COCC[C@H](C)C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000414477921 380255305 /nfs/dbraw/zinc/25/53/05/380255305.db2.gz DWXDCBZNJIMFOG-FYQHACEVSA-N 1 0 292.379 3.260 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414578467 380327340 /nfs/dbraw/zinc/32/73/40/380327340.db2.gz IBUZZWJMIBFLLT-HNCOSLNKSA-N 1 0 284.315 3.347 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCCC[C@H]1F ZINC000414509085 380285212 /nfs/dbraw/zinc/28/52/12/380285212.db2.gz DYHGTLRRPVEBTA-VTGPQGOBSA-N 1 0 278.327 3.478 20 5 CGBDRO COCC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000414512674 380286577 /nfs/dbraw/zinc/28/65/77/380286577.db2.gz NRSMVBJVJNIHRK-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@H](CC(F)(F)F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000354671102 380523778 /nfs/dbraw/zinc/52/37/78/380523778.db2.gz JQGROMHEKSOXDW-MRVPVSSYSA-N 1 0 282.287 3.477 20 5 CGBDRO CC[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421383330 380927572 /nfs/dbraw/zinc/92/75/72/380927572.db2.gz NXTGBYKHHVQZPK-VIFPVBQESA-N 1 0 288.294 3.332 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558008 381209608 /nfs/dbraw/zinc/20/96/08/381209608.db2.gz ZLBLECOKUKCUJW-WDEREUQCSA-N 1 0 266.316 3.497 20 5 CGBDRO CCC(CC)[C@H](CNc1nc(C)ccc1[N+](=O)[O-])[NH+](C)C ZINC000360662931 381610047 /nfs/dbraw/zinc/61/00/47/381610047.db2.gz HYJXTNDDRIRAAV-AWEZNQCLSA-N 1 0 294.399 3.077 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)CC2)c([N+](=O)[O-])cc1F ZINC000361649679 381858299 /nfs/dbraw/zinc/85/82/99/381858299.db2.gz FZYIAGMCCNZEAM-LLVKDONJSA-N 1 0 296.342 3.365 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362435028 381989893 /nfs/dbraw/zinc/98/98/93/381989893.db2.gz BZIQRFZADBXFPB-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CCC[C@H]([NH2+]CCC[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000228037171 542295894 /nfs/dbraw/zinc/29/58/94/542295894.db2.gz RYRRLBMHUMMZKF-WFASDCNBSA-N 1 0 280.368 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000342996698 285112691 /nfs/dbraw/zinc/11/26/91/285112691.db2.gz BIMJECAZCAUCQJ-HNNXBMFYSA-N 1 0 260.337 3.359 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000350341944 219010978 /nfs/dbraw/zinc/01/09/78/219010978.db2.gz LUOVSMMKPMZSOB-WFASDCNBSA-N 1 0 296.342 3.027 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000350312278 219007389 /nfs/dbraw/zinc/00/73/89/219007389.db2.gz ODJHBSCXKMFVJO-JTQLQIEISA-N 1 0 284.331 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1F)CCC2 ZINC000340523018 285145260 /nfs/dbraw/zinc/14/52/60/285145260.db2.gz MARVAWODRBQGTO-RRFJBIMHSA-N 1 0 278.327 3.452 20 5 CGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CC1CCCCCC1)CC2 ZINC000408222989 285184332 /nfs/dbraw/zinc/18/43/32/285184332.db2.gz HDXZLIKXKXUENK-UHFFFAOYSA-N 1 0 289.379 3.318 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CC[C@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000191061687 130178011 /nfs/dbraw/zinc/17/80/11/130178011.db2.gz LCXNMPSDDFIGJT-CQDKDKBSSA-N 1 0 278.352 3.203 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000191859349 130319782 /nfs/dbraw/zinc/31/97/82/130319782.db2.gz HMSTYAJGNQNINX-ZDUSSCGKSA-N 1 0 289.335 3.404 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000048336929 391997029 /nfs/dbraw/zinc/99/70/29/391997029.db2.gz CNYJXGKZGJCLMR-QWHCGFSZSA-N 1 0 295.770 3.287 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000062726410 392133210 /nfs/dbraw/zinc/13/32/10/392133210.db2.gz KKGWASPFVJPXIH-ZDUSSCGKSA-N 1 0 250.342 3.162 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CCCC1 ZINC000070306643 392181085 /nfs/dbraw/zinc/18/10/85/392181085.db2.gz OPCQLPXNQWXEHF-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000281967793 392265265 /nfs/dbraw/zinc/26/52/65/392265265.db2.gz BJGHKDISOIGHGA-YUELXQCFSA-N 1 0 260.337 3.263 20 5 CGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105447650 392289333 /nfs/dbraw/zinc/28/93/33/392289333.db2.gz YUYVDKQLAFLRCZ-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO CO[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000371737009 392551403 /nfs/dbraw/zinc/55/14/03/392551403.db2.gz ZRFUWKSTQQKSOB-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO CC[C@H]1CCCN(Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000509297136 392743484 /nfs/dbraw/zinc/74/34/84/392743484.db2.gz VNDAGRYDEDUXIX-JTQLQIEISA-N 1 0 284.306 3.495 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3ccccc3OC2)c1 ZINC000509444109 392753634 /nfs/dbraw/zinc/75/36/34/392753634.db2.gz LLZRPFVAKJTZCG-OAHLLOKOSA-N 1 0 298.342 3.078 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000510740420 392812682 /nfs/dbraw/zinc/81/26/82/392812682.db2.gz ZWRINFZWXYDSBZ-HZPDHXFCSA-N 1 0 274.364 3.306 20 5 CGBDRO CSC1(C[N@@H+]2CCc3c(cccc3[N+](=O)[O-])C2)CCC1 ZINC000519854772 392898678 /nfs/dbraw/zinc/89/86/78/392898678.db2.gz CDQGPGVTVDCJAP-UHFFFAOYSA-N 1 0 292.404 3.239 20 5 CGBDRO Cc1cccc(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)n1 ZINC000192706983 392858743 /nfs/dbraw/zinc/85/87/43/392858743.db2.gz NPUREKOECYBNMJ-KRWDZBQOSA-N 1 0 297.358 3.465 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341996161 392996250 /nfs/dbraw/zinc/99/62/50/392996250.db2.gz VNJDSRGCSRILFG-CZUORRHYSA-N 1 0 290.363 3.158 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(CO)CCCC1 ZINC000546017934 393026957 /nfs/dbraw/zinc/02/69/57/393026957.db2.gz VJAXPDWKKCXBEB-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1ccco1 ZINC000468620928 393155396 /nfs/dbraw/zinc/15/53/96/393155396.db2.gz PEZSYVIEVCOXRT-RAXLEYEMSA-N 1 0 286.331 3.423 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCC1 ZINC000470178153 393231428 /nfs/dbraw/zinc/23/14/28/393231428.db2.gz IJKQSAPPXWRRBM-FMIVXFBMSA-N 1 0 260.337 3.482 20 5 CGBDRO CC(C)CO[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350107 393196518 /nfs/dbraw/zinc/19/65/18/393196518.db2.gz DFIYIWQGUKPOTK-KBPBESRZSA-N 1 0 292.379 3.403 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471797492 393305288 /nfs/dbraw/zinc/30/52/88/393305288.db2.gz HYGPZXRVMOXOKG-GFCCVEGCSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000479534834 393433421 /nfs/dbraw/zinc/43/34/21/393433421.db2.gz YEGAEIWIHFYBEH-JSGCOSHPSA-N 1 0 294.395 3.433 20 5 CGBDRO CCCC[N@H+](C)CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488145021 393464272 /nfs/dbraw/zinc/46/42/72/393464272.db2.gz HFESTRFVKOBXBM-UHFFFAOYSA-N 1 0 285.775 3.392 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000430211766 393540440 /nfs/dbraw/zinc/54/04/40/393540440.db2.gz YTBNPPUQFMSIBA-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)C1CCCC1 ZINC000430215045 393540541 /nfs/dbraw/zinc/54/05/41/393540541.db2.gz BMVQGFREZZHYQA-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000430213342 393540597 /nfs/dbraw/zinc/54/05/97/393540597.db2.gz BKEGAMRHZZTVHT-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[C@@H](C)C1 ZINC000429581158 393487776 /nfs/dbraw/zinc/48/77/76/393487776.db2.gz YEBPVZYTFHPFOJ-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1C ZINC000430192387 393534463 /nfs/dbraw/zinc/53/44/63/393534463.db2.gz BSNSROTXGQFWJI-GFCCVEGCSA-N 1 0 278.352 3.368 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000430200063 393538227 /nfs/dbraw/zinc/53/82/27/393538227.db2.gz FFYHVFVTZMTSSC-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](CC(C)C)C(C)C ZINC000430208054 393539042 /nfs/dbraw/zinc/53/90/42/393539042.db2.gz OJPGGRMRJYYBMB-UHFFFAOYSA-N 1 0 280.368 3.470 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCCC1(C)C ZINC000430242972 393548276 /nfs/dbraw/zinc/54/82/76/393548276.db2.gz KDYWPXQCOGQLKB-CQSZACIVSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000490100410 393631699 /nfs/dbraw/zinc/63/16/99/393631699.db2.gz HZQMJECGDJRVSO-CYBMUJFWSA-N 1 0 278.352 3.081 20 5 CGBDRO CO[C@H](C)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433159524 393691555 /nfs/dbraw/zinc/69/15/55/393691555.db2.gz MFKNYPUANJVKGW-IAQYHMDHSA-N 1 0 292.379 3.332 20 5 CGBDRO CCC(C)(C)OCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000453610143 394257905 /nfs/dbraw/zinc/25/79/05/394257905.db2.gz FVVOWENKAQKENK-VQHVLOKHSA-N 1 0 292.379 3.403 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000417357650 286011845 /nfs/dbraw/zinc/01/18/45/286011845.db2.gz HAUWLJRWZNZLKZ-STQMWFEESA-N 1 0 280.368 3.307 20 5 CGBDRO CC[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000091929333 287110232 /nfs/dbraw/zinc/11/02/32/287110232.db2.gz OVQGZUGNWSZZPJ-VUDGCMKMSA-N 1 0 260.337 3.340 20 5 CGBDRO COc1ccc(C[NH2+]Cc2cscc2C)cc1[N+](=O)[O-] ZINC000094880997 165395743 /nfs/dbraw/zinc/39/57/43/165395743.db2.gz AGTCIBUUYVUCIA-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CC1(C)CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093339809 287115519 /nfs/dbraw/zinc/11/55/19/287115519.db2.gz XAEBBULZHCNNBA-FNORWQNLSA-N 1 0 260.337 3.340 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000096482960 287124009 /nfs/dbraw/zinc/12/40/09/287124009.db2.gz BKPIXQYMTOFCRI-CYBMUJFWSA-N 1 0 277.368 3.045 20 5 CGBDRO CCC[C@H]([NH2+]CC(C)(C)N(C)C)c1cccc([N+](=O)[O-])c1 ZINC000020126028 171009367 /nfs/dbraw/zinc/00/93/67/171009367.db2.gz IJQXQOJGCAJCIS-HNNXBMFYSA-N 1 0 293.411 3.366 20 5 CGBDRO CCC(CC)[C@@H](CNCc1cccc([N+](=O)[O-])c1)[NH+](C)C ZINC000020202232 171065987 /nfs/dbraw/zinc/06/59/87/171065987.db2.gz RBWBJNNFJHNPQB-MRXNPFEDSA-N 1 0 293.411 3.051 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC2CCC2)c1 ZINC000035368270 172159864 /nfs/dbraw/zinc/15/98/64/172159864.db2.gz JKLHYTMRDAVCIB-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000126531573 287266816 /nfs/dbraw/zinc/26/68/16/287266816.db2.gz LMXGMIDQWUCCGG-LLVKDONJSA-N 1 0 282.409 3.477 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000126580293 287268084 /nfs/dbraw/zinc/26/80/84/287268084.db2.gz GJYYTLQNHMWWAS-GFCCVEGCSA-N 1 0 298.408 3.047 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000285591655 196336672 /nfs/dbraw/zinc/33/66/72/196336672.db2.gz BLVBFCXKUXZPQC-ZWNOBZJWSA-N 1 0 293.323 3.171 20 5 CGBDRO C[C@H]([NH2+]CCCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177143 173010651 /nfs/dbraw/zinc/01/06/51/173010651.db2.gz XIXWMXAXWWVEHJ-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc(O)c2)cc1[N+](=O)[O-] ZINC000037319172 173119074 /nfs/dbraw/zinc/11/90/74/173119074.db2.gz VDBMKRJZNZNJEO-LBPRGKRZSA-N 1 0 286.331 3.460 20 5 CGBDRO COc1cccc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000037487095 173230308 /nfs/dbraw/zinc/23/03/08/173230308.db2.gz SDJNEKXTDOJXAQ-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO Cc1ncc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)s1 ZINC000037797668 173732416 /nfs/dbraw/zinc/73/24/16/173732416.db2.gz PWTBJTSACHBOOY-SECBINFHSA-N 1 0 277.349 3.211 20 5 CGBDRO CC(C)CCC[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000038093810 174107513 /nfs/dbraw/zinc/10/75/13/174107513.db2.gz VEVNIBKVKKRPND-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO CC(C)[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000042096856 174637330 /nfs/dbraw/zinc/63/73/30/174637330.db2.gz ZGDWBAFKUWENBQ-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000042555328 174792466 /nfs/dbraw/zinc/79/24/66/174792466.db2.gz ROLPDTNKTYUIQO-JQWIXIFHSA-N 1 0 250.342 3.427 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)NCc1nccs1 ZINC000128171137 287305007 /nfs/dbraw/zinc/30/50/07/287305007.db2.gz KWPOYSWMBXEMFP-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000130965473 287367671 /nfs/dbraw/zinc/36/76/71/287367671.db2.gz XGKLEYHYXGDJPO-STQMWFEESA-N 1 0 291.395 3.037 20 5 CGBDRO COC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCCC1 ZINC000319441655 262223114 /nfs/dbraw/zinc/22/31/14/262223114.db2.gz LRWMLMYVGOWTAG-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000037177165 270028963 /nfs/dbraw/zinc/02/89/63/270028963.db2.gz QBQQUHROVUHXNY-BBRMVZONSA-N 1 0 293.411 3.222 20 5 CGBDRO COC1CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000184665261 270059751 /nfs/dbraw/zinc/05/97/51/270059751.db2.gz WLTPAMFZOGWRPS-UHFFFAOYSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1c(C)cccc1[N+](=O)[O-] ZINC000096482952 265369271 /nfs/dbraw/zinc/36/92/71/265369271.db2.gz HWZHRROVWIBVFR-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000186483066 270066095 /nfs/dbraw/zinc/06/60/95/270066095.db2.gz RTBOQANEYIUPKO-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224428524 270086727 /nfs/dbraw/zinc/08/67/27/270086727.db2.gz KQXWYSBTUDZFES-NJZAAPMLSA-N 1 0 278.352 3.121 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000324640204 270094443 /nfs/dbraw/zinc/09/44/43/270094443.db2.gz CNPMMUHECHUWIE-OAHLLOKOSA-N 1 0 260.337 3.263 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H](C)C(C)C ZINC000521480903 270102089 /nfs/dbraw/zinc/10/20/89/270102089.db2.gz SUHFAVPNTNRDMC-ZDUSSCGKSA-N 1 0 280.368 3.340 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000531685558 270208694 /nfs/dbraw/zinc/20/86/94/270208694.db2.gz HNEXPJQLSXUIRG-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531973048 270212021 /nfs/dbraw/zinc/21/20/21/270212021.db2.gz IKWKCVBUFBISCQ-WFASDCNBSA-N 1 0 280.368 3.105 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000237269067 287654579 /nfs/dbraw/zinc/65/45/79/287654579.db2.gz OZOKEWVAYJBNRU-GDBMZVCRSA-N 1 0 292.379 3.196 20 5 CGBDRO CC(C)([NH3+])CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000228849433 273506455 /nfs/dbraw/zinc/50/64/55/273506455.db2.gz TVFZBHCVWRZCSH-UHFFFAOYSA-N 1 0 278.139 3.051 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000482859628 274302553 /nfs/dbraw/zinc/30/25/53/274302553.db2.gz SHFXPMPUTXCNHL-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC([NH+](C)C)CC1 ZINC000302698832 274723020 /nfs/dbraw/zinc/72/30/20/274723020.db2.gz UFYFOMYSYZWZHX-UHFFFAOYSA-N 1 0 297.786 3.087 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CCC(F)(F)C1)CC2 ZINC000450488631 275037643 /nfs/dbraw/zinc/03/76/43/275037643.db2.gz VSQQLHWDPFKTNQ-NSHDSACASA-N 1 0 296.317 3.388 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000414142334 276362943 /nfs/dbraw/zinc/36/29/43/276362943.db2.gz KNGNHPKOEGQHSV-BJJXKVORSA-N 1 0 290.363 3.129 20 5 CGBDRO CC(C)c1ccc(CN2CCCC[C@@H]2C[NH3+])cc1[N+](=O)[O-] ZINC000347053120 278035764 /nfs/dbraw/zinc/03/57/64/278035764.db2.gz RZCBNAWXJVDRQW-CQSZACIVSA-N 1 0 291.395 3.031 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CN1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037153356 278362994 /nfs/dbraw/zinc/36/29/94/278362994.db2.gz BKZWTGDIFJTBPF-UONOGXRCSA-N 1 0 291.395 3.120 20 5 CGBDRO CCC[C@]1([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCOC1 ZINC000285508238 278979769 /nfs/dbraw/zinc/97/97/69/278979769.db2.gz JRHSYNHCGOKXIH-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1nccc(C)c1[N+](=O)[O-] ZINC000070495800 279101229 /nfs/dbraw/zinc/10/12/29/279101229.db2.gz OMVSHWKOJVBOCD-CYBMUJFWSA-N 1 0 294.399 3.221 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC000094659605 279132996 /nfs/dbraw/zinc/13/29/96/279132996.db2.gz CWEBFQALDWJBLY-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO CC(C)CC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C(C)(C)C ZINC000540590498 288661581 /nfs/dbraw/zinc/66/15/81/288661581.db2.gz IJBMMLFFWRTSCK-ZDUSSCGKSA-N 1 0 296.415 3.232 20 5 CGBDRO C[C@H]([N@H+](C)CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000549929424 289061370 /nfs/dbraw/zinc/06/13/70/289061370.db2.gz BBIZKSBLYDCFJC-LBPRGKRZSA-N 1 0 280.368 3.340 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC1(C)C ZINC000555236197 289335000 /nfs/dbraw/zinc/33/50/00/289335000.db2.gz RXKCJWBQDNDVCY-SMDDNHRTSA-N 1 0 294.420 3.400 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000153219022 321715243 /nfs/dbraw/zinc/71/52/43/321715243.db2.gz VEBUNMYGNQMYBT-STQMWFEESA-N 1 0 290.363 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1ccn(C)c1 ZINC000158517344 321817280 /nfs/dbraw/zinc/81/72/80/321817280.db2.gz UJVBRVPNGCUFCS-GFCCVEGCSA-N 1 0 273.336 3.093 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CCC[C@H](F)C1 ZINC000563418091 321996296 /nfs/dbraw/zinc/99/62/96/321996296.db2.gz TUHXZMDGLWKRSF-MJVIPROJSA-N 1 0 278.327 3.452 20 5 CGBDRO Cc1ccc(OC[C@H]2CC[C@H](C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000564926171 322050117 /nfs/dbraw/zinc/05/01/17/322050117.db2.gz GNXLBHBLFRYCIZ-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO CC(C)[C@H]1CC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000568121686 322194208 /nfs/dbraw/zinc/19/42/08/322194208.db2.gz IUUNXKKNPGUTJK-BRLPQQTGSA-N 1 0 260.337 3.338 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CCC(F)(F)C1)C2 ZINC000568592474 322214911 /nfs/dbraw/zinc/21/49/11/322214911.db2.gz ZOVRAEHYLZGZDK-NSHDSACASA-N 1 0 296.317 3.388 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCSc2ccc([N+](=O)[O-])cn2)C1 ZINC000569471498 322248429 /nfs/dbraw/zinc/24/84/29/322248429.db2.gz KSAFDHSQZVZLQR-TXEJJXNPSA-N 1 0 295.408 3.060 20 5 CGBDRO CCO[C@@H]1C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000569908173 322260224 /nfs/dbraw/zinc/26/02/24/322260224.db2.gz IQYVBBXSWNDGEW-RBSFLKMASA-N 1 0 290.363 3.084 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000571939734 322312432 /nfs/dbraw/zinc/31/24/32/322312432.db2.gz OTDPWSCRTDYUBX-AWEZNQCLSA-N 1 0 276.336 3.026 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000572463451 322338350 /nfs/dbraw/zinc/33/83/50/322338350.db2.gz UGNTXIXDFDGDEW-FQUUOJAGSA-N 1 0 292.379 3.367 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000573097612 322369935 /nfs/dbraw/zinc/36/99/35/322369935.db2.gz NOBNJNBQUHFGEE-ZENOOKHLSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H](CCC1CC1)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000398155971 329435791 /nfs/dbraw/zinc/43/57/91/329435791.db2.gz UOYQQXWCSORFCW-LBPRGKRZSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)(C)C ZINC000576230821 335174812 /nfs/dbraw/zinc/17/48/12/335174812.db2.gz PNNIJNOLGBCBIL-MRVPVSSYSA-N 1 0 272.295 3.397 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCC1(F)CCC1 ZINC000577625626 335381079 /nfs/dbraw/zinc/38/10/79/335381079.db2.gz NWKAMTAIYCYGAU-ZDUSSCGKSA-N 1 0 278.327 3.454 20 5 CGBDRO C[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCCS1 ZINC000579611495 335822101 /nfs/dbraw/zinc/82/21/01/335822101.db2.gz MKHISMDVFJESHQ-HIFRSBDPSA-N 1 0 292.404 3.457 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449086503 534088216 /nfs/dbraw/zinc/08/82/16/534088216.db2.gz BULKEPDUSZKNFE-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO CCc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000052203208 521839828 /nfs/dbraw/zinc/83/98/28/521839828.db2.gz RJEKFRVJFYYGHT-UHFFFAOYSA-N 1 0 270.332 3.447 20 5 CGBDRO COc1ccc(C[NH2+]CCCC(F)(F)F)cc1[N+](=O)[O-] ZINC000097988757 524069723 /nfs/dbraw/zinc/06/97/23/524069723.db2.gz JZNOZFQLQWQCBM-UHFFFAOYSA-N 1 0 292.257 3.036 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)c1cccnc1 ZINC000183717876 525564141 /nfs/dbraw/zinc/56/41/41/525564141.db2.gz XWXJHWUBAHUNNZ-CYBMUJFWSA-N 1 0 285.347 3.491 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH+]3CCCCCC3)nc2c1 ZINC000083126832 527381834 /nfs/dbraw/zinc/38/18/34/527381834.db2.gz XSBCSUXKSUQSJZ-UHFFFAOYSA-N 1 0 275.308 3.112 20 5 CGBDRO CCCN(CC[NH+](CC)CC)Cc1csc([N+](=O)[O-])c1 ZINC000359567617 528077897 /nfs/dbraw/zinc/07/78/97/528077897.db2.gz AGAFWWQQNFOILY-UHFFFAOYSA-N 1 0 299.440 3.210 20 5 CGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173457488 528288020 /nfs/dbraw/zinc/28/80/20/528288020.db2.gz OMDPEQGTWNHRCR-ZIAGYGMSSA-N 1 0 294.395 3.290 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)O ZINC000357793122 528597391 /nfs/dbraw/zinc/59/73/91/528597391.db2.gz OOVLENKQKLQNNS-SMDDNHRTSA-N 1 0 280.368 3.041 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC2(C)CC2)cc1[N+](=O)[O-] ZINC000358188029 528606075 /nfs/dbraw/zinc/60/60/75/528606075.db2.gz KLJDPIWWGXDHMD-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO CC(C)CC[C@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000493533214 534957248 /nfs/dbraw/zinc/95/72/48/534957248.db2.gz WTPAPIJYGPENTL-OLZOCXBDSA-N 1 0 294.399 3.023 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000471797493 535216238 /nfs/dbraw/zinc/21/62/38/535216238.db2.gz HYGPZXRVMOXOKG-LBPRGKRZSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088716178 535568728 /nfs/dbraw/zinc/56/87/28/535568728.db2.gz IKCAMMBBZGBCLV-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451539072 536693421 /nfs/dbraw/zinc/69/34/21/536693421.db2.gz DZTBLBDUYRDECM-YWPYICTPSA-N 1 0 278.352 3.013 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000492908728 536807596 /nfs/dbraw/zinc/80/75/96/536807596.db2.gz AQVHLIFJUBWKRL-CQSZACIVSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@@H]1C ZINC000741790949 572529140 /nfs/dbraw/zinc/52/91/40/572529140.db2.gz OIQQTFZKGKIBTJ-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CC2(Cl)Cl)cc1[N+](=O)[O-] ZINC000743654052 572675769 /nfs/dbraw/zinc/67/57/69/572675769.db2.gz VSLUSIOGOUHNSV-SNVBAGLBSA-N 1 0 289.162 3.187 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC3(CCCC3)C2)c1 ZINC000743863738 572691598 /nfs/dbraw/zinc/69/15/98/572691598.db2.gz NOUZQOZLPVGBML-UHFFFAOYSA-N 1 0 290.363 3.240 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000743872755 572694761 /nfs/dbraw/zinc/69/47/61/572694761.db2.gz BTHPDWFDWBHLGL-WDEREUQCSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCOC1 ZINC000735492291 572725987 /nfs/dbraw/zinc/72/59/87/572725987.db2.gz HOSFGWGKZGPCEQ-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1nn(C[N@@H+](CC(C)C)C2CCCC2)c(C)c1[N+](=O)[O-] ZINC000746056305 572849266 /nfs/dbraw/zinc/84/92/66/572849266.db2.gz YVJYTWKDLPZETR-UHFFFAOYSA-N 1 0 294.399 3.266 20 5 CGBDRO C[C@@H](Cc1ccco1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000749397810 572999231 /nfs/dbraw/zinc/99/92/31/572999231.db2.gz XOTFRODMKPOZSD-LVDDQXARSA-N 1 0 286.331 3.422 20 5 CGBDRO C[C@H](Cc1cccnc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934239930 618558921 /nfs/dbraw/zinc/55/89/21/618558921.db2.gz SNPSZMNNXULVQQ-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1cccc(CC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000051669013 618624723 /nfs/dbraw/zinc/62/47/23/618624723.db2.gz OBRNLXPVAHMIBK-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO COc1c(O)ccc(C[NH2+]C2(C)CCCCC2)c1[N+](=O)[O-] ZINC000892459819 618790514 /nfs/dbraw/zinc/79/05/14/618790514.db2.gz IKTNYAXAROKJRC-UHFFFAOYSA-N 1 0 294.351 3.121 20 5 CGBDRO C[C@@H]1SCC[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311125343 618892882 /nfs/dbraw/zinc/89/28/82/618892882.db2.gz ARJAWQWUAKRBBX-GZMMTYOYSA-N 1 0 286.784 3.232 20 5 CGBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925640506 619101360 /nfs/dbraw/zinc/10/13/60/619101360.db2.gz IMUAKWVCCJAOQT-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO CCOC(C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1)OCC ZINC000093446996 619195651 /nfs/dbraw/zinc/19/56/51/619195651.db2.gz SFSVYOQLRAOQDN-CQSZACIVSA-N 1 0 296.367 3.035 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)c1cccnc1 ZINC000072727630 625344238 /nfs/dbraw/zinc/34/42/38/625344238.db2.gz OVFWXDALWNRJLT-JTQLQIEISA-N 1 0 291.738 3.494 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CCCF ZINC000895896108 619904943 /nfs/dbraw/zinc/90/49/43/619904943.db2.gz MQLBEAJXMBGWSA-FMIVXFBMSA-N 1 0 266.316 3.290 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896583359 620030357 /nfs/dbraw/zinc/03/03/57/620030357.db2.gz FWJPIXQPMAKFPY-UELRPHRMSA-N 1 0 290.363 3.109 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000896609796 620037520 /nfs/dbraw/zinc/03/75/20/620037520.db2.gz JDUOQRDSLDPQRW-SECBINFHSA-N 1 0 286.759 3.151 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000897460269 620340024 /nfs/dbraw/zinc/34/00/24/620340024.db2.gz GGMFABDQULSQTL-FOGDFJRCSA-N 1 0 284.306 3.332 20 5 CGBDRO Cc1occc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897464387 620340659 /nfs/dbraw/zinc/34/06/59/620340659.db2.gz MDEBFBDATMIMFG-NSHDSACASA-N 1 0 274.320 3.390 20 5 CGBDRO COC1(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCCC1 ZINC000897465255 620340739 /nfs/dbraw/zinc/34/07/39/620340739.db2.gz UPFUDYVPGHNECP-CYBMUJFWSA-N 1 0 292.379 3.247 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000897800182 620434732 /nfs/dbraw/zinc/43/47/32/620434732.db2.gz OWEXIONXSRQURB-SNVBAGLBSA-N 1 0 286.422 3.420 20 5 CGBDRO CCO[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000902793549 621449305 /nfs/dbraw/zinc/44/93/05/621449305.db2.gz KRVMPLQUCZGKFN-ZBFHGGJFSA-N 1 0 292.379 3.075 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903083843 621564803 /nfs/dbraw/zinc/56/48/03/621564803.db2.gz OSSTZFXAWAZIRW-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C2(C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000903139850 621595218 /nfs/dbraw/zinc/59/52/18/621595218.db2.gz VKXFVOFFEAOKGJ-JTQLQIEISA-N 1 0 276.336 3.197 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903172079 621612577 /nfs/dbraw/zinc/61/25/77/621612577.db2.gz URBWEEBVSLDSDZ-BHDSKKPTSA-N 1 0 296.392 3.006 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCCCF)cc([N+](=O)[O-])c1 ZINC000903174704 621613286 /nfs/dbraw/zinc/61/32/86/621613286.db2.gz MRBCJCYATSHUJN-JTQLQIEISA-N 1 0 270.304 3.004 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc([N+](=O)[O-])c1 ZINC000903193148 621620373 /nfs/dbraw/zinc/62/03/73/621620373.db2.gz SIGPWMNBSNYNAQ-SYEHKZFSSA-N 1 0 276.336 3.053 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000903286611 621669976 /nfs/dbraw/zinc/66/99/76/621669976.db2.gz CKKCCUOIPMAFQU-ZLDLUXBVSA-N 1 0 278.352 3.203 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903333266 621689438 /nfs/dbraw/zinc/68/94/38/621689438.db2.gz YMZHOFQSVGBLQW-CHWSQXEVSA-N 1 0 294.395 3.319 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1(C)C ZINC000227828517 623031897 /nfs/dbraw/zinc/03/18/97/623031897.db2.gz CKDFYDOSSRSKDR-OLZOCXBDSA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228417053 623055045 /nfs/dbraw/zinc/05/50/45/623055045.db2.gz QRWVZYYKIVMVEW-YPMHNXCESA-N 1 0 295.770 3.287 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774133 623477355 /nfs/dbraw/zinc/47/73/55/623477355.db2.gz VOOVVFXYMGEENL-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO CC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154329175 624253338 /nfs/dbraw/zinc/25/33/38/624253338.db2.gz KFKIUMCUZCDPJZ-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc2c1OCC2)c1ccc([N+](=O)[O-])cc1 ZINC000922149931 625973209 /nfs/dbraw/zinc/97/32/09/625973209.db2.gz OGYOKOFPLSHVHT-LBPRGKRZSA-N 1 0 298.342 3.381 20 5 CGBDRO CO[C@@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000839636613 626767802 /nfs/dbraw/zinc/76/78/02/626767802.db2.gz AVRNMKOWEGQJCG-BMIGLBTASA-N 1 0 296.342 3.027 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000758749266 626858558 /nfs/dbraw/zinc/85/85/58/626858558.db2.gz VJMPPIWKQIIMJI-AWEZNQCLSA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCC[C@H]1C ZINC000766273469 627310834 /nfs/dbraw/zinc/31/08/34/627310834.db2.gz PPHZYMSGNCOGLB-ZIAGYGMSSA-N 1 0 291.395 3.038 20 5 CGBDRO CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776584672 628220930 /nfs/dbraw/zinc/22/09/30/628220930.db2.gz OHDNWDUFFNYKLU-HZPDHXFCSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)cc1Cl ZINC000783571374 628727045 /nfs/dbraw/zinc/72/70/45/628727045.db2.gz BDWQFIIPUNMAQH-LBPRGKRZSA-N 1 0 280.755 3.480 20 5 CGBDRO Cc1c(C[NH2+]C(C)(C)C2CCOCC2)cccc1[N+](=O)[O-] ZINC000786148525 628916355 /nfs/dbraw/zinc/91/63/55/628916355.db2.gz JEJUPABWGFZRIR-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO CCC(C)(C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788786633 629082150 /nfs/dbraw/zinc/08/21/50/629082150.db2.gz WUOFJLVEHOSKNB-JTQLQIEISA-N 1 0 265.357 3.264 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)Cc2ccncc2)cccc1[N+](=O)[O-] ZINC000790696548 629225344 /nfs/dbraw/zinc/22/53/44/629225344.db2.gz TZXMSZYVNNCBKK-GFCCVEGCSA-N 1 0 285.347 3.019 20 5 CGBDRO CC1=CCC[N@H+](Cn2cc(-c3ccc([N+](=O)[O-])cc3)cn2)C1 ZINC000797823182 629988399 /nfs/dbraw/zinc/98/83/99/629988399.db2.gz NCFZLPOLTZORTG-UHFFFAOYSA-N 1 0 298.346 3.068 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000797905991 630000815 /nfs/dbraw/zinc/00/08/15/630000815.db2.gz SGSNFDFIICOCRZ-ZIAGYGMSSA-N 1 0 260.337 3.181 20 5 CGBDRO Cc1cc(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000802658135 630403868 /nfs/dbraw/zinc/40/38/68/630403868.db2.gz LCQIMYHVORFOKG-UHFFFAOYSA-N 1 0 288.347 3.479 20 5 CGBDRO CCC(CC)[N@H+](CC)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000808782164 630677836 /nfs/dbraw/zinc/67/78/36/630677836.db2.gz IKDOCJMYOKKKPE-HNNXBMFYSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809702345 630786729 /nfs/dbraw/zinc/78/67/29/630786729.db2.gz FHERDOBCGONZBY-GZMMTYOYSA-N 1 0 286.784 3.089 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555868 631794179 /nfs/dbraw/zinc/79/41/79/631794179.db2.gz JIQASALJFMBRCQ-SNVBAGLBSA-N 1 0 289.310 3.167 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CC(F)(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616961 631806814 /nfs/dbraw/zinc/80/68/14/631806814.db2.gz BNWKXXLLBSJYJO-JGVFFNPUSA-N 1 0 291.273 3.169 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000819226550 632405975 /nfs/dbraw/zinc/40/59/75/632405975.db2.gz UAACGZVVOGMRNZ-HLSYRSCKSA-N 1 0 292.379 3.043 20 5 CGBDRO CSCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270541 633055534 /nfs/dbraw/zinc/05/55/34/633055534.db2.gz YEJVYKAMBXEDBP-SNVBAGLBSA-N 1 0 286.372 3.008 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CSC[C@H]1C ZINC000866360078 633099382 /nfs/dbraw/zinc/09/93/82/633099382.db2.gz XCSSFCZOLFJCKU-GIPNMCIBSA-N 1 0 298.383 3.006 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000866486499 633155814 /nfs/dbraw/zinc/15/58/14/633155814.db2.gz JHUDCVIFHKRGCC-IRUJWGPZSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCC23CCC3)cc1[N+](=O)[O-] ZINC000866541373 633184162 /nfs/dbraw/zinc/18/41/62/633184162.db2.gz ZNSREWLRVWPETF-AWEZNQCLSA-N 1 0 260.337 3.326 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2C=CCC2)cc1Cl ZINC000826941418 633445224 /nfs/dbraw/zinc/44/52/24/633445224.db2.gz JGUUFMWNXSSBAI-JTQLQIEISA-N 1 0 252.701 3.056 20 5 CGBDRO CC[N@H+](CCSC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000830999921 633909253 /nfs/dbraw/zinc/90/92/53/633909253.db2.gz ZCBKRARLVJGGKN-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033616 633951774 /nfs/dbraw/zinc/95/17/74/633951774.db2.gz CPTOWEOYWVGVEN-QMTHXVAHSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@@H]([NH2+]C1(C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872055882 633979051 /nfs/dbraw/zinc/97/90/51/633979051.db2.gz MYCXCPTXYBLKDE-SECBINFHSA-N 1 0 264.300 3.327 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081732 634006932 /nfs/dbraw/zinc/00/69/32/634006932.db2.gz JVVRKGJYZNNZOS-DMDPSCGWSA-N 1 0 298.358 3.182 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000872128378 634050190 /nfs/dbraw/zinc/05/01/90/634050190.db2.gz NOAAHDMHBLKGND-GZBFAFLISA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000872129854 634050935 /nfs/dbraw/zinc/05/09/35/634050935.db2.gz ZZZDSWRURZUCEC-YRGRVCCFSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H](C)c1ccncc1 ZINC000873069565 634241083 /nfs/dbraw/zinc/24/10/83/634241083.db2.gz KBZCTWLHCUWOKK-ZDUSSCGKSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H](C)F ZINC000873128563 634251956 /nfs/dbraw/zinc/25/19/56/634251956.db2.gz VGYRAKSDYARJSC-SNVBAGLBSA-N 1 0 254.305 3.049 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885677 634266501 /nfs/dbraw/zinc/26/65/01/634266501.db2.gz LVZZIIFKMXTVMF-KOLCDFICSA-N 1 0 299.321 3.263 20 5 CGBDRO CCCC[C@@H](CC)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876889089 634921640 /nfs/dbraw/zinc/92/16/40/634921640.db2.gz YJPOSTWEBCCMAI-IYXRBSQSSA-N 1 0 294.399 3.301 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C(C)(C)O)CC1 ZINC000879626377 635821469 /nfs/dbraw/zinc/82/14/69/635821469.db2.gz JROZSUQVJDEKIR-LBPRGKRZSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@@H]1CCCOC1 ZINC000880465172 636005925 /nfs/dbraw/zinc/00/59/25/636005925.db2.gz BAKHPUIYLYXYNA-DOMZBBRYSA-N 1 0 296.342 3.029 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880469146 636006720 /nfs/dbraw/zinc/00/67/20/636006720.db2.gz FVBCBRUIFWBBSR-GXTWGEPZSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H]([NH2+]CC1(Br)CC1)c1ccccc1[N+](=O)[O-] ZINC000846850799 636259390 /nfs/dbraw/zinc/25/93/90/636259390.db2.gz SLEAUHSNQIGCBX-VIFPVBQESA-N 1 0 299.168 3.173 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C=CCC1 ZINC000883245434 636613806 /nfs/dbraw/zinc/61/38/06/636613806.db2.gz LKJVZKBBLSOJTD-RYUDHWBXSA-N 1 0 278.327 3.221 20 5 CGBDRO CCC[C@@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000883321189 636672691 /nfs/dbraw/zinc/67/26/91/636672691.db2.gz QUYIAVDCQNPVNV-IVMMDQJWSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)[C@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850557645 637121251 /nfs/dbraw/zinc/12/12/51/637121251.db2.gz OFRUXWWZFOCZPH-BONVTDFDSA-N 1 0 277.368 3.262 20 5 CGBDRO CC(C)[C@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850557643 637121859 /nfs/dbraw/zinc/12/18/59/637121859.db2.gz OFRUXWWZFOCZPH-BMIGLBTASA-N 1 0 277.368 3.262 20 5 CGBDRO C[N@H+](CCCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885953756 637329404 /nfs/dbraw/zinc/32/94/04/637329404.db2.gz FGSDMEREHUKSHZ-UHFFFAOYSA-N 1 0 285.347 3.054 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000886001581 637351148 /nfs/dbraw/zinc/35/11/48/637351148.db2.gz DDEVKGBYGQUWCM-CABCVRRESA-N 1 0 292.379 3.075 20 5 CGBDRO CCS[C@H]1CC[C@@H]([N@H+](C)Cc2cccnc2[N+](=O)[O-])C1 ZINC000886027284 637374129 /nfs/dbraw/zinc/37/41/29/637374129.db2.gz CZNARKREJSMENJ-OLZOCXBDSA-N 1 0 295.408 3.096 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000886049652 637388299 /nfs/dbraw/zinc/38/82/99/637388299.db2.gz RBFQQVPQKILDLW-GOEBONIOSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@H](C)c1ccccc1 ZINC000886114170 637420952 /nfs/dbraw/zinc/42/09/52/637420952.db2.gz IRZLKHXWTJKZLL-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO CC(C)[N@@H+](Cc1cccnc1[N+](=O)[O-])CC1CCC1 ZINC000886173010 637447639 /nfs/dbraw/zinc/44/76/39/637447639.db2.gz CHKXIWIYGQIOAT-UHFFFAOYSA-N 1 0 263.341 3.000 20 5 CGBDRO CCC(CC)[N@H+](CC)Cc1cccnc1[N+](=O)[O-] ZINC000886208151 637459204 /nfs/dbraw/zinc/45/92/04/637459204.db2.gz XNOVYVQLCQVBRZ-UHFFFAOYSA-N 1 0 251.330 3.000 20 5 CGBDRO CCC[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C(C)(C)C ZINC000886228717 637464579 /nfs/dbraw/zinc/46/45/79/637464579.db2.gz DZAIBAHVZLDUNA-LBPRGKRZSA-N 1 0 265.357 3.294 20 5 CGBDRO Cc1ccccc1C1([NH2+]Cc2cccnc2[N+](=O)[O-])CCC1 ZINC000886267111 637472790 /nfs/dbraw/zinc/47/27/90/637472790.db2.gz GEEHTJZKMBALCU-UHFFFAOYSA-N 1 0 297.358 3.467 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000300580877 637846145 /nfs/dbraw/zinc/84/61/45/637846145.db2.gz ULIPLTUFGMBSCW-INWMFGNUSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC([NH3+])(CC)CC1 ZINC000925757636 638599952 /nfs/dbraw/zinc/59/99/52/638599952.db2.gz VBSNICALWPMFCW-HNNXBMFYSA-N 1 0 291.395 3.249 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCS[C@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000927027134 638833559 /nfs/dbraw/zinc/83/35/59/638833559.db2.gz HKTXCBFCKPJUFK-CKYFFXLPSA-N 1 0 295.408 3.112 20 5 CGBDRO COC[C@H](C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000927096051 638841195 /nfs/dbraw/zinc/84/11/95/638841195.db2.gz SSNVERLGMKXYFQ-NEPJUHHUSA-N 1 0 298.358 3.303 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000930208460 638982999 /nfs/dbraw/zinc/98/29/99/638982999.db2.gz QFQIHORSBSOSNE-RQJABVFESA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1cc(C)nc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000932176684 639288059 /nfs/dbraw/zinc/28/80/59/639288059.db2.gz MFMRRNLJJLGHTP-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ccc(C[NH2+]CCSC(F)(F)F)cc1[N+](=O)[O-] ZINC000194069585 640509686 /nfs/dbraw/zinc/50/96/86/640509686.db2.gz WHAGBZGKTUATQA-UHFFFAOYSA-N 1 0 294.298 3.246 20 5 CGBDRO CCC[C@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246270303 640668111 /nfs/dbraw/zinc/66/81/11/640668111.db2.gz MHJAWTWHFMMSSM-XJKSGUPXSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)CC[NH2+]C2 ZINC001159600048 806127611 /nfs/dbraw/zinc/12/76/11/806127611.db2.gz DYUORHSDKLSEIC-UHFFFAOYSA-N 1 0 283.331 3.293 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001159682441 806149625 /nfs/dbraw/zinc/14/96/25/806149625.db2.gz XGOLCNJQLGAVGU-UHFFFAOYSA-N 1 0 297.358 3.335 20 5 CGBDRO CC[NH2+]Cc1cccc(Nc2cc(O)cc([N+](=O)[O-])c2)c1 ZINC001159955972 806204665 /nfs/dbraw/zinc/20/46/65/806204665.db2.gz BRAPXIUGEGCUDH-UHFFFAOYSA-N 1 0 287.319 3.154 20 5 CGBDRO [NH3+]CCc1ccccc1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001159999851 806210661 /nfs/dbraw/zinc/21/06/61/806210661.db2.gz OLDCAKWRZRLBED-UHFFFAOYSA-N 1 0 291.738 3.493 20 5 CGBDRO Cc1nc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC001254534030 806444239 /nfs/dbraw/zinc/44/42/39/806444239.db2.gz RTWVKAXUICXRGF-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)c1cccnc1 ZINC001254532217 806445159 /nfs/dbraw/zinc/44/51/59/806445159.db2.gz KXGSBCLXCVXRMQ-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC001254538098 806446333 /nfs/dbraw/zinc/44/63/33/806446333.db2.gz OSYGNXAVWRSQHO-WDEREUQCSA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001254551130 806448150 /nfs/dbraw/zinc/44/81/50/806448150.db2.gz YQSOYHBWLRPUTF-ZDUSSCGKSA-N 1 0 262.353 3.402 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CF)C1 ZINC001254563294 806451479 /nfs/dbraw/zinc/45/14/79/806451479.db2.gz WEMZUXNIHUEZFH-QWHCGFSZSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567406 806452742 /nfs/dbraw/zinc/45/27/42/806452742.db2.gz NFGSIRSYXDXHRC-UGFHNGPFSA-N 1 0 274.364 3.230 20 5 CGBDRO Cc1cccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1C ZINC001254572048 806454321 /nfs/dbraw/zinc/45/43/21/806454321.db2.gz HBCXJFPBIMTVSD-KRWDZBQOSA-N 1 0 296.370 3.469 20 5 CGBDRO CC(C)C[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254580754 806455860 /nfs/dbraw/zinc/45/58/60/806455860.db2.gz FMIVFRHKCNKVLW-SMDDNHRTSA-N 1 0 262.353 3.086 20 5 CGBDRO C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@@H]1C ZINC001254595982 806457319 /nfs/dbraw/zinc/45/73/19/806457319.db2.gz ASPJBHTVGXNUED-IGCXYCKISA-N 1 0 288.391 3.430 20 5 CGBDRO C[C@@H]1CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC001254600772 806458889 /nfs/dbraw/zinc/45/88/89/806458889.db2.gz RJBAZHQLQMXYSB-XHBSWPGZSA-N 1 0 274.364 3.182 20 5 CGBDRO C[N@H+](Cc1ccsc1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254604893 806460572 /nfs/dbraw/zinc/46/05/72/806460572.db2.gz YENHCIPYVXQIPD-HNNXBMFYSA-N 1 0 288.372 3.256 20 5 CGBDRO CC(C)(C)c1ccc(NC[C@@H]2C[C@H](F)C[NH2+]2)c([N+](=O)[O-])c1 ZINC001162477178 806594203 /nfs/dbraw/zinc/59/42/03/806594203.db2.gz FJVHNJWNYDAOHD-RYUDHWBXSA-N 1 0 295.358 3.004 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000036993458 798854105 /nfs/dbraw/zinc/85/41/05/798854105.db2.gz COWBOQXWHIPRDP-NWDGAFQWSA-N 1 0 274.320 3.470 20 5 CGBDRO CCCC(C[NH3+])(CCC)Nc1ncc(C)cc1[N+](=O)[O-] ZINC001163036089 806695134 /nfs/dbraw/zinc/69/51/34/806695134.db2.gz UKZNFQCUYKHZIJ-UHFFFAOYSA-N 1 0 280.372 3.008 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccc([N+](=O)[O-])cc1 ZINC000453222335 799635426 /nfs/dbraw/zinc/63/54/26/799635426.db2.gz LJSQZTPEHHOFOP-IINYFYTJSA-N 1 0 286.335 3.046 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1cc(C)ccc1[N+](=O)[O-] ZINC001163424175 806762543 /nfs/dbraw/zinc/76/25/43/806762543.db2.gz WLQTZUUMLHOCKW-CYBMUJFWSA-N 1 0 279.384 3.436 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000701049134 799884344 /nfs/dbraw/zinc/88/43/44/799884344.db2.gz DTDLTHQJYZYCHB-QOBXEIRBSA-N 1 0 298.770 3.150 20 5 CGBDRO CSC1CC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000708258474 799984278 /nfs/dbraw/zinc/98/42/78/799984278.db2.gz PFWRHLUXUDVTPU-CBZQXFMTSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[N@@H+]1CC[C@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000712551650 800093170 /nfs/dbraw/zinc/09/31/70/800093170.db2.gz YYZFELWLMNOWLB-JTQLQIEISA-N 1 0 285.294 3.039 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC001163710739 806805218 /nfs/dbraw/zinc/80/52/18/806805218.db2.gz HWYLWKDHXWQDJJ-LLVKDONJSA-N 1 0 295.358 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@H]2CC[N@@H+]2Cc2ccccc2)cc1 ZINC000715612851 800141040 /nfs/dbraw/zinc/14/10/40/800141040.db2.gz JUMKVUWPZNYOQR-QGZVFWFLSA-N 1 0 297.358 3.281 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716672319 800178925 /nfs/dbraw/zinc/17/89/25/800178925.db2.gz RMYDAWRVBOLANY-SHPPOPEUSA-N 1 0 274.364 3.019 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000720259563 800254945 /nfs/dbraw/zinc/25/49/45/800254945.db2.gz SMTOCIXEPPOUET-NEPJUHHUSA-N 1 0 280.368 3.367 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000720232648 800255093 /nfs/dbraw/zinc/25/50/93/800255093.db2.gz YUCBOBJWOYXKMV-VIFPVBQESA-N 1 0 286.759 3.151 20 5 CGBDRO [NH3+]Cc1cnccc1-c1ccc2ccc3cccnc3c2n1 ZINC001245558015 803812813 /nfs/dbraw/zinc/81/28/13/803812813.db2.gz QCLDCDXHCSFBRU-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO Cc1cccc(NCC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001165278416 806984807 /nfs/dbraw/zinc/98/48/07/806984807.db2.gz GSHGYAZMGOSOQS-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165300347 806990694 /nfs/dbraw/zinc/99/06/94/806990694.db2.gz MIQAVSLWVMORHM-LBPRGKRZSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1cccc([C@@H]2CCCC[N@@H+]2CC[N+](=O)[O-])c1C ZINC001167490916 807199453 /nfs/dbraw/zinc/19/94/53/807199453.db2.gz JVYDDNOXRVWGLJ-HNNXBMFYSA-N 1 0 262.353 3.107 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NCC(C)(C)C[NH+](C)C ZINC001168769713 807508597 /nfs/dbraw/zinc/50/85/97/807508597.db2.gz XOSDQXZADHVJAA-UHFFFAOYSA-N 1 0 283.347 3.042 20 5 CGBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960787 807541326 /nfs/dbraw/zinc/54/13/26/807541326.db2.gz HCIGGWDSRFJOJJ-DZGCQCFKSA-N 1 0 287.363 3.026 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccc(Cl)cc3)CC2)C1 ZINC001168956792 807541701 /nfs/dbraw/zinc/54/17/01/807541701.db2.gz FLMUMWRYNOFWBG-FZMZJTMJSA-N 1 0 294.782 3.364 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001168967344 807542406 /nfs/dbraw/zinc/54/24/06/807542406.db2.gz OWLCFCMBTQEKOW-WNYYMSAVSA-N 1 0 294.317 3.143 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(F)cc2Cl)C1 ZINC001168967369 807542495 /nfs/dbraw/zinc/54/24/95/807542495.db2.gz PBOPYGYTTKFBQD-JOYOIKCWSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001168966187 807542985 /nfs/dbraw/zinc/54/29/85/807542985.db2.gz GYQJIMSVWCLMHZ-GHMZBOCLSA-N 1 0 286.734 3.014 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001168972881 807543494 /nfs/dbraw/zinc/54/34/94/807543494.db2.gz BWZQFIRYLNTICU-WBIUFABUSA-N 1 0 298.333 3.451 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2c(F)cccc2Cl)C1 ZINC001168968431 807544219 /nfs/dbraw/zinc/54/42/19/807544219.db2.gz ZAJJIDXRDGIEOI-VHSXEESVSA-N 1 0 286.734 3.014 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977330 807545266 /nfs/dbraw/zinc/54/52/66/807545266.db2.gz AHMLDAOKADBEEE-IPYPFGDCSA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001168979465 807545974 /nfs/dbraw/zinc/54/59/74/807545974.db2.gz YGVYUJATQDMWKY-CABZTGNLSA-N 1 0 286.734 3.014 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983342 807547086 /nfs/dbraw/zinc/54/70/86/807547086.db2.gz JLYJDVBUYQBLRZ-DFBGVHRSSA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCc3ccccc32)C1 ZINC001169006983 807551791 /nfs/dbraw/zinc/55/17/91/807551791.db2.gz ZZSKGRDNCSVADE-VNQPRFMTSA-N 1 0 288.391 3.142 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001169039044 807556910 /nfs/dbraw/zinc/55/69/10/807556910.db2.gz MTSWSTPWLSOXCC-VNQPRFMTSA-N 1 0 280.412 3.334 20 5 CGBDRO COc1ccccc1[C@H](C)[N@H+](C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040230 807557237 /nfs/dbraw/zinc/55/72/37/807557237.db2.gz YYXRHIZATBCQMR-MJBXVCDLSA-N 1 0 292.379 3.133 20 5 CGBDRO COc1ccc([C@H](C)[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169039511 807557351 /nfs/dbraw/zinc/55/73/51/807557351.db2.gz QMFRGAJDGUMRAZ-GUTXKFCHSA-N 1 0 292.379 3.133 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038757 807557403 /nfs/dbraw/zinc/55/74/03/807557403.db2.gz KIEUTRUKSITTSB-JQWIXIFHSA-N 1 0 280.755 3.101 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039929 807557935 /nfs/dbraw/zinc/55/79/35/807557935.db2.gz VXJYWEMIROZTON-YOEHRIQHSA-N 1 0 286.375 3.221 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC001261263598 807726418 /nfs/dbraw/zinc/72/64/18/807726418.db2.gz MVHIXNCJYRBLCN-UHFFFAOYSA-N 1 0 250.342 3.258 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]C2CCCCC2)c([N+](=O)[O-])c1 ZINC001170296116 807817532 /nfs/dbraw/zinc/81/75/32/807817532.db2.gz ZQILFBDOHVSWJY-LBPRGKRZSA-N 1 0 292.379 3.457 20 5 CGBDRO CC[N@H+](C(C)C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170326635 807825825 /nfs/dbraw/zinc/82/58/25/807825825.db2.gz AWQYZTVAMMUAGZ-LBPRGKRZSA-N 1 0 280.368 3.265 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC23CCC3)c([N+](=O)[O-])c1 ZINC001170324575 807826657 /nfs/dbraw/zinc/82/66/57/807826657.db2.gz RBAFXMKQFRWATO-IAQYHMDHSA-N 1 0 290.363 3.067 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@H+](C)CC2CCC2)c([N+](=O)[O-])c1 ZINC001170348462 807828531 /nfs/dbraw/zinc/82/85/31/807828531.db2.gz XESOUIIJBUPVKS-GFCCVEGCSA-N 1 0 292.379 3.266 20 5 CGBDRO C[NH+]1C(C)(C)CC(Nc2ncccc2[N+](=O)[O-])CC1(C)C ZINC001170450951 807845799 /nfs/dbraw/zinc/84/57/99/807845799.db2.gz PKWQIDRJJXCTAP-UHFFFAOYSA-N 1 0 292.383 3.053 20 5 CGBDRO CC(C)([NH3+])CNc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001171193466 808005269 /nfs/dbraw/zinc/00/52/69/808005269.db2.gz YMAUDWSDKNPBPN-UHFFFAOYSA-N 1 0 285.347 3.411 20 5 CGBDRO CCCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895986 808475161 /nfs/dbraw/zinc/47/51/61/808475161.db2.gz KJBFBELQNBJFQG-CQSZACIVSA-N 1 0 262.353 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1(F)CCC1)CC2 ZINC001172907027 808476293 /nfs/dbraw/zinc/47/62/93/808476293.db2.gz ZXLKTWPJMROZLL-CQSZACIVSA-N 1 0 292.354 3.324 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CCC1CC1)CC2 ZINC001172902496 808476324 /nfs/dbraw/zinc/47/63/24/808476324.db2.gz YUSYSAYGDBHEHX-HNNXBMFYSA-N 1 0 274.364 3.232 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)CC2CC2)c1F ZINC001173184156 808532988 /nfs/dbraw/zinc/53/29/88/808532988.db2.gz LQHISWYEMFYUDA-SNVBAGLBSA-N 1 0 296.342 3.015 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173184074 808533019 /nfs/dbraw/zinc/53/30/19/808533019.db2.gz CQOQMIYPJSXDFG-WDEREUQCSA-N 1 0 298.358 3.404 20 5 CGBDRO CC[N@H+]([C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173184401 808533917 /nfs/dbraw/zinc/53/39/17/808533917.db2.gz MKQNIBQKVJMRSV-SNVBAGLBSA-N 1 0 296.342 3.158 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(c2ccccn2)CC1 ZINC001173219140 808539723 /nfs/dbraw/zinc/53/97/23/808539723.db2.gz XKWXRZOQYYBDNI-CYBMUJFWSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCOC1CCCC1 ZINC001173220270 808539837 /nfs/dbraw/zinc/53/98/37/808539837.db2.gz XCODLKZHYDPTKR-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC001173221505 808539975 /nfs/dbraw/zinc/53/99/75/808539975.db2.gz JEZSWQUQDHKBBB-YUELXQCFSA-N 1 0 274.364 3.258 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccnc1 ZINC001173234037 808542846 /nfs/dbraw/zinc/54/28/46/808542846.db2.gz OVFCLTPMBXDDGF-AWEZNQCLSA-N 1 0 299.374 3.095 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccccn1 ZINC001173230522 808543313 /nfs/dbraw/zinc/54/33/13/808543313.db2.gz YQGQNGZLZPQYCD-CQSZACIVSA-N 1 0 299.374 3.095 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2occc2C1 ZINC001173234235 808543554 /nfs/dbraw/zinc/54/35/54/808543554.db2.gz QGSBNWQNZHUDGZ-LBPRGKRZSA-N 1 0 286.331 3.177 20 5 CGBDRO C[C@@H]([NH2+]C[Si](C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001176029371 809604176 /nfs/dbraw/zinc/60/41/76/809604176.db2.gz UJZYIDHBIVHNIO-SNVBAGLBSA-N 1 0 252.390 3.123 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)nc1 ZINC001179028149 809900486 /nfs/dbraw/zinc/90/04/86/809900486.db2.gz MEIBZXJYDUCINM-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC001183144863 810138241 /nfs/dbraw/zinc/13/82/41/810138241.db2.gz DBXFRFHLEPHHQL-MRVWCRGKSA-N 1 0 294.420 3.400 20 5 CGBDRO C[C@@H]1C[C@H]1[C@@H]1C[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001183885520 810166747 /nfs/dbraw/zinc/16/67/47/810166747.db2.gz KBCRPRAFKRAICJ-GMTLJSCSSA-N 1 0 280.755 3.382 20 5 CGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC001184998933 810228300 /nfs/dbraw/zinc/22/83/00/810228300.db2.gz IYEIVZXQBCAJLW-GRYCIOLGSA-N 1 0 297.424 3.435 20 5 CGBDRO O=[N+]([O-])c1cc(Nc2ccnn2-c2cc[nH+]cc2)ccc1F ZINC001211191342 814844514 /nfs/dbraw/zinc/84/45/14/814844514.db2.gz SKRDKYZXNMSMME-UHFFFAOYSA-N 1 0 299.265 3.058 20 5 CGBDRO C[C@@H](Oc1cc(Cl)cc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC001218003268 816045491 /nfs/dbraw/zinc/04/54/91/816045491.db2.gz QSKFWMXUCVIDFP-SECBINFHSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1C[C@@H](Oc2cccc3nc4ccccc4nc32)CC[NH2+]1 ZINC001218055019 816078116 /nfs/dbraw/zinc/07/81/16/816078116.db2.gz GVEKRGZNEYVNMM-STQMWFEESA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc(O[C@H]2CCC[C@@]23CC[NH2+]C3)cc(C)c1[N+](=O)[O-] ZINC001218090929 816092201 /nfs/dbraw/zinc/09/22/01/816092201.db2.gz JDLLBJPCFLEQFG-HOCLYGCPSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001218145697 816114549 /nfs/dbraw/zinc/11/45/49/816114549.db2.gz ANWXONHKVLFVJL-BIGNPOOSSA-N 1 0 296.754 3.015 20 5 CGBDRO Cc1cc(O[C@@H]2C[C@@H]3CC[NH2+][C@H]3C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218247983 816140206 /nfs/dbraw/zinc/14/02/06/816140206.db2.gz FLBGALMHPWAUOA-MJBXVCDLSA-N 1 0 290.363 3.039 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(OC2CCC3(C[NH2+]C3)CC2)c1 ZINC001218263847 816145331 /nfs/dbraw/zinc/14/53/31/816145331.db2.gz MDNMQSFXJHYDIZ-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218308985 816160638 /nfs/dbraw/zinc/16/06/38/816160638.db2.gz LGCUPERUACKRPC-GFCCVEGCSA-N 1 0 296.754 3.302 20 5 CGBDRO C[C@@H]1CC[C@@H](Oc2ccnc3c2ccc2cccnc23)C[NH2+]1 ZINC001218405890 816198550 /nfs/dbraw/zinc/19/85/50/816198550.db2.gz HMENUEIQSCIIPH-TZMCWYRMSA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc(O[C@H]2C[NH2+]CCC23CC3)c(C)c(C)c1[N+](=O)[O-] ZINC001218409158 816200565 /nfs/dbraw/zinc/20/05/65/816200565.db2.gz RJLJMQBDEQMPRX-AWEZNQCLSA-N 1 0 290.363 3.041 20 5 CGBDRO Cc1cc(O[C@H]2C[NH2+]Cc3ccccc32)cc(C)c1[N+](=O)[O-] ZINC001218491872 816244769 /nfs/dbraw/zinc/24/47/69/816244769.db2.gz XHIJICQDQBRABZ-INIZCTEOSA-N 1 0 298.342 3.435 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1cccc2c1CCCC2 ZINC001223785462 816682796 /nfs/dbraw/zinc/68/27/96/816682796.db2.gz ITYUCLHVQSFUEP-AWEZNQCLSA-N 1 0 262.417 3.177 20 5 CGBDRO CC1(C)[C@H](OCCC[N+](C)(C)C)[C@]2(C)CC[C@H]1C2 ZINC001224624810 816835664 /nfs/dbraw/zinc/83/56/64/816835664.db2.gz ZPBRYUHIKKUGEE-OFQRWUPVSA-N 1 0 254.438 3.314 20 5 CGBDRO C[N+](C)(C)CCOC1c2ccccc2-c2ccccc21 ZINC001224776489 816879587 /nfs/dbraw/zinc/87/95/87/816879587.db2.gz WJPNYWOHTUIYCM-UHFFFAOYSA-N 1 0 268.380 3.479 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(C(F)(F)F)cc1 ZINC001225260626 816985023 /nfs/dbraw/zinc/98/50/23/816985023.db2.gz SNOSBPJMVLOCLI-SNVBAGLBSA-N 1 0 262.295 3.179 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ncc(C(F)(F)F)cc1Cl ZINC001225863978 817197494 /nfs/dbraw/zinc/19/74/94/817197494.db2.gz SKDXIYIHMJSGLV-QMMMGPOBSA-N 1 0 297.728 3.227 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226762348 817456693 /nfs/dbraw/zinc/45/66/93/817456693.db2.gz RBESNICQFTUDCQ-UMSPYCQHSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1OC1CC[NH+](C(C)C)CC1 ZINC001226996971 817529840 /nfs/dbraw/zinc/52/98/40/817529840.db2.gz SYYJUZJQZFYNJA-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1OC1CCC([NH+](C)C)CC1 ZINC001226997682 817530638 /nfs/dbraw/zinc/53/06/38/817530638.db2.gz YWJFEZSFYYOEGD-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)nc2ccccc12 ZINC001227049129 817543222 /nfs/dbraw/zinc/54/32/22/817543222.db2.gz OAJKTLWOEZTDPA-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccc(O)cc2c1 ZINC001227456153 817654142 /nfs/dbraw/zinc/65/41/42/817654142.db2.gz YDWIHKPSBDZIBI-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c(O)cc1Cl ZINC001227644921 817687070 /nfs/dbraw/zinc/68/70/70/817687070.db2.gz DNEIGTVABMUKKY-MRVPVSSYSA-O 1 0 279.187 3.173 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1c(Cl)cccc1[N+](=O)[O-])C2 ZINC001228001906 817779667 /nfs/dbraw/zinc/77/96/67/817779667.db2.gz FEJJXSHOBNTLSS-URLYPYJESA-N 1 0 296.754 3.252 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)cc2ccccc21 ZINC001228264156 817855431 /nfs/dbraw/zinc/85/54/31/817855431.db2.gz VFTLJCGJNFNPOJ-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2nc3ccccc3nc2c1 ZINC001228741106 817995738 /nfs/dbraw/zinc/99/57/38/817995738.db2.gz PVZZSNHVCPKLPB-ZDUSSCGKSA-N 1 0 296.394 3.257 20 5 CGBDRO C[NH+]1C(C)(C)CC(Oc2cnccc2[N+](=O)[O-])CC1(C)C ZINC001228881514 818032224 /nfs/dbraw/zinc/03/22/24/818032224.db2.gz FVQPQBFGDHMSDV-UHFFFAOYSA-N 1 0 293.367 3.020 20 5 CGBDRO CC(=O)c1ccc2c(c1O[C@@H](C)C[N+](C)(C)C)CCCC2 ZINC001233546623 818637451 /nfs/dbraw/zinc/63/74/51/818637451.db2.gz IXZPUQONHOSTMQ-ZDUSSCGKSA-N 1 0 290.427 3.242 20 5 CGBDRO CCOc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001233648466 818668888 /nfs/dbraw/zinc/66/88/88/818668888.db2.gz SNMKOOJNJCQHEN-NSHDSACASA-N 1 0 272.796 3.212 20 5 CGBDRO Cc1cc(O[C@H](C)C[N+](C)(C)C)ccc1OC(C)C ZINC001234285174 818826388 /nfs/dbraw/zinc/82/63/88/818826388.db2.gz FPKUBHQUIJAWFM-CQSZACIVSA-N 1 0 266.405 3.256 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2nc(Cl)sc21 ZINC001234491573 818866283 /nfs/dbraw/zinc/86/62/83/818866283.db2.gz RNCKWIFMEHBYON-SECBINFHSA-N 1 0 285.820 3.423 20 5 CGBDRO C[C@@H](CCc1ccccc1)OCCC[N+](C)(C)C ZINC001224621489 927437561 /nfs/dbraw/zinc/43/75/61/927437561.db2.gz VNJJSPQNMSKAAC-HNNXBMFYSA-N 1 0 250.406 3.121 20 5 CGBDRO CC(C)[C@H]1CN(c2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC001458545394 937468037 /nfs/dbraw/zinc/46/80/37/937468037.db2.gz KXGRBVDIJAXVOV-CQSZACIVSA-N 1 0 297.786 3.025 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@H]1C ZINC001459983908 937509161 /nfs/dbraw/zinc/50/91/61/937509161.db2.gz LVMSSBBQJGLLOE-QWRGUYRKSA-N 1 0 288.351 3.092 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229380802 932142470 /nfs/dbraw/zinc/14/24/70/932142470.db2.gz PBFWVNIRTOXUDH-HAQNSBGRSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(C)c1[N+](=O)[O-] ZINC001229465851 932156162 /nfs/dbraw/zinc/15/61/62/932156162.db2.gz GHDYBQMQFTUVGJ-AGGWBTHJSA-N 1 0 290.363 3.216 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622152 932600317 /nfs/dbraw/zinc/60/03/17/932600317.db2.gz HULCLMBWAGSRFI-CYBMUJFWSA-N 1 0 286.331 3.221 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(-c2ccccc2)n1 ZINC001230943864 932646698 /nfs/dbraw/zinc/64/66/98/932646698.db2.gz OSKPFLQLDXHFQM-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CN(C(C)(C)C)C1 ZINC001231061248 932668170 /nfs/dbraw/zinc/66/81/70/932668170.db2.gz SZUVYWCVNSDNDY-UHFFFAOYSA-N 1 0 278.352 3.073 20 5 CGBDRO CC[C@H](C)[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221886 937626221 /nfs/dbraw/zinc/62/62/21/937626221.db2.gz WMNLXIUKIIQDNG-BBRMVZONSA-N 1 0 294.395 3.130 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001307139453 932768270 /nfs/dbraw/zinc/76/82/70/932768270.db2.gz IGZOFTPQFHIPOV-LBPRGKRZSA-N 1 0 297.786 3.167 20 5 CGBDRO Cc1cc(Nc2ccc3[nH+]ccn3c2)ccc1[N+](=O)[O-] ZINC001307171099 932774395 /nfs/dbraw/zinc/77/43/95/932774395.db2.gz KSRHTOCMVVNWSH-UHFFFAOYSA-N 1 0 268.276 3.295 20 5 CGBDRO Cc1ccc(N2CC[NH2+][C@@H](c3ccccc3)C2)c([N+](=O)[O-])c1 ZINC001307214749 932930159 /nfs/dbraw/zinc/93/01/59/932930159.db2.gz RVDGOLXPRCWMDT-OAHLLOKOSA-N 1 0 297.358 3.054 20 5 CGBDRO CC(C)[C@@H](O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC001307431364 932951242 /nfs/dbraw/zinc/95/12/42/932951242.db2.gz XRSMULYWTXCXRX-INIZCTEOSA-N 1 0 294.395 3.212 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1cccc([N+](=O)[O-])c1 ZINC001307633658 932979136 /nfs/dbraw/zinc/97/91/36/932979136.db2.gz IYIRBTMQFSFWMD-NUEKZKHPSA-N 1 0 290.363 3.062 20 5 CGBDRO CC(C)CCCC[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1 ZINC001308903779 933200520 /nfs/dbraw/zinc/20/05/20/933200520.db2.gz YPEUAWRWPBSOMG-INIZCTEOSA-N 1 0 294.395 3.218 20 5 CGBDRO CCCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001319846803 933944432 /nfs/dbraw/zinc/94/44/32/933944432.db2.gz XKXFHSNDLJSQQM-INIZCTEOSA-N 1 0 292.379 3.140 20 5 CGBDRO CCCC[N@H+](CC[N+](=O)[O-])[C@@H](C)c1ccccc1 ZINC001473182110 937795858 /nfs/dbraw/zinc/79/58/58/937795858.db2.gz VEMJWBPVPSOBIV-ZDUSSCGKSA-N 1 0 250.342 3.126 20 5 CGBDRO C=C/C=C\CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001473217731 937798244 /nfs/dbraw/zinc/79/82/44/937798244.db2.gz KEPMNPDVCLSJOW-ARJAWSKDSA-N 1 0 258.321 3.085 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCCC[C@H]1CCCc1ccccc1 ZINC001473298916 937801033 /nfs/dbraw/zinc/80/10/33/937801033.db2.gz CJIQQACKUBXKGV-INIZCTEOSA-N 1 0 276.380 3.141 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001473402601 937804984 /nfs/dbraw/zinc/80/49/84/937804984.db2.gz LMBLDNKRLOCEAR-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1Oc2ccccc2[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC001474558043 937867075 /nfs/dbraw/zinc/86/70/75/937867075.db2.gz PFIOXMXVWGZHCT-YVEFUNNKSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1C[C@@H]2CCC[C@H]12)c1ccccc1[N+](=O)[O-] ZINC001561027180 938290353 /nfs/dbraw/zinc/29/03/53/938290353.db2.gz XRKATGHJWDFNDL-NZBPQXDJSA-N 1 0 274.364 3.477 20 5 CGBDRO O=[N+]([O-])c1cccc(SCC[NH+]2CCCCC2)c1 ZINC000337751219 214245065 /nfs/dbraw/zinc/24/50/65/214245065.db2.gz JDJBEZQXJGJUQX-UHFFFAOYSA-N 1 0 266.366 3.173 20 5 CGBDRO COCC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000337941016 214322417 /nfs/dbraw/zinc/32/24/17/214322417.db2.gz FNUXEZRTBIUULB-AWEZNQCLSA-N 1 0 280.368 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000590972524 346892560 /nfs/dbraw/zinc/89/25/60/346892560.db2.gz ZOAYBIDMXJAJRM-UHOFOFEASA-N 1 0 290.363 3.142 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000590972523 346892590 /nfs/dbraw/zinc/89/25/90/346892590.db2.gz ZOAYBIDMXJAJRM-KCXAZCMYSA-N 1 0 290.363 3.142 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1C[C@@H]1C ZINC000414077904 529628117 /nfs/dbraw/zinc/62/81/17/529628117.db2.gz QHRVZJWLHHZHBT-UHTWSYAYSA-N 1 0 278.352 3.128 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178434243 529619264 /nfs/dbraw/zinc/61/92/64/529619264.db2.gz AZAUGNMLCOVMBP-CABCVRRESA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000295044800 199316653 /nfs/dbraw/zinc/31/66/53/199316653.db2.gz AFJZKFOGACLHQO-LWWSYDQCSA-N 1 0 278.352 3.201 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1CC1(C)C ZINC000426567528 529819953 /nfs/dbraw/zinc/81/99/53/529819953.db2.gz WJBQWLZUIFLFGN-OWNNVSBGSA-N 1 0 260.337 3.338 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592378740 346980824 /nfs/dbraw/zinc/98/08/24/346980824.db2.gz AHZSINLINHHKTH-IKHFIWMDSA-N 1 0 278.377 3.092 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000592397500 346984061 /nfs/dbraw/zinc/98/40/61/346984061.db2.gz MJZYMPJOMKGJDE-UBHSHLNASA-N 1 0 294.395 3.351 20 5 CGBDRO C[N@H+](CCCCNc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000413350679 529884367 /nfs/dbraw/zinc/88/43/67/529884367.db2.gz XQJKYYBTKQPCQV-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[NH+](C)CC1CCC(Nc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000128174421 187355544 /nfs/dbraw/zinc/35/55/44/187355544.db2.gz SVFXWGVXJIOXHS-UHFFFAOYSA-N 1 0 295.358 3.266 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[NH2+]C2(C3CCC3)CC2)cc1 ZINC000593081813 347036780 /nfs/dbraw/zinc/03/67/80/347036780.db2.gz RWGCDFIDSUEFHP-UHFFFAOYSA-N 1 0 290.363 3.286 20 5 CGBDRO CC[C@@H]1COC(C)(C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593056409 347033435 /nfs/dbraw/zinc/03/34/35/347033435.db2.gz IAHZXHYLXKLQHW-CQSZACIVSA-N 1 0 292.379 3.027 20 5 CGBDRO C[N@H+](CCc1ccccc1)CCc1cccc([N+](=O)[O-])c1 ZINC000032232507 344930244 /nfs/dbraw/zinc/93/02/44/344930244.db2.gz DALWIIPSKXSKHY-UHFFFAOYSA-N 1 0 284.359 3.312 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079367 344954726 /nfs/dbraw/zinc/95/47/26/344954726.db2.gz ISFLPBXTSAHYQQ-WFASDCNBSA-N 1 0 278.352 3.142 20 5 CGBDRO CCC[C@@H]([NH2+][C@H]1CCCN(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000040672592 344964989 /nfs/dbraw/zinc/96/49/89/344964989.db2.gz PGPOFPIAVZVFAK-GOEBONIOSA-N 1 0 291.395 3.120 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000054174668 345130186 /nfs/dbraw/zinc/13/01/86/345130186.db2.gz ABWOGGLQCQJJMA-UHFFFAOYSA-N 1 0 284.381 3.047 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000065537849 345273702 /nfs/dbraw/zinc/27/37/02/345273702.db2.gz PUDPJDFQBQUCFA-HNNXBMFYSA-N 1 0 278.352 3.094 20 5 CGBDRO CCCC[N@H+](CC)CCOc1cccc([N+](=O)[O-])c1 ZINC000071906149 345405798 /nfs/dbraw/zinc/40/57/98/345405798.db2.gz VGURPXCQRXIRJR-UHFFFAOYSA-N 1 0 266.341 3.096 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021393 345489671 /nfs/dbraw/zinc/48/96/71/345489671.db2.gz YNWYLLYADASUDL-KOLCDFICSA-N 1 0 254.355 3.277 20 5 CGBDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287808 345465486 /nfs/dbraw/zinc/46/54/86/345465486.db2.gz OJFRROQOVJAWAW-CVEARBPZSA-N 1 0 292.379 3.029 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083127487 345724510 /nfs/dbraw/zinc/72/45/10/345724510.db2.gz VWHSJJQCQCSAGI-JTQLQIEISA-N 1 0 275.308 3.110 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cccc1[N+](=O)[O-] ZINC000090085156 345780948 /nfs/dbraw/zinc/78/09/48/345780948.db2.gz RLNNMYKUAVEWKB-WCQYABFASA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccncc2C)cc1[N+](=O)[O-] ZINC000090846715 345795626 /nfs/dbraw/zinc/79/56/26/345795626.db2.gz OPICODRCHFNCHM-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090847431 345796300 /nfs/dbraw/zinc/79/63/00/345796300.db2.gz QCDBBXCYYUPLGV-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000090909900 345796935 /nfs/dbraw/zinc/79/69/35/345796935.db2.gz OPQJQOWWGFZPBJ-NSHDSACASA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000090909901 345797176 /nfs/dbraw/zinc/79/71/76/345797176.db2.gz OPQJQOWWGFZPBJ-LLVKDONJSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000173323478 232280358 /nfs/dbraw/zinc/28/03/58/232280358.db2.gz OXALDIYOOSIOSX-KGLIPLIRSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccnn1CC)c1cccc([N+](=O)[O-])c1 ZINC000119481570 345993272 /nfs/dbraw/zinc/99/32/72/345993272.db2.gz GEPQPPWFULVNOK-OAHLLOKOSA-N 1 0 288.351 3.052 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CCSC)cc1[N+](=O)[O-] ZINC000152576691 346142847 /nfs/dbraw/zinc/14/28/47/346142847.db2.gz SPJWZGRMLNTVLQ-SNVBAGLBSA-N 1 0 284.381 3.007 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)c1 ZINC000159682567 346168618 /nfs/dbraw/zinc/16/86/18/346168618.db2.gz IWCBOLWZCZZQPA-ZFWWWQNUSA-N 1 0 260.337 3.359 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000303486379 346444473 /nfs/dbraw/zinc/44/44/73/346444473.db2.gz RCCOTDPTNWHUGJ-CYBMUJFWSA-N 1 0 280.368 3.342 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1ccc([N+](=O)[O-])cc1F ZINC000314251526 535051230 /nfs/dbraw/zinc/05/12/30/535051230.db2.gz YKRAMKFNGHMBLH-UHFFFAOYSA-N 1 0 298.358 3.371 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593717443 347107475 /nfs/dbraw/zinc/10/74/75/347107475.db2.gz HGDNEZMAZJWGRC-VXGBXAGGSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]1CCC[N@@H+]1Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000119211060 370655620 /nfs/dbraw/zinc/65/56/20/370655620.db2.gz QXSXWRKFCLNWLF-NSHDSACASA-N 1 0 287.319 3.234 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000594591228 347196892 /nfs/dbraw/zinc/19/68/92/347196892.db2.gz IHSWEYQTJZTDSS-JGZJWPJOSA-N 1 0 283.759 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c(F)c1 ZINC000594597644 347199461 /nfs/dbraw/zinc/19/94/61/347199461.db2.gz DHSPMVYRWPMYGV-HUUCEWRRSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cs1 ZINC000594508929 347182287 /nfs/dbraw/zinc/18/22/87/347182287.db2.gz DSUPTZIDDSXXTL-OCCSQVGLSA-N 1 0 296.392 3.094 20 5 CGBDRO CCC[C@@H]([NH2+]CC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594513503 347184798 /nfs/dbraw/zinc/18/47/98/347184798.db2.gz ZAWJFXSLOXGCSU-OAHLLOKOSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594514212 347184850 /nfs/dbraw/zinc/18/48/50/347184850.db2.gz IEKFVESYTGBTNY-MLGOLLRUSA-N 1 0 297.358 3.198 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccccn2)cc1[N+](=O)[O-] ZINC000594518331 347187437 /nfs/dbraw/zinc/18/74/37/347187437.db2.gz OURGMKDIVSNABB-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO CC1(C)C[C@]1(C)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594995230 347251046 /nfs/dbraw/zinc/25/10/46/347251046.db2.gz HBRHBDAXHFKHLG-VFADXPBXSA-N 1 0 260.337 3.386 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595109087 347284932 /nfs/dbraw/zinc/28/49/32/347284932.db2.gz SUENRGSTYQBQFM-DZGCQCFKSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595293692 347287282 /nfs/dbraw/zinc/28/72/82/347287282.db2.gz DKANVVDELGXCLI-ZDUSSCGKSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1noc(C[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1[N+](=O)[O-] ZINC000595425376 347301491 /nfs/dbraw/zinc/30/14/91/347301491.db2.gz QVVIWRAOGHAEAA-RAIGVLPGSA-N 1 0 295.383 3.442 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407622 347299281 /nfs/dbraw/zinc/29/92/81/347299281.db2.gz CLAUWRBXQJTKKR-MFKMUULPSA-N 1 0 266.316 3.497 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C(C1CC1)C1CC1 ZINC000595008045 347254933 /nfs/dbraw/zinc/25/49/33/347254933.db2.gz OWHNJTNGIGKILW-JTQLQIEISA-N 1 0 290.363 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000595011989 347256525 /nfs/dbraw/zinc/25/65/25/347256525.db2.gz ALQOVPOIDSTRDH-COPLHBTASA-N 1 0 278.352 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1CCCC1 ZINC000595011329 347256654 /nfs/dbraw/zinc/25/66/54/347256654.db2.gz CQOCTJHIPBJQCQ-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)CSC ZINC000595011615 347256662 /nfs/dbraw/zinc/25/66/62/347256662.db2.gz ZZNBFULZTPMXDF-VHSXEESVSA-N 1 0 284.381 3.006 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC(F)(F)F ZINC000595013364 347257126 /nfs/dbraw/zinc/25/71/26/347257126.db2.gz HRSGIJADTXMXMV-QMMMGPOBSA-N 1 0 292.257 3.206 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CC=CCC1 ZINC000595018747 347258788 /nfs/dbraw/zinc/25/87/88/347258788.db2.gz FYTJQIFGOKBABR-NEPJUHHUSA-N 1 0 276.336 3.363 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C(C)(C)C(F)F ZINC000595033797 347263895 /nfs/dbraw/zinc/26/38/95/347263895.db2.gz DATHYCMGTOBQSW-JTQLQIEISA-N 1 0 286.322 3.407 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCSCC2)c1 ZINC000595035404 347264916 /nfs/dbraw/zinc/26/49/16/347264916.db2.gz IUQVXYIKPYGJDG-CYBMUJFWSA-N 1 0 280.393 3.013 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000595039085 347265577 /nfs/dbraw/zinc/26/55/77/347265577.db2.gz NFZJGRUOKLXHMR-NOZJJQNGSA-N 1 0 296.392 3.148 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000595046152 347267918 /nfs/dbraw/zinc/26/79/18/347267918.db2.gz YCPSYDNVWOZZRD-NZVBXONLSA-N 1 0 290.363 3.443 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccoc2)cc1[N+](=O)[O-] ZINC000595075370 347278123 /nfs/dbraw/zinc/27/81/23/347278123.db2.gz AHMCPVOQOBCYQB-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000595421169 347300734 /nfs/dbraw/zinc/30/07/34/347300734.db2.gz SYOZWGMITIFIMD-UXIGCNINSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000595080340 347278937 /nfs/dbraw/zinc/27/89/37/347278937.db2.gz KLKNJXAAUYIINM-IINYFYTJSA-N 1 0 278.352 3.443 20 5 CGBDRO CCOc1cc(C[NH2+][C@H](CC)C2CC2)ccc1[N+](=O)[O-] ZINC000595765173 347353667 /nfs/dbraw/zinc/35/36/67/347353667.db2.gz HTBDPJRURPNMMN-CYBMUJFWSA-N 1 0 278.352 3.272 20 5 CGBDRO CC[C@H](C)[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000595592536 347322822 /nfs/dbraw/zinc/32/28/22/347322822.db2.gz FMWCBGAMNNPEKP-LBPRGKRZSA-N 1 0 266.341 3.094 20 5 CGBDRO COCC1([NH2+]Cc2c(F)cccc2[N+](=O)[O-])CCCCC1 ZINC000595911894 347371879 /nfs/dbraw/zinc/37/18/79/347371879.db2.gz TWUHDYAZTITLIY-UHFFFAOYSA-N 1 0 296.342 3.173 20 5 CGBDRO C[NH+](C)CCc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000596637453 347494947 /nfs/dbraw/zinc/49/49/47/347494947.db2.gz WAACUHVORULNTK-UHFFFAOYSA-N 1 0 270.332 3.366 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@@H]2CC2(F)F)cc1[N+](=O)[O-] ZINC000598650008 347675617 /nfs/dbraw/zinc/67/56/17/347675617.db2.gz WYVQTWRSCKXWGE-LLVKDONJSA-N 1 0 270.279 3.038 20 5 CGBDRO CC1CC(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000598649013 347675828 /nfs/dbraw/zinc/67/58/28/347675828.db2.gz UTGKGZFQMQOCMF-XQRVVYSFSA-N 1 0 260.337 3.244 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000598930610 347699659 /nfs/dbraw/zinc/69/96/59/347699659.db2.gz XOOCWRPTAIYNTI-UHFFFAOYSA-N 1 0 283.331 3.253 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598955604 347700685 /nfs/dbraw/zinc/70/06/85/347700685.db2.gz RLBVJHYVSCUWPA-ONERCXAPSA-N 1 0 260.337 3.119 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CC=CCC2)c1 ZINC000599001858 347705547 /nfs/dbraw/zinc/70/55/47/347705547.db2.gz XPEBMZKRIQDVTM-CYBMUJFWSA-N 1 0 260.337 3.431 20 5 CGBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H]2C[C@H]2C1 ZINC000599005220 347705746 /nfs/dbraw/zinc/70/57/46/347705746.db2.gz NGHHDWDYKHVJRI-PJXYFTJBSA-N 1 0 266.366 3.182 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1CC=CC1)C1CC1 ZINC000599065071 347713194 /nfs/dbraw/zinc/71/31/94/347713194.db2.gz MOFIYPAPNDJLGI-MRXNPFEDSA-N 1 0 286.375 3.472 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000599086169 347715725 /nfs/dbraw/zinc/71/57/25/347715725.db2.gz ZAWDLOFVRTVOJI-NORZTCDRSA-N 1 0 290.363 3.121 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000599674878 347764206 /nfs/dbraw/zinc/76/42/06/347764206.db2.gz JUCKEMGSJAKUQN-BBRMVZONSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599165237 347722546 /nfs/dbraw/zinc/72/25/46/347722546.db2.gz OJROKGFBRSSZLB-ZDUSSCGKSA-N 1 0 293.342 3.163 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+]2C2CCCC2)c([N+](=O)[O-])s1 ZINC000599165766 347722804 /nfs/dbraw/zinc/72/28/04/347722804.db2.gz RZXCJOICOXKVJN-LBPRGKRZSA-N 1 0 295.408 3.394 20 5 CGBDRO C[C@@H](CC1CCC1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000601154397 347875615 /nfs/dbraw/zinc/87/56/15/347875615.db2.gz IZZBRBWEZHTTEY-VIFPVBQESA-N 1 0 254.355 3.325 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2(C(F)(F)F)CC2)cc1 ZINC000602652250 348001131 /nfs/dbraw/zinc/00/11/31/348001131.db2.gz AWERIBZAJRNNOI-UHFFFAOYSA-N 1 0 288.269 3.069 20 5 CGBDRO CC(C)[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602718719 348016374 /nfs/dbraw/zinc/01/63/74/348016374.db2.gz QJVDDSFASAUHHQ-OAHLLOKOSA-N 1 0 289.335 3.260 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012784 348106412 /nfs/dbraw/zinc/10/64/12/348106412.db2.gz ZFEBNIGGDDPEGD-ZIAGYGMSSA-N 1 0 292.379 3.342 20 5 CGBDRO CC(C)[C@@H]1CCC[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604435560 348120209 /nfs/dbraw/zinc/12/02/09/348120209.db2.gz XRMDVUPIFSPXBK-INIZCTEOSA-N 1 0 292.379 3.484 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC000604498490 348121499 /nfs/dbraw/zinc/12/14/99/348121499.db2.gz NBIUZEDHSCXNIJ-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@H]1CCC[C@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848796 348098829 /nfs/dbraw/zinc/09/88/29/348098829.db2.gz OONRHMACOLQAJH-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCOc2ccccc2[N+](=O)[O-])C1 ZINC000603848800 348098905 /nfs/dbraw/zinc/09/89/05/348098905.db2.gz OONRHMACOLQAJH-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c(F)c1 ZINC000610476406 348384013 /nfs/dbraw/zinc/38/40/13/348384013.db2.gz NUZAIXZZNBVENU-GFCCVEGCSA-N 1 0 290.294 3.316 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000610476545 348384680 /nfs/dbraw/zinc/38/46/80/348384680.db2.gz HBWUEYNPKIIAGJ-OAHLLOKOSA-N 1 0 290.363 3.368 20 5 CGBDRO COCC[N@H+](Cc1ccc(C)c([N+](=O)[O-])c1)C1CCCC1 ZINC000611257692 348432208 /nfs/dbraw/zinc/43/22/08/348432208.db2.gz PVWHHDHOTCXSPI-UHFFFAOYSA-N 1 0 292.379 3.294 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000611293114 348435713 /nfs/dbraw/zinc/43/57/13/348435713.db2.gz LRKSXZPBZPDGCX-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CCC[C@H]1F ZINC000339588461 215259968 /nfs/dbraw/zinc/25/99/68/215259968.db2.gz YLENERSCSWZICV-LOWFTVKWSA-N 1 0 264.300 3.088 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@H]1F ZINC000339588460 215260582 /nfs/dbraw/zinc/26/05/82/215260582.db2.gz YLENERSCSWZICV-FSMZVQOTSA-N 1 0 264.300 3.088 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1ccsc1 ZINC000619782627 349285539 /nfs/dbraw/zinc/28/55/39/349285539.db2.gz GRUWCNYXVQEQNV-LLVKDONJSA-N 1 0 292.360 3.386 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cncc(F)c2)cc1[N+](=O)[O-] ZINC000358993795 233235529 /nfs/dbraw/zinc/23/55/29/233235529.db2.gz DYRMCUJVYDUJKM-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000271330433 191077101 /nfs/dbraw/zinc/07/71/01/191077101.db2.gz CGPJPNICROFHDP-FPMFFAJLSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccoc1C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000292042937 198143244 /nfs/dbraw/zinc/14/32/44/198143244.db2.gz AHJMRCPCWSCCKJ-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564426 188269013 /nfs/dbraw/zinc/26/90/13/188269013.db2.gz UMUXGTWZPATWJF-UMVBOHGHSA-N 1 0 291.395 3.037 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000412018370 235103370 /nfs/dbraw/zinc/10/33/70/235103370.db2.gz BGQXJTQKTLBSFB-SNVBAGLBSA-N 1 0 298.770 3.295 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC000412021901 235105760 /nfs/dbraw/zinc/10/57/60/235105760.db2.gz OAWFCNKELCDQMT-JTQLQIEISA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000412050380 235118333 /nfs/dbraw/zinc/11/83/33/235118333.db2.gz YHRNZSHTDHKMLK-SECBINFHSA-N 1 0 254.355 3.277 20 5 CGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271878045 191384253 /nfs/dbraw/zinc/38/42/53/191384253.db2.gz OQNAJAMPBRADPU-SWLSCSKDSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000413434378 235277558 /nfs/dbraw/zinc/27/75/58/235277558.db2.gz GBBUOLQSWNNLKA-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)cc1[N+](=O)[O-] ZINC000414286311 235379399 /nfs/dbraw/zinc/37/93/99/235379399.db2.gz SHJOZBVOPSDUDB-COMQUAJESA-N 1 0 292.379 3.367 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000512280219 535354892 /nfs/dbraw/zinc/35/48/92/535354892.db2.gz OAZGUDISGLUPPW-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000187419840 138448649 /nfs/dbraw/zinc/44/86/49/138448649.db2.gz OHZIVDYJGRZYTE-LBPRGKRZSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294593501 199099741 /nfs/dbraw/zinc/09/97/41/199099741.db2.gz CXDMHUHCCMBGIY-JTQLQIEISA-N 1 0 275.352 3.018 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCc2cccnc2)C2CC2)c1 ZINC000178076054 189089221 /nfs/dbraw/zinc/08/92/21/189089221.db2.gz UUNBERSUKKSXCR-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000451819802 240366366 /nfs/dbraw/zinc/36/63/66/240366366.db2.gz BMXHISSYWAVGDQ-KBPBESRZSA-N 1 0 291.395 3.072 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H](O)C2)cc1[N+](=O)[O-] ZINC000300411537 200893518 /nfs/dbraw/zinc/89/35/18/200893518.db2.gz OAMVZRYWXXAJTM-YDHLFZDLSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@](C)(O)CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000181500463 189298256 /nfs/dbraw/zinc/29/82/56/189298256.db2.gz XLQRXRNXVMPAKD-HNNXBMFYSA-N 1 0 289.335 3.024 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000301505806 201035300 /nfs/dbraw/zinc/03/53/00/201035300.db2.gz CRMSLPNDDTVBOA-CHWSQXEVSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000301561917 201068703 /nfs/dbraw/zinc/06/87/03/201068703.db2.gz KMRMBPWFBCRXRY-LBPRGKRZSA-N 1 0 279.384 3.291 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000301597779 201090507 /nfs/dbraw/zinc/09/05/07/201090507.db2.gz SVCDDOPLSZQFSM-OCCSQVGLSA-N 1 0 277.368 3.188 20 5 CGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000182554257 189327537 /nfs/dbraw/zinc/32/75/37/189327537.db2.gz OQXJUKKZRDKRMN-LLVKDONJSA-N 1 0 292.360 3.386 20 5 CGBDRO Cc1ccc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])c1 ZINC000301651576 201117420 /nfs/dbraw/zinc/11/74/20/201117420.db2.gz SKMOIJJHNSIVJG-GFCCVEGCSA-N 1 0 279.384 3.291 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccccc1F ZINC000449059994 239148970 /nfs/dbraw/zinc/14/89/70/239148970.db2.gz BYLQSFRXORSNFS-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000449257455 239274333 /nfs/dbraw/zinc/27/43/33/239274333.db2.gz LXMQCDPVCAMWAI-ZJUUUORDSA-N 1 0 290.285 3.314 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)NCc1ccc([N+](=O)[O-])cc1Cl ZINC000353152700 219923597 /nfs/dbraw/zinc/92/35/97/219923597.db2.gz MDHWEQQCPKAVTC-NSHDSACASA-N 1 0 299.802 3.067 20 5 CGBDRO CS[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000451309821 240271823 /nfs/dbraw/zinc/27/18/23/240271823.db2.gz DUGAPSXRNVQKMB-GWCFXTLKSA-N 1 0 266.366 3.093 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000452017100 240395878 /nfs/dbraw/zinc/39/58/78/240395878.db2.gz KKKKJBOMFIQJGN-NILFDRSVSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)ccn1 ZINC000453276944 240811029 /nfs/dbraw/zinc/81/10/29/240811029.db2.gz BEPRHCSLPGSTQV-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC(C)OC1CC([N@H+](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000459463529 242117828 /nfs/dbraw/zinc/11/78/28/242117828.db2.gz MHNOVUJZGZCHHW-UHFFFAOYSA-N 1 0 292.379 3.025 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCCCF ZINC000462821998 242366305 /nfs/dbraw/zinc/36/63/05/242366305.db2.gz MYCNNLVVALKTIE-LBPRGKRZSA-N 1 0 268.332 3.255 20 5 CGBDRO CC(C)[NH+]1CCC(Nc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000121679631 370885810 /nfs/dbraw/zinc/88/58/10/370885810.db2.gz SPYMZALHRMAITM-UHFFFAOYSA-N 1 0 299.321 3.158 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC(C)(C)C[NH+]1CCCC1 ZINC000478054367 243066125 /nfs/dbraw/zinc/06/61/25/243066125.db2.gz OTCJCDNVVOMXML-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000020089864 368799356 /nfs/dbraw/zinc/79/93/56/368799356.db2.gz NYVOBYUIUXEHEC-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1C ZINC000037371692 369083593 /nfs/dbraw/zinc/08/35/93/369083593.db2.gz KVZBXWFNTSBFPW-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCCC(C)C ZINC000037989617 369134536 /nfs/dbraw/zinc/13/45/36/369134536.db2.gz UOZDPDWNBJXQDP-UHFFFAOYSA-N 1 0 266.341 3.129 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000037999257 369137495 /nfs/dbraw/zinc/13/74/95/369137495.db2.gz PUYLSGNXEKFRTB-CYBMUJFWSA-N 1 0 277.368 3.129 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CCOCC1 ZINC000330689479 203118599 /nfs/dbraw/zinc/11/85/99/203118599.db2.gz PKZPVXDFWJWARI-OAHLLOKOSA-N 1 0 296.342 3.029 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045657109 369282458 /nfs/dbraw/zinc/28/24/58/369282458.db2.gz PHNOKYHSRKJSDZ-IUODEOHRSA-N 1 0 280.368 3.308 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@@H]1CCCO1 ZINC000048953922 369377054 /nfs/dbraw/zinc/37/70/54/369377054.db2.gz NQCLNNRFIKIVSO-LBPRGKRZSA-N 1 0 298.770 3.249 20 5 CGBDRO CC(C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963304 369425187 /nfs/dbraw/zinc/42/51/87/369425187.db2.gz PALIEJWOPUQETA-VIFPVBQESA-N 1 0 256.733 3.382 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000276173170 193233277 /nfs/dbraw/zinc/23/32/77/193233277.db2.gz CYTBQUVGECPCAJ-GFCCVEGCSA-N 1 0 280.368 3.187 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000067948893 369737031 /nfs/dbraw/zinc/73/70/31/369737031.db2.gz XGVHUPSNRHPKOD-MRXNPFEDSA-N 1 0 285.347 3.310 20 5 CGBDRO C[N@H+](CCc1cccs1)CCc1ccc([N+](=O)[O-])cc1 ZINC000075965725 369923660 /nfs/dbraw/zinc/92/36/60/369923660.db2.gz JQKRECUDYHTHBT-UHFFFAOYSA-N 1 0 290.388 3.373 20 5 CGBDRO CCOC[C@@H]1CCC[N@H+](Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000093419081 370127693 /nfs/dbraw/zinc/12/76/93/370127693.db2.gz MGZJDIFXKWLPBT-OAHLLOKOSA-N 1 0 292.379 3.152 20 5 CGBDRO COCC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000509949151 244932550 /nfs/dbraw/zinc/93/25/50/244932550.db2.gz OWUHDNFMOICJES-HNNXBMFYSA-N 1 0 294.395 3.444 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C(C)(C)C ZINC000114475176 370503305 /nfs/dbraw/zinc/50/33/05/370503305.db2.gz IBQQSTRRZCXXBJ-JTQLQIEISA-N 1 0 266.341 3.128 20 5 CGBDRO CS[C@H]1CCCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000134604695 371352784 /nfs/dbraw/zinc/35/27/84/371352784.db2.gz QSJVWQBOUJXBCC-HNNXBMFYSA-N 1 0 294.420 3.355 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](CCCCF)CC2)cc1 ZINC000286504121 371509833 /nfs/dbraw/zinc/50/98/33/371509833.db2.gz RJHCFXBSZYANLS-UHFFFAOYSA-N 1 0 296.342 3.188 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000152052917 371668208 /nfs/dbraw/zinc/66/82/08/371668208.db2.gz WVWQOGGSWGDVBN-LBPRGKRZSA-N 1 0 274.320 3.299 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccco1 ZINC000152053001 371668229 /nfs/dbraw/zinc/66/82/29/371668229.db2.gz WVWQOGGSWGDVBN-GFCCVEGCSA-N 1 0 274.320 3.299 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 ZINC000154442693 371847183 /nfs/dbraw/zinc/84/71/83/371847183.db2.gz GEQAAGOCPWOOCR-NSHDSACASA-N 1 0 272.304 3.151 20 5 CGBDRO Cc1ccc(C[NH2+]CCSC(C)C)cc1[N+](=O)[O-] ZINC000290046209 371887721 /nfs/dbraw/zinc/88/77/21/371887721.db2.gz GDXOCBXDUJFJEE-UHFFFAOYSA-N 1 0 268.382 3.134 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000344104131 217053081 /nfs/dbraw/zinc/05/30/81/217053081.db2.gz ORABHDXIRHTJIL-CQSZACIVSA-N 1 0 290.363 3.225 20 5 CGBDRO CCC[N@H+](CC)CCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156797340 371995425 /nfs/dbraw/zinc/99/54/25/371995425.db2.gz HSJZHARRABDVAY-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO CCC[N@H+](CC)CCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156797513 371995752 /nfs/dbraw/zinc/99/57/52/371995752.db2.gz NXFDQYWVKMXKAA-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000344164210 217081134 /nfs/dbraw/zinc/08/11/34/217081134.db2.gz ILQBBKOHMFDLGL-LSDHHAIUSA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1ccc([C@H](C)NCC2([NH3+])CCCCC2)cc1[N+](=O)[O-] ZINC000423182589 372010501 /nfs/dbraw/zinc/01/05/01/372010501.db2.gz QLPKOMNIVNRUMY-ZDUSSCGKSA-N 1 0 291.395 3.215 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000428471558 372217585 /nfs/dbraw/zinc/21/75/85/372217585.db2.gz XZSIUGKFUOXNPY-AWEZNQCLSA-N 1 0 292.379 3.065 20 5 CGBDRO C[NH+](C)CCSc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000161194350 372309199 /nfs/dbraw/zinc/30/91/99/372309199.db2.gz XJAURHGTPONETM-UHFFFAOYSA-N 1 0 294.298 3.267 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000344324687 217149943 /nfs/dbraw/zinc/14/99/43/217149943.db2.gz HAUVRHJJVJQFOY-ZYHUDNBSSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429245094 372327901 /nfs/dbraw/zinc/32/79/01/372327901.db2.gz IUDJSVJTAIWOPH-ZDUSSCGKSA-N 1 0 294.395 3.217 20 5 CGBDRO COCCCCC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429239954 372328259 /nfs/dbraw/zinc/32/82/59/372328259.db2.gz WEXMUVWUHJAHCE-UHFFFAOYSA-N 1 0 280.368 3.236 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344377001 217174465 /nfs/dbraw/zinc/17/44/65/217174465.db2.gz KDQSVFOBEGVRRO-INIZCTEOSA-N 1 0 292.379 3.234 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@]2(C)CCCO2)cccc1[N+](=O)[O-] ZINC000167057530 372588509 /nfs/dbraw/zinc/58/85/09/372588509.db2.gz MWFKQQPKSQKMIH-WFASDCNBSA-N 1 0 278.352 3.123 20 5 CGBDRO CC[C@H](CCO)Nc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000167382800 372593456 /nfs/dbraw/zinc/59/34/56/372593456.db2.gz UKGSBVIBFXTVDA-LLVKDONJSA-N 1 0 289.335 3.024 20 5 CGBDRO CC[C@H](CSC)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168138940 372606476 /nfs/dbraw/zinc/60/64/76/372606476.db2.gz BUZFVDMFPWWLPE-SNVBAGLBSA-N 1 0 288.800 3.479 20 5 CGBDRO Cc1cccnc1CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000295022313 372686203 /nfs/dbraw/zinc/68/62/03/372686203.db2.gz NHSLAPWVYVKOML-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO CCC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC(C)(C)O ZINC000353416823 220070513 /nfs/dbraw/zinc/07/05/13/220070513.db2.gz QVUOLOWPZKWIFW-VQHVLOKHSA-N 1 0 292.379 3.091 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC(C)C ZINC000344805075 217317556 /nfs/dbraw/zinc/31/75/56/217317556.db2.gz CZKWNWZRJFUCEH-UKTHLTGXSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000296272414 373074437 /nfs/dbraw/zinc/07/44/37/373074437.db2.gz DRWVQJWHCXSSNS-UONOGXRCSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1CSCC[NH+](C)C ZINC000446567062 373331412 /nfs/dbraw/zinc/33/14/12/373331412.db2.gz VSHKSQCDXCETLJ-UHFFFAOYSA-N 1 0 298.408 3.177 20 5 CGBDRO CC[NH+](CC)CCSc1cc(C)ccc1[N+](=O)[O-] ZINC000447061013 373396814 /nfs/dbraw/zinc/39/68/14/373396814.db2.gz TXCLVBPAPOUJHN-UHFFFAOYSA-N 1 0 268.382 3.337 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531438 373446550 /nfs/dbraw/zinc/44/65/50/373446550.db2.gz RCYJSVFZVOKIJA-JKSUJKDBSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@H](CNc1cccc(F)c1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000301100870 373660886 /nfs/dbraw/zinc/66/08/86/373660886.db2.gz ONFAEXYHCBTDMF-VXGBXAGGSA-N 1 0 295.358 3.266 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164637 373666112 /nfs/dbraw/zinc/66/61/12/373666112.db2.gz ZYMNQOYAWRGCMR-DZGCQCFKSA-N 1 0 294.395 3.321 20 5 CGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1Cl)C(C)C ZINC000301158015 373679218 /nfs/dbraw/zinc/67/92/18/373679218.db2.gz GOPYSJTZDWDBHD-UHFFFAOYSA-N 1 0 285.775 3.390 20 5 CGBDRO CS[C@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449445156 373720842 /nfs/dbraw/zinc/72/08/42/373720842.db2.gz HEHMEBHCMKBTTN-JQVXPOPVSA-N 1 0 292.404 3.435 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449480555 373768969 /nfs/dbraw/zinc/76/89/69/373768969.db2.gz YSYCKRKVLRNKMO-CZUORRHYSA-N 1 0 294.395 3.321 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449754967 373882948 /nfs/dbraw/zinc/88/29/48/373882948.db2.gz LDUHBGQIPOTZNS-UVMHCMFPSA-N 1 0 290.363 3.155 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CC(C)(C)OC2(C)C)cc1[N+](=O)[O-] ZINC000180368013 373995512 /nfs/dbraw/zinc/99/55/12/373995512.db2.gz ULIKNPLOTDNCOJ-AWEZNQCLSA-N 1 0 292.379 3.339 20 5 CGBDRO CC(C)[NH+](CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000180455083 374010211 /nfs/dbraw/zinc/01/02/11/374010211.db2.gz NCYCNHLNKZYBII-UHFFFAOYSA-N 1 0 250.342 3.256 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@H](C1CC1)[NH+](C)C ZINC000302834438 373981390 /nfs/dbraw/zinc/98/13/90/373981390.db2.gz TWJSHDIXDVFXER-CYBMUJFWSA-N 1 0 297.786 3.309 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000304458742 374055453 /nfs/dbraw/zinc/05/54/53/374055453.db2.gz VCMSRGCIECCXEB-YWPYICTPSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453297139 374399884 /nfs/dbraw/zinc/39/98/84/374399884.db2.gz HPTIHTNALFXQRL-HOTGVXAUSA-N 1 0 292.379 3.377 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185189367 374605289 /nfs/dbraw/zinc/60/52/89/374605289.db2.gz MQIDGEIDHMWTRW-CVEARBPZSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000185636547 374704483 /nfs/dbraw/zinc/70/44/83/374704483.db2.gz RVWBYZIBCINOLH-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000187419856 375019086 /nfs/dbraw/zinc/01/90/86/375019086.db2.gz OHZIVDYJGRZYTE-GFCCVEGCSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000188572501 375234642 /nfs/dbraw/zinc/23/46/42/375234642.db2.gz QNGKSCYJMDVYTL-LSDHHAIUSA-N 1 0 276.336 3.328 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@H]1C ZINC000487977024 375289462 /nfs/dbraw/zinc/28/94/62/375289462.db2.gz FMFLQOKXPCRBSX-CJNGLKHVSA-N 1 0 292.379 3.232 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000487976522 375290485 /nfs/dbraw/zinc/29/04/85/375290485.db2.gz ULRNGSUXNUEIGS-AAEUAGOBSA-N 1 0 298.408 3.293 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]1C ZINC000487990745 375291167 /nfs/dbraw/zinc/29/11/67/375291167.db2.gz RVNWHEACMXEXHL-CZUORRHYSA-N 1 0 292.379 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1cccnc1)CCC2 ZINC000192649457 375774407 /nfs/dbraw/zinc/77/44/07/375774407.db2.gz QWGNOQUDTDGZDO-QGZVFWFLSA-N 1 0 297.358 3.200 20 5 CGBDRO CSC1(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000193827316 375928205 /nfs/dbraw/zinc/92/82/05/375928205.db2.gz FZLNWGUZTVEILN-LLVKDONJSA-N 1 0 280.393 3.449 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2ccc([N+](=O)[O-])c(C)c2)C[C@H]1C ZINC000538936694 376279114 /nfs/dbraw/zinc/27/91/14/376279114.db2.gz IUMVJVSPKBNXIG-UKRRQHHQSA-N 1 0 291.395 3.212 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccncc1F ZINC000338341663 376340517 /nfs/dbraw/zinc/34/05/17/376340517.db2.gz FLUNMDMIPDAQTM-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO C[NH+](C)C1(CNc2c(F)cc([N+](=O)[O-])cc2F)CCCC1 ZINC000227888138 376417167 /nfs/dbraw/zinc/41/71/67/376417167.db2.gz CYPRCVYAZDZAPL-UHFFFAOYSA-N 1 0 299.321 3.159 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000230144495 376486631 /nfs/dbraw/zinc/48/66/31/376486631.db2.gz QZJIHGKFRMRYFH-STQMWFEESA-N 1 0 298.770 3.151 20 5 CGBDRO CO[C@@H](C)CC[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000338707211 376492146 /nfs/dbraw/zinc/49/21/46/376492146.db2.gz KHPYGYCVOOLPFL-LBPRGKRZSA-N 1 0 280.368 3.233 20 5 CGBDRO CSC1(C[NH2+]CCc2ccccc2[N+](=O)[O-])CCC1 ZINC000235231392 376636755 /nfs/dbraw/zinc/63/67/55/376636755.db2.gz SKKCVMHVJOGQGT-UHFFFAOYSA-N 1 0 280.393 3.013 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCOC[C@H]1C ZINC000556921603 376907188 /nfs/dbraw/zinc/90/71/88/376907188.db2.gz QCXJXWLCTNPOON-HZSPNIEDSA-N 1 0 292.379 3.226 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)[C@H]1CCCOC1 ZINC000558414091 377004829 /nfs/dbraw/zinc/00/48/29/377004829.db2.gz WSPFGIONXLVJIF-OVHOFWQVSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CC)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000340499709 377105664 /nfs/dbraw/zinc/10/56/64/377105664.db2.gz FCVIVNDGMQVKQX-ZIAGYGMSSA-N 1 0 280.368 3.185 20 5 CGBDRO COC[C@H](C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521772 377324380 /nfs/dbraw/zinc/32/43/80/377324380.db2.gz WBHAGVYGMLFXNF-UKRRQHHQSA-N 1 0 292.379 3.057 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000248888731 377421095 /nfs/dbraw/zinc/42/10/95/377421095.db2.gz ANLGJZXFLZRHRQ-MRVWCRGKSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ncsc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000563416526 377459132 /nfs/dbraw/zinc/45/91/32/377459132.db2.gz GIMFMFGMXWGLNF-LBPRGKRZSA-N 1 0 289.360 3.137 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[NH+]2CCC(C)CC2)c1 ZINC000094659482 249041712 /nfs/dbraw/zinc/04/17/12/249041712.db2.gz HWDLJLIXEAQECX-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234518 249095447 /nfs/dbraw/zinc/09/54/47/249095447.db2.gz XJXWJHPGRJHADO-RYUDHWBXSA-N 1 0 293.342 3.081 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CCC2(O)CCC2)cc1[N+](=O)[O-] ZINC000341392710 377545859 /nfs/dbraw/zinc/54/58/59/377545859.db2.gz ZMVJAWRPRBYKCE-UHFFFAOYSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@@H](O)CC ZINC000575325741 377879604 /nfs/dbraw/zinc/87/96/04/377879604.db2.gz AYUCPWRVQNFMRC-DFBGVHRSSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000262383741 377896561 /nfs/dbraw/zinc/89/65/61/377896561.db2.gz YZYIBYPLADSBQY-JECHBYEQSA-N 1 0 297.358 3.390 20 5 CGBDRO CC(C)CO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350110 378054488 /nfs/dbraw/zinc/05/44/88/378054488.db2.gz DFIYIWQGUKPOTK-UONOGXRCSA-N 1 0 292.379 3.403 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000268929237 378154626 /nfs/dbraw/zinc/15/46/26/378154626.db2.gz ZAVOMSUINOCTHO-XJKSGUPXSA-N 1 0 294.395 3.057 20 5 CGBDRO CCC(CC)(CC)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269640932 378247369 /nfs/dbraw/zinc/24/73/69/378247369.db2.gz JAPIKKFSPRAGLE-CQSZACIVSA-N 1 0 280.368 3.187 20 5 CGBDRO CCOCC[NH2+][C@H](CC)CSc1ccccc1[N+](=O)[O-] ZINC000271070013 378447052 /nfs/dbraw/zinc/44/70/52/378447052.db2.gz DXBDZDODMIBJSD-GFCCVEGCSA-N 1 0 298.408 3.092 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000346576608 378631259 /nfs/dbraw/zinc/63/12/59/378631259.db2.gz SKFHNXYINUYNQR-LLVKDONJSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccncc1 ZINC000272358383 378620223 /nfs/dbraw/zinc/62/02/23/378620223.db2.gz MKFPRGPKLUBSIP-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCCN(C)[C@H]2C)cccc1[N+](=O)[O-] ZINC000346798755 218017853 /nfs/dbraw/zinc/01/78/53/218017853.db2.gz NKYJPOCDPKZEIY-KCQAQPDRSA-N 1 0 291.395 3.037 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278502389 194015553 /nfs/dbraw/zinc/01/55/53/194015553.db2.gz LRWYLOHEVPUTND-KCXAZCMYSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)c1cccc([N+](=O)[O-])c1 ZINC000348314318 378902269 /nfs/dbraw/zinc/90/22/69/378902269.db2.gz AXEYMADIQSOKCL-MVWJERBFSA-N 1 0 252.289 3.136 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000266612682 190270874 /nfs/dbraw/zinc/27/08/74/190270874.db2.gz IJJQLNNGBSRTNX-ZDUSSCGKSA-N 1 0 286.759 3.009 20 5 CGBDRO CCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCOCC1 ZINC000266754003 190278954 /nfs/dbraw/zinc/27/89/54/190278954.db2.gz DLCILICAFMUIGX-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000266763999 190279202 /nfs/dbraw/zinc/27/92/02/190279202.db2.gz HGYDJWZUADXISJ-RYUDHWBXSA-N 1 0 280.368 3.043 20 5 CGBDRO C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000266903288 190289131 /nfs/dbraw/zinc/28/91/31/190289131.db2.gz AFKSJVCHPYPRFS-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000280295595 379667949 /nfs/dbraw/zinc/66/79/49/379667949.db2.gz VDBAZYCYTVZJQV-OLZOCXBDSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC2(CC2)CC1 ZINC000378330201 379803905 /nfs/dbraw/zinc/80/39/05/379803905.db2.gz ZUNSYILQOSZXBT-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO C[N@@H+](CCc1ccccc1[N+](=O)[O-])CC[C@H]1CCCCO1 ZINC000352570550 379863228 /nfs/dbraw/zinc/86/32/28/379863228.db2.gz IWDBEVOVAHSXGQ-OAHLLOKOSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000282170801 379867135 /nfs/dbraw/zinc/86/71/35/379867135.db2.gz DZKGMIHAFYUQQE-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccs1 ZINC000282552232 379944301 /nfs/dbraw/zinc/94/43/01/379944301.db2.gz XGWJBHRIFACRGS-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283693190 380083818 /nfs/dbraw/zinc/08/38/18/380083818.db2.gz XHTGJWWZIUTQAA-SNVBAGLBSA-N 1 0 278.327 3.497 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000283693187 380084364 /nfs/dbraw/zinc/08/43/64/380084364.db2.gz XHTGJWWZIUTQAA-JTQLQIEISA-N 1 0 278.327 3.497 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2(C(F)(F)F)CCC2)cs1 ZINC000353083648 380107407 /nfs/dbraw/zinc/10/74/07/380107407.db2.gz GLKMQDIHHVXQCZ-UHFFFAOYSA-N 1 0 294.298 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1NC1CC[NH+](C2CC2)CC1 ZINC000285987698 380155500 /nfs/dbraw/zinc/15/55/00/380155500.db2.gz CKZIWHQCGLMNTM-UHFFFAOYSA-N 1 0 295.770 3.287 20 5 CGBDRO CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972757 380259008 /nfs/dbraw/zinc/25/90/08/380259008.db2.gz ORIMDBWAMHIJAS-CZUORRHYSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1occc1C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000414443464 380239458 /nfs/dbraw/zinc/23/94/58/380239458.db2.gz CXBRQQNEXUCMLH-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNCc1ccc([N+](=O)[O-])cc1Cl ZINC000355299473 380629937 /nfs/dbraw/zinc/62/99/37/380629937.db2.gz YJJZLKHGRNFHLY-LLVKDONJSA-N 1 0 299.802 3.068 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417365141 380609729 /nfs/dbraw/zinc/60/97/29/380609729.db2.gz NPWXJPBGSHVRGF-AAEUAGOBSA-N 1 0 260.337 3.354 20 5 CGBDRO CC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000421383328 380926906 /nfs/dbraw/zinc/92/69/06/380926906.db2.gz NXTGBYKHHVQZPK-SECBINFHSA-N 1 0 288.294 3.332 20 5 CGBDRO CCC[NH+](CCC)CCCNc1nc(C)ccc1[N+](=O)[O-] ZINC000360685952 381617501 /nfs/dbraw/zinc/61/75/01/381617501.db2.gz OFGRDJOSJKVIOH-UHFFFAOYSA-N 1 0 294.399 3.222 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361315421 381689842 /nfs/dbraw/zinc/68/98/42/381689842.db2.gz KKKDTVWXCQXNPS-HOTGVXAUSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399993 381733034 /nfs/dbraw/zinc/73/30/34/381733034.db2.gz KUVLAQCISRSXML-JKSUJKDBSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000330727908 285030559 /nfs/dbraw/zinc/03/05/59/285030559.db2.gz MKMRDUCMTHWCSF-ZFWWWQNUSA-N 1 0 292.379 3.465 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]Cc1cccnc1)CCC2 ZINC000192591326 285144925 /nfs/dbraw/zinc/14/49/25/285144925.db2.gz HAFYIWOWFPQDGS-MRXNPFEDSA-N 1 0 283.331 3.157 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]C2CCCCC2)n1 ZINC000408289709 285169038 /nfs/dbraw/zinc/16/90/38/285169038.db2.gz IPCDNVUSLJEBPB-KBPBESRZSA-N 1 0 292.383 3.197 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449289381 533511050 /nfs/dbraw/zinc/51/10/50/533511050.db2.gz AEBQSWGHYCJGBU-LBPRGKRZSA-N 1 0 294.420 3.401 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000191062741 130178170 /nfs/dbraw/zinc/17/81/70/130178170.db2.gz SYUUNENWWGVSQT-SCRDCRAPSA-N 1 0 278.352 3.121 20 5 CGBDRO COCCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192780652 130544911 /nfs/dbraw/zinc/54/49/11/130544911.db2.gz HWAHXJMEGXFCLA-INIZCTEOSA-N 1 0 292.379 3.379 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000062726392 392133879 /nfs/dbraw/zinc/13/38/79/392133879.db2.gz UGXRCIKQUPANDA-VXGBXAGGSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000223928994 130798133 /nfs/dbraw/zinc/79/81/33/130798133.db2.gz NUJLQKSFRNCRRM-YGRLFVJLSA-N 1 0 292.360 3.041 20 5 CGBDRO CC(C)CC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000069234307 392172447 /nfs/dbraw/zinc/17/24/47/392172447.db2.gz CTEZCFCICDCEOO-ZDUSSCGKSA-N 1 0 280.368 3.388 20 5 CGBDRO O=[N+]([O-])c1ccccc1CNc1cc2c(c[nH+]1)CCCC2 ZINC000361248263 392265379 /nfs/dbraw/zinc/26/53/79/392265379.db2.gz BUWCCNBRJKYCMC-UHFFFAOYSA-N 1 0 283.331 3.481 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000289841378 392434571 /nfs/dbraw/zinc/43/45/71/392434571.db2.gz KFVNRLASDIJEKP-WFASDCNBSA-N 1 0 280.368 3.139 20 5 CGBDRO Cc1ncsc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291628484 392472895 /nfs/dbraw/zinc/47/28/95/392472895.db2.gz AGOULFMIWJXVNE-UHFFFAOYSA-N 1 0 291.376 3.385 20 5 CGBDRO CCSCC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000135291973 392474847 /nfs/dbraw/zinc/47/48/47/392474847.db2.gz PMOWSKNPGGHNTL-NSHDSACASA-N 1 0 298.408 3.225 20 5 CGBDRO CC(C)CC[C@H]1CCCC[N@@H+]1CCn1cc([N+](=O)[O-])cn1 ZINC000158167906 392558831 /nfs/dbraw/zinc/55/88/31/392558831.db2.gz LQMGGTAFCBBXJM-CQSZACIVSA-N 1 0 294.399 3.082 20 5 CGBDRO CC1(C)OCC[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296491770 392559684 /nfs/dbraw/zinc/55/96/84/392559684.db2.gz ORWNZVIIQMAQKJ-HUUCEWRRSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000331530634 392694852 /nfs/dbraw/zinc/69/48/52/392694852.db2.gz QYDGLXOIGUYPAC-SNVBAGLBSA-N 1 0 288.351 3.092 20 5 CGBDRO CCC[C@@H]([NH2+]CC1(CO)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000184523057 392763332 /nfs/dbraw/zinc/76/33/32/392763332.db2.gz MCQYLTGEHWFFEV-OAHLLOKOSA-N 1 0 292.379 3.188 20 5 CGBDRO CO[C@@]1(C)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962052 392695516 /nfs/dbraw/zinc/69/55/16/392695516.db2.gz CBFWHDOXDNLICW-CJNGLKHVSA-N 1 0 292.379 3.465 20 5 CGBDRO CC(C)C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000524757773 392936065 /nfs/dbraw/zinc/93/60/65/392936065.db2.gz PDBIXTGWYHUZFK-UHFFFAOYSA-N 1 0 262.353 3.463 20 5 CGBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C(C)C ZINC000468733483 393158774 /nfs/dbraw/zinc/15/87/74/393158774.db2.gz KYOLWEJEGUZSGU-LPDYGMJQSA-N 1 0 292.379 3.259 20 5 CGBDRO CCc1ccccc1[C@H]([NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000420272604 393447449 /nfs/dbraw/zinc/44/74/49/393447449.db2.gz IFFXTZCMCPGZNF-CQSZACIVSA-N 1 0 285.347 3.269 20 5 CGBDRO [NH3+][C@H]1CCC[C@@H](CNc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000420280315 393448353 /nfs/dbraw/zinc/44/83/53/393448353.db2.gz LAENBFJYLZYDRR-KOLCDFICSA-N 1 0 283.759 3.178 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563026 393479449 /nfs/dbraw/zinc/47/94/49/393479449.db2.gz AWJZRBMFSGCNKL-PWSUYJOCSA-N 1 0 296.342 3.363 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430224833 393543616 /nfs/dbraw/zinc/54/36/16/393543616.db2.gz WOTXFUKAKQTHIO-HNNXBMFYSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](C)CC1 ZINC000430229974 393545385 /nfs/dbraw/zinc/54/53/85/393545385.db2.gz WYZNUJCXVNVLAW-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192156 393534430 /nfs/dbraw/zinc/53/44/30/393534430.db2.gz AMYCMJYCIURJCV-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192155 393534959 /nfs/dbraw/zinc/53/49/59/393534959.db2.gz AMYCMJYCIURJCV-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1(C)CCCC1 ZINC000430243414 393547967 /nfs/dbraw/zinc/54/79/67/393547967.db2.gz LIHKGVDHSWTQRO-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@H](N[C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258352 393656269 /nfs/dbraw/zinc/65/62/69/393656269.db2.gz BKCZMVWHRWNOPV-LRDDRELGSA-N 1 0 291.395 3.153 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491144678 393668232 /nfs/dbraw/zinc/66/82/32/393668232.db2.gz ZJDLFKOIAYWQRL-LLVKDONJSA-N 1 0 280.755 3.480 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491159497 393669031 /nfs/dbraw/zinc/66/90/31/393669031.db2.gz DPBSIDODIBFCHC-AAEUAGOBSA-N 1 0 260.337 3.388 20 5 CGBDRO CCOc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492416515 393731912 /nfs/dbraw/zinc/73/19/12/393731912.db2.gz KSHNKRJELNIGAZ-CHWSQXEVSA-N 1 0 292.379 3.471 20 5 CGBDRO CCC(CC)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000492481830 393742186 /nfs/dbraw/zinc/74/21/86/393742186.db2.gz FHUYDTCXESFKSR-NTMALXAHSA-N 1 0 292.379 3.403 20 5 CGBDRO CO[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000443072669 393742505 /nfs/dbraw/zinc/74/25/05/393742505.db2.gz VPOAUWWRILTQPS-KSLFURFDSA-N 1 0 290.363 3.107 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000500407949 393826807 /nfs/dbraw/zinc/82/68/07/393826807.db2.gz MJTGCDVBYUTOFY-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@H](C3CC3)[C@@H]2C2CC2)cc1 ZINC000449543119 393892963 /nfs/dbraw/zinc/89/29/63/393892963.db2.gz SCQGQCGCEWIOGR-CVEARBPZSA-N 1 0 272.348 3.215 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000452015608 394049455 /nfs/dbraw/zinc/04/94/55/394049455.db2.gz MPDMGZDXQNCWTP-NILFDRSVSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cncs1 ZINC000453245234 394217774 /nfs/dbraw/zinc/21/77/74/394217774.db2.gz HHMNAWYBSDLKLX-UWVGGRQHSA-N 1 0 277.349 3.463 20 5 CGBDRO C[C@H](CCCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000453149834 394189110 /nfs/dbraw/zinc/18/91/10/394189110.db2.gz MURBTJUFPVUDGO-CQSZACIVSA-N 1 0 299.374 3.491 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000453623611 394261824 /nfs/dbraw/zinc/26/18/24/394261824.db2.gz BTTLESBATKOBNK-KANSDYPASA-N 1 0 290.363 3.155 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CF)cc1[N+](=O)[O-] ZINC000342207919 397684600 /nfs/dbraw/zinc/68/46/00/397684600.db2.gz UUCFKUWCCAPQJG-JTQLQIEISA-N 1 0 254.305 3.166 20 5 CGBDRO CC(C)C[C@H](C)[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000552625435 289194469 /nfs/dbraw/zinc/19/44/69/289194469.db2.gz ROJBEYXNJPIJRW-LBPRGKRZSA-N 1 0 262.353 3.388 20 5 CGBDRO C[C@H](F)CC[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000556231422 289378824 /nfs/dbraw/zinc/37/88/24/289378824.db2.gz ADRXXNAUOCKYFN-RYUDHWBXSA-N 1 0 268.332 3.254 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186913633 292295828 /nfs/dbraw/zinc/29/58/28/292295828.db2.gz ZBOWNTXDUHQTQO-ZDUSSCGKSA-N 1 0 292.379 3.059 20 5 CGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076612866 287035389 /nfs/dbraw/zinc/03/53/89/287035389.db2.gz AWZKLLBDDJVYNK-QGZVFWFLSA-N 1 0 299.374 3.313 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178658303 287062215 /nfs/dbraw/zinc/06/22/15/287062215.db2.gz DQPYROKXIPDSFJ-KAOXEZKKSA-N 1 0 290.363 3.059 20 5 CGBDRO Cc1ccsc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000048068838 165026697 /nfs/dbraw/zinc/02/66/97/165026697.db2.gz SRQMPNGJDFUSEP-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO COc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000066531894 165038094 /nfs/dbraw/zinc/03/80/94/165038094.db2.gz BJNGTQMCBFYNLE-RYUDHWBXSA-N 1 0 278.352 3.366 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC1(C)C ZINC000094325040 165347245 /nfs/dbraw/zinc/34/72/45/165347245.db2.gz NVXHFOLINAVPPS-AWEZNQCLSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](C)CC1 ZINC000276888742 287152530 /nfs/dbraw/zinc/15/25/30/287152530.db2.gz FYDAKQUPZQROJG-NEPJUHHUSA-N 1 0 280.393 3.483 20 5 CGBDRO CC[C@@H](C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276532 287156917 /nfs/dbraw/zinc/15/69/17/287156917.db2.gz IYIQHRJMYFOSPN-SECBINFHSA-N 1 0 256.733 3.479 20 5 CGBDRO CC(C)C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020201864 171066225 /nfs/dbraw/zinc/06/62/25/171066225.db2.gz BEVCTYCWDBVHER-CZUORRHYSA-N 1 0 293.411 3.222 20 5 CGBDRO CC(C)OCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000020526271 171239349 /nfs/dbraw/zinc/23/93/49/171239349.db2.gz KOVIOYVYFXUBMN-GFCCVEGCSA-N 1 0 266.341 3.061 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@H]2[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000284865033 196147012 /nfs/dbraw/zinc/14/70/12/196147012.db2.gz DJORXYGQHBNMOG-GOEBONIOSA-N 1 0 290.363 3.047 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccccc1 ZINC000035677534 172348537 /nfs/dbraw/zinc/34/85/37/172348537.db2.gz KRLICPBJAWEAEG-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1cccc(F)c1[N+](=O)[O-] ZINC000037420630 173197732 /nfs/dbraw/zinc/19/77/32/173197732.db2.gz ZDCPNSWKRGVKLW-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO CC(C)[NH+](CCNc1cccc(F)c1[N+](=O)[O-])C(C)C ZINC000037420533 173197829 /nfs/dbraw/zinc/19/78/29/173197829.db2.gz ZANJREFFFYLHGV-UHFFFAOYSA-N 1 0 283.347 3.265 20 5 CGBDRO CCCCOCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000040506752 174302329 /nfs/dbraw/zinc/30/23/29/174302329.db2.gz SWRNDMOVNKIJSD-UHFFFAOYSA-N 1 0 286.759 3.155 20 5 CGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000128069438 287302988 /nfs/dbraw/zinc/30/29/88/287302988.db2.gz JGIXOVAFIYVHRK-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000536829066 288504253 /nfs/dbraw/zinc/50/42/53/288504253.db2.gz VJHGSQMRZSIQEL-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO Cc1ccoc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180644 265358366 /nfs/dbraw/zinc/35/83/66/265358366.db2.gz ZIMVPGIEVMXZTB-CYBMUJFWSA-N 1 0 272.304 3.273 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000230405302 270089037 /nfs/dbraw/zinc/08/90/37/270089037.db2.gz KZHRVTASWLWWIK-WCQYABFASA-N 1 0 262.353 3.429 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1C[C@H]1C ZINC000321704001 270093413 /nfs/dbraw/zinc/09/34/13/270093413.db2.gz UHDONKNOUXUWFZ-HONMWMINSA-N 1 0 262.353 3.427 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959476 270211531 /nfs/dbraw/zinc/21/15/31/270211531.db2.gz DKSBFBSMVSNMHJ-ZIAGYGMSSA-N 1 0 293.411 3.284 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1cc(C)c([N+](=O)[O-])cc1F ZINC000359894006 273642071 /nfs/dbraw/zinc/64/20/71/273642071.db2.gz DHNKMMCJENMPDH-LLVKDONJSA-N 1 0 283.347 3.185 20 5 CGBDRO C[C@@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728607 274247682 /nfs/dbraw/zinc/24/76/82/274247682.db2.gz MOOMDJJVOCPHSY-KGLIPLIRSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000247189788 274520285 /nfs/dbraw/zinc/52/02/85/274520285.db2.gz UHZJUMZMILBMQT-SRMUXQRQSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1cccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000051669011 274791815 /nfs/dbraw/zinc/79/18/15/274791815.db2.gz UNULZRLOCWBKHR-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1cccnc1)CCC2 ZINC000192591341 275037939 /nfs/dbraw/zinc/03/79/39/275037939.db2.gz HAFYIWOWFPQDGS-INIZCTEOSA-N 1 0 283.331 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC3)CCC2 ZINC000335247831 275038037 /nfs/dbraw/zinc/03/80/37/275038037.db2.gz DWPJUKSGSWFLQR-UONOGXRCSA-N 1 0 258.321 3.114 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCSCC1 ZINC000273347484 275039953 /nfs/dbraw/zinc/03/99/53/275039953.db2.gz AFMBMQMVQJNYPD-ZZXKWVIFSA-N 1 0 278.377 3.047 20 5 CGBDRO CCOC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000459708455 276330459 /nfs/dbraw/zinc/33/04/59/276330459.db2.gz JVCMSVDDKXBIOW-INIZCTEOSA-N 1 0 292.379 3.028 20 5 CGBDRO CC[N@H+](C[C@@H]1CCCO1)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000270768951 276351403 /nfs/dbraw/zinc/35/14/03/276351403.db2.gz LCJGRHOXHLUBMZ-STQMWFEESA-N 1 0 278.352 3.157 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000362977162 276419076 /nfs/dbraw/zinc/41/90/76/276419076.db2.gz PDIPPHKMQNHWBH-IAQYHMDHSA-N 1 0 280.368 3.054 20 5 CGBDRO COC1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000414180652 277477703 /nfs/dbraw/zinc/47/77/03/277477703.db2.gz LPSCCPYJHYYJEJ-NUYPLMSZSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)OCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177159 277678632 /nfs/dbraw/zinc/67/86/32/277678632.db2.gz RTPZVDQEYGLWMK-LBPRGKRZSA-N 1 0 266.341 3.061 20 5 CGBDRO CO[C@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000291048990 277773819 /nfs/dbraw/zinc/77/38/19/277773819.db2.gz MROXRHLSDFHDGP-CQSZACIVSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000352803671 278870341 /nfs/dbraw/zinc/87/03/41/278870341.db2.gz ZAMUTXZHLQILRQ-KCJUWKMLSA-N 1 0 286.784 3.089 20 5 CGBDRO C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000453318180 279462785 /nfs/dbraw/zinc/46/27/85/279462785.db2.gz ZZNHZLAHBWZKQT-LBPRGKRZSA-N 1 0 296.342 3.012 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(F)CC2)cc1[N+](=O)[O-] ZINC000527237838 288160102 /nfs/dbraw/zinc/16/01/02/288160102.db2.gz MSGFSEGIINEPOY-SNVBAGLBSA-N 1 0 252.289 3.056 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCCSCC1 ZINC000272370989 281021232 /nfs/dbraw/zinc/02/12/32/281021232.db2.gz AVHXMOAHSAXUHG-LBPRGKRZSA-N 1 0 280.393 3.403 20 5 CGBDRO Cc1ccnc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1[N+](=O)[O-] ZINC000265243876 281470096 /nfs/dbraw/zinc/47/00/96/281470096.db2.gz PFWOAQZYUJUXJT-UHFFFAOYSA-N 1 0 292.383 3.019 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000531725676 288343597 /nfs/dbraw/zinc/34/35/97/288343597.db2.gz MLRJLNHKUQSGNN-MELADBBJSA-N 1 0 291.395 3.037 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531728115 288343870 /nfs/dbraw/zinc/34/38/70/288343870.db2.gz AEOYCUZBDVJEOC-SGIREYDYSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1F ZINC000550930048 289091101 /nfs/dbraw/zinc/09/11/01/289091101.db2.gz BSUVEKPZZIFHTI-LEWSCRJBSA-N 1 0 266.316 3.444 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H]1C ZINC000552320980 289181254 /nfs/dbraw/zinc/18/12/54/289181254.db2.gz IPLCAMCWJAPLLX-SCRDCRAPSA-N 1 0 262.353 3.304 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000553489327 289227104 /nfs/dbraw/zinc/22/71/04/289227104.db2.gz ZMKCZXZLEWCWIV-GHMZBOCLSA-N 1 0 281.331 3.019 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H](C)F ZINC000556231418 289378867 /nfs/dbraw/zinc/37/88/67/289378867.db2.gz ADRXXNAUOCKYFN-NWDGAFQWSA-N 1 0 268.332 3.254 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000459776465 293903576 /nfs/dbraw/zinc/90/35/76/293903576.db2.gz VIJDPWSDFMBRSJ-KCPJHIHWSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000388777309 328301596 /nfs/dbraw/zinc/30/15/96/328301596.db2.gz INLCDCCJJJPSMS-SWLSCSKDSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CO1 ZINC000566219949 322110015 /nfs/dbraw/zinc/11/00/15/322110015.db2.gz IEYVNAHIDMJLED-HFAKWTLXSA-N 1 0 290.363 3.084 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000566476305 322125419 /nfs/dbraw/zinc/12/54/19/322125419.db2.gz XIDWRCRTCPOALJ-CQDKDKBSSA-N 1 0 272.348 3.218 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1(CF)CCC1 ZINC000566573055 322130339 /nfs/dbraw/zinc/13/03/39/322130339.db2.gz WJGGBLOOCXBVFA-LBPRGKRZSA-N 1 0 264.300 3.064 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)N[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000569585780 322251284 /nfs/dbraw/zinc/25/12/84/322251284.db2.gz PERZRZWEYDJRCN-UONOGXRCSA-N 1 0 293.411 3.366 20 5 CGBDRO CC(C)[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000570076789 322264281 /nfs/dbraw/zinc/26/42/81/322264281.db2.gz IPZKQEHLVGXNMR-LLVKDONJSA-N 1 0 275.352 3.253 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC1CCC1 ZINC000571375383 322297122 /nfs/dbraw/zinc/29/71/22/322297122.db2.gz MCNFJXPFJLDXHF-OCCSQVGLSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)=CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000174246622 335151267 /nfs/dbraw/zinc/15/12/67/335151267.db2.gz UAXFTHCYRZGDHJ-UHFFFAOYSA-N 1 0 290.363 3.404 20 5 CGBDRO CC(C)(C)[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000576180855 335165895 /nfs/dbraw/zinc/16/58/95/335165895.db2.gz SROQFEOSRHCRNY-UHFFFAOYSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@H](CC1CC1)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000576546237 335217681 /nfs/dbraw/zinc/21/76/81/335217681.db2.gz ODOMHTFIRJVYNH-LLVKDONJSA-N 1 0 287.363 3.397 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCC1(F)CCC1 ZINC000577625625 335381090 /nfs/dbraw/zinc/38/10/90/335381090.db2.gz NWKAMTAIYCYGAU-CYBMUJFWSA-N 1 0 278.327 3.454 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cccc1[N+](=O)[O-] ZINC000380899291 336038950 /nfs/dbraw/zinc/03/89/50/336038950.db2.gz MXKBHSTZKMFKFD-XBFCOCLRSA-N 1 0 260.337 3.181 20 5 CGBDRO CCC1([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCCC1 ZINC000382587427 336094784 /nfs/dbraw/zinc/09/47/84/336094784.db2.gz XXCBUJZHCNZZPA-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO CCC1([NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000382596485 336094852 /nfs/dbraw/zinc/09/48/52/336094852.db2.gz IZBBDCWKGCGIGD-UHFFFAOYSA-N 1 0 254.355 3.469 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CC)[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000386720764 336177596 /nfs/dbraw/zinc/17/75/96/336177596.db2.gz RZEMFYMCZVABTL-GLQYFDAESA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1cc(N)cc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000423489396 533886346 /nfs/dbraw/zinc/88/63/46/533886346.db2.gz WKHNMWNQGSKJLS-GFCCVEGCSA-N 1 0 285.347 3.336 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCCC1 ZINC000449072169 534254236 /nfs/dbraw/zinc/25/42/36/534254236.db2.gz JWDJMLVGUGMSQW-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049094172 521936924 /nfs/dbraw/zinc/93/69/24/521936924.db2.gz BUDHWZHLFOHCEZ-QWRGUYRKSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)CCC1(F)F ZINC000289864646 524604829 /nfs/dbraw/zinc/60/48/29/524604829.db2.gz QLPNAZWJTFCHDQ-NSHDSACASA-N 1 0 284.306 3.114 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CC12CC2 ZINC000418105989 527528097 /nfs/dbraw/zinc/52/80/97/527528097.db2.gz YRDDWFKDOPFUTC-WEKMIXOTSA-N 1 0 272.348 3.388 20 5 CGBDRO CC(C)CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447540213 527704948 /nfs/dbraw/zinc/70/49/48/527704948.db2.gz ISMDAXHNEAQBFR-KBPBESRZSA-N 1 0 294.399 3.301 20 5 CGBDRO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449177765 527831946 /nfs/dbraw/zinc/83/19/46/527831946.db2.gz TVHXTNPRHYFJSB-SCRDCRAPSA-N 1 0 262.353 3.304 20 5 CGBDRO CCC[C@@H](NC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423264153 529009980 /nfs/dbraw/zinc/00/99/80/529009980.db2.gz BOVRCPBLDUCLOJ-HUUCEWRRSA-N 1 0 279.384 3.009 20 5 CGBDRO O=[N+]([O-])c1cnn(C[N@@H+]2CCC[C@H]2CC2CCCCC2)c1 ZINC000747077747 572907944 /nfs/dbraw/zinc/90/79/44/572907944.db2.gz YHTQKLPXASTPLJ-AWEZNQCLSA-N 1 0 292.383 3.184 20 5 CGBDRO COC1CCC(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000749883866 573050318 /nfs/dbraw/zinc/05/03/18/573050318.db2.gz VDTBOCALOUQAJH-HSBZDZAISA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c(C[N@H+](C)Cc2ccc(O)cc2)cccc1[N+](=O)[O-] ZINC000750606610 573155237 /nfs/dbraw/zinc/15/52/37/573155237.db2.gz OVZCYYFRZQSCIN-UHFFFAOYSA-N 1 0 286.331 3.241 20 5 CGBDRO CCO[C@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000932970945 618112447 /nfs/dbraw/zinc/11/24/47/618112447.db2.gz YTBBXGHRLZOGIO-OCCSQVGLSA-N 1 0 278.352 3.075 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC1CC1 ZINC000090740000 618157799 /nfs/dbraw/zinc/15/77/99/618157799.db2.gz SXECJJRMDNODAD-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO CCC[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000048770423 618596129 /nfs/dbraw/zinc/59/61/29/618596129.db2.gz MVNHOQQHHGDVLR-GXTWGEPZSA-N 1 0 262.353 3.306 20 5 CGBDRO CS[C@H]1CC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1 ZINC000235116410 618665548 /nfs/dbraw/zinc/66/55/48/618665548.db2.gz IHPLDZGJFBAUOE-STQMWFEESA-N 1 0 280.393 3.277 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000310286138 618786098 /nfs/dbraw/zinc/78/60/98/618786098.db2.gz MHGCCJVMOPUQEW-KCJUWKMLSA-N 1 0 299.168 3.245 20 5 CGBDRO C[C@H]1COC[C@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000925514999 619008380 /nfs/dbraw/zinc/00/83/80/619008380.db2.gz RFLZGDLMYIXYBD-UWVGGRQHSA-N 1 0 298.770 3.009 20 5 CGBDRO C[NH+](C)C1(C)CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000894847717 619651526 /nfs/dbraw/zinc/65/15/26/619651526.db2.gz FBLKZUBZPVGFNK-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894974195 619689661 /nfs/dbraw/zinc/68/96/61/619689661.db2.gz DJBHXDGCJHWCAP-CHWSQXEVSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C(C)C ZINC000049130364 619701649 /nfs/dbraw/zinc/70/16/49/619701649.db2.gz AJGFIIKYSCYQSY-CYBMUJFWSA-N 1 0 266.341 3.128 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896583360 620030601 /nfs/dbraw/zinc/03/06/01/620030601.db2.gz FWJPIXQPMAKFPY-ZVHGMHCTSA-N 1 0 290.363 3.109 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCc2cccnc21)c1ccccc1[N+](=O)[O-] ZINC000897460123 620340207 /nfs/dbraw/zinc/34/02/07/620340207.db2.gz QFIFQWJFGDRXEV-SWLSCSKDSA-N 1 0 297.358 3.370 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463447 620340572 /nfs/dbraw/zinc/34/05/72/620340572.db2.gz GDRQDSMMAXMGAH-ZKYQVNSYSA-N 1 0 280.393 3.182 20 5 CGBDRO Cc1ccoc1C[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463678 620340683 /nfs/dbraw/zinc/34/06/83/620340683.db2.gz BETBQDGIASEQBD-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO CC(C)[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463987 620340758 /nfs/dbraw/zinc/34/07/58/620340758.db2.gz DTYURDXPGOLWOA-NWDGAFQWSA-N 1 0 250.342 3.332 20 5 CGBDRO CCO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000903080005 621560507 /nfs/dbraw/zinc/56/05/07/621560507.db2.gz HKPFHIHVYNONCB-CABCVRRESA-N 1 0 292.379 3.341 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCCSC)cc([N+](=O)[O-])c1 ZINC000903098331 621572033 /nfs/dbraw/zinc/57/20/33/621572033.db2.gz NIUYEHNYNBSMHS-SNVBAGLBSA-N 1 0 284.381 3.007 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCOC(C)(C)C)cc([N+](=O)[O-])c1 ZINC000903134225 621593853 /nfs/dbraw/zinc/59/38/53/621593853.db2.gz BVAIKGWEWFQYBM-LLVKDONJSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000903245215 621637074 /nfs/dbraw/zinc/63/70/74/621637074.db2.gz KKRMTKNQZKZUJJ-CMPLNLGQSA-N 1 0 289.335 3.346 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCO[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000903264862 621649642 /nfs/dbraw/zinc/64/96/42/621649642.db2.gz HVJNZRWXOQKXOB-XFJVYGCCSA-N 1 0 290.363 3.121 20 5 CGBDRO COCC[C@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903287441 621670709 /nfs/dbraw/zinc/67/07/09/621670709.db2.gz PCIXSYFLRKAETI-XPKDYRNWSA-N 1 0 292.379 3.451 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000903332073 621706240 /nfs/dbraw/zinc/70/62/40/621706240.db2.gz PPEWKMJXERYGAU-VXGBXAGGSA-N 1 0 280.368 3.367 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C/C=C/Cl)cc([N+](=O)[O-])c1 ZINC000903444756 621755202 /nfs/dbraw/zinc/75/52/02/621755202.db2.gz QRCBGUSWJJYXMX-CDAZIORVSA-N 1 0 270.716 3.007 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C\Cl)C1CC1 ZINC000903443899 621755951 /nfs/dbraw/zinc/75/59/51/621755951.db2.gz LMHJVLKKTATSGG-UJYKQDJBSA-N 1 0 280.755 3.258 20 5 CGBDRO CCC[C@H](C)CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000905423985 622073339 /nfs/dbraw/zinc/07/33/39/622073339.db2.gz ZUPAHXMDEJQGJI-WFASDCNBSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CCC1 ZINC000230313584 623232785 /nfs/dbraw/zinc/23/27/85/623232785.db2.gz YDEQXFVHEZMJTK-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@H]1Cc2cc(C[NH2+]Cc3ccccc3[N+](=O)[O-])ccc2O1 ZINC000921546698 625667300 /nfs/dbraw/zinc/66/73/00/625667300.db2.gz GLQFGWMOHOCEJL-LBPRGKRZSA-N 1 0 298.342 3.208 20 5 CGBDRO C[C@H]([NH2+]CCCCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000180446364 624752691 /nfs/dbraw/zinc/75/26/91/624752691.db2.gz PORDQEJFRXZSJG-ZDUSSCGKSA-N 1 0 280.368 3.188 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000922842204 626056061 /nfs/dbraw/zinc/05/60/61/626056061.db2.gz KPHBTAVSDNAMHM-FAQJLRJSSA-N 1 0 292.404 3.482 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@H]1CCSC1 ZINC000228567079 626084140 /nfs/dbraw/zinc/08/41/40/626084140.db2.gz MZKFOVAZJJHWMZ-SECBINFHSA-N 1 0 286.784 3.091 20 5 CGBDRO CC(C)[N@H+](C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124773313 634505803 /nfs/dbraw/zinc/50/58/03/634505803.db2.gz JWOGTAIVLUZFSR-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO Cc1nn(CN2CCC(CC(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000760398085 626965977 /nfs/dbraw/zinc/96/59/77/626965977.db2.gz IPGRWVMCDYBYPZ-UHFFFAOYSA-N 1 0 294.399 3.124 20 5 CGBDRO CC[N@H+](CCC1CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000760536516 626977388 /nfs/dbraw/zinc/97/73/88/626977388.db2.gz GNZLOSDBLWSFMX-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO CC(C)[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCC1 ZINC000769929515 627590195 /nfs/dbraw/zinc/59/01/95/627590195.db2.gz ZVDBOWLUKVUFSS-INIZCTEOSA-N 1 0 292.379 3.139 20 5 CGBDRO Cc1cc(NCC[N@@H+](C)C2CC2)c(Cl)cc1[N+](=O)[O-] ZINC000774525760 628001507 /nfs/dbraw/zinc/00/15/07/628001507.db2.gz QRYGQBQFMDWSLC-UHFFFAOYSA-N 1 0 283.759 3.063 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2C3CCCC2CCC3)cc1 ZINC000776588599 628221808 /nfs/dbraw/zinc/22/18/08/628221808.db2.gz MMBIPJFCOMUQMD-XUJLQICISA-N 1 0 290.363 3.035 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC=CO1 ZINC000783303178 628701201 /nfs/dbraw/zinc/70/12/01/628701201.db2.gz HFTHRTJPYCIKRA-ZFWWWQNUSA-N 1 0 290.363 3.198 20 5 CGBDRO CCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC000786818541 628965285 /nfs/dbraw/zinc/96/52/85/628965285.db2.gz IMVQDHUJRGLBRM-UHFFFAOYSA-N 1 0 285.775 3.026 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788500346 629060000 /nfs/dbraw/zinc/06/00/00/629060000.db2.gz ATLCTNLKPOXVEF-SECBINFHSA-N 1 0 277.349 3.089 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862518 629388102 /nfs/dbraw/zinc/38/81/02/629388102.db2.gz MCOYAOOXZPXFFK-LBPRGKRZSA-N 1 0 293.323 3.268 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000792865476 629388177 /nfs/dbraw/zinc/38/81/77/629388177.db2.gz BYTPHBPJYDMACV-GHMZBOCLSA-N 1 0 293.323 3.123 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862517804 629390240 /nfs/dbraw/zinc/39/02/40/629390240.db2.gz USQIOLCCCQCDIX-PUXPGTEJSA-N 1 0 298.770 3.150 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CCC1 ZINC000793352456 629446327 /nfs/dbraw/zinc/44/63/27/629446327.db2.gz NWKFLCPURFHMNJ-UHFFFAOYSA-N 1 0 293.323 3.125 20 5 CGBDRO Cc1ccc(CSCC2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000864618912 629878858 /nfs/dbraw/zinc/87/88/58/629878858.db2.gz BLJYSWDMFYPLEF-UHFFFAOYSA-N 1 0 280.393 3.136 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000800246310 630255785 /nfs/dbraw/zinc/25/57/85/630255785.db2.gz FLCWOUZBMXWTFY-JTQLQIEISA-N 1 0 286.759 3.151 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815588804 631802724 /nfs/dbraw/zinc/80/27/24/631802724.db2.gz ZMFIOGZQBWJHCX-GYSYKLTISA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1(C)CC1 ZINC000815604280 631804620 /nfs/dbraw/zinc/80/46/20/631804620.db2.gz JOXODRUMUYGHSS-VHSXEESVSA-N 1 0 263.341 3.016 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815615565 631805338 /nfs/dbraw/zinc/80/53/38/631805338.db2.gz RTYHDAOQSMDAQP-PWSUYJOCSA-N 1 0 295.408 3.113 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000817414215 632143349 /nfs/dbraw/zinc/14/33/49/632143349.db2.gz CKBKNBKEIIVHMR-STQMWFEESA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H]1CC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H](C)C1 ZINC000819092640 632377981 /nfs/dbraw/zinc/37/79/81/632377981.db2.gz BBBSNDZXJZOLQA-HSMVNMDESA-N 1 0 292.379 3.043 20 5 CGBDRO CC(C)(CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819334386 632432610 /nfs/dbraw/zinc/43/26/10/632432610.db2.gz HYOWELGBRDAWQX-OAHLLOKOSA-N 1 0 292.379 3.044 20 5 CGBDRO CC(C)(CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819334384 632432682 /nfs/dbraw/zinc/43/26/82/632432682.db2.gz HYOWELGBRDAWQX-HNNXBMFYSA-N 1 0 292.379 3.044 20 5 CGBDRO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344023 632434925 /nfs/dbraw/zinc/43/49/25/632434925.db2.gz UEFQYBMPINSVAI-CJNGLKHVSA-N 1 0 292.379 3.353 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1 ZINC000866282268 633064475 /nfs/dbraw/zinc/06/44/75/633064475.db2.gz HBTSCRJBLYNFJJ-MFKMUULPSA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc[nH]1 ZINC000866310931 633077021 /nfs/dbraw/zinc/07/70/21/633077021.db2.gz HGRUVWZBAGVABP-MNOVXSKESA-N 1 0 291.326 3.344 20 5 CGBDRO Cc1ccoc1C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364837 633103475 /nfs/dbraw/zinc/10/34/75/633103475.db2.gz QGNUSXWFLOZCOI-NSHDSACASA-N 1 0 292.310 3.356 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)CSCCF)cc1[N+](=O)[O-] ZINC000866540538 633183212 /nfs/dbraw/zinc/18/32/12/633183212.db2.gz QGKXKBBAVVLRCX-LLVKDONJSA-N 1 0 286.372 3.084 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000866635989 633224568 /nfs/dbraw/zinc/22/45/68/633224568.db2.gz VXQWEYULSOOXPM-GZBFAFLISA-N 1 0 294.395 3.055 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCCS2)c1 ZINC000122015836 633296935 /nfs/dbraw/zinc/29/69/35/633296935.db2.gz YORWTMJCEQEXIT-LLVKDONJSA-N 1 0 286.784 3.233 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000871931490 633918960 /nfs/dbraw/zinc/91/89/60/633918960.db2.gz GFWCJHTUSLFVTD-RSUWNVLCSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccco1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019410 633939656 /nfs/dbraw/zinc/93/96/56/633939656.db2.gz WLXDJCDPOVDJGZ-SNVBAGLBSA-N 1 0 278.283 3.220 20 5 CGBDRO CC(C)COCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872019103 633939840 /nfs/dbraw/zinc/93/98/40/633939840.db2.gz SNSZJKBKWPTMLV-GFCCVEGCSA-N 1 0 298.358 3.447 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC1 ZINC000872027941 633947292 /nfs/dbraw/zinc/94/72/92/633947292.db2.gz OHTQOWWZWBKTCK-QWRGUYRKSA-N 1 0 296.392 3.004 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCF ZINC000872047950 633970418 /nfs/dbraw/zinc/97/04/18/633970418.db2.gz DYGBLZQKVSNQMV-VIFPVBQESA-N 1 0 272.345 3.327 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCOC1 ZINC000872066053 633988409 /nfs/dbraw/zinc/98/84/09/633988409.db2.gz JOUBBGHOGLNSSU-GJZGRUSLSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070474 633992192 /nfs/dbraw/zinc/99/21/92/633992192.db2.gz CXIOSDGLYCSAHV-SDDRHHMPSA-N 1 0 296.342 3.057 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073361 633996039 /nfs/dbraw/zinc/99/60/39/633996039.db2.gz PHKQVSLWFNJNCQ-NSHDSACASA-N 1 0 298.358 3.447 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080659 634005141 /nfs/dbraw/zinc/00/51/41/634005141.db2.gz BPKUOIWOZZOVBX-MMWGEVLESA-N 1 0 264.300 3.183 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1COC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084026 634009272 /nfs/dbraw/zinc/00/92/72/634009272.db2.gz CRYBUMDCKBTFML-MNOVXSKESA-N 1 0 294.326 3.096 20 5 CGBDRO COCCC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873081505 634243055 /nfs/dbraw/zinc/24/30/55/634243055.db2.gz IQBHKTIHVKKUBQ-UHFFFAOYSA-N 1 0 292.379 3.118 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@H]1CCOC1 ZINC000873129988 634252655 /nfs/dbraw/zinc/25/26/55/634252655.db2.gz WBPRQOYROFMUDS-AWEZNQCLSA-N 1 0 292.379 3.118 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2CCOC(C)(C)C2)cccc1[N+](=O)[O-] ZINC000873129866 634252689 /nfs/dbraw/zinc/25/26/89/634252689.db2.gz RZGVLVXPNNZZPR-ZDUSSCGKSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873184003 634273245 /nfs/dbraw/zinc/27/32/45/634273245.db2.gz WZHGRKLWZVEMGQ-HZSPNIEDSA-N 1 0 292.379 3.451 20 5 CGBDRO CC(C)n1cc(CN[C@H](C)c2ccccc2[N+](=O)[O-])cn1 ZINC000873184154 634273773 /nfs/dbraw/zinc/27/37/73/634273773.db2.gz DFYSALCEMRGYNV-GFCCVEGCSA-N 1 0 288.351 3.223 20 5 CGBDRO CSC(C)(C)CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000877124174 634990982 /nfs/dbraw/zinc/99/09/82/634990982.db2.gz KNTSVXVYFLHXDZ-UHFFFAOYSA-N 1 0 282.409 3.259 20 5 CGBDRO C[C@H]1CCC[C@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877464990 635047475 /nfs/dbraw/zinc/04/74/75/635047475.db2.gz QKJICWUAUOWISK-FEPKRQSRSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000877561514 635090626 /nfs/dbraw/zinc/09/06/26/635090626.db2.gz HRJXWKOMZNMJBA-OAHLLOKOSA-N 1 0 260.337 3.196 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000126715913 635195201 /nfs/dbraw/zinc/19/52/01/635195201.db2.gz COLITWNVWASVMQ-GWCFXTLKSA-N 1 0 292.360 3.041 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 ZINC000126716147 635195551 /nfs/dbraw/zinc/19/55/51/635195551.db2.gz COLITWNVWASVMQ-MFKMUULPSA-N 1 0 292.360 3.041 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000877827561 635229551 /nfs/dbraw/zinc/22/95/51/635229551.db2.gz BNQOSUJYNZCRMD-LALPHHSUSA-N 1 0 280.368 3.307 20 5 CGBDRO CO[C@H]1C[C@@H](C[N@H+](C)Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000878207132 635414438 /nfs/dbraw/zinc/41/44/38/635414438.db2.gz GKASQVYJEQQHQQ-GSJFWJNXSA-N 1 0 298.770 3.105 20 5 CGBDRO CCC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C(C)C ZINC000847033151 636319863 /nfs/dbraw/zinc/31/98/63/636319863.db2.gz NXDONFCDCFYWRM-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO Cc1cccc(NC(=[NH2+])NCCc2cccc([N+](=O)[O-])c2)c1 ZINC000849001559 636710929 /nfs/dbraw/zinc/71/09/29/636710929.db2.gz ZTARWGLZTBFHBT-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccoc2)cc1[N+](=O)[O-] ZINC000133951888 636990400 /nfs/dbraw/zinc/99/04/00/636990400.db2.gz MYUQSPIRIVVZHH-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[C@H](O)c2ccccc21 ZINC000850372943 637036369 /nfs/dbraw/zinc/03/63/69/637036369.db2.gz BLUFRXPQZKFYDQ-SJORKVTESA-N 1 0 298.342 3.171 20 5 CGBDRO C[C@H]1CCC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018537 637367114 /nfs/dbraw/zinc/36/71/14/637367114.db2.gz BXUYYDHLURWGFU-RYUDHWBXSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886021365 637368819 /nfs/dbraw/zinc/36/88/19/637368819.db2.gz UXCXRCHJZQFKNY-YRGRVCCFSA-N 1 0 275.352 3.143 20 5 CGBDRO CC(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886129807 637428404 /nfs/dbraw/zinc/42/84/04/637428404.db2.gz ONJXQFRLZMDHKX-UONOGXRCSA-N 1 0 277.368 3.294 20 5 CGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886141037 637433424 /nfs/dbraw/zinc/43/34/24/637433424.db2.gz VZAUTRHSAALTRN-GXTWGEPZSA-N 1 0 277.368 3.438 20 5 CGBDRO CC(C)C[C@]1(C)CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886222921 637464831 /nfs/dbraw/zinc/46/48/31/637464831.db2.gz DATSWRLAPZBDKQ-HNNXBMFYSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000926948149 638828205 /nfs/dbraw/zinc/82/82/05/638828205.db2.gz CJHVBVUDVYENPG-UBHAPETDSA-N 1 0 288.269 3.444 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000927031188 638833994 /nfs/dbraw/zinc/83/39/94/638833994.db2.gz ZGCPLLHLDGEJDQ-GJZGRUSLSA-N 1 0 280.368 3.187 20 5 CGBDRO CC(C)Sc1ccc([C@@H](C)[NH2+]CC[N+](=O)[O-])cc1 ZINC000930214276 638983252 /nfs/dbraw/zinc/98/32/52/638983252.db2.gz MQXBFAFNITYECW-LLVKDONJSA-N 1 0 268.382 3.114 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccns1 ZINC000858577204 638997020 /nfs/dbraw/zinc/99/70/20/638997020.db2.gz QKPMTNLMUVDENT-BXKDBHETSA-N 1 0 289.360 3.389 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2ccco2)c1 ZINC000035661411 639025295 /nfs/dbraw/zinc/02/52/95/639025295.db2.gz VIZBDGXXPLUNSC-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934776418 639673787 /nfs/dbraw/zinc/67/37/87/639673787.db2.gz DLTRYQFJDVOQEH-JMSVASOKSA-N 1 0 292.404 3.341 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC001159472905 806109126 /nfs/dbraw/zinc/10/91/26/806109126.db2.gz WEXBFUCQTRIPLT-UHFFFAOYSA-N 1 0 269.304 3.250 20 5 CGBDRO [NH3+]CCc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001159646112 806140827 /nfs/dbraw/zinc/14/08/27/806140827.db2.gz NEMHXVAAOWOONF-UHFFFAOYSA-N 1 0 291.738 3.493 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001159919537 806199409 /nfs/dbraw/zinc/19/94/09/806199409.db2.gz MKVJCVXTCQKMAR-MRXNPFEDSA-N 1 0 299.330 3.079 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1cccnc1 ZINC001254550276 806448175 /nfs/dbraw/zinc/44/81/75/806448175.db2.gz HCDRLERZSPJRNW-CYBMUJFWSA-N 1 0 285.347 3.053 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254553093 806449280 /nfs/dbraw/zinc/44/92/80/806449280.db2.gz SCLZJBMQGPCFKH-HIFRSBDPSA-N 1 0 292.379 3.027 20 5 CGBDRO CC(C)(C)CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568272 806452627 /nfs/dbraw/zinc/45/26/27/806452627.db2.gz ROJBLJYZFIKNSY-CYBMUJFWSA-N 1 0 262.353 3.088 20 5 CGBDRO C[N@H+](CCc1ccccc1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596386 806457167 /nfs/dbraw/zinc/45/71/67/806457167.db2.gz CWQLYMKEVSOYDF-GOSISDBHSA-N 1 0 296.370 3.237 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCc3ccccc31)C2 ZINC001254571746 806454058 /nfs/dbraw/zinc/45/40/58/806454058.db2.gz BBQRKZQHZMHIEG-YJBOKZPZSA-N 1 0 294.354 3.339 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576793 806454278 /nfs/dbraw/zinc/45/42/78/806454278.db2.gz ZLZMIHPLXQUQKH-DOMZBBRYSA-N 1 0 297.358 3.116 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576561 806454433 /nfs/dbraw/zinc/45/44/33/806454433.db2.gz XOJPVASHGLLVTC-ZBFHGGJFSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1(c3ccccc3)CC1)C2 ZINC001254584245 806455520 /nfs/dbraw/zinc/45/55/20/806455520.db2.gz RBVORCWFBKDBEB-INIZCTEOSA-N 1 0 294.354 3.341 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC1(F)F ZINC001254596733 806457383 /nfs/dbraw/zinc/45/73/83/806457383.db2.gz FUJIEQPLWTWQDF-QMTHXVAHSA-N 1 0 296.317 3.039 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCC3(CCC3)CC1)C2 ZINC001254594954 806457514 /nfs/dbraw/zinc/45/75/14/806457514.db2.gz UGYKZCVKYZBYFR-MRXNPFEDSA-N 1 0 286.375 3.328 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602636 806458307 /nfs/dbraw/zinc/45/83/07/806458307.db2.gz HFFYRLIPVXXXDB-ZBFHGGJFSA-N 1 0 274.364 3.327 20 5 CGBDRO CCCC[N@H+](CC)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598660 806458868 /nfs/dbraw/zinc/45/88/68/806458868.db2.gz LJZJZMKVZGPZAC-OAHLLOKOSA-N 1 0 262.353 3.184 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601369 806458914 /nfs/dbraw/zinc/45/89/14/806458914.db2.gz YTWPFAZDVIDYGZ-LRDDRELGSA-N 1 0 274.364 3.327 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602632 806459109 /nfs/dbraw/zinc/45/91/09/806459109.db2.gz HFFYRLIPVXXXDB-GDBMZVCRSA-N 1 0 274.364 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1C[C@@H]3CCCC[C@H]3C1)C2 ZINC001254606438 806460099 /nfs/dbraw/zinc/46/00/99/806460099.db2.gz GFBKXXLNUAOOQG-ZQIUZPCESA-N 1 0 286.375 3.184 20 5 CGBDRO CCC(CC)[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254603662 806460556 /nfs/dbraw/zinc/46/05/56/806460556.db2.gz PZCIUYBMRTYLQN-OAHLLOKOSA-N 1 0 262.353 3.182 20 5 CGBDRO CCC[N@H+](CC(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610023 806461350 /nfs/dbraw/zinc/46/13/50/806461350.db2.gz HQYKNFQHEXMXGB-MRXNPFEDSA-N 1 0 276.380 3.430 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCCc1ncc(C)cn1 ZINC001162245850 806540268 /nfs/dbraw/zinc/54/02/68/806540268.db2.gz HITWISPECXALNX-UHFFFAOYSA-N 1 0 299.442 3.036 20 5 CGBDRO [NH3+][C@@H]1CCC[C@H](Nc2cc3cccnc3c3ncccc23)C1 ZINC001162402474 806577311 /nfs/dbraw/zinc/57/73/11/806577311.db2.gz SGDCWTCRZXBWMM-KGLIPLIRSA-N 1 0 292.386 3.465 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000037562499 798869346 /nfs/dbraw/zinc/86/93/46/798869346.db2.gz BZTUSTGZHYUQLL-ONGXEEELSA-N 1 0 254.355 3.325 20 5 CGBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C(F)F)C1 ZINC000111290735 798983799 /nfs/dbraw/zinc/98/37/99/798983799.db2.gz QSTTUNPEKDPCLW-SNVBAGLBSA-N 1 0 299.321 3.286 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000159443074 799074714 /nfs/dbraw/zinc/07/47/14/799074714.db2.gz VXFDZCARZYWNCU-LBPRGKRZSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC[C@@H]2CCOC2)c1 ZINC000401950473 799559085 /nfs/dbraw/zinc/55/90/85/799559085.db2.gz ZFRIBTOPXONDEL-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])o1 ZINC000689830988 799768605 /nfs/dbraw/zinc/76/86/05/799768605.db2.gz JLLMGFITZRCZQG-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000694620379 799822991 /nfs/dbraw/zinc/82/29/91/799822991.db2.gz YBQPLIMWTKLMFD-JIMOISOXSA-N 1 0 264.300 3.012 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2ccns2)cccc1[N+](=O)[O-] ZINC000715976507 800156953 /nfs/dbraw/zinc/15/69/53/800156953.db2.gz HWZGMXAOAWCRME-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cs1 ZINC000716041746 800161407 /nfs/dbraw/zinc/16/14/07/800161407.db2.gz JFVIBPCBODFVJW-CLYYMRHHSA-N 1 0 298.433 3.420 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000716890269 800184086 /nfs/dbraw/zinc/18/40/86/800184086.db2.gz IFBOSFITJXPEMF-SGMGOOAPSA-N 1 0 280.368 3.103 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCC=CCC2)c(F)c1 ZINC000718084010 800210784 /nfs/dbraw/zinc/21/07/84/800210784.db2.gz YZFFWHFJSXOZKD-UHFFFAOYSA-N 1 0 264.300 3.322 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000718738509 800220669 /nfs/dbraw/zinc/22/06/69/800220669.db2.gz YPZQJKSFOHDHJL-ZFWWWQNUSA-N 1 0 278.352 3.032 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000718732028 800220875 /nfs/dbraw/zinc/22/08/75/800220875.db2.gz IBJUMLQRELJQPR-ZIAGYGMSSA-N 1 0 278.352 3.032 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000720244713 800254887 /nfs/dbraw/zinc/25/48/87/800254887.db2.gz AIGMHMSYHUDLGP-QWRGUYRKSA-N 1 0 266.341 3.059 20 5 CGBDRO Cc1ccc(C[NH2+]CC2(C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000720913550 800271810 /nfs/dbraw/zinc/27/18/10/800271810.db2.gz WVGNASBAKHCZCH-UHFFFAOYSA-N 1 0 284.306 3.428 20 5 CGBDRO Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)ccc1[N+](=O)[O-] ZINC001116032784 802293404 /nfs/dbraw/zinc/29/34/04/802293404.db2.gz QFXHSKVWODBPHN-HIFRSBDPSA-N 1 0 277.368 3.188 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCc1ccc(N)nc1C ZINC001167786537 807251785 /nfs/dbraw/zinc/25/17/85/807251785.db2.gz ULJUQSLKDVVFPC-UHFFFAOYSA-N 1 0 299.442 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C(F)F)C1 ZINC001168961867 807541918 /nfs/dbraw/zinc/54/19/18/807541918.db2.gz KKGLFUHJPPBQDS-PWSUYJOCSA-N 1 0 284.306 3.159 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCC(C(F)(F)F)CC2)C1 ZINC001168967345 807543013 /nfs/dbraw/zinc/54/30/13/807543013.db2.gz OWLCFCMBTQEKOW-XKGSQUFQSA-N 1 0 294.317 3.143 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001168963938 807543038 /nfs/dbraw/zinc/54/30/38/807543038.db2.gz QQNWLYOMOASOEU-YPMHNXCESA-N 1 0 284.306 3.159 20 5 CGBDRO CCCCCC[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168978778 807546034 /nfs/dbraw/zinc/54/60/34/807546034.db2.gz UDLMGARAMHJRTP-MJBXVCDLSA-N 1 0 256.390 3.380 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001168988287 807547922 /nfs/dbraw/zinc/54/79/22/807547922.db2.gz QJZVGKXYMIIRHN-DCAQKATOSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CCC2)C1 ZINC001168996029 807548943 /nfs/dbraw/zinc/54/89/43/807548943.db2.gz UGSWAJPBLRVQPG-STQMWFEESA-N 1 0 292.354 3.240 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169005441 807550507 /nfs/dbraw/zinc/55/05/07/807550507.db2.gz UKXMQOFILXHPKE-SNPRPXQTSA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC001169006240 807550515 /nfs/dbraw/zinc/55/05/15/807550515.db2.gz WVAZNCGXEZWHGD-UNEWFSDZSA-N 1 0 288.391 3.489 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC3(CCCC3)CC2)C1 ZINC001169010947 807551574 /nfs/dbraw/zinc/55/15/74/807551574.db2.gz GMVVBYNWNXQZQI-KBPBESRZSA-N 1 0 266.385 3.088 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]3CCCC[C@H]32)C1 ZINC001169037727 807555262 /nfs/dbraw/zinc/55/52/62/807555262.db2.gz TWSHPMMZJYIVQW-CBBWQLFWSA-N 1 0 266.385 3.086 20 5 CGBDRO C[N@H+](CCc1ccc(Cl)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034542 807555488 /nfs/dbraw/zinc/55/54/88/807555488.db2.gz HNSBKBXSDFVRIH-HIFRSBDPSA-N 1 0 296.798 3.260 20 5 CGBDRO C[N@H+](CCc1ccc(Cl)cc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169034543 807555806 /nfs/dbraw/zinc/55/58/06/807555806.db2.gz HNSBKBXSDFVRIH-UKRRQHHQSA-N 1 0 296.798 3.260 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036506 807556195 /nfs/dbraw/zinc/55/61/95/807556195.db2.gz GFARUBUXSKVDTO-AAEUAGOBSA-N 1 0 294.782 3.144 20 5 CGBDRO COc1ccc([C@H](C)[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169039512 807557042 /nfs/dbraw/zinc/55/70/42/807557042.db2.gz QMFRGAJDGUMRAZ-GZBFAFLISA-N 1 0 292.379 3.133 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001169048210 807559006 /nfs/dbraw/zinc/55/90/06/807559006.db2.gz TWSHPMMZJYIVQW-TUVASFSCSA-N 1 0 266.385 3.086 20 5 CGBDRO O=[N+]([O-])c1cc2c(cc1N[C@@H]1CCCC(F)(F)C1)C[NH2+]C2 ZINC001169219373 807605982 /nfs/dbraw/zinc/60/59/82/807605982.db2.gz UCPMCSQIMLSZRR-LLVKDONJSA-N 1 0 297.305 3.188 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170295918 807818778 /nfs/dbraw/zinc/81/87/78/807818778.db2.gz XYYJDOKBRXDCFV-NSHDSACASA-N 1 0 280.368 3.313 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]C2(C)CCC2)c([N+](=O)[O-])c1 ZINC001170297146 807819863 /nfs/dbraw/zinc/81/98/63/807819863.db2.gz KLHGNESETDPSJN-LLVKDONJSA-N 1 0 278.352 3.067 20 5 CGBDRO CC(C)(C)c1ccc(NC[C@@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171334000 808029342 /nfs/dbraw/zinc/02/93/42/808029342.db2.gz ISEIPRLJHKPUPR-ZDUSSCGKSA-N 1 0 291.395 3.446 20 5 CGBDRO C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001171381223 808040118 /nfs/dbraw/zinc/04/01/18/808040118.db2.gz KDEFFIQJDVHYGJ-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CSCC[N@H+](C)[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172911679 808475822 /nfs/dbraw/zinc/47/58/22/808475822.db2.gz DUERMEKZIIPTEX-CQSZACIVSA-N 1 0 294.420 3.137 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@@H]1F ZINC001172909947 808475960 /nfs/dbraw/zinc/47/59/60/808475960.db2.gz VYBBSWDQRHXTKF-XFJVYGCCSA-N 1 0 292.354 3.132 20 5 CGBDRO CC(C)(C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899476 808476480 /nfs/dbraw/zinc/47/64/80/808476480.db2.gz ZKLREYFIPBLEQJ-ZDUSSCGKSA-N 1 0 262.353 3.230 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)nc1 ZINC001173211328 808537293 /nfs/dbraw/zinc/53/72/93/808537293.db2.gz RLLXYHKYWBRODY-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@@H]1CCC[C@H]1F ZINC001173212230 808537537 /nfs/dbraw/zinc/53/75/37/808537537.db2.gz XVZXGURYMKNRGY-OSAQELSMSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccsc1 ZINC001173217316 808538415 /nfs/dbraw/zinc/53/84/15/808538415.db2.gz SVSLLTUCDOJIMZ-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H]1CCCCO1 ZINC001173214897 808538431 /nfs/dbraw/zinc/53/84/31/808538431.db2.gz RHYBLFVNAAIAFT-BBRMVZONSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccncc1 ZINC001173215683 808539107 /nfs/dbraw/zinc/53/91/07/808539107.db2.gz YNHSAFQLKFKHKT-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C1CCCC1 ZINC001173226380 808541016 /nfs/dbraw/zinc/54/10/16/808541016.db2.gz JGGNXXIUTGDOKF-LBPRGKRZSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC12CCC2 ZINC001173226723 808541441 /nfs/dbraw/zinc/54/14/41/808541441.db2.gz YYUKHMORMKDLSX-BXUZGUMPSA-N 1 0 260.337 3.058 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173228405 808541715 /nfs/dbraw/zinc/54/17/15/808541715.db2.gz WFQOFCXTNRPPDV-GXTWGEPZSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCC1CC1 ZINC001173232732 808542740 /nfs/dbraw/zinc/54/27/40/808542740.db2.gz HMFMYZSIORGQCH-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO C[NH+](C)Cc1ccc(Nc2ccc([N+](=O)[O-])cc2)cc1 ZINC001174477992 809033652 /nfs/dbraw/zinc/03/36/52/809033652.db2.gz HJPOZHZIDCZYJM-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001191406851 810710240 /nfs/dbraw/zinc/71/02/40/810710240.db2.gz AXWTVVFYVHGYRJ-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2cnsc2)cc1 ZINC001200844486 811754242 /nfs/dbraw/zinc/75/42/42/811754242.db2.gz IERUQPRZKKJPLM-UHFFFAOYSA-N 1 0 291.376 3.164 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC001202495089 812108964 /nfs/dbraw/zinc/10/89/64/812108964.db2.gz MJEOUODIXYMDTR-BZNIZROVSA-N 1 0 294.395 3.362 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccnn1-c1cc[nH+]cc1 ZINC001210955720 814692124 /nfs/dbraw/zinc/69/21/24/814692124.db2.gz KXGWOYCVZUECCG-UHFFFAOYSA-N 1 0 299.265 3.058 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C[NH2+]1 ZINC001218048145 816073006 /nfs/dbraw/zinc/07/30/06/816073006.db2.gz RVLYVDFXKOPGDT-RQJHMYQMSA-N 1 0 291.134 3.031 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218068742 816086035 /nfs/dbraw/zinc/08/60/35/816086035.db2.gz FTUISTFHEQFPEX-DLBZAZTESA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC23CC[NH2+]CC3)c(Cl)c1 ZINC001218081237 816088510 /nfs/dbraw/zinc/08/85/10/816088510.db2.gz SDPODVDZCUOMLC-ZDUSSCGKSA-N 1 0 296.754 3.159 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2C[C@H]3C[C@@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC001218113044 816101976 /nfs/dbraw/zinc/10/19/76/816101976.db2.gz XNSPGRQKZFSOIG-IXPVHAAZSA-N 1 0 290.363 3.022 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218124315 816108782 /nfs/dbraw/zinc/10/87/82/816108782.db2.gz RALRAHPUANDQQV-GOEBONIOSA-N 1 0 290.363 3.041 20 5 CGBDRO CC(C)(C)c1ccc(O[C@H]2C[C@H]3C[C@@H]2C[NH2+]3)c([N+](=O)[O-])c1 ZINC001218142684 816112142 /nfs/dbraw/zinc/11/21/42/816112142.db2.gz XNSPGRQKZFSOIG-HCKVZZMMSA-N 1 0 290.363 3.022 20 5 CGBDRO Cc1cc(OC2CCC3(C[NH2+]C3)CC2)cc(C)c1[N+](=O)[O-] ZINC001218263131 816145688 /nfs/dbraw/zinc/14/56/88/816145688.db2.gz XMEMUWALEPDPNA-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001218311058 816161297 /nfs/dbraw/zinc/16/12/97/816161297.db2.gz FGFHEIDQUSFJQX-LBPRGKRZSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218399175 816192413 /nfs/dbraw/zinc/19/24/13/816192413.db2.gz LMSWQQDBJITCGO-LLVKDONJSA-N 1 0 296.754 3.078 20 5 CGBDRO O=[N+]([O-])c1c(O[C@H]2C[NH2+]CCC23CC3)ccc2ccccc21 ZINC001218404821 816197291 /nfs/dbraw/zinc/19/72/91/816197291.db2.gz OGDBUUISIMAJDW-HNNXBMFYSA-N 1 0 298.342 3.269 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218489453 816243330 /nfs/dbraw/zinc/24/33/30/816243330.db2.gz OVRBRGHAKCGWGH-OAHLLOKOSA-N 1 0 298.342 3.435 20 5 CGBDRO C[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430720 816630132 /nfs/dbraw/zinc/63/01/32/816630132.db2.gz PQNSHFNGDFYPJW-ZIEJDFEHSA-N 1 0 290.363 3.298 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](OCCc2ccc([N+](=O)[O-])cc2)C1 ZINC001224333085 816779954 /nfs/dbraw/zinc/77/99/54/816779954.db2.gz AYKAWNCHTNUDRR-INIZCTEOSA-N 1 0 292.379 3.027 20 5 CGBDRO C[N+](C)(C)CCCO[C@H]1CC[C@H](C(F)(F)F)CC1 ZINC001224624803 816836266 /nfs/dbraw/zinc/83/62/66/816836266.db2.gz ZKWBLXYXGGFTCG-HAQNSBGRSA-N 1 0 268.343 3.220 20 5 CGBDRO COc1ccccc1[C@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224773109 816878191 /nfs/dbraw/zinc/87/81/91/816878191.db2.gz DJWYUPQSOOQPCU-ZDUSSCGKSA-N 1 0 292.321 3.021 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCCCCCOc1ccccc1 ZINC001224937426 816913434 /nfs/dbraw/zinc/91/34/34/816913434.db2.gz ZZDRUBURLPCGHI-MRXNPFEDSA-N 1 0 280.432 3.347 20 5 CGBDRO CCN(CC)c1cccc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001225236565 816973843 /nfs/dbraw/zinc/97/38/43/816973843.db2.gz BEQFMIYILJDPFA-AWEZNQCLSA-N 1 0 265.421 3.006 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225709855 817152601 /nfs/dbraw/zinc/15/26/01/817152601.db2.gz DUTWNLPQWVBEAL-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO C[NH+](C)[C@H]1CC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001225712874 817153115 /nfs/dbraw/zinc/15/31/15/817153115.db2.gz LESJEBPNAPUFNO-HAQNSBGRSA-N 1 0 298.770 3.500 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713587 817153158 /nfs/dbraw/zinc/15/31/58/817153158.db2.gz VGHOSTCBTUOTAL-LBPRGKRZSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H](C)C[N+](C)(C)C ZINC001226992707 817528291 /nfs/dbraw/zinc/52/82/91/817528291.db2.gz WRMFRIZVISQYRI-JTQLQIEISA-N 1 0 287.767 3.030 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cc([N+](=O)[O-])ccc1C ZINC001226995734 817529880 /nfs/dbraw/zinc/52/98/80/817529880.db2.gz NUYMIFNTKHTMMG-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO COc1ccc(C(F)(F)F)cc1O[C@H](C)C[N+](C)(C)C ZINC001227887859 817743764 /nfs/dbraw/zinc/74/37/64/817743764.db2.gz GTDSESFAAYCGJA-SNVBAGLBSA-N 1 0 292.321 3.188 20 5 CGBDRO COc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1C(F)(F)F ZINC001227899976 817748439 /nfs/dbraw/zinc/74/84/39/817748439.db2.gz RHOKCJVDZDJRPA-JTQLQIEISA-N 1 0 292.321 3.188 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2cccc(Cl)c2n1 ZINC001231400549 818092042 /nfs/dbraw/zinc/09/20/42/818092042.db2.gz UDALMDSVELISFT-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cc(Cl)cnc21 ZINC001233995403 818749804 /nfs/dbraw/zinc/74/98/04/818749804.db2.gz DFIVFPQURKQDCG-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO CSc1ccc(C)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234239675 818811915 /nfs/dbraw/zinc/81/19/15/818811915.db2.gz WSVWSKLMDPFMEO-LBPRGKRZSA-N 1 0 254.419 3.190 20 5 CGBDRO CC(C)(C)CC[C@@H]([NH3+])CN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001352788034 937049416 /nfs/dbraw/zinc/04/94/16/937049416.db2.gz LSWAYSXCZKMPGB-CQSZACIVSA-N 1 0 291.395 3.064 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000217391068 928155806 /nfs/dbraw/zinc/15/58/06/928155806.db2.gz KWRFKZBMEZZERT-NSHDSACASA-N 1 0 299.802 3.068 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])C1CCCCCC1 ZINC001459924106 937506848 /nfs/dbraw/zinc/50/68/48/937506848.db2.gz ZEIYTJTXYKJUDM-LBPRGKRZSA-N 1 0 277.368 3.438 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C)cc(F)cc1[N+](=O)[O-] ZINC001229199136 932114711 /nfs/dbraw/zinc/11/47/11/932114711.db2.gz SNCJPQVCRQDPJV-LLVKDONJSA-N 1 0 284.331 3.151 20 5 CGBDRO Cc1cc(F)cc([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001229202497 932114734 /nfs/dbraw/zinc/11/47/34/932114734.db2.gz XFVAOULBIFTKLL-CYBMUJFWSA-N 1 0 296.342 3.294 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC[C@H](O)C(C)C)cc1[N+](=O)[O-] ZINC001461219276 937570438 /nfs/dbraw/zinc/57/04/38/937570438.db2.gz UWSIQNRHNOCQGN-INIZCTEOSA-N 1 0 294.395 3.215 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2C[C@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC001461596259 937587504 /nfs/dbraw/zinc/58/75/04/937587504.db2.gz VILGOEUAEVOWNA-UONOGXRCSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(O)cccc1C(C)(C)C ZINC001230373042 932565595 /nfs/dbraw/zinc/56/55/95/932565595.db2.gz OKMYYPADJFYDLE-LBPRGKRZSA-O 1 0 266.405 3.163 20 5 CGBDRO C[C@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC001230516738 932581685 /nfs/dbraw/zinc/58/16/85/932581685.db2.gz SHYFZMSICSRQGC-VIFPVBQESA-N 1 0 298.302 3.193 20 5 CGBDRO Cc1csc2nccc(O[C@H](C)C[N+](C)(C)C)c12 ZINC001230658442 932606026 /nfs/dbraw/zinc/60/60/26/932606026.db2.gz ZACLGNPUJBYMHJ-LLVKDONJSA-N 1 0 265.402 3.078 20 5 CGBDRO CC[N@@H+]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC001307137847 932768230 /nfs/dbraw/zinc/76/82/30/932768230.db2.gz SOCKKMAEFMMWKO-NSHDSACASA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@H](C[NH+]1CCC(C)CC1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001307165588 932772331 /nfs/dbraw/zinc/77/23/31/932772331.db2.gz MSFUWICTDZVUAI-GFCCVEGCSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC001462286243 937629500 /nfs/dbraw/zinc/62/95/00/937629500.db2.gz WLGFYURGMNSPMR-IUODEOHRSA-N 1 0 294.395 3.481 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC23CC(C)(C2)OC3)cc1[N+](=O)[O-] ZINC001307617391 932977934 /nfs/dbraw/zinc/97/79/34/932977934.db2.gz QYTXWOSDYBDGRN-UWTIGNOOSA-N 1 0 290.363 3.123 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC001307821755 933005630 /nfs/dbraw/zinc/00/56/30/933005630.db2.gz RJFILSRHKDLHKW-ZDUSSCGKSA-N 1 0 280.368 3.484 20 5 CGBDRO CCC1(CC)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001308807119 933180549 /nfs/dbraw/zinc/18/05/49/933180549.db2.gz ICDQHLUMZFEXFP-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C/C=C\C1CC1 ZINC001327594792 935072646 /nfs/dbraw/zinc/07/26/46/935072646.db2.gz DNEXISBPDNPGLW-BYCRGOAPSA-N 1 0 276.336 3.220 20 5 CGBDRO C[C@@H]([NH2+]CC[N+](=O)[O-])[C@@H](C)c1ccccc1C(F)(F)F ZINC001336045860 936173455 /nfs/dbraw/zinc/17/34/55/936173455.db2.gz IICFSDLOTNDJPG-NXEZZACHSA-N 1 0 290.285 3.064 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC1CC=CC1 ZINC001474264071 937847335 /nfs/dbraw/zinc/84/73/35/937847335.db2.gz NSPVMCFSDRBWAJ-UHFFFAOYSA-N 1 0 290.363 3.439 20 5 CGBDRO C[C@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)C[C@H]2C[C@H]2C1 ZINC001474659641 937873701 /nfs/dbraw/zinc/87/37/01/937873701.db2.gz NCDXOLSCCVYKNK-FOLVSLTJSA-N 1 0 274.364 3.163 20 5 CGBDRO CC(C)(C)C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(F)cc1 ZINC001559690524 938232848 /nfs/dbraw/zinc/23/28/48/938232848.db2.gz OQIZONYGWOLFMI-CYBMUJFWSA-N 1 0 268.332 3.169 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)c1 ZINC001560340748 938253885 /nfs/dbraw/zinc/25/38/85/938253885.db2.gz KPXKARMVHJHCOD-WBVHZDCISA-N 1 0 282.343 3.316 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1cc(C)c(C)c([N+](=O)[O-])c1 ZINC001230471389 957846530 /nfs/dbraw/zinc/84/65/30/957846530.db2.gz DTMTUQVHJYKEKD-GFCCVEGCSA-N 1 0 280.368 3.321 20 5 CGBDRO CC[NH+](CC)CCSc1c(Cl)cncc1[N+](=O)[O-] ZINC000590577790 346852303 /nfs/dbraw/zinc/85/23/03/346852303.db2.gz GSSPWTSTKLMRRR-UHFFFAOYSA-N 1 0 289.788 3.077 20 5 CGBDRO CC[C@@H](C)C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000350990884 219073579 /nfs/dbraw/zinc/07/35/79/219073579.db2.gz NMXBCSVNRXHGBO-CYBMUJFWSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(F)F ZINC000592372578 346979588 /nfs/dbraw/zinc/97/95/88/346979588.db2.gz NIDIEXOGCXTYNC-MALLOTDXSA-N 1 0 284.306 3.489 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(F)CC2)cc1 ZINC000592377281 346980420 /nfs/dbraw/zinc/98/04/20/346980420.db2.gz OKUNGQAOQKIERT-UHFFFAOYSA-N 1 0 266.316 3.213 20 5 CGBDRO CCOc1cc(C[NH2+]C2(C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000593081306 347036846 /nfs/dbraw/zinc/03/68/46/347036846.db2.gz LZKGDVJFDMTPCI-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593116723 347041197 /nfs/dbraw/zinc/04/11/97/347041197.db2.gz OCQIPPUHGAIARJ-MFKMUULPSA-N 1 0 282.290 3.387 20 5 CGBDRO C[C@@H]([NH3+])c1ccc(OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037697596 344952401 /nfs/dbraw/zinc/95/24/01/344952401.db2.gz LOVQBCSYMLMJEV-GFCCVEGCSA-N 1 0 286.331 3.236 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)C1CC[NH+](C)CC1 ZINC000036970964 344946110 /nfs/dbraw/zinc/94/61/10/344946110.db2.gz QLBYLBLSZZBANH-SNVBAGLBSA-N 1 0 297.786 3.390 20 5 CGBDRO CC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000044526387 345012338 /nfs/dbraw/zinc/01/23/38/345012338.db2.gz CZKGZQKTCREOHP-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccccc1 ZINC000046055470 345033265 /nfs/dbraw/zinc/03/32/65/345033265.db2.gz YLFLGHBIDJFMJB-UHFFFAOYSA-N 1 0 286.331 3.106 20 5 CGBDRO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC1CC1 ZINC000051281348 345088334 /nfs/dbraw/zinc/08/83/34/345088334.db2.gz JNQJRMMNFUNWHN-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[NH+](C)C1(CNc2ccsc2[N+](=O)[O-])CCCCC1 ZINC000063256127 345244687 /nfs/dbraw/zinc/24/46/87/345244687.db2.gz CTASDRVLZFIRCN-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO CC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)[C@@H](C)C(C)C ZINC000065298750 345271127 /nfs/dbraw/zinc/27/11/27/345271127.db2.gz FKIIGAZJWJTHON-LBPRGKRZSA-N 1 0 280.368 3.470 20 5 CGBDRO Cc1cc(NCC[NH+]2Cc3ccccc3C2)ccc1[N+](=O)[O-] ZINC000068321488 345349697 /nfs/dbraw/zinc/34/96/97/345349697.db2.gz BVWPIESOHMQHHX-UHFFFAOYSA-N 1 0 297.358 3.331 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075742246 345521470 /nfs/dbraw/zinc/52/14/70/345521470.db2.gz RJMNWEGTNOZKFU-STQMWFEESA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000075893520 345526420 /nfs/dbraw/zinc/52/64/20/345526420.db2.gz WXQHXSMSWSMVTC-TUAOUCFPSA-N 1 0 280.393 3.482 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000078658214 345617953 /nfs/dbraw/zinc/61/79/53/345617953.db2.gz SNXCNFGAOMKVRX-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO CC1(C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083170651 345724462 /nfs/dbraw/zinc/72/44/62/345724462.db2.gz ZUVJYVOONWSLHT-UHFFFAOYSA-N 1 0 275.308 3.110 20 5 CGBDRO CC(C)[C@@H](O)C(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090811325 345795516 /nfs/dbraw/zinc/79/55/16/345795516.db2.gz TZJIDALDPINAEM-IUODEOHRSA-N 1 0 294.395 3.289 20 5 CGBDRO Cc1ncc([C@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000090910286 345796968 /nfs/dbraw/zinc/79/69/68/345796968.db2.gz VRIKXRJEGJJYDZ-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2Cc3ccccc32)cc1 ZINC000090976453 345798690 /nfs/dbraw/zinc/79/86/90/345798690.db2.gz WBNTZJPXUWCJMQ-HNNXBMFYSA-N 1 0 282.343 3.067 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000091097047 345803714 /nfs/dbraw/zinc/80/37/14/345803714.db2.gz UTXOCTSHTVLIPD-LLVKDONJSA-N 1 0 286.372 3.307 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000131952754 346069479 /nfs/dbraw/zinc/06/94/79/346069479.db2.gz BHSZPUQTKOAQER-TZMCWYRMSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1c(C[NH2+]C[C@@]2(C)CCCS2)cccc1[N+](=O)[O-] ZINC000155606264 346154564 /nfs/dbraw/zinc/15/45/64/346154564.db2.gz TUPLNKINPKYJLJ-CQSZACIVSA-N 1 0 280.393 3.279 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CC2)c(F)c1 ZINC000310969458 346472303 /nfs/dbraw/zinc/47/23/03/346472303.db2.gz RAJJVBOSFBDJEJ-UHFFFAOYSA-N 1 0 252.289 3.014 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000312006142 346475597 /nfs/dbraw/zinc/47/55/97/346475597.db2.gz QYTZKWPFPQDMOX-SNVBAGLBSA-N 1 0 285.775 3.389 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000388616906 346571262 /nfs/dbraw/zinc/57/12/62/346571262.db2.gz AZLHKLFUCAWSAZ-BXUZGUMPSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C(C)(C)O ZINC000584572034 346683977 /nfs/dbraw/zinc/68/39/77/346683977.db2.gz WAAULHPUEZYXDE-LBPRGKRZSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](C3CC3)C2)cc1 ZINC000588977650 346780035 /nfs/dbraw/zinc/78/00/35/346780035.db2.gz FKFJUSXASSNYRX-CQSZACIVSA-N 1 0 290.363 3.096 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccsc1[N+](=O)[O-] ZINC000589598918 346801813 /nfs/dbraw/zinc/80/18/13/346801813.db2.gz GVCMGUFOGSBOIR-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO O=[N+]([O-])c1sccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594601945 347200391 /nfs/dbraw/zinc/20/03/91/347200391.db2.gz PWXOVTMPYACNHR-JQWIXIFHSA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494325 347177764 /nfs/dbraw/zinc/17/77/64/347177764.db2.gz YCXVTEKIBRRBCH-LALPHHSUSA-N 1 0 290.363 3.129 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594507387 347181711 /nfs/dbraw/zinc/18/17/11/347181711.db2.gz LCURQHXJSYMTQX-SQWLQELKSA-N 1 0 290.363 3.129 20 5 CGBDRO COC1([C@H](C)[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000594514908 347185463 /nfs/dbraw/zinc/18/54/63/347185463.db2.gz BPZLYLZYCLYFHA-FZMZJTMJSA-N 1 0 290.363 3.129 20 5 CGBDRO CC1(C)C[C@@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594997293 347252227 /nfs/dbraw/zinc/25/22/27/347252227.db2.gz UDDBPTVRVFODMG-CYBMUJFWSA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2CCC3)c(Cl)c1 ZINC000594953344 347239083 /nfs/dbraw/zinc/23/90/83/347239083.db2.gz RYEKFJHOOGTNLL-ZWNOBZJWSA-N 1 0 266.728 3.280 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C1CC1 ZINC000595004121 347253522 /nfs/dbraw/zinc/25/35/22/347253522.db2.gz NRLSAGRZLHBHPR-ZJUUUORDSA-N 1 0 264.325 3.053 20 5 CGBDRO CC(C)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594973990 347246433 /nfs/dbraw/zinc/24/64/33/347246433.db2.gz WXDQRQORKKHTKI-UHFFFAOYSA-N 1 0 274.723 3.476 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC1(F)F ZINC000594977924 347246913 /nfs/dbraw/zinc/24/69/13/347246913.db2.gz NMBOHBLZEYFGQH-LBPRGKRZSA-N 1 0 288.269 3.259 20 5 CGBDRO Cc1noc(C[NH2+]C(C)(C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000595303804 347289327 /nfs/dbraw/zinc/28/93/27/347289327.db2.gz BRMDXXDGOFHQPJ-UHFFFAOYSA-N 1 0 269.345 3.196 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccco1)c1cccc([N+](=O)[O-])c1 ZINC000595093522 347281828 /nfs/dbraw/zinc/28/18/28/347281828.db2.gz KVQNKBLGHNRQGL-GFCCVEGCSA-N 1 0 274.320 3.471 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000595598800 347323633 /nfs/dbraw/zinc/32/36/33/347323633.db2.gz GQDGIFLONINWQF-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000595561502 347319720 /nfs/dbraw/zinc/31/97/20/347319720.db2.gz KGPXLXAUQNGBIM-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000595593997 347322850 /nfs/dbraw/zinc/32/28/50/347322850.db2.gz VPTMYQOUHLMTTN-NSHDSACASA-N 1 0 294.351 3.082 20 5 CGBDRO CCC[N@H+](C)CC(C)(C)NCc1cccc([N+](=O)[O-])c1C ZINC000595874633 347368857 /nfs/dbraw/zinc/36/88/57/347368857.db2.gz WZYPXBTXQBIBKA-UHFFFAOYSA-N 1 0 293.411 3.113 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c([N+](=O)[O-])s1 ZINC000596083933 347381231 /nfs/dbraw/zinc/38/12/31/347381231.db2.gz ZBWIPYQIIKIIGX-QWRGUYRKSA-N 1 0 281.381 3.003 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c([N+](=O)[O-])s1 ZINC000596093537 347382353 /nfs/dbraw/zinc/38/23/53/347382353.db2.gz VIAXOKONUVACSC-NSHDSACASA-N 1 0 283.397 3.107 20 5 CGBDRO Cc1ncc(-c2ccc(C[NH+](C)C)c(F)c2)cc1[N+](=O)[O-] ZINC000596627964 347492545 /nfs/dbraw/zinc/49/25/45/347492545.db2.gz LLVVWXRZIGIZLA-UHFFFAOYSA-N 1 0 289.310 3.166 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000597223122 347556493 /nfs/dbraw/zinc/55/64/93/347556493.db2.gz KVAWLJMUSCVFEF-NXEZZACHSA-N 1 0 298.289 3.038 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC[C@@H]1CC1(F)F ZINC000598645992 347675018 /nfs/dbraw/zinc/67/50/18/347675018.db2.gz BKEKDKQOOJBCEF-KTLBGCOUSA-N 1 0 282.290 3.243 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000598680521 347678868 /nfs/dbraw/zinc/67/88/68/347678868.db2.gz ZLVBFUAKJGCHSA-KOLCDFICSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1sccc1NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000599165238 347722813 /nfs/dbraw/zinc/72/28/13/347722813.db2.gz OMWUPADFNAIUMS-LLVKDONJSA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H](C)C1(F)F ZINC000599513276 347749128 /nfs/dbraw/zinc/74/91/28/347749128.db2.gz RQRPSZXOCIOAIZ-PHIMTYICSA-N 1 0 284.306 3.318 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600129339 347782998 /nfs/dbraw/zinc/78/29/98/347782998.db2.gz ILSSXFMQDPJDCX-SNVBAGLBSA-N 1 0 284.306 3.161 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000601289149 347889494 /nfs/dbraw/zinc/88/94/94/347889494.db2.gz IWZWZFPGAYXXTO-STQMWFEESA-N 1 0 280.368 3.105 20 5 CGBDRO Cc1ccc(CN[C@@H]2CCc3c2cccc3[N+](=O)[O-])o1 ZINC000601304865 347890592 /nfs/dbraw/zinc/89/05/92/347890592.db2.gz SLRCKMJVAHIJNQ-CQSZACIVSA-N 1 0 272.304 3.273 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCc2cccs2)cc1 ZINC000602575792 347986171 /nfs/dbraw/zinc/98/61/71/347986171.db2.gz KINPUOGYQHHNLR-UHFFFAOYSA-N 1 0 290.388 3.421 20 5 CGBDRO CC[C@@](C)(C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])OC ZINC000602673087 348005803 /nfs/dbraw/zinc/00/58/03/348005803.db2.gz OJDACKIWQQDGSP-HNNXBMFYSA-N 1 0 280.368 3.235 20 5 CGBDRO CSC1CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000602728296 348019345 /nfs/dbraw/zinc/01/93/45/348019345.db2.gz ZCKWMZBXMYWLPG-UHFFFAOYSA-N 1 0 280.393 3.231 20 5 CGBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCCC1 ZINC000602549709 347979892 /nfs/dbraw/zinc/97/98/92/347979892.db2.gz YGDOKUPHQLTMPX-UHFFFAOYSA-N 1 0 289.335 3.406 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCC[C@H]2CCO2)cc1[N+](=O)[O-] ZINC000602564283 347982572 /nfs/dbraw/zinc/98/25/72/347982572.db2.gz SDCXQVRQIQXNGQ-OCCSQVGLSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@H](F)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000351893957 219241551 /nfs/dbraw/zinc/24/15/51/219241551.db2.gz WAADOMUKAHLVJX-NSHDSACASA-N 1 0 266.316 3.307 20 5 CGBDRO CC[C@@]1(O)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000602983406 348052501 /nfs/dbraw/zinc/05/25/01/348052501.db2.gz JRVWIAQQHGRFCD-CZUORRHYSA-N 1 0 292.379 3.201 20 5 CGBDRO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000604433517 348120197 /nfs/dbraw/zinc/12/01/97/348120197.db2.gz TYHAPJAHODACAI-MNOVXSKESA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000609133544 348337121 /nfs/dbraw/zinc/33/71/21/348337121.db2.gz FZZBWAXOHHXPDK-HNNXBMFYSA-N 1 0 260.337 3.278 20 5 CGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC000609560575 348346824 /nfs/dbraw/zinc/34/68/24/348346824.db2.gz PHWOLHPMAYHEFY-UTUOFQBUSA-N 1 0 297.424 3.435 20 5 CGBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610517719 348387459 /nfs/dbraw/zinc/38/74/59/348387459.db2.gz KVIOOEPQJIBEKS-SDQPKGBYSA-N 1 0 297.358 3.396 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000610133420 348363921 /nfs/dbraw/zinc/36/39/21/348363921.db2.gz OAFKJHUMZQHIOH-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2C)cc1[N+](=O)[O-] ZINC000610591664 348391937 /nfs/dbraw/zinc/39/19/37/348391937.db2.gz GXKNVZUXXDAWKB-LBPRGKRZSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCCC1 ZINC000273371794 192129866 /nfs/dbraw/zinc/12/98/66/192129866.db2.gz LANUWPYSYVBMJJ-JTQLQIEISA-N 1 0 289.335 3.404 20 5 CGBDRO CC(C)(C)C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000611521565 348458930 /nfs/dbraw/zinc/45/89/30/348458930.db2.gz VQPICKSCWBERHQ-UHFFFAOYSA-N 1 0 270.760 3.426 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941927 348482338 /nfs/dbraw/zinc/48/23/38/348482338.db2.gz FCGUOEMCDVHKLB-STQMWFEESA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H]([NH2+]CCCc1nccs1)c1ccc([N+](=O)[O-])cc1 ZINC000358036231 233043098 /nfs/dbraw/zinc/04/30/98/233043098.db2.gz KTUKMKOFZHOVNO-NSHDSACASA-N 1 0 291.376 3.335 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccccn1 ZINC000615720048 348761894 /nfs/dbraw/zinc/76/18/94/348761894.db2.gz HZTVZHOTPVLBGC-LCYFTJDESA-N 1 0 283.331 3.183 20 5 CGBDRO CCOc1cc(C[NH+]2CCC3(CC3)CC2)ccc1[N+](=O)[O-] ZINC000617216669 348936705 /nfs/dbraw/zinc/93/67/05/348936705.db2.gz GTMNNQAOEDMDJC-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983902 349191371 /nfs/dbraw/zinc/19/13/71/349191371.db2.gz OJDDWXRLIKJYIH-BIGNPOOSSA-N 1 0 260.337 3.315 20 5 CGBDRO C[C@@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122830236 187054301 /nfs/dbraw/zinc/05/43/01/187054301.db2.gz RAJLZVCDTBNNJV-KOLCDFICSA-N 1 0 295.770 3.285 20 5 CGBDRO CSCCC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000132450336 187628803 /nfs/dbraw/zinc/62/88/03/187628803.db2.gz PBIHAELJCMXMHP-CQSZACIVSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000271511426 191183250 /nfs/dbraw/zinc/18/32/50/191183250.db2.gz NESJDDLHLDOHKC-UMVBOHGHSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1ccoc1C[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000292073550 198152729 /nfs/dbraw/zinc/15/27/29/198152729.db2.gz CRVNXLLSCUVGDD-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC23CCC3)c([N+](=O)[O-])cc1F ZINC000365637458 234119214 /nfs/dbraw/zinc/11/92/14/234119214.db2.gz KLQJEXDXARSPPA-UHFFFAOYSA-N 1 0 294.326 3.261 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]Cc2cccnc2)cccc1[N+](=O)[O-] ZINC000151089257 187942995 /nfs/dbraw/zinc/94/29/95/187942995.db2.gz OAWOJFWZQSMJNM-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CCC[C@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000152510405 188025285 /nfs/dbraw/zinc/02/52/85/188025285.db2.gz FUQZUHNNFKCQIQ-CHWSQXEVSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cccc1[N+](=O)[O-] ZINC000152887119 188050883 /nfs/dbraw/zinc/05/08/83/188050883.db2.gz NCTNCCLYUXICCA-ZOWXZIJZSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1O)c1ccc([N+](=O)[O-])cc1 ZINC000154989629 188174969 /nfs/dbraw/zinc/17/49/69/188174969.db2.gz CCEPMCVMKABWCA-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)C(C)(C)O1 ZINC000155158144 188187564 /nfs/dbraw/zinc/18/75/64/188187564.db2.gz DSBAIRMKHBQZOP-ZDUSSCGKSA-N 1 0 296.342 3.170 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+](C2CCC2)C2CCC2)c1 ZINC000292449288 198292372 /nfs/dbraw/zinc/29/23/72/198292372.db2.gz PGTLYJZYDFWADX-MRXNPFEDSA-N 1 0 290.363 3.035 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000156564773 188269382 /nfs/dbraw/zinc/26/93/82/188269382.db2.gz UMUXGTWZPATWJF-IPYPFGDCSA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC000292704538 198382956 /nfs/dbraw/zinc/38/29/56/198382956.db2.gz CSQLTZYKZCGCRG-KGLIPLIRSA-N 1 0 296.317 3.380 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CCO1 ZINC000160500925 188476181 /nfs/dbraw/zinc/47/61/81/188476181.db2.gz NWCPMXHWTOHEGG-GFCCVEGCSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@H](CSC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000163868090 188617173 /nfs/dbraw/zinc/61/71/73/188617173.db2.gz BBLVJEVJPORPIP-GFCCVEGCSA-N 1 0 268.382 3.134 20 5 CGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000271878043 191384120 /nfs/dbraw/zinc/38/41/20/191384120.db2.gz OQNAJAMPBRADPU-IUODEOHRSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1ccc(NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000413431570 235277838 /nfs/dbraw/zinc/27/78/38/235277838.db2.gz BCJVDYRSEIEVDW-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414294954 235381845 /nfs/dbraw/zinc/38/18/45/235381845.db2.gz COBJIJCMKOBQLA-CHWSQXEVSA-N 1 0 292.379 3.073 20 5 CGBDRO COC1([C@@H](C)[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000414527422 235426044 /nfs/dbraw/zinc/42/60/44/235426044.db2.gz QZUQJLBDDUQRIR-OQHXTRMZSA-N 1 0 290.363 3.155 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC[C@@H](C)F)cc1[N+](=O)[O-] ZINC000340472051 215595116 /nfs/dbraw/zinc/59/51/16/215595116.db2.gz ZNVTVKRMZGSJSE-MNOVXSKESA-N 1 0 284.331 3.392 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000221603964 138495450 /nfs/dbraw/zinc/49/54/50/138495450.db2.gz OKBUBTYRXGQCRG-LBPRGKRZSA-N 1 0 280.368 3.044 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000426831064 236317370 /nfs/dbraw/zinc/31/73/70/236317370.db2.gz CTHUTIPWDJQOEG-KBPBESRZSA-N 1 0 290.363 3.096 20 5 CGBDRO COC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000297311716 200144816 /nfs/dbraw/zinc/14/48/16/200144816.db2.gz MXKUQXMLJBYFAQ-GFCCVEGCSA-N 1 0 278.352 3.205 20 5 CGBDRO CC(C)SCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000342102605 216219163 /nfs/dbraw/zinc/21/91/63/216219163.db2.gz LSRJWLOPBLDIFV-ALCCZGGFSA-N 1 0 280.393 3.339 20 5 CGBDRO CC[C@H]([NH2+]CC1(CCOC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000181439843 189296537 /nfs/dbraw/zinc/29/65/37/189296537.db2.gz WPDGRCWHEGZQNF-HNNXBMFYSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[NH+]1CCC(CCNc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000301417522 201002585 /nfs/dbraw/zinc/00/25/85/201002585.db2.gz BBRCRYVUVPHLEN-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCCCCCO)cc1[N+](=O)[O-] ZINC000181842160 189307930 /nfs/dbraw/zinc/30/79/30/189307930.db2.gz RJQZWMXNLXBYDB-CYBMUJFWSA-N 1 0 280.368 3.107 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[NH+]2CCCCC2)c1 ZINC000301591797 201085503 /nfs/dbraw/zinc/08/55/03/201085503.db2.gz ZDOWBIOWVOCZJL-UHFFFAOYSA-N 1 0 277.368 3.191 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000183346119 189355812 /nfs/dbraw/zinc/35/58/12/189355812.db2.gz OKSFBJPVBXDVOG-CHWSQXEVSA-N 1 0 278.352 3.123 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301773975 201188923 /nfs/dbraw/zinc/18/89/23/201188923.db2.gz GQJQADVPMSSVCH-SNVBAGLBSA-N 1 0 299.321 3.017 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCSC1 ZINC000449181491 239228931 /nfs/dbraw/zinc/22/89/31/239228931.db2.gz HRQDPDUKNWMDLJ-YPMHNXCESA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCS1 ZINC000449191131 239236204 /nfs/dbraw/zinc/23/62/04/239236204.db2.gz PDZCHSJDIWMKCV-DOMZBBRYSA-N 1 0 294.420 3.401 20 5 CGBDRO Cc1cc(NC2CC[NH+](C3CCC3)CC2)ccc1[N+](=O)[O-] ZINC000450882663 240133149 /nfs/dbraw/zinc/13/31/49/240133149.db2.gz UYBUQOXQGQXVRH-UHFFFAOYSA-N 1 0 289.379 3.332 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@](C)(F)C1 ZINC000451122757 240222750 /nfs/dbraw/zinc/22/27/50/240222750.db2.gz SPXBIWBMJXQAQH-BXUZGUMPSA-N 1 0 266.316 3.480 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451899571 240378450 /nfs/dbraw/zinc/37/84/50/240378450.db2.gz IIRYOLQAJSDCNK-BBRMVZONSA-N 1 0 290.363 3.158 20 5 CGBDRO Cc1cccc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1[N+](=O)[O-] ZINC000302510966 201468803 /nfs/dbraw/zinc/46/88/03/201468803.db2.gz SOMVKXGZTZDDGS-QWHCGFSZSA-N 1 0 277.368 3.188 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478481403 243077244 /nfs/dbraw/zinc/07/72/44/243077244.db2.gz POVVTBKPLPEYGU-ZBFHGGJFSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000126176322 370943962 /nfs/dbraw/zinc/94/39/62/370943962.db2.gz ODPNUXRZXNDBLC-OLZOCXBDSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H](C)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000492000219 243854851 /nfs/dbraw/zinc/85/48/51/243854851.db2.gz NVVIDYQELBJPOV-NSHDSACASA-N 1 0 250.342 3.466 20 5 CGBDRO COCC1(C)CC[NH+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000330646741 203074787 /nfs/dbraw/zinc/07/47/87/203074787.db2.gz IZPASDMGBKVKQV-UHFFFAOYSA-N 1 0 292.379 3.152 20 5 CGBDRO COCC1(C)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000330649159 203076552 /nfs/dbraw/zinc/07/65/52/203076552.db2.gz KSODZCMDJXPKST-CYBMUJFWSA-N 1 0 292.379 3.404 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccc(C)cc1 ZINC000037011425 369050937 /nfs/dbraw/zinc/05/09/37/369050937.db2.gz FYQWHXFAKMLMDV-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO COc1cccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000037771636 369107638 /nfs/dbraw/zinc/10/76/38/369107638.db2.gz QXHVDNUFELSUEP-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1)Cc1cccc([N+](=O)[O-])c1 ZINC000042366080 369217653 /nfs/dbraw/zinc/21/76/53/369217653.db2.gz POJXZHHJLPOCRO-UHFFFAOYSA-N 1 0 274.295 3.366 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000048554600 369357988 /nfs/dbraw/zinc/35/79/88/369357988.db2.gz PYUXCPZBYLMSOQ-UHFFFAOYSA-N 1 0 295.770 3.287 20 5 CGBDRO CC(C)(C)[NH2+]CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000057839531 369548520 /nfs/dbraw/zinc/54/85/20/369548520.db2.gz LNFMUGRISJHNBI-UHFFFAOYSA-N 1 0 271.748 3.048 20 5 CGBDRO Cn1cccc1[C@H]1CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000057622877 369544119 /nfs/dbraw/zinc/54/41/19/369544119.db2.gz AGGZIHANKGPALE-MRXNPFEDSA-N 1 0 285.347 3.270 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCc1cc(F)cc(F)c1 ZINC000060717740 369590665 /nfs/dbraw/zinc/59/06/65/369590665.db2.gz SIMQOPOPSNAPSC-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO Cc1c(C[N@@H+]([C@H](C)CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000276440889 193331607 /nfs/dbraw/zinc/33/16/07/193331607.db2.gz LDVCTQFGDNIKDT-GFCCVEGCSA-N 1 0 292.379 3.029 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000076150407 369932998 /nfs/dbraw/zinc/93/29/98/369932998.db2.gz OZGUUTQJKOXKDP-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000131308294 371097194 /nfs/dbraw/zinc/09/71/94/371097194.db2.gz STMYCEQETUXBIQ-HUUCEWRRSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000287421299 371654300 /nfs/dbraw/zinc/65/43/00/371654300.db2.gz KBIOUXFKCZNWDD-KCQAQPDRSA-N 1 0 292.379 3.226 20 5 CGBDRO CC(C)CCOCCN1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000153392959 371764716 /nfs/dbraw/zinc/76/47/16/371764716.db2.gz BHVBJZGSHKYVLM-UHFFFAOYSA-N 1 0 292.379 3.016 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1[N+](=O)[O-] ZINC000344104128 217051850 /nfs/dbraw/zinc/05/18/50/217051850.db2.gz ORABHDXIRHTJIL-AWEZNQCLSA-N 1 0 290.363 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1ccco1 ZINC000155970098 371955131 /nfs/dbraw/zinc/95/51/31/371955131.db2.gz SLQBOCGZGIGNEJ-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO CC1(C)C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000160556488 372258095 /nfs/dbraw/zinc/25/80/95/372258095.db2.gz MNFOYELEFLRKQG-HZRUHFOJSA-N 1 0 290.363 3.155 20 5 CGBDRO Cc1ccoc1C[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000429389568 372360659 /nfs/dbraw/zinc/36/06/59/372360659.db2.gz VOFMRDQCSQIHNB-UHFFFAOYSA-N 1 0 290.319 3.007 20 5 CGBDRO CCOCC(C)(C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000293409543 372376151 /nfs/dbraw/zinc/37/61/51/372376151.db2.gz YWKIOYAAMBJGCS-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CC[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000163399548 372467438 /nfs/dbraw/zinc/46/74/38/372467438.db2.gz VMBRBTNGIKZWCK-WQVCFCJDSA-N 1 0 292.379 3.187 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000165108320 372543983 /nfs/dbraw/zinc/54/39/83/372543983.db2.gz DNSBMFJWLJFYAJ-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000165142588 372544357 /nfs/dbraw/zinc/54/43/57/372544357.db2.gz POYAJXXTBPAICS-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000294189491 372607737 /nfs/dbraw/zinc/60/77/37/372607737.db2.gz KWUNSHCZURSPSG-AWEZNQCLSA-N 1 0 298.770 3.107 20 5 CGBDRO CSC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168132800 372606263 /nfs/dbraw/zinc/60/62/63/372606263.db2.gz VWWOGOMFEPEVJR-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO Cc1ccc(CCC[N@@H+](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000353441754 220085317 /nfs/dbraw/zinc/08/53/17/220085317.db2.gz UCCJYDDXVBGOMZ-UHFFFAOYSA-N 1 0 299.374 3.363 20 5 CGBDRO CCOCCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344859495 217336911 /nfs/dbraw/zinc/33/69/11/217336911.db2.gz NGJDRCUVMMRXHY-SDNWHVSQSA-N 1 0 292.379 3.404 20 5 CGBDRO CC(C)=CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447601067 373463908 /nfs/dbraw/zinc/46/39/08/373463908.db2.gz NXAKVAVXWNDFPS-UONOGXRCSA-N 1 0 292.383 3.221 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NCCC[NH+]1CCCCC1 ZINC000301068136 373645770 /nfs/dbraw/zinc/64/57/70/373645770.db2.gz DZGZJSZQPSJPHZ-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301133947 373672535 /nfs/dbraw/zinc/67/25/35/373672535.db2.gz WESOPMMWSYBLQY-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO CS[C@@H]1CC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000449445157 373722435 /nfs/dbraw/zinc/72/24/35/373722435.db2.gz HEHMEBHCMKBTTN-LDCOFTPGSA-N 1 0 292.404 3.435 20 5 CGBDRO CC[N@@H+]1CCCN(c2cc(C)c([N+](=O)[O-])cc2Cl)CC1 ZINC000301556093 373784791 /nfs/dbraw/zinc/78/47/91/373784791.db2.gz WPKACQLIKXHAML-UHFFFAOYSA-N 1 0 297.786 3.089 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(O)CCCC1 ZINC000449736620 373863121 /nfs/dbraw/zinc/86/31/21/373863121.db2.gz NIZNZOAMZPUCIF-UHFFFAOYSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449739682 373868786 /nfs/dbraw/zinc/86/87/86/373868786.db2.gz BXMHMDSAQOQCRS-UGFHNGPFSA-N 1 0 274.364 3.162 20 5 CGBDRO CC(C)C[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000311275325 374236980 /nfs/dbraw/zinc/23/69/80/374236980.db2.gz FQNGVDWIAHXODK-CYBMUJFWSA-N 1 0 264.369 3.409 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000182934496 374347069 /nfs/dbraw/zinc/34/70/69/374347069.db2.gz GQBMUVGDCQQLKB-XEZPLFJOSA-N 1 0 292.379 3.057 20 5 CGBDRO CCC[C@@]1(CO)CCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000331308306 374520132 /nfs/dbraw/zinc/52/01/32/374520132.db2.gz XACLYAQTLFBELD-INIZCTEOSA-N 1 0 292.379 3.030 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCCC2(CC2)C1 ZINC000186610941 374886561 /nfs/dbraw/zinc/88/65/61/374886561.db2.gz DIICKPHNYOIORG-ZZXKWVIFSA-N 1 0 272.348 3.484 20 5 CGBDRO C[C@H]1C[N@H+](CCOc2ccccc2[N+](=O)[O-])C(C)(C)C1 ZINC000472278009 375016181 /nfs/dbraw/zinc/01/61/81/375016181.db2.gz PLTLHNLZFZQTTD-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000188689861 375254103 /nfs/dbraw/zinc/25/41/03/375254103.db2.gz WRSZICWMERLLNZ-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO CCOC1CC(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000188785684 375268454 /nfs/dbraw/zinc/26/84/54/375268454.db2.gz YDHRNXYBBRLMCB-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CC[C@H]2CCCO2)C2CC2)c1 ZINC000189577673 375414496 /nfs/dbraw/zinc/41/44/96/375414496.db2.gz OHKYKUABYGWWBD-MRXNPFEDSA-N 1 0 290.363 3.128 20 5 CGBDRO COC[C@@H](C)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189667932 375432016 /nfs/dbraw/zinc/43/20/16/375432016.db2.gz DWOLSCPHLXSGQO-ZDUSSCGKSA-N 1 0 280.368 3.088 20 5 CGBDRO CC[N@@H+](Cc1ccc(C)c([N+](=O)[O-])c1)CC(C)C ZINC000507121775 375677217 /nfs/dbraw/zinc/67/72/17/375677217.db2.gz QBKURDOQIAPJGY-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3ccncc3)C2)c1 ZINC000289479633 197367563 /nfs/dbraw/zinc/36/75/63/197367563.db2.gz ZQWLZACKJGHLMJ-MRXNPFEDSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000192348943 375735908 /nfs/dbraw/zinc/73/59/08/375735908.db2.gz IPDOTKBLAZYLRQ-HNNXBMFYSA-N 1 0 298.342 3.468 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000192934021 375804811 /nfs/dbraw/zinc/80/48/11/375804811.db2.gz HEQZMCMCYAAORO-BXUZGUMPSA-N 1 0 288.351 3.130 20 5 CGBDRO CC(C)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000537628497 376185793 /nfs/dbraw/zinc/18/57/93/376185793.db2.gz NSFLGRGSHNWBBY-CYBMUJFWSA-N 1 0 262.353 3.463 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000337278630 376186792 /nfs/dbraw/zinc/18/67/92/376186792.db2.gz GEUDDHZXVIKPAF-SNVBAGLBSA-N 1 0 286.759 3.151 20 5 CGBDRO C[C@@H]1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000538726400 376262181 /nfs/dbraw/zinc/26/21/81/376262181.db2.gz PTBWKOHEBJUOFS-WFMXKNRHSA-N 1 0 260.337 3.196 20 5 CGBDRO COCC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000338357322 376346452 /nfs/dbraw/zinc/34/64/52/376346452.db2.gz ZQTNHQTVOKOVIU-AWEZNQCLSA-N 1 0 298.358 3.275 20 5 CGBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CC[C@@H]1CCCCO1 ZINC000338363810 376351226 /nfs/dbraw/zinc/35/12/26/376351226.db2.gz YXEAOMFLFWTUHL-INIZCTEOSA-N 1 0 292.379 3.028 20 5 CGBDRO COc1ccc(C[NH2+]CC2(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000227833432 376414961 /nfs/dbraw/zinc/41/49/61/376414961.db2.gz RYEWTGVEALVJHH-UHFFFAOYSA-N 1 0 278.352 3.129 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000540056573 376356260 /nfs/dbraw/zinc/35/62/60/376356260.db2.gz SZJXOVYFJRTQLM-CHWSQXEVSA-N 1 0 278.352 3.237 20 5 CGBDRO Cc1cc(NCc2ccon2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228485778 376438203 /nfs/dbraw/zinc/43/82/03/376438203.db2.gz OPLYVLDPCATCHI-UHFFFAOYSA-N 1 0 284.275 3.052 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1cc(C)ccc1[N+](=O)[O-] ZINC000228765473 376446891 /nfs/dbraw/zinc/44/68/91/376446891.db2.gz SHZFLTJNGYPFAC-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CC2)CC1 ZINC000542521791 376554480 /nfs/dbraw/zinc/55/44/80/376554480.db2.gz QUANVXJBDWCVNF-UHFFFAOYSA-N 1 0 290.363 3.414 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000163855428 321898625 /nfs/dbraw/zinc/89/86/25/321898625.db2.gz FNOMUFVIAWCYMX-SLEUVZQESA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC23CCC(CC2)C3)c1 ZINC000339791250 376850218 /nfs/dbraw/zinc/85/02/18/376850218.db2.gz DYAIGEKPRWBDOF-UHFFFAOYSA-N 1 0 260.337 3.265 20 5 CGBDRO C[C@@H](Nc1c(F)cccc1[N+](=O)[O-])C(C)(C)C[NH+](C)C ZINC000561210648 377212160 /nfs/dbraw/zinc/21/21/60/377212160.db2.gz ODFMLMQPLXNMID-SNVBAGLBSA-N 1 0 283.347 3.122 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000341126235 377408892 /nfs/dbraw/zinc/40/88/92/377408892.db2.gz NOPQITGCDWBBPV-STQMWFEESA-N 1 0 277.368 3.270 20 5 CGBDRO C[C@@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000090794940 249030049 /nfs/dbraw/zinc/03/00/49/249030049.db2.gz ZGLODDDZDZXXCE-NXEZZACHSA-N 1 0 283.759 3.143 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)[C@@H](O)CC ZINC000313084482 249085684 /nfs/dbraw/zinc/08/56/84/249085684.db2.gz JHGXJTRNHLZSKF-ZNMIVQPWSA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)cccc1[N+](=O)[O-] ZINC000249981307 377545076 /nfs/dbraw/zinc/54/50/76/377545076.db2.gz LJDCJOHOMAVBLP-YDHLFZDLSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC[C@H]2C2CCC2)cc1 ZINC000517891670 249273077 /nfs/dbraw/zinc/27/30/77/249273077.db2.gz GSJCQGSMUPTOFL-JKSUJKDBSA-N 1 0 290.363 3.142 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CC[NH2+]Cc2ccccc21 ZINC000261951007 377871289 /nfs/dbraw/zinc/87/12/89/377871289.db2.gz NBWQIOYJNQJYAW-CYBMUJFWSA-N 1 0 297.358 3.266 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CS[C@H](C)C1 ZINC000578976374 378118934 /nfs/dbraw/zinc/11/89/34/378118934.db2.gz BHRSFLYKPDPHJU-GRYCIOLGSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1nccs1 ZINC000269900836 378279237 /nfs/dbraw/zinc/27/92/37/378279237.db2.gz XHANLGJTTSVMEI-NSHDSACASA-N 1 0 291.376 3.287 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000582044965 378281638 /nfs/dbraw/zinc/28/16/38/378281638.db2.gz MOONPLXCVIWSCI-DOMZBBRYSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1ccoc1CN(C)Cc1ccc([N+](=O)[O-])cc1 ZINC000271087158 378450161 /nfs/dbraw/zinc/45/01/61/378450161.db2.gz UJJZXKMDGRVBCN-UHFFFAOYSA-N 1 0 260.293 3.128 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C1CC1 ZINC000271167161 378468241 /nfs/dbraw/zinc/46/82/41/378468241.db2.gz SYUJQSBYJURFQD-SNVBAGLBSA-N 1 0 266.366 3.218 20 5 CGBDRO CC[C@H]([NH2+]CCOC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000272297645 378607644 /nfs/dbraw/zinc/60/76/44/378607644.db2.gz QVEDEAQGDOGGGL-HNNXBMFYSA-N 1 0 278.352 3.205 20 5 CGBDRO CC[C@H](C)[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000272699201 378690242 /nfs/dbraw/zinc/69/02/42/378690242.db2.gz YIHXXLOQFWXQMQ-VIFPVBQESA-N 1 0 256.733 3.179 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000272477221 378646304 /nfs/dbraw/zinc/64/63/04/378646304.db2.gz GEPBXJSBOUODIY-XPKDYRNWSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@H]([NH2+]Cc1cncc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000275047801 378930257 /nfs/dbraw/zinc/93/02/57/378930257.db2.gz JLFJVXXQYCLBNU-HNNXBMFYSA-N 1 0 289.310 3.370 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CC(F)(F)C1)C1CC1 ZINC000276999034 379041648 /nfs/dbraw/zinc/04/16/48/379041648.db2.gz ACSDLEYIEITFCP-CYBMUJFWSA-N 1 0 296.317 3.303 20 5 CGBDRO COC1(C[C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000277197538 379096019 /nfs/dbraw/zinc/09/60/19/379096019.db2.gz VIPDRZZYHYQPMP-GFCCVEGCSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000266433901 190257589 /nfs/dbraw/zinc/25/75/89/190257589.db2.gz DVEGMGMEKZOQJE-BTQDYEIMSA-N 1 0 290.363 3.059 20 5 CGBDRO COCCSCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000278905193 194206412 /nfs/dbraw/zinc/20/64/12/194206412.db2.gz SCTIHXCIPNLILI-GFCCVEGCSA-N 1 0 298.408 3.015 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000374007266 379362952 /nfs/dbraw/zinc/36/29/52/379362952.db2.gz DOPOQVDMQASGOD-ZDUSSCGKSA-N 1 0 272.304 3.177 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000279226012 379416147 /nfs/dbraw/zinc/41/61/47/379416147.db2.gz ZLASTTUBKDXDBQ-SWLSCSKDSA-N 1 0 290.363 3.086 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000266839034 190283788 /nfs/dbraw/zinc/28/37/88/190283788.db2.gz GIQGIMYQVWVUKO-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccccc2N(C)C)cc1[N+](=O)[O-] ZINC000267877061 190360252 /nfs/dbraw/zinc/36/02/52/190360252.db2.gz MWLGMBGDIVVEJQ-UHFFFAOYSA-N 1 0 299.374 3.259 20 5 CGBDRO CC[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000267999439 190368514 /nfs/dbraw/zinc/36/85/14/190368514.db2.gz ZYAUAWPBHUNGEP-UHFFFAOYSA-N 1 0 285.347 3.054 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000414494654 380270924 /nfs/dbraw/zinc/27/09/24/380270924.db2.gz AHFMJDGVEGGCRD-BLLLJJGKSA-N 1 0 292.379 3.196 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC(C)(C)c1cccnc1 ZINC000414565153 380323200 /nfs/dbraw/zinc/32/32/00/380323200.db2.gz YKMKKLSFMBNDCC-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc[nH]1 ZINC000354035102 380292011 /nfs/dbraw/zinc/29/20/11/380292011.db2.gz VXLDMVWDSCNSIE-ALCCZGGFSA-N 1 0 271.320 3.068 20 5 CGBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000354671103 380523217 /nfs/dbraw/zinc/52/32/17/380523217.db2.gz JQGROMHEKSOXDW-QMMMGPOBSA-N 1 0 282.287 3.477 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)c(F)c1 ZINC000355114279 380580124 /nfs/dbraw/zinc/58/01/24/380580124.db2.gz UKKXXAXDYUZHLU-IINYFYTJSA-N 1 0 264.300 3.108 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000355362590 380661382 /nfs/dbraw/zinc/66/13/82/380661382.db2.gz JFQYMDMUOIDTAR-OBJOEFQTSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000356913714 380934739 /nfs/dbraw/zinc/93/47/39/380934739.db2.gz IAWHJRGWVVWFBM-SNVBAGLBSA-N 1 0 292.360 3.083 20 5 CGBDRO CC[N@H+](CCNc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000357237273 381077661 /nfs/dbraw/zinc/07/76/61/381077661.db2.gz KVKTVZHLJXMTNE-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362313279 381939660 /nfs/dbraw/zinc/93/96/60/381939660.db2.gz CELWJQINFZHOLA-QWRGUYRKSA-N 1 0 296.342 3.363 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672654 382245515 /nfs/dbraw/zinc/24/55/15/382245515.db2.gz KGEBBZHUWDPQNR-UKRRQHHQSA-N 1 0 292.379 3.465 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672655 382245833 /nfs/dbraw/zinc/24/58/33/382245833.db2.gz KGEBBZHUWDPQNR-ZFWWWQNUSA-N 1 0 292.379 3.465 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]3CCC[C@@H]32)cc1 ZINC000441435695 285110511 /nfs/dbraw/zinc/11/05/11/285110511.db2.gz FILQDNJPZQTCEC-ZBFHGGJFSA-N 1 0 274.364 3.402 20 5 CGBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CCCC1 ZINC000449740440 533140026 /nfs/dbraw/zinc/14/00/26/533140026.db2.gz GGBPKWCXYDXBKK-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO CSCCC[N@H+](C)C/C=C/c1ccccc1[N+](=O)[O-] ZINC000281220843 195154069 /nfs/dbraw/zinc/15/40/69/195154069.db2.gz KHWCTQRIPYRIHR-VMPITWQZSA-N 1 0 280.393 3.293 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281255672 195170095 /nfs/dbraw/zinc/17/00/95/195170095.db2.gz WHDONONIQTVSHL-GOEBONIOSA-N 1 0 292.379 3.187 20 5 CGBDRO CSCCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000281306502 195189499 /nfs/dbraw/zinc/18/94/99/195189499.db2.gz QCARGJKCSXSUBA-UHFFFAOYSA-N 1 0 268.382 3.088 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281360040 195210112 /nfs/dbraw/zinc/21/01/12/195210112.db2.gz LDLZFZKBUKKZPA-OLZOCXBDSA-N 1 0 278.352 3.157 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000281645512 195320513 /nfs/dbraw/zinc/32/05/13/195320513.db2.gz MPOZMLYGILPLDF-JTQLQIEISA-N 1 0 270.279 3.120 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000411942843 533347308 /nfs/dbraw/zinc/34/73/08/533347308.db2.gz IIYKWJZSQPYFDP-MEBBXXQBSA-N 1 0 296.342 3.027 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCSC1 ZINC000468636939 533409720 /nfs/dbraw/zinc/40/97/20/533409720.db2.gz FXMHLSLIHZYWNE-SVTZGKHISA-N 1 0 278.377 3.093 20 5 CGBDRO C[C@@H](NC[C@@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423384017 533424712 /nfs/dbraw/zinc/42/47/12/533424712.db2.gz JRGBJPGBWSHZMK-DOMZBBRYSA-N 1 0 291.395 3.024 20 5 CGBDRO C[C@@](O)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000191669669 130274959 /nfs/dbraw/zinc/27/49/59/130274959.db2.gz HWAKTJUZLRVQCG-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1Cl)C[C@H]1CCCOC1 ZINC000107064454 392314989 /nfs/dbraw/zinc/31/49/89/392314989.db2.gz DANANHDJTIDHRJ-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000361948382 392373189 /nfs/dbraw/zinc/37/31/89/392373189.db2.gz ZDBBTGIODXZNDS-UFGOTCBOSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H]([NH2+][C@@H]1COc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000143809705 392480458 /nfs/dbraw/zinc/48/04/58/392480458.db2.gz GITHPQACKTVJDJ-WFASDCNBSA-N 1 0 298.342 3.249 20 5 CGBDRO CC1(C)OCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296491760 392559698 /nfs/dbraw/zinc/55/96/98/392559698.db2.gz ORWNZVIIQMAQKJ-GJZGRUSLSA-N 1 0 290.363 3.129 20 5 CGBDRO CCC(CC)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000193245976 392873209 /nfs/dbraw/zinc/87/32/09/392873209.db2.gz YUVIPQYCYKBCMU-NSHDSACASA-N 1 0 293.367 3.008 20 5 CGBDRO C[N@@H+]1CCC[C@@H]1CCSc1ccc([N+](=O)[O-])cc1F ZINC000193504051 392879682 /nfs/dbraw/zinc/87/96/82/392879682.db2.gz CEPLOYQGJDJQAX-SNVBAGLBSA-N 1 0 284.356 3.310 20 5 CGBDRO Cc1cc(N)cc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)c1 ZINC000414967645 393070857 /nfs/dbraw/zinc/07/08/57/393070857.db2.gz QMOIVLVTDGDPDS-UHFFFAOYSA-N 1 0 285.347 3.084 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC1(C)C ZINC000468644757 393157088 /nfs/dbraw/zinc/15/70/88/393157088.db2.gz GLSIZWDELGAYFL-DPQIITEBSA-N 1 0 260.337 3.386 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc[nH]1 ZINC000470175191 393228799 /nfs/dbraw/zinc/22/87/99/393228799.db2.gz PMYHADJRYRWSHT-LCYFTJDESA-N 1 0 285.347 3.458 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+](C)Cc1ccc[nH]1 ZINC000470175201 393228846 /nfs/dbraw/zinc/22/88/46/393228846.db2.gz PMYHADJRYRWSHT-UKTHLTGXSA-N 1 0 285.347 3.458 20 5 CGBDRO Cc1cccc2c1C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC2 ZINC000429557454 393480034 /nfs/dbraw/zinc/48/00/34/393480034.db2.gz HDMMNZVPDTXEEI-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1Cl ZINC000488175807 393468359 /nfs/dbraw/zinc/46/83/59/393468359.db2.gz JBXURKPKHBVLJY-UHFFFAOYSA-N 1 0 285.775 3.392 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429764270 393498902 /nfs/dbraw/zinc/49/89/02/393498902.db2.gz HUFJAYKZDJKMBN-ZWNOBZJWSA-N 1 0 266.316 3.402 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000430207477 393539718 /nfs/dbraw/zinc/53/97/18/393539718.db2.gz QQADIXBXXUSHMB-CHWSQXEVSA-N 1 0 290.363 3.225 20 5 CGBDRO CCc1cnccc1[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000361133956 393679843 /nfs/dbraw/zinc/67/98/43/393679843.db2.gz ASDQDVXOYBNXKR-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000361154852 393687363 /nfs/dbraw/zinc/68/73/63/393687363.db2.gz QZGURYBRNXNAPO-GXTWGEPZSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000453441082 394245514 /nfs/dbraw/zinc/24/55/14/394245514.db2.gz XBVWARKFXCZHQL-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCC2CC(F)(F)C2)c1 ZINC000453586807 394251697 /nfs/dbraw/zinc/25/16/97/394251697.db2.gz IWQTVQPPXTWGJU-UHFFFAOYSA-N 1 0 270.279 3.120 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268900869 285632660 /nfs/dbraw/zinc/63/26/60/285632660.db2.gz OQFWCZYPLVMOMK-TUKIKUTGSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275501070 292296449 /nfs/dbraw/zinc/29/64/49/292296449.db2.gz QZUIFFQEIFYEKB-WFASDCNBSA-N 1 0 292.379 3.057 20 5 CGBDRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000037775627 286887326 /nfs/dbraw/zinc/88/73/26/286887326.db2.gz MZLIBHLBJSGLRJ-LBPRGKRZSA-N 1 0 282.343 3.413 20 5 CGBDRO C[C@@H](CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000089513294 165206945 /nfs/dbraw/zinc/20/69/45/165206945.db2.gz KKFZKXRNFRKGGM-QMMMGPOBSA-N 1 0 262.231 3.025 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392851 165293543 /nfs/dbraw/zinc/29/35/43/165293543.db2.gz SEAYCAFTRBMHDB-HUUCEWRRSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1cccc([N+](=O)[O-])c1 ZINC000121405644 287197860 /nfs/dbraw/zinc/19/78/60/287197860.db2.gz XALSZJSZLPQIJH-LRDDRELGSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H](NCCC[NH+]1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177078 173011038 /nfs/dbraw/zinc/01/10/38/173011038.db2.gz PJJFMYASOOJUHT-CQSZACIVSA-N 1 0 291.395 3.121 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000037255314 173066124 /nfs/dbraw/zinc/06/61/24/173066124.db2.gz YYIMYNMQRVBQPL-YPMHNXCESA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1cccc(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000127261970 287284114 /nfs/dbraw/zinc/28/41/14/287284114.db2.gz PSLCEFACQTYFLW-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000045629124 175381872 /nfs/dbraw/zinc/38/18/72/175381872.db2.gz FFNXUIWOXGAVGY-ZDUSSCGKSA-N 1 0 260.337 3.349 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000130591077 287358872 /nfs/dbraw/zinc/35/88/72/287358872.db2.gz SJLRLKGTALVBFI-DZGCQCFKSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@]1(C)CCCOC1 ZINC000357867650 533682360 /nfs/dbraw/zinc/68/23/60/533682360.db2.gz KWXVLHUOSDPFQD-XJKSGUPXSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176927 270028796 /nfs/dbraw/zinc/02/87/96/270028796.db2.gz JKVZBXQFRMZSMC-ZDUSSCGKSA-N 1 0 270.332 3.488 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CC2(CO)CCCC2)cccc1[N+](=O)[O-] ZINC000186483078 270066063 /nfs/dbraw/zinc/06/60/63/270066063.db2.gz RTBOQANEYIUPKO-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO CC(C)C(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000218977340 270085655 /nfs/dbraw/zinc/08/56/55/270085655.db2.gz NMLBNVTWEDQQHY-UHFFFAOYSA-N 1 0 250.342 3.367 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000237936194 270091150 /nfs/dbraw/zinc/09/11/50/270091150.db2.gz CGJOHVONIOWMBG-HOTGVXAUSA-N 1 0 282.343 3.488 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC(F)(F)F ZINC000530439627 270199806 /nfs/dbraw/zinc/19/98/06/270199806.db2.gz DCZDECKNMSVFHA-SECBINFHSA-N 1 0 292.257 3.090 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC(F)(F)F ZINC000530439628 270199860 /nfs/dbraw/zinc/19/98/60/270199860.db2.gz DCZDECKNMSVFHA-VIFPVBQESA-N 1 0 292.257 3.090 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193366633 273636044 /nfs/dbraw/zinc/63/60/44/273636044.db2.gz WESOTDXXGJJTHZ-GFCCVEGCSA-N 1 0 294.399 3.099 20 5 CGBDRO CO[C@@H](C)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433159526 274055325 /nfs/dbraw/zinc/05/53/25/274055325.db2.gz MFKNYPUANJVKGW-NHYWBVRUSA-N 1 0 292.379 3.332 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000249019463 287796895 /nfs/dbraw/zinc/79/68/95/287796895.db2.gz JXPJQDGTZYITIS-BPLDGKMQSA-N 1 0 292.379 3.073 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1CC=CCC1)CC2 ZINC000353607794 275037634 /nfs/dbraw/zinc/03/76/34/275037634.db2.gz BEOJDUNNPXUUST-ZDUSSCGKSA-N 1 0 272.348 3.309 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]C[C@H]2CCCO2)c2cc([N+](=O)[O-])ccc21 ZINC000279226010 275861005 /nfs/dbraw/zinc/86/10/05/275861005.db2.gz ZLASTTUBKDXDBQ-IUODEOHRSA-N 1 0 290.363 3.086 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CC23CC3)c2cc([N+](=O)[O-])ccc21 ZINC000424333968 275862026 /nfs/dbraw/zinc/86/20/26/275862026.db2.gz YETREKFAAWZLJQ-KGLIPLIRSA-N 1 0 272.348 3.459 20 5 CGBDRO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCCCO1 ZINC000106866796 276002746 /nfs/dbraw/zinc/00/27/46/276002746.db2.gz MMQIJGBBUARGBJ-HNNXBMFYSA-N 1 0 292.379 3.376 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1[N+](=O)[O-] ZINC000432348141 276053474 /nfs/dbraw/zinc/05/34/74/276053474.db2.gz QMSSHFDGZIYRSB-SWLSCSKDSA-N 1 0 292.379 3.233 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123188657 277335960 /nfs/dbraw/zinc/33/59/60/277335960.db2.gz OQFWCZYPLVMOMK-CQDKDKBSSA-N 1 0 278.352 3.203 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000430225095 277840497 /nfs/dbraw/zinc/84/04/97/277840497.db2.gz LFFANFZWLFVHEK-VXGBXAGGSA-N 1 0 278.352 3.366 20 5 CGBDRO CC(C)OCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000396339998 288012872 /nfs/dbraw/zinc/01/28/72/288012872.db2.gz MOQJDWLKQZVMPJ-UHFFFAOYSA-N 1 0 284.331 3.027 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000355358120 278268122 /nfs/dbraw/zinc/26/81/22/278268122.db2.gz XJYPWFGVANELQT-RWMBFGLXSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+]CCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000040767716 278347098 /nfs/dbraw/zinc/34/70/98/278347098.db2.gz XBGJVGQWWIAVAP-CQSZACIVSA-N 1 0 291.395 3.121 20 5 CGBDRO COc1ccc(C[NH2+]C2(C3(C)CC3)CC2)cc1[N+](=O)[O-] ZINC000398190328 288040357 /nfs/dbraw/zinc/04/03/57/288040357.db2.gz RBXHFMJVFFMCMZ-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO C[C@@H]1C[NH+](Cc2c(Cl)cccc2[N+](=O)[O-])C[C@H]1C ZINC000493211113 278773912 /nfs/dbraw/zinc/77/39/12/278773912.db2.gz NZGOTOPGMYMSEV-NXEZZACHSA-N 1 0 268.744 3.336 20 5 CGBDRO C[C@H](CC(C)(C)O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296596345 279248914 /nfs/dbraw/zinc/24/89/14/279248914.db2.gz VHNFCAHTMYPGNJ-ABAIWWIYSA-N 1 0 292.379 3.111 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@@H]1CCCO1 ZINC000449111439 279382868 /nfs/dbraw/zinc/38/28/68/279382868.db2.gz LZWBNAOWTFAQCQ-NFAWXSAZSA-N 1 0 292.379 3.073 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414197654 280584237 /nfs/dbraw/zinc/58/42/37/280584237.db2.gz BVDXEXPKQPPJPD-LNSITVRQSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000275147818 281023531 /nfs/dbraw/zinc/02/35/31/281023531.db2.gz VBCOZEANRBIGQI-ZENOOKHLSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H](C)C[NH+]1CCCCC1 ZINC000150332384 281261316 /nfs/dbraw/zinc/26/13/16/281261316.db2.gz SMOCSYKYEHAXPO-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000532449735 288361537 /nfs/dbraw/zinc/36/15/37/288361537.db2.gz RWZBTCVWVLOBSL-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO CC[NH2+][C@H](c1ccc(CC)o1)c1ccc([N+](=O)[O-])cc1 ZINC000542472849 288753722 /nfs/dbraw/zinc/75/37/22/288753722.db2.gz QNSCUNJCTQXZDN-HNNXBMFYSA-N 1 0 274.320 3.449 20 5 CGBDRO CC[C@H](C)C[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000554833540 289312764 /nfs/dbraw/zinc/31/27/64/289312764.db2.gz NNVCYNREUZORBQ-LBPRGKRZSA-N 1 0 250.342 3.115 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CSC)cc1[N+](=O)[O-] ZINC000153882388 321730160 /nfs/dbraw/zinc/73/01/60/321730160.db2.gz GBWAIPCFYNOCLO-WDEREUQCSA-N 1 0 298.408 3.396 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1=Cc2ccccc2OC1 ZINC000171130914 321921489 /nfs/dbraw/zinc/92/14/89/321921489.db2.gz PDTWRDPZNUHLJJ-UHFFFAOYSA-N 1 0 296.326 3.160 20 5 CGBDRO CC(C)[NH2+]CCCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000563660345 322005500 /nfs/dbraw/zinc/00/55/00/322005500.db2.gz DTJICPQSEFMMOY-UHFFFAOYSA-N 1 0 271.748 3.048 20 5 CGBDRO CCc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000565080959 322058587 /nfs/dbraw/zinc/05/85/87/322058587.db2.gz QJUUKJQVKFRMJS-UHFFFAOYSA-N 1 0 270.332 3.447 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000568367402 322206479 /nfs/dbraw/zinc/20/64/79/322206479.db2.gz JAQRJUFCAVYGDX-BQPHKTIFSA-N 1 0 260.337 3.434 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)ccc1[N+](=O)[O-] ZINC000570089227 322264564 /nfs/dbraw/zinc/26/45/64/322264564.db2.gz ZBBMRPAJQMKYNC-KBPBESRZSA-N 1 0 290.363 3.368 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])n1 ZINC000571103081 322289997 /nfs/dbraw/zinc/28/99/97/322289997.db2.gz FMMULAMWPNUSFW-OAHLLOKOSA-N 1 0 283.331 3.075 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000571453734 322299119 /nfs/dbraw/zinc/29/91/19/322299119.db2.gz APFWCFVRWCRVER-ZIAGYGMSSA-N 1 0 293.411 3.366 20 5 CGBDRO Cc1cc(OCCC[NH+]2CCCCC2)c(F)cc1[N+](=O)[O-] ZINC000571677454 322305143 /nfs/dbraw/zinc/30/51/43/322305143.db2.gz NCUWBQIMHFRVDR-UHFFFAOYSA-N 1 0 296.342 3.297 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1C[C@H]1C ZINC000571947143 322312956 /nfs/dbraw/zinc/31/29/56/322312956.db2.gz QCCPDKDPAMVLBV-OCCSQVGLSA-N 1 0 262.353 3.461 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000583403506 327346286 /nfs/dbraw/zinc/34/62/86/327346286.db2.gz DIMGZGUMTKLOGW-AWEZNQCLSA-N 1 0 293.411 3.113 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000394034649 329095502 /nfs/dbraw/zinc/09/55/02/329095502.db2.gz NKIOJKGUDXDLQV-GDBMZVCRSA-N 1 0 294.395 3.290 20 5 CGBDRO Cc1cccnc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000578083195 335484045 /nfs/dbraw/zinc/48/40/45/335484045.db2.gz ORGCXIADEHSGRO-CQSZACIVSA-N 1 0 283.331 3.075 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000381347870 336059910 /nfs/dbraw/zinc/05/99/10/336059910.db2.gz DKSNRDYDTCOLIU-ZOWXZIJZSA-N 1 0 280.368 3.307 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000426476339 533821670 /nfs/dbraw/zinc/82/16/70/533821670.db2.gz ROTYZYYIHKMXFP-GWCFXTLKSA-N 1 0 294.326 3.117 20 5 CGBDRO Cc1cc(N)cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)c1 ZINC000423489397 533885603 /nfs/dbraw/zinc/88/56/03/533885603.db2.gz WKHNMWNQGSKJLS-LBPRGKRZSA-N 1 0 285.347 3.336 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000449351225 533908404 /nfs/dbraw/zinc/90/84/04/533908404.db2.gz ZXRLALVXFXFHBS-AVGNSLFASA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000414354452 534254077 /nfs/dbraw/zinc/25/40/77/534254077.db2.gz XKIURKPDBNPROQ-IACUBPJLSA-N 1 0 286.331 3.265 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCC(F)(F)F ZINC000449177283 534254220 /nfs/dbraw/zinc/25/42/20/534254220.db2.gz RTKXRMSGYRIKDU-VIFPVBQESA-N 1 0 276.258 3.068 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000537078066 518178177 /nfs/dbraw/zinc/17/81/77/518178177.db2.gz QTRPHFSTSUXHER-RKDXNWHRSA-N 1 0 276.258 3.444 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000184461588 522983875 /nfs/dbraw/zinc/98/38/75/522983875.db2.gz XLGSDYQNTHDKCZ-LBPRGKRZSA-N 1 0 280.368 3.308 20 5 CGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105447654 524900223 /nfs/dbraw/zinc/90/02/23/524900223.db2.gz GLQPNPPQASOFJG-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255673277 525714124 /nfs/dbraw/zinc/71/41/24/525714124.db2.gz RPXWLXADMUMERW-HJHHMULASA-N 1 0 292.404 3.435 20 5 CGBDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000184396742 526214127 /nfs/dbraw/zinc/21/41/27/526214127.db2.gz JIFVRAZRZAOTME-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+][C@@H](CC)c2cccc([N+](=O)[O-])c2)C1 ZINC000414135712 528101950 /nfs/dbraw/zinc/10/19/50/528101950.db2.gz DQAMVXBIBRFTKA-CFVMTHIKSA-N 1 0 278.352 3.203 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449373938 528957687 /nfs/dbraw/zinc/95/76/87/528957687.db2.gz CZNQSMPQDMBUBD-HIFRSBDPSA-N 1 0 294.395 3.321 20 5 CGBDRO CCOC[C@H](C)[NH2+][C@@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000427887870 528978791 /nfs/dbraw/zinc/97/87/91/528978791.db2.gz RIVVAVRTRPXORD-RYUDHWBXSA-N 1 0 296.367 3.069 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000168446690 529048252 /nfs/dbraw/zinc/04/82/52/529048252.db2.gz OGTSVNWHNUAXHB-ZDUSSCGKSA-N 1 0 262.353 3.306 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000191859362 535309922 /nfs/dbraw/zinc/30/99/22/535309922.db2.gz HMSTYAJGNQNINX-CYBMUJFWSA-N 1 0 289.335 3.404 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000452031355 535744386 /nfs/dbraw/zinc/74/43/86/535744386.db2.gz KUHVNOWSHLPHEY-UKRRQHHQSA-N 1 0 278.352 3.032 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000516846965 535966299 /nfs/dbraw/zinc/96/62/99/535966299.db2.gz DSOKTHUREXGISR-HOCLYGCPSA-N 1 0 292.379 3.113 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCCOc2ccccc2)c1 ZINC000049825160 617960605 /nfs/dbraw/zinc/96/06/05/617960605.db2.gz NLLGLHNCSAKOQQ-UHFFFAOYSA-N 1 0 286.331 3.154 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891442666 618211468 /nfs/dbraw/zinc/21/14/68/618211468.db2.gz AGHRIFHLHNJKNP-GFCCVEGCSA-N 1 0 294.351 3.074 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)[C@@H](C)O1 ZINC000840962649 619282074 /nfs/dbraw/zinc/28/20/74/619282074.db2.gz DXWKCIORLIMIQM-CKYFFXLPSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000096610252 619311309 /nfs/dbraw/zinc/31/13/09/619311309.db2.gz NNRCMVBWBRCQAP-LLVKDONJSA-N 1 0 250.342 3.367 20 5 CGBDRO COc1ccncc1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000178814889 619398927 /nfs/dbraw/zinc/39/89/27/619398927.db2.gz BAMLLJNKAVFOFP-UHFFFAOYSA-N 1 0 293.710 3.264 20 5 CGBDRO C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894420623 619530454 /nfs/dbraw/zinc/53/04/54/619530454.db2.gz VUMIKHUOUZLZHH-GHMZBOCLSA-N 1 0 298.770 3.010 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572063 619851556 /nfs/dbraw/zinc/85/15/56/619851556.db2.gz DYZHANRUUJEDOZ-VDBIKXPHSA-N 1 0 278.327 3.290 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@]23C[C@H]2CCC3)cc1Cl ZINC000897375413 620275983 /nfs/dbraw/zinc/27/59/83/620275983.db2.gz SPIGEPOXTKTUND-ZWNOBZJWSA-N 1 0 266.728 3.280 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897458932 620339492 /nfs/dbraw/zinc/33/94/92/620339492.db2.gz GHPWXTJOBLGHDS-BXUZGUMPSA-N 1 0 262.353 3.477 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897464365 620340100 /nfs/dbraw/zinc/34/01/00/620340100.db2.gz LVINWMBLSMCDMH-RDBSUJKOSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1CCCSC1)c1ccccc1[N+](=O)[O-] ZINC000897463940 620340402 /nfs/dbraw/zinc/34/04/02/620340402.db2.gz CXSIDLAMKJDOFX-VXGBXAGGSA-N 1 0 280.393 3.184 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000897463467 620340421 /nfs/dbraw/zinc/34/04/21/620340421.db2.gz GLHCSQPKLWNWJX-DFBGVHRSSA-N 1 0 274.364 3.477 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc([N+](=O)[O-])c1 ZINC000903111805 621585123 /nfs/dbraw/zinc/58/51/23/621585123.db2.gz XBPRDVZYRQWBGI-QMTHXVAHSA-N 1 0 296.392 3.150 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903177610 621614200 /nfs/dbraw/zinc/61/42/00/621614200.db2.gz QGOJUBSXMWHHDB-BXUZGUMPSA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCc2ccoc2)cc([N+](=O)[O-])c1 ZINC000903199977 621623763 /nfs/dbraw/zinc/62/37/63/621623763.db2.gz JEZYBGIJXNAMII-NSHDSACASA-N 1 0 290.319 3.090 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287304 621670441 /nfs/dbraw/zinc/67/04/41/621670441.db2.gz NNVYWVRMEQPRJN-KMUNFCNLSA-N 1 0 260.337 3.434 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000903333269 621689695 /nfs/dbraw/zinc/68/96/95/621689695.db2.gz YMZHOFQSVGBLQW-STQMWFEESA-N 1 0 294.395 3.319 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406234 621729966 /nfs/dbraw/zinc/72/99/66/621729966.db2.gz TWWCFJKTUGEUOB-CVEARBPZSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903437863 621747097 /nfs/dbraw/zinc/74/70/97/621747097.db2.gz QNWRPBQUXQHDKL-JYJNAYRXSA-N 1 0 290.363 3.061 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000905644271 622094080 /nfs/dbraw/zinc/09/40/80/622094080.db2.gz PDVLNCYJMRAUQR-ZIAGYGMSSA-N 1 0 294.395 3.085 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000224428465 622875240 /nfs/dbraw/zinc/87/52/40/622875240.db2.gz KQXWYSBTUDZFES-CORIIIEPSA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)[N@H+](C)CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000226428547 622967425 /nfs/dbraw/zinc/96/74/25/622967425.db2.gz QFUIDXXCHZZSFK-UHFFFAOYSA-N 1 0 285.775 3.390 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230696572 623262196 /nfs/dbraw/zinc/26/21/96/623262196.db2.gz RJRCOHOOOKSUHV-NXEZZACHSA-N 1 0 272.395 3.030 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCCCCCC2)cc1 ZINC000916984302 624224859 /nfs/dbraw/zinc/22/48/59/624224859.db2.gz CNPHKGLWTIJMDV-UHFFFAOYSA-N 1 0 262.353 3.403 20 5 CGBDRO Cc1ccc(C[NH2+]C2([C@H]3CCCCO3)CC2)cc1[N+](=O)[O-] ZINC000923026706 626121773 /nfs/dbraw/zinc/12/17/73/626121773.db2.gz CSHKMTDKVNJZOL-OAHLLOKOSA-N 1 0 290.363 3.095 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)C1 ZINC000758399027 626841935 /nfs/dbraw/zinc/84/19/35/626841935.db2.gz UZZCIDZHPOUJHJ-HNNXBMFYSA-N 1 0 288.351 3.024 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1cccc(F)c1[N+](=O)[O-] ZINC000758453938 626844570 /nfs/dbraw/zinc/84/45/70/626844570.db2.gz RLFPUTXLVDKZCZ-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO CCO[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761509938 627046868 /nfs/dbraw/zinc/04/68/68/627046868.db2.gz CXEFNZFAJXVZNB-GFCCVEGCSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc[nH]1)c1cccc([N+](=O)[O-])c1 ZINC000773125221 627859871 /nfs/dbraw/zinc/85/98/71/627859871.db2.gz YPJQGRUBTZGAEN-MNOVXSKESA-N 1 0 259.309 3.335 20 5 CGBDRO CCCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774113260 627946344 /nfs/dbraw/zinc/94/63/44/627946344.db2.gz VBFBLPJULMRWSC-KBPBESRZSA-N 1 0 294.399 3.445 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCC=CO1 ZINC000783303177 628701488 /nfs/dbraw/zinc/70/14/88/628701488.db2.gz HFTHRTJPYCIKRA-UKRRQHHQSA-N 1 0 290.363 3.198 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC=CO2)cccc1[N+](=O)[O-] ZINC000783309454 628702475 /nfs/dbraw/zinc/70/24/75/628702475.db2.gz JEOZCUFWUNJREV-STQMWFEESA-N 1 0 276.336 3.247 20 5 CGBDRO CO[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C1CC1 ZINC000812773172 631305438 /nfs/dbraw/zinc/30/54/38/631305438.db2.gz QYURTLVSRNIWDS-AWEZNQCLSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1ccccc1CC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553935 631794065 /nfs/dbraw/zinc/79/40/65/631794065.db2.gz NVQSHCIJMITOJF-ZDUSSCGKSA-N 1 0 299.374 3.379 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC2CCC1CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606727 631805205 /nfs/dbraw/zinc/80/52/05/631805205.db2.gz FJDFSIIDMBZCLB-TVRADYJESA-N 1 0 289.379 3.406 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCCF ZINC000866363476 633102420 /nfs/dbraw/zinc/10/24/20/633102420.db2.gz JBEVHFPGYIXRAV-SNVBAGLBSA-N 1 0 272.295 3.004 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866488460 633158271 /nfs/dbraw/zinc/15/82/71/633158271.db2.gz OFIIFHVZCMRFBR-XDTLVQLUSA-N 1 0 298.383 3.149 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000824462445 633247685 /nfs/dbraw/zinc/24/76/85/633247685.db2.gz CKKCCUOIPMAFQU-WHOFXGATSA-N 1 0 278.352 3.203 20 5 CGBDRO COC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824583822 633262070 /nfs/dbraw/zinc/26/20/70/633262070.db2.gz RLEYUYFZBHLSMA-CQSZACIVSA-N 1 0 298.770 3.107 20 5 CGBDRO COC[C@@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000824583821 633262286 /nfs/dbraw/zinc/26/22/86/633262286.db2.gz RLEYUYFZBHLSMA-AWEZNQCLSA-N 1 0 298.770 3.107 20 5 CGBDRO CC[NH+]1CCC(CNc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000122597605 633445787 /nfs/dbraw/zinc/44/57/87/633445787.db2.gz OIICUXNBFRAEJP-UHFFFAOYSA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C(C)(C)C ZINC000122701288 633492823 /nfs/dbraw/zinc/49/28/23/633492823.db2.gz PBJGFTUEVKURPQ-SECBINFHSA-N 1 0 254.305 3.258 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030794 633949466 /nfs/dbraw/zinc/94/94/66/633949466.db2.gz CHGADZVQMKXDSP-NWDGAFQWSA-N 1 0 297.374 3.115 20 5 CGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872047005 633970412 /nfs/dbraw/zinc/97/04/12/633970412.db2.gz BAFIZANBWKEKDG-MNOVXSKESA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000872059974 633982871 /nfs/dbraw/zinc/98/28/71/633982871.db2.gz LEWPIOGANUPWMW-GRYCIOLGSA-N 1 0 296.342 3.200 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872073394 633995770 /nfs/dbraw/zinc/99/57/70/633995770.db2.gz QJWVHLMWIIRVKN-BMIGLBTASA-N 1 0 296.342 3.200 20 5 CGBDRO COCC[C@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129514 634050278 /nfs/dbraw/zinc/05/02/78/634050278.db2.gz GBLVRRYLKKXSLA-UMVBOHGHSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCOC(C)(C)C ZINC000873029686 634234323 /nfs/dbraw/zinc/23/43/23/634234323.db2.gz NXIKGKZTFSJYDA-UHFFFAOYSA-N 1 0 280.368 3.116 20 5 CGBDRO Cc1c(C[NH2+]C23CCC(CC2)C3)cccc1[N+](=O)[O-] ZINC000873105277 634247066 /nfs/dbraw/zinc/24/70/66/634247066.db2.gz YGYNNWKFKZXYQM-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000873136811 634255905 /nfs/dbraw/zinc/25/59/05/634255905.db2.gz JEHPGWVNHNQEBU-WBVHZDCISA-N 1 0 298.342 3.171 20 5 CGBDRO CC[C@H]1CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876917643 634928719 /nfs/dbraw/zinc/92/87/19/634928719.db2.gz FZMAZFHEDUSJAF-LFUGVXIPSA-N 1 0 292.383 3.053 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2nc(Cl)cs2)c1 ZINC000877124081 634991699 /nfs/dbraw/zinc/99/16/99/634991699.db2.gz HKWWSONXEIYOQO-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000877617190 635115155 /nfs/dbraw/zinc/11/51/55/635115155.db2.gz SLERUMKBCOJCHQ-AWEZNQCLSA-N 1 0 296.317 3.443 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CSC1 ZINC000877634260 635123691 /nfs/dbraw/zinc/12/36/91/635123691.db2.gz GGYGYZTUZSYVMT-SMDDNHRTSA-N 1 0 292.404 3.011 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000877827648 635230512 /nfs/dbraw/zinc/23/05/12/635230512.db2.gz HHUUZIKXONMRGK-KKZNHRDASA-N 1 0 270.279 3.289 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000878372903 635478678 /nfs/dbraw/zinc/47/86/78/635478678.db2.gz GNTHGAHIIZPVDK-CHWSQXEVSA-N 1 0 290.363 3.205 20 5 CGBDRO Cc1ccc(C[N@@H+]([C@H](C)CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000878477401 635522037 /nfs/dbraw/zinc/52/20/37/635522037.db2.gz ZPAWJTNXEJBLHL-CYBMUJFWSA-N 1 0 292.379 3.029 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@]3(CC3(F)F)C2)cc1 ZINC000844440240 635902692 /nfs/dbraw/zinc/90/26/92/635902692.db2.gz SFGJHINROPUCCH-CQSZACIVSA-N 1 0 296.317 3.259 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](c2nccs2)C1 ZINC000880313412 635971966 /nfs/dbraw/zinc/97/19/66/635971966.db2.gz MVPAEAGDLRXMOG-LBPRGKRZSA-N 1 0 289.360 3.041 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846112606 636145872 /nfs/dbraw/zinc/14/58/72/636145872.db2.gz SKIVKAMVLGHPMR-QCNRNOMUSA-N 1 0 294.301 3.195 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000847077541 636329908 /nfs/dbraw/zinc/32/99/08/636329908.db2.gz GXOHUHYTXUCSQK-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1cc(N2CC[C@H](CF)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000882841305 636435967 /nfs/dbraw/zinc/43/59/67/636435967.db2.gz RIPICGUKFGEURX-LLVKDONJSA-N 1 0 289.310 3.247 20 5 CGBDRO CSCC[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000848527459 636590626 /nfs/dbraw/zinc/59/06/26/636590626.db2.gz BPGXJCPZRZCDSZ-ZWNOBZJWSA-N 1 0 280.393 3.313 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1C=CCC1 ZINC000883245432 636614081 /nfs/dbraw/zinc/61/40/81/636614081.db2.gz LKJVZKBBLSOJTD-NEPJUHHUSA-N 1 0 278.327 3.221 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H]1CCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000883353913 636696468 /nfs/dbraw/zinc/69/64/68/636696468.db2.gz GSVBJZSMJPMMIO-JKSUJKDBSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000133246946 636888390 /nfs/dbraw/zinc/88/83/90/636888390.db2.gz QPUQRWTZZKZEKM-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO CC[C@H](C)CC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850505835 637094246 /nfs/dbraw/zinc/09/42/46/637094246.db2.gz ZHXRJPCKYBMWOI-WDEREUQCSA-N 1 0 265.357 3.264 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C(C)(C)C1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850551346 637118113 /nfs/dbraw/zinc/11/81/13/637118113.db2.gz HDGPVQQIDPUQNK-PELKAZGASA-N 1 0 299.321 3.119 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[N@H+](Cc1cccnc1[N+](=O)[O-])C1CC1 ZINC000885989033 637343787 /nfs/dbraw/zinc/34/37/87/637343787.db2.gz UWBTVPWYJAHGPT-VXGBXAGGSA-N 1 0 277.368 3.389 20 5 CGBDRO CC[C@H](Cc1ccccc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886021069 637369581 /nfs/dbraw/zinc/36/95/81/637369581.db2.gz OGLZAQVFNXLARS-MRXNPFEDSA-N 1 0 299.374 3.443 20 5 CGBDRO Cc1cccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])c1C ZINC000886112402 637420722 /nfs/dbraw/zinc/42/07/22/637420722.db2.gz XHNXIAFCTNXPFL-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCC[C@H]1C ZINC000886158095 637440981 /nfs/dbraw/zinc/44/09/81/637440981.db2.gz RFSKDAAKIXVIDI-OCCSQVGLSA-N 1 0 277.368 3.390 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1 ZINC000886303636 637491062 /nfs/dbraw/zinc/49/10/62/637491062.db2.gz BNAGPXJAHNROFC-HZPDHXFCSA-N 1 0 297.358 3.416 20 5 CGBDRO O=[N+]([O-])c1ncccc1CN1C[C@@H]2CC[C@H]1c1ccccc12 ZINC000886319817 637499366 /nfs/dbraw/zinc/49/93/66/637499366.db2.gz QDLGIMPAFQMFOK-LRDDRELGSA-N 1 0 295.342 3.424 20 5 CGBDRO CC(C)[C@H](Cc1ccccc1)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886422030 637526986 /nfs/dbraw/zinc/52/69/86/637526986.db2.gz AQZSWEJMVKLVML-INIZCTEOSA-N 1 0 299.374 3.347 20 5 CGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852711855 637698146 /nfs/dbraw/zinc/69/81/46/637698146.db2.gz JNKUWUGTXFKHCU-JGGQBBKZSA-N 1 0 292.379 3.281 20 5 CGBDRO CCC1([NH3+])CCN([C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000925756596 638599218 /nfs/dbraw/zinc/59/92/18/638599218.db2.gz MLLVBCLYVCBLLQ-ZDUSSCGKSA-N 1 0 291.395 3.168 20 5 CGBDRO COC[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000927094530 638840879 /nfs/dbraw/zinc/84/08/79/638840879.db2.gz NVSLVQIYGRMNBT-IUODEOHRSA-N 1 0 292.379 3.090 20 5 CGBDRO COC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000927097224 638841571 /nfs/dbraw/zinc/84/15/71/638841571.db2.gz NMWYQMYAZCVAKR-JSGCOSHPSA-N 1 0 280.368 3.164 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2ccccn2)C2CC2)cc1 ZINC000932378131 639323414 /nfs/dbraw/zinc/32/34/14/639323414.db2.gz KFBIVTANDNEDIS-KRWDZBQOSA-N 1 0 297.358 3.273 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(F)(C3CC3)CC2)c1 ZINC000932629883 639370177 /nfs/dbraw/zinc/37/01/77/639370177.db2.gz JKBFHGBOXZXTIC-UHFFFAOYSA-N 1 0 278.327 3.309 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000934396953 639601670 /nfs/dbraw/zinc/60/16/70/639601670.db2.gz SHDWTYZKEZVHBC-WFASDCNBSA-N 1 0 290.363 3.347 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934688153 639657353 /nfs/dbraw/zinc/65/73/53/639657353.db2.gz SPTFLJPRYKNNBE-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000189717473 640204955 /nfs/dbraw/zinc/20/49/55/640204955.db2.gz HUUSJZQCQOAIRJ-GFCCVEGCSA-N 1 0 298.770 3.295 20 5 CGBDRO CCCC[NH+](CCCC)Cn1nc(C)c([N+](=O)[O-])c1C ZINC000078493844 640318430 /nfs/dbraw/zinc/31/84/30/640318430.db2.gz DMBCBNRJWQZIKW-UHFFFAOYSA-N 1 0 282.388 3.268 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773083 640802324 /nfs/dbraw/zinc/80/23/24/640802324.db2.gz BJDPJOAFEPCLFW-ZWNOBZJWSA-N 1 0 266.316 3.402 20 5 CGBDRO c1cnc2c(c1)cc(NC1=CCC[NH2+]C1)c1cccnc12 ZINC001159736444 806165430 /nfs/dbraw/zinc/16/54/30/806165430.db2.gz NMQHEAZNXAAQQO-UHFFFAOYSA-N 1 0 276.343 3.072 20 5 CGBDRO CC[NH2+]Cc1cccc(Nc2ccc(N)c([N+](=O)[O-])c2)c1 ZINC001159956929 806204013 /nfs/dbraw/zinc/20/40/13/806204013.db2.gz XMKKOXZROZDLFI-UHFFFAOYSA-N 1 0 286.335 3.030 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccccc1CC[NH3+] ZINC001159997399 806210927 /nfs/dbraw/zinc/21/09/27/806210927.db2.gz GHRRPZSMQYQVGY-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO CC/C=C/[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254469598 806413006 /nfs/dbraw/zinc/41/30/06/806413006.db2.gz RIBCMBPDYQFIOJ-XCVCLJGOSA-N 1 0 275.352 3.077 20 5 CGBDRO Cc1ccnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254533861 806445042 /nfs/dbraw/zinc/44/50/42/806445042.db2.gz PTVDGBSZFIYWJV-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CF)C1 ZINC001254563291 806451533 /nfs/dbraw/zinc/45/15/33/806451533.db2.gz WEMZUXNIHUEZFH-CHWSQXEVSA-N 1 0 280.343 3.207 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CCCc1ccccc1)C2 ZINC001254566069 806452586 /nfs/dbraw/zinc/45/25/86/806452586.db2.gz HKWXQHDZQXSPAC-KRWDZBQOSA-N 1 0 296.370 3.284 20 5 CGBDRO Cc1cccc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)n1 ZINC001254576795 806454030 /nfs/dbraw/zinc/45/40/30/806454030.db2.gz ZLZMIHPLXQUQKH-SWLSCSKDSA-N 1 0 297.358 3.116 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)c(C)c1 ZINC001254572464 806454446 /nfs/dbraw/zinc/45/44/46/806454446.db2.gz OGNCDAOMEDENQA-KRWDZBQOSA-N 1 0 296.370 3.469 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@@H](O)c1ccco1 ZINC001162262134 806544202 /nfs/dbraw/zinc/54/42/02/806544202.db2.gz XNWFXLLVWZABHQ-MRXNPFEDSA-N 1 0 289.399 3.021 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OCC[NH+]2CCCCC2)c1 ZINC000093307938 798964249 /nfs/dbraw/zinc/96/42/49/798964249.db2.gz OWBHCFSYFQJWCB-UHFFFAOYSA-N 1 0 284.743 3.113 20 5 CGBDRO Cc1cccc(N[C@@H]2C[NH2+]Cc3ccsc32)c1[N+](=O)[O-] ZINC001163226461 806728776 /nfs/dbraw/zinc/72/87/76/806728776.db2.gz HLEIRHLMDSACEI-GFCCVEGCSA-N 1 0 289.360 3.221 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)O1 ZINC000686513110 799734992 /nfs/dbraw/zinc/73/49/92/799734992.db2.gz AALVRHZXQAMJIJ-VWYCJHECSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])[C@@H](C)O1 ZINC000686507218 799735194 /nfs/dbraw/zinc/73/51/94/799735194.db2.gz PGDDSFIBPQJPIL-GMTAPVOTSA-N 1 0 298.770 3.151 20 5 CGBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000693111330 799808048 /nfs/dbraw/zinc/80/80/48/799808048.db2.gz UGTMUDADZVSCMG-LLVKDONJSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(OC[C@@H]2CCCC[NH2+]C2)c1 ZINC000697080285 799843356 /nfs/dbraw/zinc/84/33/56/799843356.db2.gz BNDBVXPQHALJCO-SNVBAGLBSA-N 1 0 284.743 3.017 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccc([N+](=O)[O-])cc1 ZINC000697966625 799851178 /nfs/dbraw/zinc/85/11/78/799851178.db2.gz RNQXBBJFTXORFV-VTPLQMEGSA-N 1 0 260.337 3.292 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000704813964 799941395 /nfs/dbraw/zinc/94/13/95/799941395.db2.gz KAROLKXGELCDQX-NEPJUHHUSA-N 1 0 280.393 3.389 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000709966067 800025166 /nfs/dbraw/zinc/02/51/66/800025166.db2.gz FOVUVPGNRFLGTI-CQSZACIVSA-N 1 0 291.376 3.335 20 5 CGBDRO CC1(C)CCC[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)O1 ZINC000714348773 800119609 /nfs/dbraw/zinc/11/96/09/800119609.db2.gz DLFVASVBYTYTAE-CQSZACIVSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716642834 800177070 /nfs/dbraw/zinc/17/70/70/800177070.db2.gz XMNZONWPKPWGHG-KXGXSXBTSA-N 1 0 266.366 3.038 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000716890275 800183699 /nfs/dbraw/zinc/18/36/99/800183699.db2.gz IFBOSFITJXPEMF-YRGRVCCFSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1ccc(C[NH2+]C2(C3CC3)CCC2)cc1[N+](=O)[O-] ZINC000717903257 800206607 /nfs/dbraw/zinc/20/66/07/800206607.db2.gz GBPJEVNFQGPDRJ-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO COCC(C)(C)CC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000718663855 800218157 /nfs/dbraw/zinc/21/81/57/800218157.db2.gz HMMNTJLINXXCLM-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO COCC(C)(C)CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000718669936 800219466 /nfs/dbraw/zinc/21/94/66/800219466.db2.gz HYEWARRVDFAZNX-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000718669065 800219774 /nfs/dbraw/zinc/21/97/74/800219774.db2.gz CXPHYPWHEQVZGV-LBPRGKRZSA-N 1 0 280.368 3.308 20 5 CGBDRO C[C@@H](CC(C)(C)C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120497324 802746667 /nfs/dbraw/zinc/74/66/67/802746667.db2.gz UHFLMTXNEFCACN-SMDDNHRTSA-N 1 0 280.368 3.043 20 5 CGBDRO C=Cc1ccc(CNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)cc1 ZINC001168577506 807449548 /nfs/dbraw/zinc/44/95/48/807449548.db2.gz DHXXAODFNOMFRK-UHFFFAOYSA-N 1 0 295.342 3.453 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c1F ZINC001168601271 807453833 /nfs/dbraw/zinc/45/38/33/807453833.db2.gz QEFHFDWSCIGKEO-JSGCOSHPSA-N 1 0 295.358 3.327 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1 ZINC001168965571 807542795 /nfs/dbraw/zinc/54/27/95/807542795.db2.gz ARSFOMXZDPRZRQ-GLQYFDAESA-N 1 0 280.343 3.312 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168963177 807543041 /nfs/dbraw/zinc/54/30/41/807543041.db2.gz OLOQHJJTAUPRJZ-AEGPPILISA-N 1 0 262.353 3.173 20 5 CGBDRO CC(C)(Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968178 807543538 /nfs/dbraw/zinc/54/35/38/807543538.db2.gz XGMKVHQZYXCOAS-HIFRSBDPSA-N 1 0 294.370 3.182 20 5 CGBDRO Cc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968233 807543844 /nfs/dbraw/zinc/54/38/44/807543844.db2.gz XTCDJLIOSPWGDU-BXUZGUMPSA-N 1 0 282.771 3.183 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC001168975814 807544789 /nfs/dbraw/zinc/54/47/89/807544789.db2.gz XHYZHTDGIOBNKS-NEPJUHHUSA-N 1 0 294.782 3.364 20 5 CGBDRO CCCC[C@H](CC)C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977722 807545332 /nfs/dbraw/zinc/54/53/32/807545332.db2.gz LMYWTRZRGGROGW-BFHYXJOUSA-N 1 0 256.390 3.238 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC001168976728 807545374 /nfs/dbraw/zinc/54/53/74/807545374.db2.gz FTAOCWWDFKFBQK-OCCSQVGLSA-N 1 0 254.374 3.134 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3CCCC[C@H]23)C1 ZINC001168978395 807545624 /nfs/dbraw/zinc/54/56/24/807545624.db2.gz RVDNZFNSEHMJIF-OLMNGRFOSA-N 1 0 280.412 3.380 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168987541 807547890 /nfs/dbraw/zinc/54/78/90/807547890.db2.gz JLYJDVBUYQBLRZ-NILFDRSVSA-N 1 0 280.343 3.312 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001168992801 807547929 /nfs/dbraw/zinc/54/79/29/807547929.db2.gz KSSNNUYVKQPJKM-BBRMVZONSA-N 1 0 274.364 3.099 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007451 807551252 /nfs/dbraw/zinc/55/12/52/807551252.db2.gz NWCILOGBMVJJHI-UMVBOHGHSA-N 1 0 274.364 3.051 20 5 CGBDRO CC[N@H+](Cc1cccs1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169039799 807556814 /nfs/dbraw/zinc/55/68/14/807556814.db2.gz UBIRATXVKBRBBY-VXGBXAGGSA-N 1 0 268.382 3.015 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)C1 ZINC001169039774 807557430 /nfs/dbraw/zinc/55/74/30/807557430.db2.gz TUDIIPINMGDZNM-XNRPHZJLSA-N 1 0 292.354 3.060 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@@H](c3cccc(F)c3)C2)C1 ZINC001169038169 807557784 /nfs/dbraw/zinc/55/77/84/807557784.db2.gz WJJNSBCDKXFRMS-XPKDYRNWSA-N 1 0 292.354 3.060 20 5 CGBDRO CS[C@@H]1CC[C@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001262006453 807804221 /nfs/dbraw/zinc/80/42/21/807804221.db2.gz RZJVLMJOAWOLSJ-LSDHHAIUSA-N 1 0 294.420 3.353 20 5 CGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC001262006452 807804623 /nfs/dbraw/zinc/80/46/23/807804623.db2.gz RZJVLMJOAWOLSJ-HUUCEWRRSA-N 1 0 294.420 3.353 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC(C)(C)C2)c([N+](=O)[O-])c1 ZINC001170345230 807828617 /nfs/dbraw/zinc/82/86/17/807828617.db2.gz IIYSFQHCUMHBBR-LBPRGKRZSA-N 1 0 292.379 3.266 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC(C)(C)C)c1F ZINC001173175903 808533277 /nfs/dbraw/zinc/53/32/77/808533277.db2.gz UTTUPVPCFNYDGN-SNVBAGLBSA-N 1 0 298.358 3.309 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H]1C ZINC001173226499 808541188 /nfs/dbraw/zinc/54/11/88/808541188.db2.gz MFCJULCRWFIWBS-OLZOCXBDSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC001173227106 808541666 /nfs/dbraw/zinc/54/16/66/808541666.db2.gz OCVXFYMDCWBZDQ-FZMZJTMJSA-N 1 0 296.317 3.257 20 5 CGBDRO CN(C)c1cc(Nc2ccc(/C=C/[N+](=O)[O-])cc2)cc[nH+]1 ZINC001175901252 809568236 /nfs/dbraw/zinc/56/82/36/809568236.db2.gz MECWTIVBPWNGDR-CSKARUKUSA-N 1 0 284.319 3.139 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001184839395 810221088 /nfs/dbraw/zinc/22/10/88/810221088.db2.gz IHEHRKDAPYUCII-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC001186871938 810367126 /nfs/dbraw/zinc/36/71/26/810367126.db2.gz DYCVVUAUFGYWNQ-DGCLKSJQSA-N 1 0 295.408 3.394 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]c(C3CCC3)c2)cn1 ZINC001203570272 812396185 /nfs/dbraw/zinc/39/61/85/812396185.db2.gz VNAFSCLBZNALLY-UHFFFAOYSA-N 1 0 270.292 3.396 20 5 CGBDRO [NH3+]CCCO[C@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001217927205 816002553 /nfs/dbraw/zinc/00/25/53/816002553.db2.gz AJSAKPNERSEXIT-MRXNPFEDSA-N 1 0 286.331 3.050 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2cc(Cl)c([N+](=O)[O-])cc2Cl)C1 ZINC001217955022 816016304 /nfs/dbraw/zinc/01/63/04/816016304.db2.gz VHQJFPAUXJALNI-LJGSYFOKSA-N 1 0 291.134 3.031 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CCCC[NH2+]C2)ccc2ccccc21 ZINC001217974522 816026673 /nfs/dbraw/zinc/02/66/73/816026673.db2.gz OEYKHWBWXIAZQA-CYBMUJFWSA-N 1 0 286.331 3.269 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001217992646 816038969 /nfs/dbraw/zinc/03/89/69/816038969.db2.gz SMPGIDPYTTWWAP-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001218021650 816058298 /nfs/dbraw/zinc/05/82/98/816058298.db2.gz CBAKEGAGTPPXGZ-TVQRCGJNSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001218030069 816064327 /nfs/dbraw/zinc/06/43/27/816064327.db2.gz PEZWHXOQDYHGLF-TVQRCGJNSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1C[C@H](Oc2ccc3nc4ccccc4nc3c2)CC[NH2+]1 ZINC001218056445 816078632 /nfs/dbraw/zinc/07/86/32/816078632.db2.gz ODUBSQDOUMAMGX-GXTWGEPZSA-N 1 0 293.370 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c(Cl)c1 ZINC001218089506 816091227 /nfs/dbraw/zinc/09/12/27/816091227.db2.gz JKVVDIFWIBYNLW-ZIAGYGMSSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218090982 816091966 /nfs/dbraw/zinc/09/19/66/816091966.db2.gz JOYGXUPVDOYKFD-HOTGVXAUSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@H]2CCC[C@]23CC[NH2+]C3)c1 ZINC001218092241 816094091 /nfs/dbraw/zinc/09/40/91/816094091.db2.gz QMGUPFXQJTZVEX-UONOGXRCSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218095279 816095670 /nfs/dbraw/zinc/09/56/70/816095670.db2.gz OZASMFYAJVSFFY-HOCLYGCPSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218097153 816097770 /nfs/dbraw/zinc/09/77/70/816097770.db2.gz TUFKSVKNLXIPEM-HOTGVXAUSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[C@]12CC[NH2+]C2 ZINC001218113704 816102124 /nfs/dbraw/zinc/10/21/24/816102124.db2.gz CWLOTZZQQFVSJR-SMDDNHRTSA-N 1 0 296.754 3.078 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1CC[C@]12CC[NH2+]C2 ZINC001218117658 816104982 /nfs/dbraw/zinc/10/49/82/816104982.db2.gz TYQDPYTZCILECD-NVXWUHKLSA-N 1 0 298.342 3.269 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)cc(C)c1[N+](=O)[O-] ZINC001218307714 816159505 /nfs/dbraw/zinc/15/95/05/816159505.db2.gz BTAZPGNAIHDHLX-CYBMUJFWSA-N 1 0 290.363 3.265 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]C3(CCC3)C2)cc([N+](=O)[O-])c1C ZINC001218310407 816160453 /nfs/dbraw/zinc/16/04/53/816160453.db2.gz VDTVYWLCPGXXER-CYBMUJFWSA-N 1 0 290.363 3.265 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001218381618 816183774 /nfs/dbraw/zinc/18/37/74/816183774.db2.gz FENITFXDTQOWSB-BDJLRTHQSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1Oc1ccc(-c2cccc([N+](=O)[O-])c2)cc1 ZINC001218394666 816189596 /nfs/dbraw/zinc/18/95/96/816189596.db2.gz YZFGNHKJXFGOKH-MEDUHNTESA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@H]1CC[C@H](Oc2cccc3nc4ccccc4nc32)C[NH2+]1 ZINC001218405288 816197650 /nfs/dbraw/zinc/19/76/50/816197650.db2.gz LSETWKIGWPYRMR-STQMWFEESA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC001218476578 816233854 /nfs/dbraw/zinc/23/38/54/816233854.db2.gz IOPMGBSQMKNFPZ-LBPRGKRZSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc2nc3ccccc3nc2c1 ZINC001218482387 816236749 /nfs/dbraw/zinc/23/67/49/816236749.db2.gz IOYSHIBRFWACQN-XIKOKIGWSA-N 1 0 293.370 3.160 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218480958 816237144 /nfs/dbraw/zinc/23/71/44/816237144.db2.gz GTAMFBBZGQQSTC-ABAIWWIYSA-N 1 0 292.379 3.269 20 5 CGBDRO Cc1c(CO[C@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223330500 816607096 /nfs/dbraw/zinc/60/70/96/816607096.db2.gz RQUXSUJEMDSDER-HNNXBMFYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@@H](OC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC001224707221 816860137 /nfs/dbraw/zinc/86/01/37/816860137.db2.gz PBRXVLKEYDGAOL-OLZOCXBDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[N+](C)(C)CCO[C@@H]1CCc2cc(Br)ccc21 ZINC001224771567 816878028 /nfs/dbraw/zinc/87/80/28/816878028.db2.gz OBOCOIIKPAQQJM-CQSZACIVSA-N 1 0 299.232 3.159 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c(Cl)c1 ZINC001225231131 816971092 /nfs/dbraw/zinc/97/10/92/816971092.db2.gz HWOUAZOLXKHWOF-VIFPVBQESA-N 1 0 263.188 3.467 20 5 CGBDRO Cc1cccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001225635264 817120877 /nfs/dbraw/zinc/12/08/77/817120877.db2.gz CPMINGXDZHHXMV-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Br)ccc1F ZINC001225797704 817182248 /nfs/dbraw/zinc/18/22/48/817182248.db2.gz FONMWLZRYFBLLX-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1OC(F)(F)F ZINC001225946058 817226204 /nfs/dbraw/zinc/22/62/04/817226204.db2.gz HDBVFHFVEZOISK-JTQLQIEISA-N 1 0 278.294 3.059 20 5 CGBDRO CCc1cccc(CC)c1O[C@@H](C)C[N+](C)(C)C ZINC001226176678 817291425 /nfs/dbraw/zinc/29/14/25/817291425.db2.gz FXORRVDYIIVWPM-ZDUSSCGKSA-N 1 0 250.406 3.285 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC001226949880 817515035 /nfs/dbraw/zinc/51/50/35/817515035.db2.gz AQXQXJXEJSQNNZ-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(-c2ccccc2)ccn1 ZINC001226950897 817515301 /nfs/dbraw/zinc/51/53/01/817515301.db2.gz XXUZUQCESOQTCK-AWEZNQCLSA-N 1 0 271.384 3.222 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1O[C@@H]1[C@@H]2CCC[C@H]1C[N@@H+](C)C2 ZINC001226971729 817521764 /nfs/dbraw/zinc/52/17/64/817521764.db2.gz ROJNNPJZVFRTDE-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(C(C)(C)C)ccc1O ZINC001227429405 817647408 /nfs/dbraw/zinc/64/74/08/817647408.db2.gz ZHFJABVDLDATSU-GFCCVEGCSA-O 1 0 266.405 3.163 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1Cl ZINC001227512340 817661780 /nfs/dbraw/zinc/66/17/80/817661780.db2.gz XCFPLFCSGAHPIU-VIFPVBQESA-N 1 0 263.188 3.467 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227765493 817717413 /nfs/dbraw/zinc/71/74/13/817717413.db2.gz WULLRWIADTZPNI-OAHLLOKOSA-N 1 0 278.355 3.471 20 5 CGBDRO COc1cc(O[C@@H](C)C[N+](C)(C)C)cc(C(F)(F)F)c1 ZINC001227860024 817738383 /nfs/dbraw/zinc/73/83/83/817738383.db2.gz RTWAMUYGXWCNKH-JTQLQIEISA-N 1 0 292.321 3.188 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(OC(F)(F)F)c1 ZINC001227869805 817739411 /nfs/dbraw/zinc/73/94/11/817739411.db2.gz BSLKBPKAUUKVGM-SECBINFHSA-N 1 0 296.284 3.198 20 5 CGBDRO CCOc1cc(C)c(O[C@H](C)C[N+](C)(C)C)c(F)c1F ZINC001228360235 817889005 /nfs/dbraw/zinc/88/90/05/817889005.db2.gz ZNXPTQMSTGCWMI-LLVKDONJSA-N 1 0 288.358 3.145 20 5 CGBDRO Cc1ccc2c(ccnc2O[C@@H](C)C[N+](C)(C)C)c1 ZINC001228640923 817959780 /nfs/dbraw/zinc/95/97/80/817959780.db2.gz ZDLIESIWHZGSOS-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccsc2c1 ZINC001233602801 818656295 /nfs/dbraw/zinc/65/62/95/818656295.db2.gz BRZQLVFNNBKMDC-NSHDSACASA-N 1 0 250.387 3.375 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccnc(Cl)c2c1 ZINC001233863902 818719764 /nfs/dbraw/zinc/71/97/64/818719764.db2.gz NHRWZENSLSMSCB-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ncc(Cl)cc1C(F)(F)F ZINC001233969913 818743963 /nfs/dbraw/zinc/74/39/63/818743963.db2.gz NLCVAHPSNMERMA-MRVPVSSYSA-N 1 0 297.728 3.227 20 5 CGBDRO Cc1cc(F)c(O[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001234057252 818770234 /nfs/dbraw/zinc/77/02/34/818770234.db2.gz SIFNADDBMGLIEL-GDNZZTSVSA-N 1 0 294.326 3.046 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c2ncccc12 ZINC001234341699 818842231 /nfs/dbraw/zinc/84/22/31/818842231.db2.gz OQCSUKIKGBEGMS-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cnc(Cl)c(C(F)(F)F)c1 ZINC001234964691 818967766 /nfs/dbraw/zinc/96/77/66/818967766.db2.gz QKSZAZJKUNTWOF-QMMMGPOBSA-N 1 0 297.728 3.227 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@@H]2[NH2+]C[C@H]2C1 ZINC001236281489 819413100 /nfs/dbraw/zinc/41/31/00/819413100.db2.gz HHQHHIUWIKBKFQ-JXFKEZNVSA-N 1 0 288.394 3.397 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001330324604 935285218 /nfs/dbraw/zinc/28/52/18/935285218.db2.gz UETYFHJFEOHGSY-AWEZNQCLSA-N 1 0 289.310 3.370 20 5 CGBDRO Cc1cccnc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001345078724 936800525 /nfs/dbraw/zinc/80/05/25/936800525.db2.gz UTLTYAPLSIBJHI-UHFFFAOYSA-N 1 0 299.374 3.411 20 5 CGBDRO CC[C@H](C)C[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000227859927 927544624 /nfs/dbraw/zinc/54/46/24/927544624.db2.gz FINBKVZJZIZWAL-YWPYICTPSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1cc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])s1 ZINC001458367333 937460086 /nfs/dbraw/zinc/46/00/86/937460086.db2.gz JAXYYWMRGSBFAQ-LBPRGKRZSA-N 1 0 297.424 3.497 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC001458491418 937465747 /nfs/dbraw/zinc/46/57/47/937465747.db2.gz QDOSDLKXCZCPDG-KGLIPLIRSA-N 1 0 293.342 3.019 20 5 CGBDRO Cc1nc2ccc(O[C@H](C)C[N+](C)(C)C)cc2s1 ZINC001229318643 932132840 /nfs/dbraw/zinc/13/28/40/932132840.db2.gz WUERMECARRNJNQ-SNVBAGLBSA-N 1 0 265.402 3.078 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCNc1ccccc1 ZINC001461259803 937572987 /nfs/dbraw/zinc/57/29/87/937572987.db2.gz BYSWKAKXAXBGBP-UHFFFAOYSA-N 1 0 299.374 3.413 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(N=O)c2cccnc12 ZINC001229948370 932506729 /nfs/dbraw/zinc/50/67/29/932506729.db2.gz MOKPZSYYEDXHKF-LLVKDONJSA-N 1 0 274.344 3.106 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC001230478336 932576716 /nfs/dbraw/zinc/57/67/16/932576716.db2.gz WZRWIHHOSWYDSP-HDJSIYSDSA-N 1 0 292.379 3.463 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cccc(Cl)c1[N+](=O)[O-])C2 ZINC001230917865 932641348 /nfs/dbraw/zinc/64/13/48/932641348.db2.gz KUYHRDDCKZMZEA-JGPRNRPPSA-N 1 0 296.754 3.252 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001307415065 932949856 /nfs/dbraw/zinc/94/98/56/932949856.db2.gz LSLOVLYVCGOKHM-ZIAGYGMSSA-N 1 0 291.395 3.151 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC001307836298 933006415 /nfs/dbraw/zinc/00/64/15/933006415.db2.gz JHGIRBQQWOGNKW-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC001472761107 937783038 /nfs/dbraw/zinc/78/30/38/937783038.db2.gz TXMNKOUFWGSTRC-UHFFFAOYSA-N 1 0 299.802 3.416 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC3(CC3(F)F)C2)c(F)c1 ZINC001327843712 935088982 /nfs/dbraw/zinc/08/89/82/935088982.db2.gz DJLXGNUARSNSBF-UHFFFAOYSA-N 1 0 286.253 3.011 20 5 CGBDRO C[C@H](NC/C=C/C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276884 935455866 /nfs/dbraw/zinc/45/58/66/935455866.db2.gz IQZFTQQFQZZSKG-FSIBCCDJSA-N 1 0 264.300 3.351 20 5 CGBDRO C[C@@H](NC/C=C\C1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC001332276886 935456115 /nfs/dbraw/zinc/45/61/15/935456115.db2.gz IQZFTQQFQZZSKG-UMBAGQNISA-N 1 0 264.300 3.351 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CSC2)cc1Cl ZINC001474756339 937879141 /nfs/dbraw/zinc/87/91/41/937879141.db2.gz COMRGMATZNWQET-UHFFFAOYSA-N 1 0 286.784 3.091 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)Nc1ccccc1[N+](=O)[O-] ZINC001517933861 938013338 /nfs/dbraw/zinc/01/33/38/938013338.db2.gz AHNGCFHIYMLLOZ-GFCCVEGCSA-N 1 0 265.357 3.127 20 5 CGBDRO Cc1ccc(NCC2(C[NH+](C)C)CCCC2)c([N+](=O)[O-])c1 ZINC001559161450 938221335 /nfs/dbraw/zinc/22/13/35/938221335.db2.gz AJDPQRXBFCTKHT-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC001559656519 938232012 /nfs/dbraw/zinc/23/20/12/938232012.db2.gz QUUJKDGDNBRIJF-SFHVURJKSA-N 1 0 296.370 3.105 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC001559929242 938239307 /nfs/dbraw/zinc/23/93/07/938239307.db2.gz GHXHZBIZOSYUJZ-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3ncccc23)cc1 ZINC001560283151 938250977 /nfs/dbraw/zinc/25/09/77/938250977.db2.gz ZXPDXGHKKHGLNI-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO C[C@H]1CCCC[C@@H]1CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC001560809694 938277041 /nfs/dbraw/zinc/27/70/41/938277041.db2.gz VIOPBAVMOAKADL-UONOGXRCSA-N 1 0 291.395 3.186 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCC23CCC3)c1 ZINC000337482485 214111886 /nfs/dbraw/zinc/11/18/86/214111886.db2.gz RFCVEQJLBZEIQJ-AWEZNQCLSA-N 1 0 260.337 3.060 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000127775727 187332587 /nfs/dbraw/zinc/33/25/87/187332587.db2.gz XDCQVJZZSJZSCF-ZDUSSCGKSA-N 1 0 285.347 3.491 20 5 CGBDRO Cc1ccc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])nc1 ZINC000590754405 346871899 /nfs/dbraw/zinc/87/18/99/346871899.db2.gz FOQRBFHXOZRYOJ-ZDUSSCGKSA-N 1 0 285.347 3.491 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000160087433 529689627 /nfs/dbraw/zinc/68/96/27/529689627.db2.gz RMHMTGNPPLNAQD-KBPBESRZSA-N 1 0 293.411 3.284 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000126605876 187251394 /nfs/dbraw/zinc/25/13/94/187251394.db2.gz REFSGVNDRZBNSO-NSHDSACASA-N 1 0 268.382 3.168 20 5 CGBDRO C[C@H]1CN(Cc2csc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186708 346970396 /nfs/dbraw/zinc/97/03/96/346970396.db2.gz FDMFUGIHAGQKDG-NSHDSACASA-N 1 0 296.392 3.190 20 5 CGBDRO CCCC[C@@](C)(CO)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000592374462 346980141 /nfs/dbraw/zinc/98/01/41/346980141.db2.gz IUPXHJKLNBUTTJ-DYLHUKMJSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000128231957 187358912 /nfs/dbraw/zinc/35/89/12/187358912.db2.gz RNSBNWFJAGIUHS-LSDHHAIUSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000593320970 347062086 /nfs/dbraw/zinc/06/20/86/347062086.db2.gz VWHBUJTXBWAKJM-SWLSCSKDSA-N 1 0 297.358 3.282 20 5 CGBDRO COc1ccc(C[N@H+](C)Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000042976078 344991567 /nfs/dbraw/zinc/99/15/67/344991567.db2.gz YIEKDLSYEPHXKY-UHFFFAOYSA-N 1 0 286.331 3.235 20 5 CGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])s2)CCCCC1 ZINC000048999424 345069840 /nfs/dbraw/zinc/06/98/40/345069840.db2.gz BYTHXYKYOCWJCJ-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1CCCCCC1 ZINC000062726250 345240189 /nfs/dbraw/zinc/24/01/89/345240189.db2.gz XZBBVQXKVJTWFS-UHFFFAOYSA-N 1 0 262.353 3.450 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000059403318 345207179 /nfs/dbraw/zinc/20/71/79/345207179.db2.gz HSYIWOXZPFJGCQ-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO Cc1ccc(C[NH2+]CCCc2nccs2)cc1[N+](=O)[O-] ZINC000076892387 345553613 /nfs/dbraw/zinc/55/36/13/345553613.db2.gz YPFNCQLHPBKSIP-UHFFFAOYSA-N 1 0 291.376 3.082 20 5 CGBDRO Cc1cc(N2CCC[C@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080611264 345680049 /nfs/dbraw/zinc/68/00/49/345680049.db2.gz MKBWHEDULRQEPF-NSHDSACASA-N 1 0 297.786 3.087 20 5 CGBDRO C[C@H]1C[C@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000158468059 232237525 /nfs/dbraw/zinc/23/75/25/232237525.db2.gz OGMUWTGYCXFTNB-VHSXEESVSA-N 1 0 283.759 3.143 20 5 CGBDRO COc1ccc(COc2cc(C)[nH+]c(C)c2)cc1[N+](=O)[O-] ZINC000128199802 346039066 /nfs/dbraw/zinc/03/90/66/346039066.db2.gz KRCLCGPKOYJYRY-UHFFFAOYSA-N 1 0 288.303 3.194 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc(O)cc1)c1ccccc1[N+](=O)[O-] ZINC000135459112 346088085 /nfs/dbraw/zinc/08/80/85/346088085.db2.gz LDBNJGAAPMKCFS-LLVKDONJSA-N 1 0 272.304 3.151 20 5 CGBDRO CCO[C@@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000155435558 346153458 /nfs/dbraw/zinc/15/34/58/346153458.db2.gz CELQSGZALZKLSL-SBJJXXPASA-N 1 0 290.363 3.109 20 5 CGBDRO CC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000168137807 346189718 /nfs/dbraw/zinc/18/97/18/346189718.db2.gz SEYSFLKUAZGBJA-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO CC(C)[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000231456073 346322806 /nfs/dbraw/zinc/32/28/06/346322806.db2.gz GSLJLNPAPCDRJS-UHFFFAOYSA-N 1 0 262.231 3.112 20 5 CGBDRO CC(C)(C)CC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000248296728 346374825 /nfs/dbraw/zinc/37/48/25/346374825.db2.gz XSEWRVLVFKCMSA-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000593589362 347092640 /nfs/dbraw/zinc/09/26/40/347092640.db2.gz QOMGTQMEZKTGKD-CYBMUJFWSA-N 1 0 280.368 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2CCC3)cc1 ZINC000593614147 347095572 /nfs/dbraw/zinc/09/55/72/347095572.db2.gz ZTBCXMJPUXVUJJ-UHFFFAOYSA-N 1 0 282.343 3.373 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000588977584 346779841 /nfs/dbraw/zinc/77/98/41/346779841.db2.gz CLXJIJICYIZXCX-CQSZACIVSA-N 1 0 290.363 3.096 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])s1 ZINC000589598939 346801822 /nfs/dbraw/zinc/80/18/22/346801822.db2.gz MJVYCOQBNVJUAZ-SNVBAGLBSA-N 1 0 271.386 3.189 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594042502 347143324 /nfs/dbraw/zinc/14/33/24/347143324.db2.gz JQRRUYZQOSGSPF-LSDHHAIUSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594489860 347176686 /nfs/dbraw/zinc/17/66/86/347176686.db2.gz GQHWRQIYXPUKAU-ABAIWWIYSA-N 1 0 283.331 3.328 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000594503134 347180805 /nfs/dbraw/zinc/18/08/05/347180805.db2.gz TYYGWEYUAGLZRZ-AAEUAGOBSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H]([NH2+]CCC(C)(C)F)c1ccc([N+](=O)[O-])cc1 ZINC000594731408 347214384 /nfs/dbraw/zinc/21/43/84/347214384.db2.gz SILINWWZJKZLBI-JTQLQIEISA-N 1 0 254.305 3.384 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000594961095 347242478 /nfs/dbraw/zinc/24/24/78/347242478.db2.gz FEHYKCYYGVTXBV-GMMCIKNFSA-N 1 0 290.363 3.155 20 5 CGBDRO Cc1noc(C[N@H+](CC2CC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000595303806 347289216 /nfs/dbraw/zinc/28/92/16/347289216.db2.gz BRTCAJIMEICIAP-UHFFFAOYSA-N 1 0 293.367 3.436 20 5 CGBDRO C[C@H](c1ccccn1)N(C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595391700 347297499 /nfs/dbraw/zinc/29/74/99/347297499.db2.gz NIGBQTMKVSZLLK-LLVKDONJSA-N 1 0 289.310 3.322 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595016114 347258129 /nfs/dbraw/zinc/25/81/29/347258129.db2.gz QHCQUJRDQLVJFU-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO CCOC1CCC([NH2+]CCc2cccc([N+](=O)[O-])c2)CC1 ZINC000595033234 347264149 /nfs/dbraw/zinc/26/41/49/347264149.db2.gz CJPNJPDPQGCYOF-UHFFFAOYSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000595047247 347268586 /nfs/dbraw/zinc/26/85/86/347268586.db2.gz CPTXDGZSTANWMC-BLLLJJGKSA-N 1 0 297.358 3.370 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595050555 347269556 /nfs/dbraw/zinc/26/95/56/347269556.db2.gz RXAQWQDQNMRPHC-IUODEOHRSA-N 1 0 290.363 3.129 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@H]1C ZINC000595051050 347269818 /nfs/dbraw/zinc/26/98/18/347269818.db2.gz RWDWCYDPZKRSSS-NRUUGDAUSA-N 1 0 264.325 3.053 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000595066479 347275976 /nfs/dbraw/zinc/27/59/76/347275976.db2.gz HRFHTQYWZGRPPX-SWLSCSKDSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000595080056 347278737 /nfs/dbraw/zinc/27/87/37/347278737.db2.gz IYXPBFUBQDPUJY-KBPBESRZSA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595763090 347352776 /nfs/dbraw/zinc/35/27/76/347352776.db2.gz NSKOTNWSRDBIOP-LLVKDONJSA-N 1 0 284.306 3.306 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000595765771 347353621 /nfs/dbraw/zinc/35/36/21/347353621.db2.gz NZFKCFDZINHDLG-GFCCVEGCSA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000595782404 347355400 /nfs/dbraw/zinc/35/54/00/347355400.db2.gz ZKMQDUNNFABOPG-AGIUHOORSA-N 1 0 278.352 3.155 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595483056 347310160 /nfs/dbraw/zinc/31/01/60/347310160.db2.gz FDWRHYCYOQDXPS-JSGCOSHPSA-N 1 0 298.383 3.498 20 5 CGBDRO CCC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)(C)C ZINC000595513976 347314392 /nfs/dbraw/zinc/31/43/92/347314392.db2.gz JJTWZCMEWRNMQT-NSHDSACASA-N 1 0 269.345 3.196 20 5 CGBDRO Cc1cc(NCC23CCC[NH+]2CCC3)c([N+](=O)[O-])s1 ZINC000596216852 347399611 /nfs/dbraw/zinc/39/96/11/347399611.db2.gz NDUCXKLVAPCAFE-UHFFFAOYSA-N 1 0 281.381 3.005 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000597059109 347532334 /nfs/dbraw/zinc/53/23/34/347532334.db2.gz FHAZTWJDFBLETM-CWRNSKLLSA-N 1 0 290.363 3.203 20 5 CGBDRO CC1CC(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000598676476 347678128 /nfs/dbraw/zinc/67/81/28/347678128.db2.gz IOMWLVIBTIGCMN-MGULZYLOSA-N 1 0 260.337 3.218 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000599054496 347711619 /nfs/dbraw/zinc/71/16/19/347711619.db2.gz ATYIWJGWDKAYLI-CHWSQXEVSA-N 1 0 278.352 3.062 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000599057918 347712277 /nfs/dbraw/zinc/71/22/77/347712277.db2.gz CSIOBISNPGQQJO-DOMZBBRYSA-N 1 0 280.368 3.451 20 5 CGBDRO CCO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000599354588 347739004 /nfs/dbraw/zinc/73/90/04/347739004.db2.gz QKUUBRUWMQJNSL-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@]1(C)CCCS1 ZINC000600110599 347780668 /nfs/dbraw/zinc/78/06/68/347780668.db2.gz AWGHQXXXKGXCEJ-AWEZNQCLSA-N 1 0 280.393 3.312 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000600214017 347794882 /nfs/dbraw/zinc/79/48/82/347794882.db2.gz KGBZFGWLVUONJW-OAHLLOKOSA-N 1 0 298.342 3.290 20 5 CGBDRO [NH3+]Cc1cccc2c1N(Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000600724025 347830191 /nfs/dbraw/zinc/83/01/91/347830191.db2.gz RYNSTUOVRCLHOO-UHFFFAOYSA-N 1 0 297.358 3.006 20 5 CGBDRO Cc1ccc(-c2cccc3c2C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000600791095 347836971 /nfs/dbraw/zinc/83/69/71/347836971.db2.gz PMXYLCGOXBBRAP-UHFFFAOYSA-N 1 0 268.316 3.216 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000601300286 347889761 /nfs/dbraw/zinc/88/97/61/347889761.db2.gz YELISTVZWMHROP-NWJSVONSSA-N 1 0 278.352 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@@H]2CCCCO2)cc1 ZINC000602614106 347994832 /nfs/dbraw/zinc/99/48/32/347994832.db2.gz CAYZFGNVLHROET-INIZCTEOSA-N 1 0 292.379 3.076 20 5 CGBDRO C[C@@H](CC1CCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602741275 348022252 /nfs/dbraw/zinc/02/22/52/348022252.db2.gz HOPRUJPKJAJKGK-JTQLQIEISA-N 1 0 289.335 3.404 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C)(F)CC1 ZINC000602992298 348053017 /nfs/dbraw/zinc/05/30/17/348053017.db2.gz JKGKYKZUNKBVLQ-NSHDSACASA-N 1 0 266.316 3.480 20 5 CGBDRO CC(C)CC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604013557 348106598 /nfs/dbraw/zinc/10/65/98/348106598.db2.gz PZCMGVCJYPPTLS-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO C[C@H]1CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604487462 348121703 /nfs/dbraw/zinc/12/17/03/348121703.db2.gz SQROCXNFOLLECH-AWEZNQCLSA-N 1 0 292.379 3.486 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609195421 348339390 /nfs/dbraw/zinc/33/93/90/348339390.db2.gz MNZXYEHHYINFGB-OAHLLOKOSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610517721 348387400 /nfs/dbraw/zinc/38/74/00/348387400.db2.gz KVIOOEPQJIBEKS-YVARQFDVSA-N 1 0 297.358 3.396 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)C[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000610832647 348405911 /nfs/dbraw/zinc/40/59/11/348405911.db2.gz WXWZFKVUYGJGBW-FPMFFAJLSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@H]1C ZINC000610582770 348391453 /nfs/dbraw/zinc/39/14/53/348391453.db2.gz YPPCQPVVZWQRQH-MNOVXSKESA-N 1 0 289.335 3.356 20 5 CGBDRO C[C@H]([N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000610619611 348392678 /nfs/dbraw/zinc/39/26/78/348392678.db2.gz ZGGLMCDAPPXLQZ-ZDUSSCGKSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCOC1 ZINC000610832268 348405066 /nfs/dbraw/zinc/40/50/66/348405066.db2.gz PGRUQFSYQWFDLY-HZSPNIEDSA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319651 348437875 /nfs/dbraw/zinc/43/78/75/348437875.db2.gz KBZDSEBTFDEKQU-GHMZBOCLSA-N 1 0 289.335 3.499 20 5 CGBDRO CC(C)(CC(F)(F)F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000614822427 348695384 /nfs/dbraw/zinc/69/53/84/348695384.db2.gz LCFGQTMBVMTLGV-UHFFFAOYSA-N 1 0 276.258 3.415 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCCc3cccnc32)c1 ZINC000619611585 349262942 /nfs/dbraw/zinc/26/29/42/349262942.db2.gz ZOPTTYUYBCMHGY-MRXNPFEDSA-N 1 0 297.358 3.200 20 5 CGBDRO CC1(C)SC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000619823343 349285869 /nfs/dbraw/zinc/28/58/69/349285869.db2.gz UXIGTPCEFUNWBF-UONOGXRCSA-N 1 0 292.404 3.456 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122830678 187054081 /nfs/dbraw/zinc/05/40/81/187054081.db2.gz RAJLZVCDTBNNJV-MWLCHTKSSA-N 1 0 295.770 3.285 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CCO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000123678257 187104473 /nfs/dbraw/zinc/10/44/73/187104473.db2.gz SPZKMEGBZWBDOI-CABCVRRESA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCCS1)c1cccc([N+](=O)[O-])c1 ZINC000149727478 187922849 /nfs/dbraw/zinc/92/28/49/187922849.db2.gz YIZAWWREBDLPMZ-MFKMUULPSA-N 1 0 266.366 3.141 20 5 CGBDRO Cc1c(C[N@H+](C)CCc2nccs2)cccc1[N+](=O)[O-] ZINC000157944611 188348447 /nfs/dbraw/zinc/34/84/47/188348447.db2.gz XEEQLNVGLPPOGC-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC[C@@H]2CCOC2)c(Cl)c1 ZINC000402253963 234952558 /nfs/dbraw/zinc/95/25/58/234952558.db2.gz FSOOAEXKBRGTCC-LLVKDONJSA-N 1 0 298.770 3.155 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000414291248 235380545 /nfs/dbraw/zinc/38/05/45/235380545.db2.gz XPNYQZCWVOBOAF-SAXRGWBVSA-N 1 0 292.379 3.367 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000414291246 235380927 /nfs/dbraw/zinc/38/09/27/235380927.db2.gz XPNYQZCWVOBOAF-PYJNHQTQSA-N 1 0 292.379 3.367 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424336679 236153101 /nfs/dbraw/zinc/15/31/01/236153101.db2.gz YGTBKCNPXREERD-BYCMXARLSA-N 1 0 274.364 3.304 20 5 CGBDRO C[C@@H](CCCCO)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000294927446 199253707 /nfs/dbraw/zinc/25/37/07/199253707.db2.gz BJSSYLNPOQFIMW-KBPBESRZSA-N 1 0 294.395 3.057 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000436405806 237097001 /nfs/dbraw/zinc/09/70/01/237097001.db2.gz FIHSJIOWSABNAF-DGCLKSJQSA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@H]([N@H+](C)CCOc1cccc([N+](=O)[O-])c1)C1(C)CC1 ZINC000437534867 237297555 /nfs/dbraw/zinc/29/75/55/237297555.db2.gz JMVGBULDEABMBM-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297227338 200120352 /nfs/dbraw/zinc/12/03/52/200120352.db2.gz HQPCKAHACBTHLL-SWLSCSKDSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)c1cccc([N+](=O)[O-])c1 ZINC000341886953 216139688 /nfs/dbraw/zinc/13/96/88/216139688.db2.gz YOSHUOGUYKMXLS-BPUTZDHNSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c([C@H](C)NCCC[NH+]2CCCC2)cccc1[N+](=O)[O-] ZINC000178413033 189114486 /nfs/dbraw/zinc/11/44/86/189114486.db2.gz GZOOFHOSIIVQSE-AWEZNQCLSA-N 1 0 291.395 3.040 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686546 189136981 /nfs/dbraw/zinc/13/69/81/189136981.db2.gz SZCKTXFIMSCKKG-NEPJUHHUSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCc2cccnc2)C2CC2)cc1 ZINC000179519688 189199215 /nfs/dbraw/zinc/19/92/15/189199215.db2.gz SSLJQYMXQLTNNN-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO Cn1cnc([N+](=O)[O-])c1C[NH+](CC(C)(C)C)CC(C)(C)C ZINC000342186642 216251809 /nfs/dbraw/zinc/25/18/09/216251809.db2.gz YQBARPFMVXCXGJ-UHFFFAOYSA-N 1 0 296.415 3.223 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H](CCO)C1CCCCC1 ZINC000181507541 189298334 /nfs/dbraw/zinc/29/83/34/189298334.db2.gz LAJKPMQNFJYRKM-HNNXBMFYSA-N 1 0 292.379 3.016 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1CCCOC1 ZINC000182158054 189315931 /nfs/dbraw/zinc/31/59/31/189315931.db2.gz LEKCKDAVPYWONX-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1 ZINC000449065227 239153937 /nfs/dbraw/zinc/15/39/37/239153937.db2.gz SOGRTPZNIYNDEN-CQSZACIVSA-N 1 0 284.359 3.358 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449149243 239205231 /nfs/dbraw/zinc/20/52/31/239205231.db2.gz MUGSMBZXDDMION-JGGQBBKZSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](F)C1 ZINC000449331802 239320123 /nfs/dbraw/zinc/32/01/23/239320123.db2.gz PJRWNULALVMEMF-RTXFEEFZSA-N 1 0 266.316 3.006 20 5 CGBDRO CCCC(O)(CCC)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000119716972 370700804 /nfs/dbraw/zinc/70/08/04/370700804.db2.gz VBSCMPBIARKTLN-UHFFFAOYSA-N 1 0 280.368 3.016 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@](C)(F)C1 ZINC000451122760 240223319 /nfs/dbraw/zinc/22/33/19/240223319.db2.gz SPXBIWBMJXQAQH-SMDDNHRTSA-N 1 0 266.316 3.480 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@](C)(F)C1 ZINC000451122759 240223415 /nfs/dbraw/zinc/22/34/15/240223415.db2.gz SPXBIWBMJXQAQH-RISCZKNCSA-N 1 0 266.316 3.480 20 5 CGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1CC(C)(C)C1 ZINC000459734555 242198199 /nfs/dbraw/zinc/19/81/99/242198199.db2.gz CWNXUOLPBDZOCE-UHFFFAOYSA-N 1 0 288.351 3.092 20 5 CGBDRO CO[C@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000462804530 242365022 /nfs/dbraw/zinc/36/50/22/242365022.db2.gz LLQAAKVCYBNVNI-MLGOLLRUSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]([NH2+][C@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000479550740 243110942 /nfs/dbraw/zinc/11/09/42/243110942.db2.gz BXQJJLDSKKNHBE-OCCSQVGLSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000481392157 243190882 /nfs/dbraw/zinc/19/08/82/243190882.db2.gz RZBKULRNWUVLIW-IUODEOHRSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483868692 243301844 /nfs/dbraw/zinc/30/18/44/243301844.db2.gz NLKAHPXBHPRGLX-KWCYVHTRSA-N 1 0 294.395 3.351 20 5 CGBDRO CCc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037668259 369099374 /nfs/dbraw/zinc/09/93/74/369099374.db2.gz DVFZAZWDSVRLRC-UHFFFAOYSA-N 1 0 270.332 3.447 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000330685672 203116738 /nfs/dbraw/zinc/11/67/38/203116738.db2.gz RREJTCXLLSPQNE-GFCCVEGCSA-N 1 0 280.393 3.313 20 5 CGBDRO CCC[C@H]([NH2+]C1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000538549839 288576889 /nfs/dbraw/zinc/57/68/89/288576889.db2.gz NKJNAONJBXNPFO-AWEZNQCLSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178658287 299401435 /nfs/dbraw/zinc/40/14/35/299401435.db2.gz DQPYROKXIPDSFJ-HPEDKQMDSA-N 1 0 290.363 3.059 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000494955974 244334865 /nfs/dbraw/zinc/33/48/65/244334865.db2.gz CXFMBYBRSGSASH-NRUUGDAUSA-N 1 0 282.771 3.425 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000494955972 244335585 /nfs/dbraw/zinc/33/55/85/244335585.db2.gz CXFMBYBRSGSASH-GBIKHYSHSA-N 1 0 282.771 3.425 20 5 CGBDRO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CCC[NH2+]C1 ZINC000050163626 369430922 /nfs/dbraw/zinc/43/09/22/369430922.db2.gz XUFUJUSZBUXOCK-NXEZZACHSA-N 1 0 283.759 3.048 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC[NH+](C3CCCC3)CC2)cc1 ZINC000059815623 369581814 /nfs/dbraw/zinc/58/18/14/369581814.db2.gz FLMRWMXFSGTJHC-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000070357862 369798323 /nfs/dbraw/zinc/79/83/23/369798323.db2.gz GNUZDPBAFRGJBP-WCQYABFASA-N 1 0 278.352 3.203 20 5 CGBDRO CCOC[C@H]1CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000072976880 369846377 /nfs/dbraw/zinc/84/63/77/369846377.db2.gz QKJCVNWISIWJTC-KBPBESRZSA-N 1 0 292.379 3.404 20 5 CGBDRO CCOCCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000090722676 370066827 /nfs/dbraw/zinc/06/68/27/370066827.db2.gz WEZIXAKJUOSUFS-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC2(CCC2)C1 ZINC000093455803 370133878 /nfs/dbraw/zinc/13/38/78/370133878.db2.gz PGARYVNZMRRYLF-ZZXKWVIFSA-N 1 0 272.348 3.484 20 5 CGBDRO C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000511713406 245001303 /nfs/dbraw/zinc/00/13/03/245001303.db2.gz QEIUENGSZMUEEF-MJBXVCDLSA-N 1 0 291.395 3.373 20 5 CGBDRO C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)CC1CCCC1 ZINC000331770022 204140154 /nfs/dbraw/zinc/14/01/54/204140154.db2.gz FFLKAZOSPVKSRL-UHFFFAOYSA-N 1 0 288.351 3.093 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1NCC[C@H]1CCC[NH2+]C1 ZINC000236048393 189832402 /nfs/dbraw/zinc/83/24/02/189832402.db2.gz VKYZHBDGNKLTQL-SNVBAGLBSA-N 1 0 283.759 3.050 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421849982 371672191 /nfs/dbraw/zinc/67/21/91/371672191.db2.gz CKKCCUOIPMAFQU-CORIIIEPSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000153274244 371758483 /nfs/dbraw/zinc/75/84/83/371758483.db2.gz UEKMDCPFEGDDDE-OKILXGFUSA-N 1 0 260.337 3.135 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CSC)cc1[N+](=O)[O-] ZINC000153882521 371796921 /nfs/dbraw/zinc/79/69/21/371796921.db2.gz GBWAIPCFYNOCLO-QWRGUYRKSA-N 1 0 298.408 3.396 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H](CC)OC)cc1[N+](=O)[O-] ZINC000290093436 371901213 /nfs/dbraw/zinc/90/12/13/371901213.db2.gz HNJBKROJRZDSOD-WCQYABFASA-N 1 0 296.367 3.069 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000290142307 371915085 /nfs/dbraw/zinc/91/50/85/371915085.db2.gz KRVZRIQWWBQRDJ-XUJVJEKNSA-N 1 0 280.368 3.449 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000428465370 372215316 /nfs/dbraw/zinc/21/53/16/372215316.db2.gz XCAPROAXORTLKK-FEGLDZKKSA-N 1 0 272.348 3.482 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000428452031 372205023 /nfs/dbraw/zinc/20/50/23/372205023.db2.gz IRQVDMVVROQQED-KBPBESRZSA-N 1 0 260.337 3.278 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CSC)cc1[N+](=O)[O-] ZINC000153882618 321729993 /nfs/dbraw/zinc/72/99/93/321729993.db2.gz GBWAIPCFYNOCLO-GHMZBOCLSA-N 1 0 298.408 3.396 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000429764269 372377598 /nfs/dbraw/zinc/37/75/98/372377598.db2.gz HUFJAYKZDJKMBN-MFKMUULPSA-N 1 0 266.316 3.402 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000162220074 372382020 /nfs/dbraw/zinc/38/20/20/372382020.db2.gz QWEPZISJZHHOIV-LRDDRELGSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]([NH2+]CC1CC(F)(F)C1)c1ccccc1[N+](=O)[O-] ZINC000293632583 372431663 /nfs/dbraw/zinc/43/16/63/372431663.db2.gz KHGNWCKHYJTOKB-SECBINFHSA-N 1 0 270.279 3.291 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000293682040 372449672 /nfs/dbraw/zinc/44/96/72/372449672.db2.gz KILPXVQPGXZZFR-HUUCEWRRSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@@]2(C)CCOC2)cc1[N+](=O)[O-] ZINC000344377002 217173643 /nfs/dbraw/zinc/17/36/43/217173643.db2.gz KDQSVFOBEGVRRO-MRXNPFEDSA-N 1 0 292.379 3.234 20 5 CGBDRO CC[N@H+](C)C[C@H]1CCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000432312957 372556654 /nfs/dbraw/zinc/55/66/54/372556654.db2.gz QMWPCPIBUBDUQX-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000168686645 372616817 /nfs/dbraw/zinc/61/68/17/372616817.db2.gz IJUBQPKQGHZJMN-NEPJUHHUSA-N 1 0 280.393 3.449 20 5 CGBDRO COCCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000172174278 372919360 /nfs/dbraw/zinc/91/93/60/372919360.db2.gz XLVOHIHKHZZHTE-UHFFFAOYSA-N 1 0 286.759 3.107 20 5 CGBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000438368635 372943784 /nfs/dbraw/zinc/94/37/84/372943784.db2.gz URGJXLXIGWIKOE-MRXNPFEDSA-N 1 0 292.379 3.016 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000441441620 373013136 /nfs/dbraw/zinc/01/31/36/373013136.db2.gz RWNIBKYCXQPRLK-DOMZBBRYSA-N 1 0 290.363 3.368 20 5 CGBDRO COC(C)(C)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344816174 217320599 /nfs/dbraw/zinc/32/05/99/217320599.db2.gz CDRUAHPVYCZYET-WQLSENKSSA-N 1 0 278.352 3.013 20 5 CGBDRO COCCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344823026 217323064 /nfs/dbraw/zinc/32/30/64/217323064.db2.gz KWCOYNAEQWMCIH-RAXLEYEMSA-N 1 0 278.352 3.014 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)no1 ZINC000344839450 217328155 /nfs/dbraw/zinc/32/81/55/217328155.db2.gz ZCHRGLNCFCBURP-IZZDOVSWSA-N 1 0 287.319 3.084 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCO1 ZINC000344849333 217333319 /nfs/dbraw/zinc/33/33/19/217333319.db2.gz KHKHSGOCCCJBAL-LRFDDAOPSA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000444867214 373283032 /nfs/dbraw/zinc/28/30/32/373283032.db2.gz DGVRIDMEYWAPIU-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO CC1(C)C[C@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582159 373457302 /nfs/dbraw/zinc/45/73/02/373457302.db2.gz YGKJTVLRIIYNMR-ZIAGYGMSSA-N 1 0 260.337 3.360 20 5 CGBDRO CCOC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000176307121 373580730 /nfs/dbraw/zinc/58/07/30/373580730.db2.gz SZKSRWJSRXEWPO-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1CCC1)C1CC1 ZINC000177773798 373709656 /nfs/dbraw/zinc/70/96/56/373709656.db2.gz YOIGPJNDMFEDNG-HNNXBMFYSA-N 1 0 274.364 3.306 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O ZINC000539083164 288603315 /nfs/dbraw/zinc/60/33/15/288603315.db2.gz XBVROTLPAPSISN-QWHCGFSZSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1 ZINC000449503111 373800865 /nfs/dbraw/zinc/80/08/65/373800865.db2.gz STRNKXSNBSQPJH-OAHLLOKOSA-N 1 0 297.358 3.369 20 5 CGBDRO CC(C)[C@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781028 373960381 /nfs/dbraw/zinc/96/03/81/373960381.db2.gz RPGVXSCDXVLVQV-CQSZACIVSA-N 1 0 297.786 3.025 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](CO)C2)cc1[N+](=O)[O-] ZINC000313708762 374304141 /nfs/dbraw/zinc/30/41/41/374304141.db2.gz DVUDHUXRUDJKHY-GUTXKFCHSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314499428 374319026 /nfs/dbraw/zinc/31/90/26/374319026.db2.gz RMCLDKFNJPIQMN-MJBXVCDLSA-N 1 0 292.379 3.044 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](OCC(C)C)C1 ZINC000183392905 374410049 /nfs/dbraw/zinc/41/00/49/374410049.db2.gz DGVBPSTVCRUQSM-MRXNPFEDSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCc1ccccc1 ZINC000183422318 374412396 /nfs/dbraw/zinc/41/23/96/374412396.db2.gz FJIRZVSKPMHEOH-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332218452 374559919 /nfs/dbraw/zinc/55/99/19/374559919.db2.gz IKPYWSRBPJTDBF-LLVKDONJSA-N 1 0 288.351 3.093 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185189383 374605055 /nfs/dbraw/zinc/60/50/55/374605055.db2.gz MQIDGEIDHMWTRW-JKSUJKDBSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000464770623 374897471 /nfs/dbraw/zinc/89/74/71/374897471.db2.gz CGDOFWNOMXZJJH-INIZCTEOSA-N 1 0 292.379 3.486 20 5 CGBDRO COC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CCCCC1 ZINC000187449931 375023917 /nfs/dbraw/zinc/02/39/17/375023917.db2.gz FWWQXGRMXQJSTJ-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC[C@H](C)O1 ZINC000190428577 375509285 /nfs/dbraw/zinc/50/92/85/375509285.db2.gz YYTLDUSHHVAZLI-XJKSGUPXSA-N 1 0 292.379 3.373 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccnn1C)c1cccc([N+](=O)[O-])c1 ZINC000192933995 375804604 /nfs/dbraw/zinc/80/46/04/375804604.db2.gz HEQZMCMCYAAORO-SMDDNHRTSA-N 1 0 288.351 3.130 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000222135816 376229627 /nfs/dbraw/zinc/22/96/27/376229627.db2.gz TVWIWWPLLRTHQL-CMPLNLGQSA-N 1 0 266.366 3.059 20 5 CGBDRO Cc1c(C[NH2+]C2Cc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000228319341 376434280 /nfs/dbraw/zinc/43/42/80/376434280.db2.gz PRZITCWXGOZMHQ-UHFFFAOYSA-N 1 0 282.343 3.160 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000541389486 376445606 /nfs/dbraw/zinc/44/56/06/376445606.db2.gz KYALGXSUSBVSGR-ZDUSSCGKSA-N 1 0 292.379 3.471 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C(C)C)C1 ZINC000542701215 376569360 /nfs/dbraw/zinc/56/93/60/376569360.db2.gz ZUTIKCKVSWNWNC-CYBMUJFWSA-N 1 0 262.353 3.381 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000231884282 376575148 /nfs/dbraw/zinc/57/51/48/376575148.db2.gz QFOWECWXCJSKBY-ZBFHGGJFSA-N 1 0 292.379 3.196 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@@H+]1Cc1cc([O-])ccc1[N+](=O)[O-] ZINC000338942302 376588389 /nfs/dbraw/zinc/58/83/89/376588389.db2.gz KQKIQLCEQMDKFS-ZDUSSCGKSA-N 1 0 278.352 3.311 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@@H]1C ZINC000339004463 376622771 /nfs/dbraw/zinc/62/27/71/376622771.db2.gz WVVBUFXMFPLKCC-QWHCGFSZSA-N 1 0 277.368 3.270 20 5 CGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000543247160 376623019 /nfs/dbraw/zinc/62/30/19/376623019.db2.gz AIJWPPOHRWJYKJ-CYBMUJFWSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000543856894 376685076 /nfs/dbraw/zinc/68/50/76/376685076.db2.gz OOVZCSPXIZXNAM-NXEZZACHSA-N 1 0 268.744 3.336 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1CF ZINC000556950002 376911489 /nfs/dbraw/zinc/91/14/89/376911489.db2.gz LRKKNGDXIBMVNN-INDWDQIESA-N 1 0 278.327 3.432 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245884971 376924997 /nfs/dbraw/zinc/92/49/97/376924997.db2.gz ISWIYKCYGWTBAC-NWDGAFQWSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]1F)c1cccc([N+](=O)[O-])c1 ZINC000340520988 377117126 /nfs/dbraw/zinc/11/71/26/377117126.db2.gz AMSVNTOYLUHEQX-TVYUQYBPSA-N 1 0 252.289 3.136 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1cc[nH]c(=O)c1)c1cccc([N+](=O)[O-])c1 ZINC000340447350 377065650 /nfs/dbraw/zinc/06/56/50/377065650.db2.gz UIMVJXFJAJASCM-GHMZBOCLSA-N 1 0 287.319 3.107 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]2F)cccc1[N+](=O)[O-] ZINC000559913200 377107999 /nfs/dbraw/zinc/10/79/99/377107999.db2.gz GSSQEZBOKRUNSI-UHTWSYAYSA-N 1 0 266.316 3.444 20 5 CGBDRO CCCC[NH+]1CCC(Nc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000561134130 377208047 /nfs/dbraw/zinc/20/80/47/377208047.db2.gz SXBUJYSSTCOEBS-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO CC1(C)CC(Nc2c(F)cccc2[N+](=O)[O-])CC(C)(C)[NH2+]1 ZINC000561104157 377206785 /nfs/dbraw/zinc/20/67/85/377206785.db2.gz XRIJEXDOKUSSPK-UHFFFAOYSA-N 1 0 295.358 3.455 20 5 CGBDRO CCN1CCCC[C@@H]1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000248184223 377277030 /nfs/dbraw/zinc/27/70/30/377277030.db2.gz XATXJABEOLYQLL-CZUORRHYSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccc([N+](=O)[O-])cc1 ZINC000341126233 377409124 /nfs/dbraw/zinc/40/91/24/377409124.db2.gz NOPQITGCDWBBPV-CHWSQXEVSA-N 1 0 277.368 3.270 20 5 CGBDRO C[C@H]([NH2+]CC1(O)CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000087088708 249020957 /nfs/dbraw/zinc/02/09/57/249020957.db2.gz ZKSQEYZMGTWUDU-ZDUSSCGKSA-N 1 0 292.379 3.331 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)nc1C ZINC000313873717 249093166 /nfs/dbraw/zinc/09/31/66/249093166.db2.gz AKBSCZJEWBYABK-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000341474134 377581539 /nfs/dbraw/zinc/58/15/39/377581539.db2.gz BGCHRIACVHQKIB-SECBINFHSA-N 1 0 254.717 3.090 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000515544127 249215337 /nfs/dbraw/zinc/21/53/37/249215337.db2.gz BOEPZBZZUOKMMM-ZDUSSCGKSA-N 1 0 278.352 3.238 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000343006515 377880453 /nfs/dbraw/zinc/88/04/53/377880453.db2.gz BWZGZTKZVJVGBJ-HNNXBMFYSA-N 1 0 290.363 3.368 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]1C(C)C ZINC000342862692 377843777 /nfs/dbraw/zinc/84/37/77/377843777.db2.gz UQLISEGXMAHGHW-AWEZNQCLSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000343680740 378064532 /nfs/dbraw/zinc/06/45/32/378064532.db2.gz PXOLJRBSFGTZJY-GTBONMDNSA-N 1 0 290.363 3.109 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000270707578 378391669 /nfs/dbraw/zinc/39/16/69/378391669.db2.gz ZNBMRRZEJXOICZ-RYUDHWBXSA-N 1 0 298.408 3.340 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000271961619 378530032 /nfs/dbraw/zinc/53/00/32/378530032.db2.gz RGTLWKYMHWQNAL-ZOWXZIJZSA-N 1 0 278.352 3.203 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC2(CCC2)C1 ZINC000348195189 378833952 /nfs/dbraw/zinc/83/39/52/378833952.db2.gz VVUMEPMOFOYXLJ-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1CCC[C@H]([NH+](C)C)CC1 ZINC000277214447 379099372 /nfs/dbraw/zinc/09/93/72/379099372.db2.gz NOGOBPLFBXQMSD-KBPBESRZSA-N 1 0 291.395 3.072 20 5 CGBDRO Cc1nc(F)ccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278275959 379332165 /nfs/dbraw/zinc/33/21/65/379332165.db2.gz ALNPFOQDLWLKBN-JTQLQIEISA-N 1 0 289.310 3.288 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](c3ccco3)C2)cc1 ZINC000374007294 379363151 /nfs/dbraw/zinc/36/31/51/379363151.db2.gz DYCFSTRHGBRSTK-AWEZNQCLSA-N 1 0 286.331 3.220 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCCO1 ZINC000266680351 190274818 /nfs/dbraw/zinc/27/48/18/190274818.db2.gz AFTUPMIWWCEGOM-QWHCGFSZSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[N@H+](C)C[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000279466714 379440818 /nfs/dbraw/zinc/44/08/18/379440818.db2.gz MLMDOZOWWHONRX-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCc2ccccc2C1 ZINC000349833476 379410903 /nfs/dbraw/zinc/41/09/03/379410903.db2.gz LOARSFISWDXWTG-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO CC(C)[NH+]1CCC(N(C)c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000267169221 190308306 /nfs/dbraw/zinc/30/83/06/190308306.db2.gz BTIPDEKBLXKJJG-UHFFFAOYSA-N 1 0 295.358 3.043 20 5 CGBDRO COc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352416723 379806019 /nfs/dbraw/zinc/80/60/19/379806019.db2.gz JBTKMIGQCLAARK-TXEJJXNPSA-N 1 0 278.352 3.366 20 5 CGBDRO COc1cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000352416722 379806762 /nfs/dbraw/zinc/80/67/62/379806762.db2.gz JBTKMIGQCLAARK-RYUDHWBXSA-N 1 0 278.352 3.366 20 5 CGBDRO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000378345006 379806994 /nfs/dbraw/zinc/80/69/94/379806994.db2.gz GDJZTOINQLURFB-VMPITWQZSA-N 1 0 290.363 3.109 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC12CCC2 ZINC000282343897 379902608 /nfs/dbraw/zinc/90/26/08/379902608.db2.gz VKEQYPRBMFADGG-CQSZACIVSA-N 1 0 276.336 3.026 20 5 CGBDRO CC(C)[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)C(C)C ZINC000283216671 380047946 /nfs/dbraw/zinc/04/79/46/380047946.db2.gz SKOGOZLUSDYIRT-UHFFFAOYSA-N 1 0 254.305 3.353 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2n[nH]cc2c1 ZINC000353221642 380175559 /nfs/dbraw/zinc/17/55/59/380175559.db2.gz ZEMZJBBZFUSKMM-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO CC[C@H]([NH2+]CC[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000268804560 190435089 /nfs/dbraw/zinc/43/50/89/190435089.db2.gz BLJUIGDLFUZKIE-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO CC[NH2+]Cc1cccc(NCc2cccc([N+](=O)[O-])c2)c1 ZINC000414861516 380460880 /nfs/dbraw/zinc/46/08/80/380460880.db2.gz FKXKPQHCZORZKX-UHFFFAOYSA-N 1 0 285.347 3.316 20 5 CGBDRO CO[C@@H](C)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417345793 380602150 /nfs/dbraw/zinc/60/21/50/380602150.db2.gz UXAVINIILYYJHN-LRDDRELGSA-N 1 0 292.379 3.377 20 5 CGBDRO CCOC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000355182513 380613199 /nfs/dbraw/zinc/61/31/99/380613199.db2.gz VFPLSXSBSWAWMU-CABCVRRESA-N 1 0 292.379 3.198 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417378896 380614677 /nfs/dbraw/zinc/61/46/77/380614677.db2.gz TUQCSOQWTCTEDY-UKRRQHHQSA-N 1 0 294.395 3.177 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)COC ZINC000358299661 381301818 /nfs/dbraw/zinc/30/18/18/381301818.db2.gz OMHSBYRWZGNZJM-VXGBXAGGSA-N 1 0 298.408 3.090 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000360614574 381594513 /nfs/dbraw/zinc/59/45/13/381594513.db2.gz SVGOIEIRCMVMSK-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362327955 381942458 /nfs/dbraw/zinc/94/24/58/381942458.db2.gz ZQCOGEHZRFZKBQ-UHFFFAOYSA-N 1 0 284.331 3.363 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000363672649 382245562 /nfs/dbraw/zinc/24/55/62/382245562.db2.gz KGEBBZHUWDPQNR-HIFRSBDPSA-N 1 0 292.379 3.465 20 5 CGBDRO Cn1cccc1C[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353775327 220321720 /nfs/dbraw/zinc/32/17/20/220321720.db2.gz MEJXEQGFOJKMMY-YVMONPNESA-N 1 0 285.347 3.079 20 5 CGBDRO CO[C@@H](C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000353777571 220324625 /nfs/dbraw/zinc/32/46/25/220324625.db2.gz BRHRGHJRWLCFKP-KGXGESDWSA-N 1 0 292.379 3.353 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC(F)(F)C2)c(F)c1 ZINC000350312141 219007696 /nfs/dbraw/zinc/00/76/96/219007696.db2.gz NMSUIQYSURVVHW-JTQLQIEISA-N 1 0 288.269 3.401 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCCO1)CCC2 ZINC000278274458 285143960 /nfs/dbraw/zinc/14/39/60/285143960.db2.gz PKDVNMKUDWAFGV-HOCLYGCPSA-N 1 0 290.363 3.131 20 5 CGBDRO COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CCC1 ZINC000282937223 195750187 /nfs/dbraw/zinc/75/01/87/195750187.db2.gz YRZDASOANAXUFX-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H]1C ZINC000513041999 533409817 /nfs/dbraw/zinc/40/98/17/533409817.db2.gz USVQEGHZCKXFEG-QBGAIBADSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1cnccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000228661060 130872659 /nfs/dbraw/zinc/87/26/59/130872659.db2.gz MMWXKAKGSFZSJK-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCC1 ZINC000282033885 392274689 /nfs/dbraw/zinc/27/46/89/392274689.db2.gz OGYHPETVKXZZLF-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000282059709 392278706 /nfs/dbraw/zinc/27/87/06/392278706.db2.gz MNQCYQAKMWHIEC-JOYOIKCWSA-N 1 0 282.315 3.021 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CCN(C)[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000361772501 392320536 /nfs/dbraw/zinc/32/05/36/392320536.db2.gz NFQOKFXLVJVZPG-KWCYVHTRSA-N 1 0 291.395 3.037 20 5 CGBDRO CCOC[C@@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247020350 131098808 /nfs/dbraw/zinc/09/88/08/131098808.db2.gz QKJCVNWISIWJTC-ZIAGYGMSSA-N 1 0 292.379 3.404 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000286041957 392367934 /nfs/dbraw/zinc/36/79/34/392367934.db2.gz IKOYNKNQSXVVPB-KBPBESRZSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000158468349 392567197 /nfs/dbraw/zinc/56/71/97/392567197.db2.gz OGMUWTGYCXFTNB-UWVGGRQHSA-N 1 0 283.759 3.143 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000332071363 392697219 /nfs/dbraw/zinc/69/72/19/392697219.db2.gz VROGFCDZFVSFSO-HCKVZZMMSA-N 1 0 292.404 3.456 20 5 CGBDRO C[C@@H]1CCC[C@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000525640070 392944555 /nfs/dbraw/zinc/94/45/55/392944555.db2.gz NXQDHPCRDZHERJ-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1cc(N)cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000414960413 393066784 /nfs/dbraw/zinc/06/67/84/393066784.db2.gz GRHYSSOCDTWAIX-UHFFFAOYSA-N 1 0 285.347 3.084 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247078610 393071374 /nfs/dbraw/zinc/07/13/74/393071374.db2.gz SRMXAAKPZCXLKU-VNQPRFMTSA-N 1 0 292.379 3.187 20 5 CGBDRO COCCSCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278843818 393327719 /nfs/dbraw/zinc/32/77/19/393327719.db2.gz LHIGLFFCSOWDJI-LBPRGKRZSA-N 1 0 298.408 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000356304621 393416859 /nfs/dbraw/zinc/41/68/59/393416859.db2.gz JNNYOTPDHNQGPK-BVUKWYMNSA-N 1 0 290.363 3.013 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000429563024 393480273 /nfs/dbraw/zinc/48/02/73/393480273.db2.gz AWJZRBMFSGCNKL-JQWIXIFHSA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@H](CC[NH3+])Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420228337 393440620 /nfs/dbraw/zinc/44/06/20/393440620.db2.gz QXFOYXWMDVEFSO-ZCFIWIBFSA-N 1 0 278.139 3.051 20 5 CGBDRO Cc1cccc2c1C[N@H+](Cc1ccccc1[N+](=O)[O-])CC2 ZINC000429567295 393481457 /nfs/dbraw/zinc/48/14/57/393481457.db2.gz XAJACPVOWBZIEA-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc(N)c1)c1cccc([N+](=O)[O-])c1 ZINC000420410735 393484998 /nfs/dbraw/zinc/48/49/98/393484998.db2.gz RHTPITBGTQLLLN-MRXNPFEDSA-N 1 0 285.347 3.418 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H]2CC[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000429582172 393487656 /nfs/dbraw/zinc/48/76/56/393487656.db2.gz ZVDPPTDTYQXJGJ-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H](C)CCSC ZINC000430207550 393539772 /nfs/dbraw/zinc/53/97/72/393539772.db2.gz RCEDGECMCPJXDT-NSHDSACASA-N 1 0 298.408 3.177 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]([C@@H](C)C1CC1)C1CC1 ZINC000430210682 393539800 /nfs/dbraw/zinc/53/98/00/393539800.db2.gz VBAYUEHHRPUHKJ-NSHDSACASA-N 1 0 290.363 3.366 20 5 CGBDRO CC1=C[C@H](C)C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000430266615 393552842 /nfs/dbraw/zinc/55/28/42/393552842.db2.gz DEDYKOFQNHYVLY-ZDUSSCGKSA-N 1 0 290.363 3.262 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430284855 393558575 /nfs/dbraw/zinc/55/85/75/393558575.db2.gz POJDIKZABKEXKL-NSHDSACASA-N 1 0 276.336 3.001 20 5 CGBDRO CC1=C[C@H](C)CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000430271458 393554439 /nfs/dbraw/zinc/55/44/39/393554439.db2.gz XXXMTQFBAXOSHT-JTQLQIEISA-N 1 0 264.300 3.132 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCOC[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000359869494 393556993 /nfs/dbraw/zinc/55/69/93/393556993.db2.gz IMGXBONLNIIJRA-ZDUSSCGKSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@H](NCC1([NH3+])CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423185004 393653833 /nfs/dbraw/zinc/65/38/33/393653833.db2.gz UKUQZERRAURAPQ-HNNXBMFYSA-N 1 0 291.395 3.297 20 5 CGBDRO CC[C@@H](N[C@@H](C[NH3+])CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263742 393657288 /nfs/dbraw/zinc/65/72/88/393657288.db2.gz OUWQXTUPCOKTSK-UKRRQHHQSA-N 1 0 279.384 3.009 20 5 CGBDRO CO[C@@](C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000361147195 393684353 /nfs/dbraw/zinc/68/43/53/393684353.db2.gz RTYPYJXJQBJRHZ-WRLNGNIRSA-N 1 0 290.363 3.013 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCOC(C)(C)C2)cc1[N+](=O)[O-] ZINC000453586724 394251702 /nfs/dbraw/zinc/25/17/02/394251702.db2.gz VQHUQKRLBIDNJE-AWEZNQCLSA-N 1 0 292.379 3.198 20 5 CGBDRO CC(C)[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CCS1 ZINC000076064637 165110979 /nfs/dbraw/zinc/11/09/79/165110979.db2.gz ARKHAZWTVOKNHO-CQSZACIVSA-N 1 0 280.393 3.168 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000091100019 165257858 /nfs/dbraw/zinc/25/78/58/165257858.db2.gz ULQHSGTYITUGCP-LBPRGKRZSA-N 1 0 268.382 3.168 20 5 CGBDRO Cc1cc(NCCC2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000092631859 165306748 /nfs/dbraw/zinc/30/67/48/165306748.db2.gz NPNIYZZLGVRFOQ-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000094659473 287122304 /nfs/dbraw/zinc/12/23/04/287122304.db2.gz MPFPUAGGOSMKJG-CYBMUJFWSA-N 1 0 277.368 3.045 20 5 CGBDRO CCOc1cc(N[C@@H](C)C[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000111049267 287132875 /nfs/dbraw/zinc/13/28/75/287132875.db2.gz UPVHHGUUPWWKMH-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](O)C2)cc1[N+](=O)[O-] ZINC000224054716 165754766 /nfs/dbraw/zinc/75/47/66/165754766.db2.gz OAMVZRYWXXAJTM-KCQAQPDRSA-N 1 0 292.379 3.105 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000119602624 287171831 /nfs/dbraw/zinc/17/18/31/287171831.db2.gz VIYWIZNHRNHMAO-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO CCC[NH+]1CCC(N[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020190162 171056397 /nfs/dbraw/zinc/05/63/97/171056397.db2.gz BBCRLGQDOSMLFS-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3occc32)c1 ZINC000020204966 171070095 /nfs/dbraw/zinc/07/00/95/171070095.db2.gz VCUJIFQBQAHLJO-CQSZACIVSA-N 1 0 272.304 3.355 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1)c1ccccc1[N+](=O)[O-] ZINC000020525926 171239136 /nfs/dbraw/zinc/23/91/36/171239136.db2.gz LDABGFIQEDQHQV-GFCCVEGCSA-N 1 0 256.305 3.446 20 5 CGBDRO C[NH+](C)Cc1cccc(NCc2ccc([N+](=O)[O-])cc2)c1 ZINC000036979473 172846294 /nfs/dbraw/zinc/84/62/94/172846294.db2.gz UQFPEQPLKWMNQF-UHFFFAOYSA-N 1 0 285.347 3.269 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000038097737 174111661 /nfs/dbraw/zinc/11/16/61/174111661.db2.gz BFLANHOOSAPAKO-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO CC[NH+]1CCC(N[C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000038098010 174111789 /nfs/dbraw/zinc/11/17/89/174111789.db2.gz OJCUOIOSZFGUGM-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675943 174373208 /nfs/dbraw/zinc/37/32/08/174373208.db2.gz OSDVOFOHPSYOFC-NEPJUHHUSA-N 1 0 250.342 3.162 20 5 CGBDRO CSCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000130233106 287348538 /nfs/dbraw/zinc/34/85/38/287348538.db2.gz SANRFANYEXHKTE-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO CCC[C@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675933 270029947 /nfs/dbraw/zinc/02/99/47/270029947.db2.gz LEZJDFAZAFYLPN-LBPRGKRZSA-N 1 0 250.342 3.163 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000041677499 270031517 /nfs/dbraw/zinc/03/15/17/270031517.db2.gz RROGHGSBVSJVDL-JTQLQIEISA-N 1 0 285.775 3.390 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000042276719 270031967 /nfs/dbraw/zinc/03/19/67/270031967.db2.gz VXQFYXHRNSPMCX-LLVKDONJSA-N 1 0 297.786 3.390 20 5 CGBDRO Cc1ccoc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519180645 265358398 /nfs/dbraw/zinc/35/83/98/265358398.db2.gz ZIMVPGIEVMXZTB-ZDUSSCGKSA-N 1 0 272.304 3.273 20 5 CGBDRO CC[NH+]1CCC(CNc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000218841995 270085512 /nfs/dbraw/zinc/08/55/12/270085512.db2.gz JEHYXXFMVLCICS-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CC(F)(F)C1)CCC2 ZINC000278623956 270091504 /nfs/dbraw/zinc/09/15/04/270091504.db2.gz GJWVUHFTHNBTEG-CYBMUJFWSA-N 1 0 282.290 3.360 20 5 CGBDRO CC1(C)C[C@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015059 270103740 /nfs/dbraw/zinc/10/37/40/270103740.db2.gz VMSOFBZPWWDYDV-GWCFXTLKSA-N 1 0 260.337 3.218 20 5 CGBDRO CC(C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000525308727 270119115 /nfs/dbraw/zinc/11/91/15/270119115.db2.gz VOVDBXZGGWSYTJ-AWEZNQCLSA-N 1 0 262.353 3.463 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582156 273587975 /nfs/dbraw/zinc/58/79/75/273587975.db2.gz YGKJTVLRIIYNMR-KBPBESRZSA-N 1 0 260.337 3.360 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000337263591 275971308 /nfs/dbraw/zinc/97/13/08/275971308.db2.gz RMOXYZYTWITWEZ-RYUDHWBXSA-N 1 0 266.341 3.059 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000447073230 276225698 /nfs/dbraw/zinc/22/56/98/276225698.db2.gz SNBYMYDLCHPCSN-KBPBESRZSA-N 1 0 291.395 3.212 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000301542178 276225877 /nfs/dbraw/zinc/22/58/77/276225877.db2.gz CPEZNIUOHIJIAQ-KBPBESRZSA-N 1 0 291.395 3.070 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)COC ZINC000358299658 276527933 /nfs/dbraw/zinc/52/79/33/276527933.db2.gz OMHSBYRWZGNZJM-NEPJUHHUSA-N 1 0 298.408 3.090 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000394875419 288004424 /nfs/dbraw/zinc/00/44/24/288004424.db2.gz WFPYXMRPEDAFTL-OAHLLOKOSA-N 1 0 274.364 3.450 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)[C@@H]1CC1(C)C ZINC000397631500 288025669 /nfs/dbraw/zinc/02/56/69/288025669.db2.gz USGFWKZWDQWWBB-GWCFXTLKSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@@H]([NH2+]CCC(C)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000294171060 278343115 /nfs/dbraw/zinc/34/31/15/278343115.db2.gz JHHYHUWIWBCGTF-SECBINFHSA-N 1 0 258.268 3.291 20 5 CGBDRO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1ccc([N+](=O)[O-])cc1 ZINC000507248891 278359703 /nfs/dbraw/zinc/35/97/03/278359703.db2.gz YMBROZFKYRPWSW-GFCCVEGCSA-N 1 0 296.330 3.093 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037177046 278379469 /nfs/dbraw/zinc/37/94/69/278379469.db2.gz FJEHKZXOCBWMSK-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000399562052 288052452 /nfs/dbraw/zinc/05/24/52/288052452.db2.gz LWNDTSBUTZOTRE-ZYHUDNBSSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H](CSC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449205263 288072834 /nfs/dbraw/zinc/07/28/34/288072834.db2.gz NTUGZXYYKARPTR-AAEUAGOBSA-N 1 0 282.409 3.257 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(C)C ZINC000414289748 288081740 /nfs/dbraw/zinc/08/17/40/288081740.db2.gz ICIKDLVBLNVTTB-UGFHNGPFSA-N 1 0 280.368 3.041 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000453415237 279275071 /nfs/dbraw/zinc/27/50/71/279275071.db2.gz UCPKVXNBIHPXTO-UMVBOHGHSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000459778483 279536933 /nfs/dbraw/zinc/53/69/33/279536933.db2.gz LSUOAQIJAUYYPV-FDEJFUCISA-N 1 0 260.337 3.434 20 5 CGBDRO CCC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000521888731 288142487 /nfs/dbraw/zinc/14/24/87/288142487.db2.gz KSAJMUJDIWLVSU-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@H]1Oc2ccccc2[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000288492510 280086895 /nfs/dbraw/zinc/08/68/95/280086895.db2.gz HHZFDBJVHQUZKH-BZNIZROVSA-N 1 0 284.315 3.207 20 5 CGBDRO C[C@]1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CCCO1 ZINC000192945775 280158738 /nfs/dbraw/zinc/15/87/38/280158738.db2.gz KUYGIEHLNPFMCE-HZPDHXFCSA-N 1 0 290.363 3.131 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000540395225 288654683 /nfs/dbraw/zinc/65/46/83/288654683.db2.gz RPSMBWQVCBBYDI-IUODEOHRSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH2+]C3(C4CC4)CC3)co2)cc1 ZINC000544414328 288847484 /nfs/dbraw/zinc/84/74/84/288847484.db2.gz UJQXUIKVDQQAGO-UHFFFAOYSA-N 1 0 299.330 3.282 20 5 CGBDRO CC[C@@H](C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)OC ZINC000562909836 289741928 /nfs/dbraw/zinc/74/19/28/289741928.db2.gz SAGJBEGKFMLMJW-SWLSCSKDSA-N 1 0 292.379 3.332 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000388268624 327863509 /nfs/dbraw/zinc/86/35/09/327863509.db2.gz GHTVIGLSXISWDM-OZVIIMIRSA-N 1 0 292.379 3.367 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccccc1O ZINC000565843870 322094149 /nfs/dbraw/zinc/09/41/49/322094149.db2.gz PNDALBLWVFXHFD-OAHLLOKOSA-N 1 0 298.342 3.120 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)N[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565923468 322097048 /nfs/dbraw/zinc/09/70/48/322097048.db2.gz RAPQCLRNRYWLBS-ZIAGYGMSSA-N 1 0 293.411 3.366 20 5 CGBDRO CC[C@H](NCCC[NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566088412 322103533 /nfs/dbraw/zinc/10/35/33/322103533.db2.gz MATJWARZIRBJRT-HNNXBMFYSA-N 1 0 279.384 3.024 20 5 CGBDRO CCC[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000566996823 322146122 /nfs/dbraw/zinc/14/61/22/322146122.db2.gz NIPMTGVNGWSINJ-LLVKDONJSA-N 1 0 275.352 3.397 20 5 CGBDRO CC(C)SCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000569000105 322230779 /nfs/dbraw/zinc/23/07/79/322230779.db2.gz BPAWUFFFRPSKRC-ZDUSSCGKSA-N 1 0 280.393 3.313 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCc1ccccn1 ZINC000569137619 322236527 /nfs/dbraw/zinc/23/65/27/322236527.db2.gz FWEPYWRAYCCOSN-MRXNPFEDSA-N 1 0 297.358 3.200 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572900132 322360777 /nfs/dbraw/zinc/36/07/77/322360777.db2.gz WNNMUHJKGRULNI-SMDDNHRTSA-N 1 0 292.379 3.375 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000573107511 322370865 /nfs/dbraw/zinc/37/08/65/322370865.db2.gz WNOOMBWDHWRQOT-INIZCTEOSA-N 1 0 297.358 3.118 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](F)C1 ZINC000573443823 322388173 /nfs/dbraw/zinc/38/81/73/322388173.db2.gz BHYWEGPLXFKLIL-STQMWFEESA-N 1 0 296.342 3.364 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCC2(C)C)c([N+](=O)[O-])cc1F ZINC000574287734 322433166 /nfs/dbraw/zinc/43/31/66/322433166.db2.gz IZOPKRVBOGNUAB-CYBMUJFWSA-N 1 0 282.315 3.021 20 5 CGBDRO CCC[C@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000381202052 336054776 /nfs/dbraw/zinc/05/47/76/336054776.db2.gz KPGWTAPYXQROHB-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000383754391 336117532 /nfs/dbraw/zinc/11/75/32/336117532.db2.gz IZLQNQHFZSSYFK-LBPRGKRZSA-N 1 0 280.368 3.308 20 5 CGBDRO CC(C)C[C@@H]1C[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000385840236 336157896 /nfs/dbraw/zinc/15/78/96/336157896.db2.gz NLNLDUCSNDGOCE-GHMZBOCLSA-N 1 0 254.355 3.181 20 5 CGBDRO CS[C@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000425369080 534117400 /nfs/dbraw/zinc/11/74/00/534117400.db2.gz LCKXEUSFKVAIFF-BIMULSAOSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cc1[N+](=O)[O-] ZINC000188020363 525749550 /nfs/dbraw/zinc/74/95/50/525749550.db2.gz YQBQBAPOMSYCET-NFAWXSAZSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CC12CC2)C1CC1 ZINC000424330699 534887927 /nfs/dbraw/zinc/88/79/27/534887927.db2.gz UNZUHTZCEHSTCF-HIFRSBDPSA-N 1 0 272.348 3.058 20 5 CGBDRO CC(C)([NH2+]CCc1cncs1)c1ccccc1[N+](=O)[O-] ZINC000411752742 527292070 /nfs/dbraw/zinc/29/20/70/527292070.db2.gz BLJVOPTVXRQSSR-UHFFFAOYSA-N 1 0 291.376 3.119 20 5 CGBDRO CC(C)([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000411762173 527293562 /nfs/dbraw/zinc/29/35/62/527293562.db2.gz WPQFXNZMMZPTEQ-GFCCVEGCSA-N 1 0 292.379 3.377 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414227769 527719111 /nfs/dbraw/zinc/71/91/11/527719111.db2.gz XNPPIKNXCIPZQA-HIFRSBDPSA-N 1 0 274.364 3.304 20 5 CGBDRO CCCC1CCC([N@H+](C)CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000362156471 528070374 /nfs/dbraw/zinc/07/03/74/528070374.db2.gz NFIIZJTYKXKPAZ-UHFFFAOYSA-N 1 0 294.399 3.082 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC2=CCOCC2)cc1[N+](=O)[O-] ZINC000449403299 528100734 /nfs/dbraw/zinc/10/07/34/528100734.db2.gz PJQAKNITDUTNCH-UHFFFAOYSA-N 1 0 290.363 3.155 20 5 CGBDRO CCC[C@@H](C[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1)OC ZINC000449378285 528955123 /nfs/dbraw/zinc/95/51/23/528955123.db2.gz QPHGVRKFPQUELR-WQMJKPAKSA-N 1 0 292.379 3.403 20 5 CGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173406226 529004239 /nfs/dbraw/zinc/00/42/39/529004239.db2.gz VIOGIHQMPFVFOD-XJKSGUPXSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](F)CC)c1cccc([N+](=O)[O-])c1 ZINC000440603208 529173076 /nfs/dbraw/zinc/17/30/76/529173076.db2.gz YEIZVRXRYBCTDJ-WCQYABFASA-N 1 0 254.305 3.384 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000358175897 529220501 /nfs/dbraw/zinc/22/05/01/529220501.db2.gz ZXOZZNLAXLGSIX-GXTWGEPZSA-N 1 0 280.368 3.105 20 5 CGBDRO CC[C@@H]([NH2+]CC1(C)CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000222251036 535803055 /nfs/dbraw/zinc/80/30/55/535803055.db2.gz QLZGWFRRVNFIFX-OAHLLOKOSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C(C)(C)C1 ZINC000746678350 572891411 /nfs/dbraw/zinc/89/14/11/572891411.db2.gz QBSRBVGVOHVEBG-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CCOc1ccccc1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000049591369 617620440 /nfs/dbraw/zinc/62/04/40/617620440.db2.gz UIMVLBQVTHPFQJ-UHFFFAOYSA-N 1 0 286.331 3.283 20 5 CGBDRO CCC[C@H](CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000050404156 618100354 /nfs/dbraw/zinc/10/03/54/618100354.db2.gz KAQAYDXTGAIXHS-ZDUSSCGKSA-N 1 0 250.342 3.306 20 5 CGBDRO CS[C@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000235138204 618689705 /nfs/dbraw/zinc/68/97/05/618689705.db2.gz OXRMAMLZVLLGFZ-KGLIPLIRSA-N 1 0 294.420 3.401 20 5 CGBDRO CCCSC[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000892714746 618919021 /nfs/dbraw/zinc/91/90/21/618919021.db2.gz QWLAEUUDVIDNHC-NSHDSACASA-N 1 0 298.408 3.225 20 5 CGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894420624 619530259 /nfs/dbraw/zinc/53/02/59/619530259.db2.gz VUMIKHUOUZLZHH-MNOVXSKESA-N 1 0 298.770 3.010 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCO1 ZINC000894974198 619689824 /nfs/dbraw/zinc/68/98/24/619689824.db2.gz DJBHXDGCJHWCAP-STQMWFEESA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000896952369 620112559 /nfs/dbraw/zinc/11/25/59/620112559.db2.gz OONWLOPXUXMNDO-YPMHNXCESA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000897460242 620339989 /nfs/dbraw/zinc/33/99/89/620339989.db2.gz GCDNGJUFFFHVMU-IOASZLSFSA-N 1 0 292.379 3.246 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000897464316 620340105 /nfs/dbraw/zinc/34/01/05/620340105.db2.gz LARHGFGQMHFESV-BFHYXJOUSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H](CC1CC1)[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465772 620340651 /nfs/dbraw/zinc/34/06/51/620340651.db2.gz HXHFDIDJIBQSDP-NEPJUHHUSA-N 1 0 262.353 3.477 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cc(C[NH2+]C3CCCCC3)on2)o1 ZINC000901399353 620875771 /nfs/dbraw/zinc/87/57/71/620875771.db2.gz SXUJPEOKKFOHAI-UHFFFAOYSA-N 1 0 291.307 3.265 20 5 CGBDRO CCO[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000902821817 621456481 /nfs/dbraw/zinc/45/64/81/621456481.db2.gz LJAUUISRUPWCBB-GJZGRUSLSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCCOC(C)C)cc([N+](=O)[O-])c1 ZINC000903057674 621546048 /nfs/dbraw/zinc/54/60/48/621546048.db2.gz KIBQYYLIJNKIHB-LBPRGKRZSA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([C@H](C)[NH2+]Cc2ccccc2)cc([N+](=O)[O-])c1 ZINC000903056446 621546436 /nfs/dbraw/zinc/54/64/36/621546436.db2.gz VDKYYFMVAVCIQB-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCCSC)cc([N+](=O)[O-])c1 ZINC000903098330 621571819 /nfs/dbraw/zinc/57/18/19/621571819.db2.gz NIUYEHNYNBSMHS-JTQLQIEISA-N 1 0 284.381 3.007 20 5 CGBDRO COC1([C@H](C)[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000903247108 621649490 /nfs/dbraw/zinc/64/94/90/621649490.db2.gz YSIIKUGRMKMNAV-STQMWFEESA-N 1 0 292.379 3.246 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000903286518 621669987 /nfs/dbraw/zinc/66/99/87/621669987.db2.gz AOHBSWYVZYGMGH-NWDGAFQWSA-N 1 0 266.341 3.061 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C(C)(C)O ZINC000903390933 621729072 /nfs/dbraw/zinc/72/90/72/621729072.db2.gz PMDLOBAIEISKDM-UWVGGRQHSA-N 1 0 298.408 3.127 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C/C=C/Cl)C1CC1 ZINC000903443901 621755327 /nfs/dbraw/zinc/75/53/27/621755327.db2.gz LMHJVLKKTATSGG-ZHAHRWAOSA-N 1 0 280.755 3.258 20 5 CGBDRO Cc1cc([NH+]2CCCCCC2)ccc1NCC[N+](=O)[O-] ZINC000905337752 622063617 /nfs/dbraw/zinc/06/36/17/622063617.db2.gz VYHAYLIAMCFXFP-UHFFFAOYSA-N 1 0 277.368 3.064 20 5 CGBDRO Cc1c(C[NH2+]CCCOCC(C)C)cccc1[N+](=O)[O-] ZINC000225779986 622930947 /nfs/dbraw/zinc/93/09/47/622930947.db2.gz SNDHVRHQTCQOIE-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO C[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000226106017 622945389 /nfs/dbraw/zinc/94/53/89/622945389.db2.gz LLLZJVURLAPMPM-SNVBAGLBSA-N 1 0 285.294 3.039 20 5 CGBDRO Cc1ccc(OCCCCCCC[NH3+])cc1[N+](=O)[O-] ZINC000818620130 625643250 /nfs/dbraw/zinc/64/32/50/625643250.db2.gz SGEZMXAKXFZIES-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO CCC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000232914338 624384161 /nfs/dbraw/zinc/38/41/61/624384161.db2.gz HXHKEYLTXBNGFY-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1 ZINC000174876936 624400952 /nfs/dbraw/zinc/40/09/52/624400952.db2.gz GGSCHMMMBXXFAY-UHFFFAOYSA-N 1 0 254.717 3.233 20 5 CGBDRO CS[C@H]1CCC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000921939702 625938675 /nfs/dbraw/zinc/93/86/75/625938675.db2.gz FASILEKSFVFJGY-HIFRSBDPSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@H]([NH2+]CCNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000766516917 627339871 /nfs/dbraw/zinc/33/98/71/627339871.db2.gz YPZSJZQJXQUDAK-ZDUSSCGKSA-N 1 0 285.347 3.358 20 5 CGBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)(C)C ZINC000774841049 628036981 /nfs/dbraw/zinc/03/69/81/628036981.db2.gz MTRQQRKSDHVHHD-JTQLQIEISA-N 1 0 295.339 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC=CC2)c1 ZINC000125241595 634671399 /nfs/dbraw/zinc/67/13/99/634671399.db2.gz SPGJQCFWWLCMCQ-UHFFFAOYSA-N 1 0 252.701 3.056 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1(C)C ZINC000783637068 628734082 /nfs/dbraw/zinc/73/40/82/628734082.db2.gz CMLQRIRDMKUHAG-STQMWFEESA-N 1 0 298.770 3.151 20 5 CGBDRO C[N@H+](CC[N+](=O)[O-])Cc1ccccc1-c1ccccc1 ZINC000791051641 629252843 /nfs/dbraw/zinc/25/28/43/629252843.db2.gz HNWNDNGMSQFJCB-UHFFFAOYSA-N 1 0 270.332 3.062 20 5 CGBDRO Cc1c(F)nccc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000862381531 629358851 /nfs/dbraw/zinc/35/88/51/629358851.db2.gz DZSYUGKYFSGEGH-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO CN(CC[N@H+](C)C1CC1)c1ccc([N+](=O)[O-])cc1C(F)F ZINC000865681977 630349179 /nfs/dbraw/zinc/34/91/79/630349179.db2.gz CUMQJRGTDOYLQL-UHFFFAOYSA-N 1 0 299.321 3.063 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815592896 631802788 /nfs/dbraw/zinc/80/27/88/631802788.db2.gz VMQXEFYGKORHSF-NQBHXWOUSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815607817 631805318 /nfs/dbraw/zinc/80/53/18/631805318.db2.gz JIUZTVOGUBRAJQ-SCZZXKLOSA-N 1 0 285.294 3.015 20 5 CGBDRO COC(C)(C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000865754475 632878148 /nfs/dbraw/zinc/87/81/48/632878148.db2.gz JWASSUYOAQFPNX-JLHYYAGUSA-N 1 0 292.379 3.403 20 5 CGBDRO COc1ccsc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000865787322 632891159 /nfs/dbraw/zinc/89/11/59/632891159.db2.gz LNNMLKKKFUSJPV-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCO1 ZINC000865787705 632891488 /nfs/dbraw/zinc/89/14/88/632891488.db2.gz RGYUHUIYIZOIRA-LSDHHAIUSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)CCc2cccnc2)cccc1[N+](=O)[O-] ZINC000866348502 633091909 /nfs/dbraw/zinc/09/19/09/633091909.db2.gz SEMCZEDFRSRKTO-CYBMUJFWSA-N 1 0 299.374 3.409 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000866488458 633158318 /nfs/dbraw/zinc/15/83/18/633158318.db2.gz OFIIFHVZCMRFBR-OASPWFOLSA-N 1 0 298.383 3.149 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000866505361 633165703 /nfs/dbraw/zinc/16/57/03/633165703.db2.gz YETXATOTTXYRAU-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000866539808 633182479 /nfs/dbraw/zinc/18/24/79/633182479.db2.gz HCVBMXBBYLYKLS-SNVBAGLBSA-N 1 0 277.349 3.211 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000866632809 633221744 /nfs/dbraw/zinc/22/17/44/633221744.db2.gz BXFPADMGPYAQPG-GHJWDPDVSA-N 1 0 292.379 3.111 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000866636249 633224733 /nfs/dbraw/zinc/22/47/33/633224733.db2.gz XWFYHPZUCPSTLJ-WCFLWFBJSA-N 1 0 280.368 3.103 20 5 CGBDRO C[N@H+](CCC(C)(C)C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000829947444 633812379 /nfs/dbraw/zinc/81/23/79/633812379.db2.gz YHZKBRBVMOUUKG-UHFFFAOYSA-N 1 0 295.339 3.371 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCOCC1 ZINC000872025167 633946422 /nfs/dbraw/zinc/94/64/22/633946422.db2.gz HJSYOKFCUJLYLO-SNVBAGLBSA-N 1 0 296.392 3.146 20 5 CGBDRO CO[C@@H](C)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031543 633950287 /nfs/dbraw/zinc/95/02/87/633950287.db2.gz QKBMUEOAKLGASP-WDEREUQCSA-N 1 0 298.408 3.392 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872039199 633959425 /nfs/dbraw/zinc/95/94/25/633959425.db2.gz DBNQCGNUXMPDFA-RYUDHWBXSA-N 1 0 298.358 3.183 20 5 CGBDRO COC[C@@H]([NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872039138 633959454 /nfs/dbraw/zinc/95/94/54/633959454.db2.gz QVHYKLOZPZJDDG-CMPLNLGQSA-N 1 0 284.331 3.056 20 5 CGBDRO CC[C@@H](COC)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040235 633961350 /nfs/dbraw/zinc/96/13/50/633961350.db2.gz YRAWPXZEADASRL-MNOVXSKESA-N 1 0 298.408 3.392 20 5 CGBDRO COCCC1(C[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872051643 633974611 /nfs/dbraw/zinc/97/46/11/633974611.db2.gz JSAWYLIWAUJRBY-LLVKDONJSA-N 1 0 296.342 3.201 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053755 633976683 /nfs/dbraw/zinc/97/66/83/633976683.db2.gz MIXOUZQLVVNFQZ-UHIISALHSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H]([NH2+][C@H]1CSC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071905 633993635 /nfs/dbraw/zinc/99/36/35/633993635.db2.gz ZRMFQBOOSFJRBR-YWVKMMECSA-N 1 0 284.356 3.136 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000832468166 634062851 /nfs/dbraw/zinc/06/28/51/634062851.db2.gz FRZNWSIQUNDRMV-WOSRLPQWSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000832566112 634073757 /nfs/dbraw/zinc/07/37/57/634073757.db2.gz ZMTALRZBBQZZMI-JTQLQIEISA-N 1 0 266.316 3.497 20 5 CGBDRO CCOCCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873015260 634232331 /nfs/dbraw/zinc/23/23/31/634232331.db2.gz HSQQOJROGXLUHI-UHFFFAOYSA-N 1 0 280.368 3.118 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2C[C@@H](O)c3ccccc32)cccc1[N+](=O)[O-] ZINC000873136809 634256370 /nfs/dbraw/zinc/25/63/70/634256370.db2.gz JEHPGWVNHNQEBU-NVXWUHKLSA-N 1 0 298.342 3.171 20 5 CGBDRO CCCC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCC1 ZINC000877087607 634980345 /nfs/dbraw/zinc/98/03/45/634980345.db2.gz NJMQGLPRZYSMIW-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877459972 635045421 /nfs/dbraw/zinc/04/54/21/635045421.db2.gz PQEIFKZALVCRPG-ZJUUUORDSA-N 1 0 275.308 3.014 20 5 CGBDRO CC(C)=CCC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877562462 635092115 /nfs/dbraw/zinc/09/21/15/635092115.db2.gz TUBYBKMHSWGKQF-HSBZDZAISA-N 1 0 292.383 3.219 20 5 CGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CC3CCCCCC3)C2)c1 ZINC000877565671 635094270 /nfs/dbraw/zinc/09/42/70/635094270.db2.gz MUZGXTRPDIBGNY-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC2(CC(F)C2)C1 ZINC000877581210 635101310 /nfs/dbraw/zinc/10/13/10/635101310.db2.gz QPZXZUGVZBLRNT-UHFFFAOYSA-N 1 0 278.327 3.146 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+][C@@H]1C=CCC1 ZINC000877623891 635117612 /nfs/dbraw/zinc/11/76/12/635117612.db2.gz CXDPPBZWRHZHTJ-LLVKDONJSA-N 1 0 286.253 3.422 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CSC1 ZINC000877634254 635124360 /nfs/dbraw/zinc/12/43/60/635124360.db2.gz GGYGYZTUZSYVMT-BXUZGUMPSA-N 1 0 292.404 3.011 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccccc1[N+](=O)[O-] ZINC000878372906 635479462 /nfs/dbraw/zinc/47/94/62/635479462.db2.gz GNTHGAHIIZPVDK-STQMWFEESA-N 1 0 290.363 3.205 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880466763 636006599 /nfs/dbraw/zinc/00/65/99/636006599.db2.gz RCEAAKFMNCJNGO-SMDDNHRTSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000846039017 636135188 /nfs/dbraw/zinc/13/51/88/636135188.db2.gz SCZDWTVBAVIMAC-QWRGUYRKSA-N 1 0 292.763 3.451 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(C)C ZINC000847030089 636319342 /nfs/dbraw/zinc/31/93/42/636319342.db2.gz ZUCUHAHOTZVXOF-UHFFFAOYSA-N 1 0 281.312 3.123 20 5 CGBDRO CCCC[N@H+](C)Cn1cc(-c2ccccc2[N+](=O)[O-])cn1 ZINC000848475032 636579544 /nfs/dbraw/zinc/57/95/44/636579544.db2.gz JADCAORRAVVLKS-UHFFFAOYSA-N 1 0 288.351 3.148 20 5 CGBDRO COC[C@H]1C[C@@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000883316343 636665870 /nfs/dbraw/zinc/66/58/70/636665870.db2.gz UNRJTBKQLLUPTA-KKHVKSAZSA-N 1 0 290.363 3.013 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850370329 637033525 /nfs/dbraw/zinc/03/35/25/637033525.db2.gz CZBZINSOTKNIRX-WBVHZDCISA-N 1 0 298.342 3.171 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@@H](O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000850530313 637107553 /nfs/dbraw/zinc/10/75/53/637107553.db2.gz XBIBQCROLVMGEA-MZPVMMEZSA-N 1 0 298.342 3.424 20 5 CGBDRO C[C@@H]([NH2+][C@]1(C)CC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850556488 637121780 /nfs/dbraw/zinc/12/17/80/637121780.db2.gz QWZTZIGKSAVEJK-YMTOWFKASA-N 1 0 263.341 3.016 20 5 CGBDRO CCC1([NH+]2CCC2)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000884717924 637135679 /nfs/dbraw/zinc/13/56/79/637135679.db2.gz PIAKOIMDEMOWCV-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886114362 637420259 /nfs/dbraw/zinc/42/02/59/637420259.db2.gz NRNKCAYCWRARLN-DETPVDSQSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1cccc([C@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)c1 ZINC000886124833 637424935 /nfs/dbraw/zinc/42/49/35/637424935.db2.gz BWJLROMPQTVOHS-HNNXBMFYSA-N 1 0 297.358 3.288 20 5 CGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886130126 637429092 /nfs/dbraw/zinc/42/90/92/637429092.db2.gz WPHKTUOHGBKRIR-TZMCWYRMSA-N 1 0 277.368 3.438 20 5 CGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC000886158096 637440644 /nfs/dbraw/zinc/44/06/44/637440644.db2.gz RFSKDAAKIXVIDI-TZMCWYRMSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC[C@H](C)C1 ZINC000886239119 637467459 /nfs/dbraw/zinc/46/74/59/637467459.db2.gz PRIQBDKVECPQKP-RWMBFGLXSA-N 1 0 277.368 3.294 20 5 CGBDRO Cc1cncc([C@H]2CCCN2Cc2cccnc2[N+](=O)[O-])c1 ZINC000886310678 637494037 /nfs/dbraw/zinc/49/40/37/637494037.db2.gz RTEDATIZJAFDPF-OAHLLOKOSA-N 1 0 298.346 3.030 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886560277 637581087 /nfs/dbraw/zinc/58/10/87/637581087.db2.gz UEPJVEKEUCLZSV-PHIMTYICSA-N 1 0 298.795 3.043 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1(Br)CC1 ZINC000925312120 638494776 /nfs/dbraw/zinc/49/47/76/638494776.db2.gz WTDGQYKZCJDKLT-SECBINFHSA-N 1 0 299.168 3.000 20 5 CGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000926796541 638813160 /nfs/dbraw/zinc/81/31/60/638813160.db2.gz OWHKDLBXNPPQIN-GDBMZVCRSA-N 1 0 294.395 3.323 20 5 CGBDRO C[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCCO1 ZINC000927015179 638831654 /nfs/dbraw/zinc/83/16/54/638831654.db2.gz RGRZJXYAZCDLTR-HOCLYGCPSA-N 1 0 290.363 3.131 20 5 CGBDRO C[N@H+](CCCc1cccnc1)CCc1cccc([N+](=O)[O-])c1 ZINC000930353417 638992721 /nfs/dbraw/zinc/99/27/21/638992721.db2.gz KJHLKVHQEJINMB-UHFFFAOYSA-N 1 0 299.374 3.097 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176477 639287992 /nfs/dbraw/zinc/28/79/92/639287992.db2.gz FYZTVZCVGQXCEA-HFBAOOFYSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934339692 639589013 /nfs/dbraw/zinc/58/90/13/639589013.db2.gz UHUPMFJAIUKZPL-GWCFXTLKSA-N 1 0 264.300 3.108 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCOC23CCCC3)cccc1[N+](=O)[O-] ZINC000934394020 639601717 /nfs/dbraw/zinc/60/17/17/639601717.db2.gz GCTSLSNBNFDHTC-HNNXBMFYSA-N 1 0 290.363 3.095 20 5 CGBDRO CC[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000047965390 640035139 /nfs/dbraw/zinc/03/51/39/640035139.db2.gz GIEUZFBKJNRTPK-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@H]1[C@H]([NH3+])CCCN1c1ccc2ccc3cccnc3c2n1 ZINC001157731710 805858516 /nfs/dbraw/zinc/85/85/16/805858516.db2.gz FFAVYBOFFFYFPO-SWLSCSKDSA-N 1 0 292.386 3.099 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1cc([N+](=O)[O-])ccn1 ZINC001158728512 805990317 /nfs/dbraw/zinc/99/03/17/805990317.db2.gz FDIMDAWCUSPNRF-AWEZNQCLSA-N 1 0 298.346 3.230 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[C@H]([NH3+])C3)c([N+](=O)[O-])c1 ZINC001159833414 806184160 /nfs/dbraw/zinc/18/41/60/806184160.db2.gz XHHRLMLLEVEZSN-CYBMUJFWSA-N 1 0 283.331 3.073 20 5 CGBDRO O=[N+]([O-])c1cccc(Nc2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001159922618 806201076 /nfs/dbraw/zinc/20/10/76/806201076.db2.gz LJSPVJMQBLAFJI-MRXNPFEDSA-N 1 0 299.330 3.079 20 5 CGBDRO CC[C@@H](C)[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254474695 806412861 /nfs/dbraw/zinc/41/28/61/806412861.db2.gz SWDMXWIWLHXXLF-CYBMUJFWSA-N 1 0 291.395 3.294 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc(N)cc1 ZINC001254539263 806446664 /nfs/dbraw/zinc/44/66/64/806446664.db2.gz CIQCACFTGSVSKT-OLZOCXBDSA-N 1 0 299.374 3.459 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2ccccn2)CC1 ZINC001254537977 806446841 /nfs/dbraw/zinc/44/68/41/806446841.db2.gz LFHPIANUDMHXOS-CYBMUJFWSA-N 1 0 297.358 3.200 20 5 CGBDRO COC1(C)CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254550084 806447830 /nfs/dbraw/zinc/44/78/30/806447830.db2.gz CKXVKVVGYSZKQJ-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@](C)(CF)C1 ZINC001254552762 806449462 /nfs/dbraw/zinc/44/94/62/806449462.db2.gz PADAQFIEMKMYOP-WFASDCNBSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CF)C1 ZINC001254563295 806450910 /nfs/dbraw/zinc/45/09/10/806450910.db2.gz WEMZUXNIHUEZFH-STQMWFEESA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC(C)(C)C1 ZINC001254562884 806451587 /nfs/dbraw/zinc/45/15/87/806451587.db2.gz QUAOXVDRALRSIO-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccncc1 ZINC001254563522 806451850 /nfs/dbraw/zinc/45/18/50/806451850.db2.gz XVUDRJYHNSRTRA-AWEZNQCLSA-N 1 0 299.374 3.095 20 5 CGBDRO C[C@@]1(F)CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594985 806457101 /nfs/dbraw/zinc/45/71/01/806457101.db2.gz ULRWKXUOHVZHNO-HZPDHXFCSA-N 1 0 292.354 3.276 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254567405 806453266 /nfs/dbraw/zinc/45/32/66/806453266.db2.gz NFGSIRSYXDXHRC-KCPJHIHWSA-N 1 0 274.364 3.230 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccc1 ZINC001254569358 806453292 /nfs/dbraw/zinc/45/32/92/806453292.db2.gz XHYDDRFRHUTVDO-SUMWQHHRSA-N 1 0 296.370 3.455 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001254573534 806454174 /nfs/dbraw/zinc/45/41/74/806454174.db2.gz BNNFHYGZVOVWMW-ABAIWWIYSA-N 1 0 274.364 3.230 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254574846 806454579 /nfs/dbraw/zinc/45/45/79/806454579.db2.gz LMJXHVXQKDZSJF-NVXWUHKLSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC1(F)CCCCC1)C2 ZINC001254572533 806454680 /nfs/dbraw/zinc/45/46/80/806454680.db2.gz PQRGJKAXTPDYAN-CQSZACIVSA-N 1 0 292.354 3.324 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588221 806456253 /nfs/dbraw/zinc/45/62/53/806456253.db2.gz WQNYPKDHNHJGHJ-SWLSCSKDSA-N 1 0 288.391 3.478 20 5 CGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc3ccccc3c([N+](=O)[O-])c2)C1 ZINC001162403418 806578759 /nfs/dbraw/zinc/57/87/59/806578759.db2.gz CYMZTOCDAQDLJW-CHWSQXEVSA-N 1 0 285.347 3.430 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H](C)O1 ZINC000686506990 799734908 /nfs/dbraw/zinc/73/49/08/799734908.db2.gz GYRKQHIPGBUMHO-SCVCMEIPSA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)c(Cl)c1 ZINC000688295922 799747111 /nfs/dbraw/zinc/74/71/11/799747111.db2.gz GSYRSQROQMVPJF-NSHDSACASA-N 1 0 296.754 3.049 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000690391106 799775714 /nfs/dbraw/zinc/77/57/14/799775714.db2.gz JTYNJNBHMOVLAL-SNVBAGLBSA-N 1 0 281.331 3.019 20 5 CGBDRO CC(C)(C[NH2+]CCc1ccc([N+](=O)[O-])cc1)CC(F)F ZINC000694014324 799819433 /nfs/dbraw/zinc/81/94/33/799819433.db2.gz DTOJZQMHPJUNBX-UHFFFAOYSA-N 1 0 286.322 3.408 20 5 CGBDRO C[C@H]1CC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@H](C)O1 ZINC000694801811 799824043 /nfs/dbraw/zinc/82/40/43/799824043.db2.gz YZPGALZDIYWMSU-UWVGGRQHSA-N 1 0 298.770 3.294 20 5 CGBDRO CC(C)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C(C)(F)F ZINC000696583891 799840979 /nfs/dbraw/zinc/84/09/79/799840979.db2.gz ASTSYGHNHXWMGV-UHFFFAOYSA-N 1 0 278.324 3.427 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@H]2C)cccc1[N+](=O)[O-] ZINC000716662688 800179115 /nfs/dbraw/zinc/17/91/15/800179115.db2.gz CGGKPTKAEOYFLV-KJEVXHAQSA-N 1 0 274.364 3.285 20 5 CGBDRO C[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC(C)(C)C1 ZINC000840163800 800496513 /nfs/dbraw/zinc/49/65/13/800496513.db2.gz KUTBWBQTKSHSEC-UHFFFAOYSA-N 1 0 288.351 3.022 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001165278401 806984553 /nfs/dbraw/zinc/98/45/53/806984553.db2.gz GFCQRXLJTKWUGX-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001167487327 807199854 /nfs/dbraw/zinc/19/98/54/807199854.db2.gz KBWHIPALFRCCDF-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO N=C(Nc1nc2ccccc2c2ccccc21)SCC[NH3+] ZINC001167915930 807274160 /nfs/dbraw/zinc/27/41/60/807274160.db2.gz MIFNWILFFZJVSW-UHFFFAOYSA-N 1 0 296.399 3.427 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc3ccccc3s2)C1 ZINC001168965889 807543024 /nfs/dbraw/zinc/54/30/24/807543024.db2.gz DFNGCJKUCWTXOG-WCQYABFASA-N 1 0 290.388 3.436 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977331 807544755 /nfs/dbraw/zinc/54/47/55/807544755.db2.gz AHMLDAOKADBEEE-NFAWXSAZSA-N 1 0 262.353 3.091 20 5 CGBDRO CCCC[C@H](CC)C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168977723 807545123 /nfs/dbraw/zinc/54/51/23/807545123.db2.gz LMYWTRZRGGROGW-IHRRRGAJSA-N 1 0 256.390 3.238 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3CCCC[C@@H]32)C1 ZINC001168978396 807545738 /nfs/dbraw/zinc/54/57/38/807545738.db2.gz RVDNZFNSEHMJIF-RBGFHDKUSA-N 1 0 280.412 3.380 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3sccc3c2)C1 ZINC001168978959 807545914 /nfs/dbraw/zinc/54/59/14/807545914.db2.gz VWNGNPKWRADQNY-JSGCOSHPSA-N 1 0 290.388 3.436 20 5 CGBDRO [NH2+]=C(N[C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168986946 807546899 /nfs/dbraw/zinc/54/68/99/807546899.db2.gz GLVYZIXYOYTEJE-OCCSQVGLSA-N 1 0 297.358 3.200 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1OC ZINC001168987557 807547973 /nfs/dbraw/zinc/54/79/73/807547973.db2.gz JMZAJKKXGBBCGX-YDHLFZDLSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001168992802 807548073 /nfs/dbraw/zinc/54/80/73/807548073.db2.gz KSSNNUYVKQPJKM-CJNGLKHVSA-N 1 0 274.364 3.099 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001169001659 807549142 /nfs/dbraw/zinc/54/91/42/807549142.db2.gz HFFHDKKOQAKCEU-IFUGULHKSA-N 1 0 298.333 3.451 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3F)CCC2)C1 ZINC001168996027 807549211 /nfs/dbraw/zinc/54/92/11/807549211.db2.gz UGSWAJPBLRVQPG-OLZOCXBDSA-N 1 0 292.354 3.240 20 5 CGBDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168996977 807549348 /nfs/dbraw/zinc/54/93/48/807549348.db2.gz WZTMEWNNXQXFJL-XPKDYRNWSA-N 1 0 276.380 3.345 20 5 CGBDRO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C2(C)C ZINC001168997593 807549437 /nfs/dbraw/zinc/54/94/37/807549437.db2.gz DRGULIUNIICFIU-PMKSJIGOSA-N 1 0 280.412 3.092 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001169008591 807552248 /nfs/dbraw/zinc/55/22/48/807552248.db2.gz SRIZLIXFNVLPPB-SDJAHQOYSA-N 1 0 294.782 3.231 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCSc3ccccc3C2)C1 ZINC001169046359 807558735 /nfs/dbraw/zinc/55/87/35/807558735.db2.gz KZXCAUPMLHXKAP-JSGCOSHPSA-N 1 0 292.404 3.040 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C(C)C)c([N+](=O)[O-])c1 ZINC001170290592 807819246 /nfs/dbraw/zinc/81/92/46/807819246.db2.gz DFHUUQMUGBNMSO-NEPJUHHUSA-N 1 0 280.368 3.169 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]3C[C@@H]32)c([N+](=O)[O-])c1 ZINC001170353806 807828854 /nfs/dbraw/zinc/82/88/54/807828854.db2.gz FHEGIECCKQNUTN-ZOWXZIJZSA-N 1 0 290.363 3.019 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@@H]1CCCC[NH2+]1 ZINC001171333065 808029232 /nfs/dbraw/zinc/02/92/32/808029232.db2.gz ARYRTUZULBCCQD-CFNZNRNTSA-N 1 0 295.770 3.141 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1CCC1)CC2 ZINC001172895582 808474958 /nfs/dbraw/zinc/47/49/58/808474958.db2.gz FVSZGEFNGXEANL-HNNXBMFYSA-N 1 0 274.364 3.232 20 5 CGBDRO CCCCC[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175936 808533298 /nfs/dbraw/zinc/53/32/98/808533298.db2.gz VSSJFTXOHGSZHY-NSHDSACASA-N 1 0 298.358 3.453 20 5 CGBDRO Cc1cccc(C(=[NH2+])N[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173220360 808540166 /nfs/dbraw/zinc/54/01/66/808540166.db2.gz YXJKXBQNKALZFW-ZDUSSCGKSA-N 1 0 297.358 3.449 20 5 CGBDRO CCOC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173225533 808541788 /nfs/dbraw/zinc/54/17/88/808541788.db2.gz DMRWZFQGZZIBKN-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO CCCCC(=O)[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236178 808544653 /nfs/dbraw/zinc/54/46/53/808544653.db2.gz YQTRXPGSZZHHCZ-STQMWFEESA-N 1 0 292.379 3.263 20 5 CGBDRO CCO[C@@H](CC[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC001177943038 809834455 /nfs/dbraw/zinc/83/44/55/809834455.db2.gz NKYOBNPOOAZZQC-INIZCTEOSA-N 1 0 294.395 3.444 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCc3ccccc3C2)c1 ZINC001178347567 809861476 /nfs/dbraw/zinc/86/14/76/809861476.db2.gz YMKUHEPMRQTRRF-OAHLLOKOSA-N 1 0 296.370 3.490 20 5 CGBDRO Cc1ccc(Nc2ccnn2-c2cc[nH+]cc2)c([N+](=O)[O-])c1 ZINC001214169532 815376144 /nfs/dbraw/zinc/37/61/44/815376144.db2.gz RQZRQUXRNWNKTN-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC001195195880 811224469 /nfs/dbraw/zinc/22/44/69/811224469.db2.gz JEUXFNQKMGGZCJ-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C)C[C@H]1C ZINC001195349799 811246291 /nfs/dbraw/zinc/24/62/91/811246291.db2.gz DEQKUUVFFJXQJY-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H](C)C1CCC1 ZINC001201880434 811974262 /nfs/dbraw/zinc/97/42/62/811974262.db2.gz BBBHPWAPZMYWOE-LBPRGKRZSA-N 1 0 262.353 3.490 20 5 CGBDRO C[NH+](C)Cc1ccccc1Nc1ccccc1[N+](=O)[O-] ZINC001206173062 813226440 /nfs/dbraw/zinc/22/64/40/813226440.db2.gz UTWQZIITUYCFQW-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001217955510 816015900 /nfs/dbraw/zinc/01/59/00/816015900.db2.gz VHRUBNBFWXIHAW-CZIWCDLHSA-N 1 0 298.342 3.391 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001217960395 816018210 /nfs/dbraw/zinc/01/82/10/816018210.db2.gz OKFGBILENQEFOD-GFCCVEGCSA-N 1 0 278.352 3.023 20 5 CGBDRO CC(C)(C)c1ccc(O[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217994277 816039689 /nfs/dbraw/zinc/03/96/89/816039689.db2.gz GXUJBEXMVGHLKR-ZDUSSCGKSA-N 1 0 292.379 3.413 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001218021651 816058176 /nfs/dbraw/zinc/05/81/76/816058176.db2.gz CBAKEGAGTPPXGZ-ZANVPECISA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C[NH2+]1 ZINC001218036590 816068754 /nfs/dbraw/zinc/06/87/54/816068754.db2.gz DIXJPHDHSCHSCE-DGCLKSJQSA-N 1 0 295.338 3.075 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@H]3CC[NH2+]C3)cc2c1 ZINC001218180265 816118034 /nfs/dbraw/zinc/11/80/34/816118034.db2.gz PGRLVARKTGHPOT-AWEZNQCLSA-N 1 0 264.328 3.129 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001218186811 816120453 /nfs/dbraw/zinc/12/04/53/816120453.db2.gz BXHUHTSFQKGFIB-MGCOHNPYSA-N 1 0 284.743 3.158 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(C)cc([N+](=O)[O-])cc2C)CC1 ZINC001218188487 816121591 /nfs/dbraw/zinc/12/15/91/816121591.db2.gz VASBVJKIIJCYCV-MQMHXKEQSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2CC[NH2+]C3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001218306763 816159471 /nfs/dbraw/zinc/15/94/71/816159471.db2.gz KPKDVFZMWGDKGM-CYBMUJFWSA-N 1 0 290.363 3.265 20 5 CGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001218315284 816163435 /nfs/dbraw/zinc/16/34/35/816163435.db2.gz WLRJSKQDLGPYLH-LBPRGKRZSA-N 1 0 284.743 3.015 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@@H]4C[NH2+]C[C@H]34)cc2c1 ZINC001218327738 816167917 /nfs/dbraw/zinc/16/79/17/816167917.db2.gz UAKNCRBSWGBHLA-RVKKMQEKSA-N 1 0 290.366 3.375 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@@H]3C[C@H]4C[NH2+]C[C@@H]43)cc2c1 ZINC001218327737 816168179 /nfs/dbraw/zinc/16/81/79/816168179.db2.gz UAKNCRBSWGBHLA-RLFYNMQTSA-N 1 0 290.366 3.375 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1cccc2ccc3cccnc3c21 ZINC001218382446 816183905 /nfs/dbraw/zinc/18/39/05/816183905.db2.gz BRIPGTYBZOKNBR-NHYWBVRUSA-N 1 0 264.328 3.127 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001218385613 816185546 /nfs/dbraw/zinc/18/55/46/816185546.db2.gz IINHYDOJKFUBJC-BZNIZROVSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1CC[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])C[NH2+]1 ZINC001218399781 816192746 /nfs/dbraw/zinc/19/27/46/816192746.db2.gz RRGOCELXJYBDEL-YPMHNXCESA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@H]1CC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C[NH2+]1 ZINC001218400327 816193920 /nfs/dbraw/zinc/19/39/20/816193920.db2.gz DHHQYINQCNZVEK-GXTWGEPZSA-N 1 0 293.370 3.302 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001218412663 816202355 /nfs/dbraw/zinc/20/23/55/816202355.db2.gz CSXXWIYJQNROOU-IAQYHMDHSA-N 1 0 286.331 3.125 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)ccc2ccccc21 ZINC001218468533 816228654 /nfs/dbraw/zinc/22/86/54/816228654.db2.gz SCZVQMUMTRAACB-BPLDGKMQSA-N 1 0 298.342 3.125 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]C(C)(C)C2)c([N+](=O)[O-])cc1Cl ZINC001218478153 816235184 /nfs/dbraw/zinc/23/51/84/816235184.db2.gz WCZKUNSZORIWKZ-SNVBAGLBSA-N 1 0 298.770 3.466 20 5 CGBDRO CC(C)(C)[NH+]1CCC(OCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001222793796 816519127 /nfs/dbraw/zinc/51/91/27/816519127.db2.gz YQNMLGYEHWPAIO-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO Cc1ccc(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001223222604 816591035 /nfs/dbraw/zinc/59/10/35/816591035.db2.gz LKEYRKZHEHZCKS-FICVDOATSA-N 1 0 290.363 3.045 20 5 CGBDRO Cc1ccc(CO[C@@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001223227100 816592086 /nfs/dbraw/zinc/59/20/86/816592086.db2.gz ZWNWLFWSSFNRSH-OAHLLOKOSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc([N+](=O)[O-])c1 ZINC001223430708 816629806 /nfs/dbraw/zinc/62/98/06/816629806.db2.gz PQNSHFNGDFYPJW-OEYIWLLWSA-N 1 0 290.363 3.298 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1CO[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001223535585 816646931 /nfs/dbraw/zinc/64/69/31/816646931.db2.gz NITJMCYPZDVONV-BTTYYORXSA-N 1 0 290.363 3.045 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc(-c2ccccn2)cc1 ZINC001223754224 816676181 /nfs/dbraw/zinc/67/61/81/816676181.db2.gz XOWVNWDRFIZNGQ-HNNXBMFYSA-N 1 0 285.411 3.360 20 5 CGBDRO Cc1cc(CO[C@H](C)C[N+](C)(C)C)c2ccccc2n1 ZINC001223866741 816693711 /nfs/dbraw/zinc/69/37/11/816693711.db2.gz CEXVUEGQPHJRFR-CQSZACIVSA-N 1 0 273.400 3.155 20 5 CGBDRO COc1ccccc1[C@@H](OCC[N+](C)(C)C)C(F)(F)F ZINC001224773101 816878425 /nfs/dbraw/zinc/87/84/25/816878425.db2.gz DJWYUPQSOOQPCU-CYBMUJFWSA-N 1 0 292.321 3.021 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2nc(Cl)ccc2c1 ZINC001225389719 817035953 /nfs/dbraw/zinc/03/59/53/817035953.db2.gz IUORVLACWHLPIC-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc2ccccc2cc1O ZINC001225736934 817161310 /nfs/dbraw/zinc/16/13/10/817161310.db2.gz HFWPUNZXJCJOPZ-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO CC[NH+]1CCC(Oc2cccc([N+](=O)[O-])c2Cl)CC1 ZINC001225785691 817178639 /nfs/dbraw/zinc/17/86/39/817178639.db2.gz KMFJZYQPSXXMEW-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226445470 817358748 /nfs/dbraw/zinc/35/87/48/817358748.db2.gz DKTCKSLDJCZHBS-CYBMUJFWSA-N 1 0 292.379 3.365 20 5 CGBDRO Cc1ccc(Br)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001228052232 817796811 /nfs/dbraw/zinc/79/68/11/817796811.db2.gz IAPTVDVJQXVVAZ-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO CCCCOC(=O)c1ccccc1O[C@@H](C)C[N+](C)(C)C ZINC001228212465 817838857 /nfs/dbraw/zinc/83/88/57/817838857.db2.gz RIFCZWDJPJDJDM-AWEZNQCLSA-N 1 0 294.415 3.117 20 5 CGBDRO CSc1ccc(O[C@H](C)C[N+](C)(C)C)c(C)c1 ZINC001228470436 817914482 /nfs/dbraw/zinc/91/44/82/817914482.db2.gz LUIKHNHHUWBYKH-GFCCVEGCSA-N 1 0 254.419 3.190 20 5 CGBDRO C[NH+]1CCC(Oc2ccc3nc4ccccc4nc3c2)CC1 ZINC001228739399 817994020 /nfs/dbraw/zinc/99/40/20/817994020.db2.gz YQKZNKFCPBFUGU-UHFFFAOYSA-N 1 0 293.370 3.256 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1ccnc2c1ccc1cccnc12 ZINC001234086461 818775641 /nfs/dbraw/zinc/77/56/41/818775641.db2.gz GFHHYOOCMRTIDT-LBPRGKRZSA-N 1 0 281.359 3.112 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(F)c1Cl ZINC001234233876 818810154 /nfs/dbraw/zinc/81/01/54/818810154.db2.gz NJCCBAUYXYETAE-MRVPVSSYSA-N 1 0 264.723 3.092 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(F)c(F)c1Cl ZINC001234233879 818810391 /nfs/dbraw/zinc/81/03/91/818810391.db2.gz NJCCBAUYXYETAE-QMMMGPOBSA-N 1 0 264.723 3.092 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c(F)c1F ZINC001234942680 818959571 /nfs/dbraw/zinc/95/95/71/818959571.db2.gz KUAPIPIWWZDZGF-MRVPVSSYSA-N 1 0 264.723 3.092 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C/C=C\C1CC1 ZINC001346506325 936851540 /nfs/dbraw/zinc/85/15/40/936851540.db2.gz QVUZGKWRUXLXDK-SFAKSCPVSA-N 1 0 258.321 3.138 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@H]1C ZINC001459993908 928732681 /nfs/dbraw/zinc/73/26/81/928732681.db2.gz VSFIEXADKISIPH-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1ccc(N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c([N+](=O)[O-])c1 ZINC001458556705 937468728 /nfs/dbraw/zinc/46/87/28/937468728.db2.gz NCISSHJOIHHFPA-HNNXBMFYSA-N 1 0 291.395 3.070 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229376878 932142124 /nfs/dbraw/zinc/14/21/24/932142124.db2.gz MQBYASNVHPUJKK-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1ccc2ccnc(O[C@H](C)C[N+](C)(C)C)c2c1 ZINC001229507199 932162923 /nfs/dbraw/zinc/16/29/23/932162923.db2.gz AEFUTBNRQQXAFY-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461588494 937587350 /nfs/dbraw/zinc/58/73/50/937587350.db2.gz IUQWKDNODNEJLJ-FZMZJTMJSA-N 1 0 294.395 3.098 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)cc1[N+](=O)[O-] ZINC001461836958 937601173 /nfs/dbraw/zinc/60/11/73/937601173.db2.gz UJUAYTDRIJOPCF-JGGQBBKZSA-N 1 0 290.363 3.128 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001229962124 932511794 /nfs/dbraw/zinc/51/17/94/932511794.db2.gz ORPPGDXESXIOSB-PEGIJTEDSA-N 1 0 296.754 3.252 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)c2ccccc12 ZINC001230461402 932574652 /nfs/dbraw/zinc/57/46/52/932574652.db2.gz WYPFCJJSYRWWFF-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001230723939 932614968 /nfs/dbraw/zinc/61/49/68/932614968.db2.gz QQHCQOSVNSGBKS-WDNDVIMCSA-N 1 0 290.363 3.216 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC001462063944 937615882 /nfs/dbraw/zinc/61/58/82/937615882.db2.gz XQPTUCZRSVYUHK-DOMZBBRYSA-N 1 0 294.395 3.481 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC[C@@H](F)C2)c(F)c1 ZINC001332437131 932744630 /nfs/dbraw/zinc/74/46/30/932744630.db2.gz VAZRXBNBHYBBDF-MNOVXSKESA-N 1 0 270.279 3.104 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CC(C)(C)CCC1(C)C ZINC001307945989 933023942 /nfs/dbraw/zinc/02/39/42/933023942.db2.gz TUVXQCIMPSLZNC-UHFFFAOYSA-N 1 0 294.399 3.000 20 5 CGBDRO CC1(C)[C@H](c2ccccc2Cl)CC[N@@H+]1CC[N+](=O)[O-] ZINC001308037019 933039467 /nfs/dbraw/zinc/03/94/67/933039467.db2.gz XOPAEDKJRUXHNZ-LBPRGKRZSA-N 1 0 282.771 3.185 20 5 CGBDRO CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC001308958741 933213267 /nfs/dbraw/zinc/21/32/67/933213267.db2.gz MAAVGVPSWHFPEW-YRGRVCCFSA-N 1 0 262.353 3.477 20 5 CGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC001318854776 933787516 /nfs/dbraw/zinc/78/75/16/933787516.db2.gz OKYYCKGTFULXJF-WDEREUQCSA-N 1 0 286.422 3.372 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1N(C)C)c1cccc([N+](=O)[O-])c1 ZINC001319383918 933865049 /nfs/dbraw/zinc/86/50/49/933865049.db2.gz PAYXOIPCKOCGJR-MAZHCROVSA-N 1 0 291.395 3.118 20 5 CGBDRO CCCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC001320036977 933984690 /nfs/dbraw/zinc/98/46/90/933984690.db2.gz FTHXZZMHYQUKCR-MRXNPFEDSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC001329643932 935237210 /nfs/dbraw/zinc/23/72/10/935237210.db2.gz RLMPAUHKELZEHL-YWVKMMECSA-N 1 0 252.289 3.183 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC001333671982 935559695 /nfs/dbraw/zinc/55/96/95/935559695.db2.gz SXMSXCSGDGLDAQ-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)c1nccs1 ZINC001474426416 937859215 /nfs/dbraw/zinc/85/92/15/937859215.db2.gz YITWRMBDPXPZAT-SECBINFHSA-N 1 0 295.339 3.084 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(C(C)C)CC1 ZINC001559541879 938228756 /nfs/dbraw/zinc/22/87/56/938228756.db2.gz GGVUUBXCTUNFGZ-UHFFFAOYSA-N 1 0 292.379 3.471 20 5 CGBDRO CC[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001559769406 938235267 /nfs/dbraw/zinc/23/52/67/938235267.db2.gz OCGNKFNXZLRLPX-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@H]([NH2+]Cc1c(Br)cccc1[N+](=O)[O-])C1CC1 ZINC001560488592 938260381 /nfs/dbraw/zinc/26/03/81/938260381.db2.gz LBUPNRXIIOMVHQ-QMMMGPOBSA-N 1 0 299.168 3.245 20 5 CGBDRO Cc1cc(NCc2ccc(C[NH3+])cc2F)c([N+](=O)[O-])s1 ZINC001579635728 962645617 /nfs/dbraw/zinc/64/56/17/962645617.db2.gz LENXYGFSNZZHCG-UHFFFAOYSA-N 1 0 295.339 3.175 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000589688074 346807546 /nfs/dbraw/zinc/80/75/46/346807546.db2.gz YSSLVSOQMOUBQG-GFCCVEGCSA-N 1 0 295.358 3.329 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](CO)C2CCCC2)cccc1[N+](=O)[O-] ZINC000290281851 197657308 /nfs/dbraw/zinc/65/73/08/197657308.db2.gz XGXVZIDLZOMRBB-IUODEOHRSA-N 1 0 292.379 3.105 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000337987053 214345403 /nfs/dbraw/zinc/34/54/03/214345403.db2.gz GHCGSTBTJLLELQ-LSDHHAIUSA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CC1(F)F ZINC000591255944 346912245 /nfs/dbraw/zinc/91/22/45/346912245.db2.gz LVARVAVKFGFREL-SBMIAAHKSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1C[C@@H]1C ZINC000414077902 529628013 /nfs/dbraw/zinc/62/80/13/529628013.db2.gz QHRVZJWLHHZHBT-DRZSPHRISA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCS1 ZINC000126504764 187243880 /nfs/dbraw/zinc/24/38/80/187243880.db2.gz MWJZMPZCBQYCQC-LLVKDONJSA-N 1 0 272.395 3.032 20 5 CGBDRO C[C@@H]1CN(Cc2csc([N+](=O)[O-])c2)CC2(CCCC2)O1 ZINC000592186680 346970049 /nfs/dbraw/zinc/97/00/49/346970049.db2.gz FDMFUGIHAGQKDG-LLVKDONJSA-N 1 0 296.392 3.190 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592395434 346983240 /nfs/dbraw/zinc/98/32/40/346983240.db2.gz BHEWPPSKKJDHJR-OUCADQQQSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]1SCC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000592399023 346983803 /nfs/dbraw/zinc/98/38/03/346983803.db2.gz LRHCBBFXNNCDRF-LKTVYLICSA-N 1 0 292.404 3.456 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CC(C)(C)O ZINC000295112415 199350497 /nfs/dbraw/zinc/35/04/97/199350497.db2.gz VGAPYTHBXKGMNL-STQMWFEESA-N 1 0 294.395 3.055 20 5 CGBDRO COC[C@@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C(C)C ZINC000086699977 345750680 /nfs/dbraw/zinc/75/06/80/345750680.db2.gz MYQJYZOPKRQTEX-GFCCVEGCSA-N 1 0 286.759 3.009 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088702897 345763113 /nfs/dbraw/zinc/76/31/13/345763113.db2.gz JGBNWDLOIIWECF-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccco1 ZINC000090910127 345796919 /nfs/dbraw/zinc/79/69/19/345796919.db2.gz BAFRKURTVZLHDX-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO CSCC[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000129598350 346051249 /nfs/dbraw/zinc/05/12/49/346051249.db2.gz HWYLNFCHVUZXBP-TZMCWYRMSA-N 1 0 294.420 3.259 20 5 CGBDRO C[N@H+](CCCNc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000159322521 346166645 /nfs/dbraw/zinc/16/66/45/346166645.db2.gz YEOIIEZVGOCHKG-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000234040273 346330288 /nfs/dbraw/zinc/33/02/88/346330288.db2.gz IIKPCBJISKBQAN-ZLDLUXBVSA-N 1 0 278.352 3.061 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000593603286 347094043 /nfs/dbraw/zinc/09/40/43/347094043.db2.gz KSFPHVOFFWAPES-AWEZNQCLSA-N 1 0 294.395 3.178 20 5 CGBDRO CCOC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000314837718 346482349 /nfs/dbraw/zinc/48/23/49/346482349.db2.gz YMCCFYFPWVSYQM-UHFFFAOYSA-N 1 0 292.379 3.076 20 5 CGBDRO COCCSCCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000278843815 232561020 /nfs/dbraw/zinc/56/10/20/232561020.db2.gz LHIGLFFCSOWDJI-GFCCVEGCSA-N 1 0 298.408 3.015 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@@H]1CCCCO1 ZINC000594041549 347143559 /nfs/dbraw/zinc/14/35/59/347143559.db2.gz FNIYXUMDOZTGGA-HOCLYGCPSA-N 1 0 292.379 3.341 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594045470 347144346 /nfs/dbraw/zinc/14/43/46/347144346.db2.gz XCGWENPJRSJFJQ-LSDHHAIUSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@@H](C)SC2)cccc1[N+](=O)[O-] ZINC000594499791 347179951 /nfs/dbraw/zinc/17/99/51/347179951.db2.gz JVAYWMSCFUEZCT-ZWNOBZJWSA-N 1 0 280.393 3.277 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594511909 347183448 /nfs/dbraw/zinc/18/34/48/347183448.db2.gz AGALZKLNLDBUKI-LBPRGKRZSA-N 1 0 298.358 3.275 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccoc1)c1ccc([N+](=O)[O-])cc1 ZINC000594732654 347214209 /nfs/dbraw/zinc/21/42/09/347214209.db2.gz WBRKORKNRQZRFL-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000594961096 347242217 /nfs/dbraw/zinc/24/22/17/347242217.db2.gz FEHYKCYYGVTXBV-VDBIKXPHSA-N 1 0 290.363 3.155 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])O1 ZINC000594985316 347249213 /nfs/dbraw/zinc/24/92/13/347249213.db2.gz LFOVABVWYUHFJG-JGOVJGDKSA-N 1 0 290.363 3.155 20 5 CGBDRO Cc1noc(C[NH+](CC(C)C)CC(C)C)c1[N+](=O)[O-] ZINC000595291263 347287653 /nfs/dbraw/zinc/28/76/53/347287653.db2.gz OYYPJEKTAKWMMZ-UHFFFAOYSA-N 1 0 269.345 3.005 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]2C2CCCCC2)c1[N+](=O)[O-] ZINC000595298859 347289126 /nfs/dbraw/zinc/28/91/26/347289126.db2.gz UIABOBOWQNRYJD-CYBMUJFWSA-N 1 0 293.367 3.436 20 5 CGBDRO CC[C@@H](C)[C@@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329930 347293118 /nfs/dbraw/zinc/29/31/18/347293118.db2.gz YQAPYPFZTHIPPG-PWSUYJOCSA-N 1 0 281.356 3.292 20 5 CGBDRO CCC[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386756 347297681 /nfs/dbraw/zinc/29/76/81/347297681.db2.gz RJMROGYQPCEVNU-CMPLNLGQSA-N 1 0 281.356 3.292 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC23CCCCC3)c1[N+](=O)[O-] ZINC000595394108 347298467 /nfs/dbraw/zinc/29/84/67/347298467.db2.gz DEJZAPNACXMSFF-UHFFFAOYSA-N 1 0 279.340 3.190 20 5 CGBDRO Cc1cc([C@H](C)NCc2onc(C)c2[N+](=O)[O-])c(C)s1 ZINC000595415700 347299986 /nfs/dbraw/zinc/29/99/86/347299986.db2.gz MYTSTVJYLSSHBG-QMMMGPOBSA-N 1 0 295.364 3.420 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC[C@@H](C)F ZINC000595038162 347265278 /nfs/dbraw/zinc/26/52/78/347265278.db2.gz KCAXIQNAKKVENG-ZJUUUORDSA-N 1 0 270.304 3.002 20 5 CGBDRO CCCN1CC[C@H]([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096895 347283157 /nfs/dbraw/zinc/28/31/57/347283157.db2.gz NSMPVXNAFZXTSH-KGLIPLIRSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755012 347350498 /nfs/dbraw/zinc/35/04/98/347350498.db2.gz DYANTAUYSCFVAO-LBPRGKRZSA-N 1 0 266.316 3.166 20 5 CGBDRO Cc1noc(CN(C)Cc2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000595467769 347307887 /nfs/dbraw/zinc/30/78/87/347307887.db2.gz WULVZNZVRMFNNY-UHFFFAOYSA-N 1 0 289.335 3.140 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)CCOc1ccccc1[N+](=O)[O-] ZINC000595592535 347322773 /nfs/dbraw/zinc/32/27/73/347322773.db2.gz FMWCBGAMNNPEKP-GFCCVEGCSA-N 1 0 266.341 3.094 20 5 CGBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c([N+](=O)[O-])s1 ZINC000596087638 347381894 /nfs/dbraw/zinc/38/18/94/347381894.db2.gz GDUGIACTYDEASZ-SNVBAGLBSA-N 1 0 283.397 3.109 20 5 CGBDRO CC[NH+](CC)C[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141113 347388104 /nfs/dbraw/zinc/38/81/04/347388104.db2.gz IUBNFWCYFGCXHQ-LBPRGKRZSA-N 1 0 297.424 3.133 20 5 CGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141272 347388943 /nfs/dbraw/zinc/38/89/43/347388943.db2.gz HSUVNWDYCZDFLP-LBPRGKRZSA-N 1 0 297.424 3.133 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596335109 347421778 /nfs/dbraw/zinc/42/17/78/347421778.db2.gz DXTUQRMDQWPFHN-ZDUSSCGKSA-N 1 0 277.368 3.188 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccccc2C[C@@H]2CCCC[NH2+]2)cn1 ZINC000596636728 347494985 /nfs/dbraw/zinc/49/49/85/347494985.db2.gz MHOCESDSPPZKRN-HNNXBMFYSA-N 1 0 297.358 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000596571273 347480974 /nfs/dbraw/zinc/48/09/74/347480974.db2.gz RXBLAOSOSKXRQQ-AWEZNQCLSA-N 1 0 289.379 3.129 20 5 CGBDRO CC1(C)CCC[C@](CO)([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000598995089 347704819 /nfs/dbraw/zinc/70/48/19/347704819.db2.gz PCQBTCKSDNKXIL-AWEZNQCLSA-N 1 0 298.408 3.077 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000599673431 347763795 /nfs/dbraw/zinc/76/37/95/347763795.db2.gz OALJWMMGQPPOLW-GFCCVEGCSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600129338 347782886 /nfs/dbraw/zinc/78/28/86/347782886.db2.gz ILSSXFMQDPJDCX-JTQLQIEISA-N 1 0 284.306 3.161 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600136102 347783527 /nfs/dbraw/zinc/78/35/27/347783527.db2.gz PFSNQRNZRDJCRM-SECBINFHSA-N 1 0 270.279 3.118 20 5 CGBDRO Cc1cc(-c2ccc([N+](=O)[O-])cc2)cc2c1C[NH2+]CC2 ZINC000600788469 347835621 /nfs/dbraw/zinc/83/56/21/347835621.db2.gz MRBQAZPQSQICNO-UHFFFAOYSA-N 1 0 268.316 3.216 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC23CC3)cc1[N+](=O)[O-] ZINC000601138448 347874002 /nfs/dbraw/zinc/87/40/02/347874002.db2.gz STMJFVAAUNTWEE-CQSZACIVSA-N 1 0 260.337 3.326 20 5 CGBDRO COc1ccc(C[NH2+][C@]23C[C@H]2CCCC3)cc1[N+](=O)[O-] ZINC000601148994 347874903 /nfs/dbraw/zinc/87/49/03/347874903.db2.gz IEPDJQXOFIGLRX-IUODEOHRSA-N 1 0 276.336 3.026 20 5 CGBDRO CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602502699 347971610 /nfs/dbraw/zinc/97/16/10/347971610.db2.gz HYUYRMBUDGMIOG-UHFFFAOYSA-N 1 0 262.231 3.113 20 5 CGBDRO C[C@@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC=CCC1 ZINC000602688362 348009817 /nfs/dbraw/zinc/00/98/17/348009817.db2.gz UZLPUCQSSVSZIH-OAHLLOKOSA-N 1 0 287.319 3.324 20 5 CGBDRO Cc1c(C[N@H+]2C[C@H](C)C[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000603836667 348097486 /nfs/dbraw/zinc/09/74/86/348097486.db2.gz XUDJZZDCRHVWLL-TXEJJXNPSA-N 1 0 262.353 3.381 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000609386609 348343236 /nfs/dbraw/zinc/34/32/36/348343236.db2.gz YMZFMNZEUZGIQL-HIFRSBDPSA-N 1 0 291.395 3.118 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2C3CCCC2CCC3)c1 ZINC000610369976 348379742 /nfs/dbraw/zinc/37/97/42/348379742.db2.gz ILWTYHSNWFKHTQ-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000610539280 348389530 /nfs/dbraw/zinc/38/95/30/348389530.db2.gz GJUXCNBLBGAHBU-STQMWFEESA-N 1 0 285.347 3.444 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC(F)(F)C1 ZINC000610787802 348403300 /nfs/dbraw/zinc/40/33/00/348403300.db2.gz RSODYTYQKBITSK-PYEVWLCESA-N 1 0 282.290 3.385 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC[NH+]1CCCCC1 ZINC000611681515 348466908 /nfs/dbraw/zinc/46/69/08/348466908.db2.gz IZGVMSRMLWZKQO-CQSZACIVSA-N 1 0 291.395 3.074 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000612580817 348529513 /nfs/dbraw/zinc/52/95/13/348529513.db2.gz STHPMXVRCYDEDU-NSHDSACASA-N 1 0 270.279 3.181 20 5 CGBDRO O=[N+]([O-])c1ccccc1C=CCNc1cc2c(c[nH+]1)CCC2 ZINC000339552018 215240407 /nfs/dbraw/zinc/24/04/07/215240407.db2.gz BDLBHQSQQVJBPU-YWEYNIOJSA-N 1 0 295.342 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2nc(C[NH+]3CCCCC3)co2)cc1 ZINC000152941211 188054493 /nfs/dbraw/zinc/05/44/93/188054493.db2.gz RPWXGGDHIVAJCZ-UHFFFAOYSA-N 1 0 287.319 3.236 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412046816 235116482 /nfs/dbraw/zinc/11/64/82/235116482.db2.gz RQCKLKZPWPHQHF-JTQLQIEISA-N 1 0 288.351 3.092 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCCCC[N@@H+](C)C1CC1 ZINC000413349089 235270733 /nfs/dbraw/zinc/27/07/33/235270733.db2.gz QLGDHALIOKPBMK-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)cc1[N+](=O)[O-] ZINC000414286315 235379136 /nfs/dbraw/zinc/37/91/36/235379136.db2.gz SHJOZBVOPSDUDB-OSFYFWSMSA-N 1 0 292.379 3.367 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000472638478 535307453 /nfs/dbraw/zinc/30/74/53/535307453.db2.gz PMPYQXPYPBEOCZ-CQSZACIVSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1c(C[N@@H+]2CCC3(CCC3)C2)cccc1[N+](=O)[O-] ZINC000123569555 138368007 /nfs/dbraw/zinc/36/80/07/138368007.db2.gz ZOQDYFPNKPZDOT-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC3(CCC3)C2)cc1 ZINC000123608891 138368516 /nfs/dbraw/zinc/36/85/16/138368516.db2.gz WJLKYFCCNGCPGB-UHFFFAOYSA-N 1 0 260.337 3.013 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000512270012 535355334 /nfs/dbraw/zinc/35/53/34/535355334.db2.gz LRASIIJUUGCJLI-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294802205 199190345 /nfs/dbraw/zinc/19/03/45/199190345.db2.gz PAJKJNIEQBVYQB-HZMBPMFUSA-N 1 0 295.408 3.113 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000297293596 200137261 /nfs/dbraw/zinc/13/72/61/200137261.db2.gz LYTHLNCPCPILOM-QWHCGFSZSA-N 1 0 280.368 3.369 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C(C)C ZINC000341810291 216114137 /nfs/dbraw/zinc/11/41/37/216114137.db2.gz QUQICFSASUMVHF-NSHDSACASA-N 1 0 266.341 3.080 20 5 CGBDRO C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000293684157 291232904 /nfs/dbraw/zinc/23/29/04/291232904.db2.gz NIPSTCXHDMKFHG-VCTAVGKDSA-N 1 0 290.363 3.084 20 5 CGBDRO CC[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H](C)O1 ZINC000182163768 189315446 /nfs/dbraw/zinc/31/54/46/189315446.db2.gz SXIIALNMXRSGBS-GWCFXTLKSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@@H]1CCC[C@H](C)C1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182735984 189333358 /nfs/dbraw/zinc/33/33/58/189333358.db2.gz AVZREVLJYYMGHH-SQJLCCANSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCCC1 ZINC000449072168 239158727 /nfs/dbraw/zinc/15/87/27/239158727.db2.gz JWDJMLVGUGMSQW-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000449165757 239217508 /nfs/dbraw/zinc/21/75/08/239217508.db2.gz ATEYNPYPKBAFLV-SNVBAGLBSA-N 1 0 290.285 3.458 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC(C)(F)C1 ZINC000449375638 239362629 /nfs/dbraw/zinc/36/26/29/239362629.db2.gz IEVCKCFAZQJWOJ-JKDOVBDQSA-N 1 0 266.316 3.006 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC[C@H]1CCOC1 ZINC000449687004 239598673 /nfs/dbraw/zinc/59/86/73/239598673.db2.gz ZNWXRKPIFGCEHN-ZBKLQPJUSA-N 1 0 290.363 3.014 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCC[C@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000453391566 240905211 /nfs/dbraw/zinc/90/52/11/240905211.db2.gz YETQRPOJESCKOM-KBPBESRZSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459739040 242202472 /nfs/dbraw/zinc/20/24/72/242202472.db2.gz APOXQRMAMBQQLP-UTPJNDRASA-N 1 0 272.348 3.386 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000460353618 242265358 /nfs/dbraw/zinc/26/53/58/242265358.db2.gz GWAKKAGBNGALCX-DOMZBBRYSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@@H]1CCCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000481600295 243199495 /nfs/dbraw/zinc/19/94/95/243199495.db2.gz YSYKHNVOFQKSNJ-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404991 243193534 /nfs/dbraw/zinc/19/35/34/243193534.db2.gz SNTHYFNNWAPWLY-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO C[NH+](C)C(C)(C)CNc1ccc([N+](=O)[O-])cc1Cl ZINC000023745344 368824643 /nfs/dbraw/zinc/82/46/43/368824643.db2.gz BBPXTHQOYDZVTE-UHFFFAOYSA-N 1 0 271.748 3.000 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176795 369074363 /nfs/dbraw/zinc/07/43/63/369074363.db2.gz KIAMRSNUTXZXSP-LBPRGKRZSA-N 1 0 256.305 3.446 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000037562460 369088770 /nfs/dbraw/zinc/08/87/70/369088770.db2.gz MMJSWOSUNPGPDW-GFCCVEGCSA-N 1 0 297.424 3.010 20 5 CGBDRO COc1cccc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000037680315 369098946 /nfs/dbraw/zinc/09/89/46/369098946.db2.gz JGKANYAUUPEYTD-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO COCc1cccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000038010632 369139184 /nfs/dbraw/zinc/13/91/84/369139184.db2.gz LFLCLVIULWBYGP-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO CC(C)CC[C@@H]1CCC[C@@H]1[NH2+]Cc1c([N+](=O)[O-])ncn1C ZINC000493533216 244182625 /nfs/dbraw/zinc/18/26/25/244182625.db2.gz WTPAPIJYGPENTL-STQMWFEESA-N 1 0 294.399 3.023 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000045657107 369282962 /nfs/dbraw/zinc/28/29/62/369282962.db2.gz PHNOKYHSRKJSDZ-DOMZBBRYSA-N 1 0 280.368 3.308 20 5 CGBDRO C[C@@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000047873362 369330566 /nfs/dbraw/zinc/33/05/66/369330566.db2.gz RXXMHFVLQRIKRM-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccco2)c(Cl)c1 ZINC000049963498 369425146 /nfs/dbraw/zinc/42/51/46/369425146.db2.gz QFKUEBDEJZZEFF-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO COc1ccc([C@@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1 ZINC000051634418 369449951 /nfs/dbraw/zinc/44/99/51/369449951.db2.gz MLIRIKAYOSWBGR-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H](C)C[NH+]1CCCC1 ZINC000062075759 369618000 /nfs/dbraw/zinc/61/80/00/369618000.db2.gz HADWVQKGKMIRTF-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000062726367 369629655 /nfs/dbraw/zinc/62/96/55/369629655.db2.gz SIBUOTSEJFBJMX-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000062726368 369630327 /nfs/dbraw/zinc/63/03/27/369630327.db2.gz SIBUOTSEJFBJMX-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000087043998 370026166 /nfs/dbraw/zinc/02/61/66/370026166.db2.gz CEVGJCPIDQXOSN-MFOWVQHXSA-N 1 0 292.379 3.187 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090725082 370066390 /nfs/dbraw/zinc/06/63/90/370066390.db2.gz KCNRIVPHVLXXLM-WDEREUQCSA-N 1 0 268.382 3.305 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccc(F)c1 ZINC000097473084 370242878 /nfs/dbraw/zinc/24/28/78/370242878.db2.gz BMSPBHGTXQQMRM-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000117393224 370589622 /nfs/dbraw/zinc/58/96/22/370589622.db2.gz VPWCRAXUWCXDKG-QWRGUYRKSA-N 1 0 286.422 3.420 20 5 CGBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000117394312 370590246 /nfs/dbraw/zinc/59/02/46/370590246.db2.gz KMHDEDYUBSUPQJ-GXTWGEPZSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132506414 371180680 /nfs/dbraw/zinc/18/06/80/371180680.db2.gz FQOLJFXFLKESRU-GXFFZTMASA-N 1 0 298.433 3.094 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CCCCC1 ZINC000134072725 371301295 /nfs/dbraw/zinc/30/12/95/371301295.db2.gz ODMPKAVOJSNWHQ-ZDUSSCGKSA-N 1 0 292.379 3.249 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@H+](CCc1ccccn1)C1CC1 ZINC000135237291 371404804 /nfs/dbraw/zinc/40/48/04/371404804.db2.gz LEQMHNHTBSFWRV-UHFFFAOYSA-N 1 0 297.358 3.197 20 5 CGBDRO COc1cccc(NCC[NH+](C(C)C)C(C)C)c1[N+](=O)[O-] ZINC000134900957 371373997 /nfs/dbraw/zinc/37/39/97/371373997.db2.gz YTTFOLRKEOBJEO-UHFFFAOYSA-N 1 0 295.383 3.134 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]Cc1ccco1)C1CC1 ZINC000152024941 371667038 /nfs/dbraw/zinc/66/70/38/371667038.db2.gz AMNFNCQXLRVOBP-OAHLLOKOSA-N 1 0 286.331 3.299 20 5 CGBDRO CC[C@@H](CN[C@@H](C)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCC1 ZINC000151707342 371628063 /nfs/dbraw/zinc/62/80/63/371628063.db2.gz NHNRPLDJPAMHEM-ZFWWWQNUSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCSCC1 ZINC000344083854 217042040 /nfs/dbraw/zinc/04/20/40/217042040.db2.gz ZOLQNMRNJOAKMD-LBPRGKRZSA-N 1 0 294.420 3.259 20 5 CGBDRO CC[C@@]1(O)CC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000428431373 372197484 /nfs/dbraw/zinc/19/74/84/372197484.db2.gz SPICHVKVPCAKGB-MRXNPFEDSA-N 1 0 292.379 3.065 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000428452034 372205216 /nfs/dbraw/zinc/20/52/16/372205216.db2.gz IRQVDMVVROQQED-ZIAGYGMSSA-N 1 0 260.337 3.278 20 5 CGBDRO CCOC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000292926813 372251281 /nfs/dbraw/zinc/25/12/81/372251281.db2.gz IRQVNLPOUORXOP-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)cn1 ZINC000161586497 372338128 /nfs/dbraw/zinc/33/81/28/372338128.db2.gz DDTDTFHFLWIAMH-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000162219950 372382081 /nfs/dbraw/zinc/38/20/81/372382081.db2.gz QWEPZISJZHHOIV-BLLLJJGKSA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)(C)OC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000162410272 372393810 /nfs/dbraw/zinc/39/38/10/372393810.db2.gz FKVLMQIJSUWZKT-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO CC(C)[C@@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361060 372364744 /nfs/dbraw/zinc/36/47/44/372364744.db2.gz ZYLMLZFPSNERAX-CJNGLKHVSA-N 1 0 292.379 3.403 20 5 CGBDRO COC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000165915497 372557732 /nfs/dbraw/zinc/55/77/32/372557732.db2.gz BMSABKBAWZCGAT-OCCSQVGLSA-N 1 0 280.368 3.225 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000168450037 372611632 /nfs/dbraw/zinc/61/16/32/372611632.db2.gz FVTFDYULQKZQJA-GFCCVEGCSA-N 1 0 278.352 3.142 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](CO)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000353510469 220127673 /nfs/dbraw/zinc/12/76/73/220127673.db2.gz MLLVXJFNKHGVQZ-ZBFHGGJFSA-N 1 0 292.379 3.044 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H]1CCOC1 ZINC000344820013 217320957 /nfs/dbraw/zinc/32/09/57/217320957.db2.gz WJDNPPUFWSIMTH-KADHNRKRSA-N 1 0 290.363 3.014 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCCO1 ZINC000344849334 217331878 /nfs/dbraw/zinc/33/18/78/217331878.db2.gz KHKHSGOCCCJBAL-OVHOFWQVSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000173424661 373139794 /nfs/dbraw/zinc/13/97/94/373139794.db2.gz BGLZVKLUZNQKNM-SMDDNHRTSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[NH+](CC)CCSCCOc1cccc([N+](=O)[O-])c1 ZINC000174030037 373237367 /nfs/dbraw/zinc/23/73/67/373237367.db2.gz JPMFENFSDGZEKH-UHFFFAOYSA-N 1 0 298.408 3.049 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@@H]1C ZINC000447073232 373401066 /nfs/dbraw/zinc/40/10/66/373401066.db2.gz SNBYMYDLCHPCSN-UONOGXRCSA-N 1 0 291.395 3.212 20 5 CGBDRO CCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447520080 373444196 /nfs/dbraw/zinc/44/41/96/373444196.db2.gz SEDSNVRLWXQDSA-OLZOCXBDSA-N 1 0 280.372 3.055 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CC1CC1 ZINC000175225076 373433979 /nfs/dbraw/zinc/43/39/79/373433979.db2.gz POPCOALSGDXLJF-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[NH2+]C[C@@H](C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000300246184 373621967 /nfs/dbraw/zinc/62/19/67/373621967.db2.gz JUHXASWDLOIKIW-SSDOTTSWSA-N 1 0 292.166 3.169 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC000300636394 373637968 /nfs/dbraw/zinc/63/79/68/373637968.db2.gz LJDOAAHNNWSCDE-STQMWFEESA-N 1 0 298.770 3.151 20 5 CGBDRO CC/C=C\C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449450427 373731522 /nfs/dbraw/zinc/73/15/22/373731522.db2.gz BJKLKBHGTGNMBB-LLPBQKLSSA-N 1 0 262.353 3.472 20 5 CGBDRO CCCC[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC000301381449 373766399 /nfs/dbraw/zinc/76/63/99/373766399.db2.gz UQSWUJUCNOEQMV-UHFFFAOYSA-N 1 0 277.368 3.271 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449733878 373859967 /nfs/dbraw/zinc/85/99/67/373859967.db2.gz KWPOYJOCLNMHBQ-AWEZNQCLSA-N 1 0 299.374 3.327 20 5 CGBDRO COC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000179370204 373862039 /nfs/dbraw/zinc/86/20/39/373862039.db2.gz XOMFWUKVPCJDKY-GFCCVEGCSA-N 1 0 280.368 3.185 20 5 CGBDRO CC(C)(C[NH2+]Cc1cccc([N+](=O)[O-])c1)C1(O)CCCC1 ZINC000449737956 373864412 /nfs/dbraw/zinc/86/44/12/373864412.db2.gz WIRNHTUARJCSEX-UHFFFAOYSA-N 1 0 292.379 3.016 20 5 CGBDRO CC(C)C[C@@H](C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000305973501 374123314 /nfs/dbraw/zinc/12/33/14/374123314.db2.gz QFYJTVDNLINRIU-GFCCVEGCSA-N 1 0 250.342 3.367 20 5 CGBDRO CC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182330380 374258469 /nfs/dbraw/zinc/25/84/69/374258469.db2.gz RHTAPYLLLDJMTL-VIFPVBQESA-N 1 0 256.733 3.479 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc3ccccc3n2)c1 ZINC000314816095 374321710 /nfs/dbraw/zinc/32/17/10/374321710.db2.gz CKKIVWWFEWZNDO-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC2CCC1CC2 ZINC000315558287 374329931 /nfs/dbraw/zinc/32/99/31/374329931.db2.gz QVTIHEYDDYEVIH-KOHJWAIASA-N 1 0 290.363 3.272 20 5 CGBDRO Cc1occc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000320939444 374352504 /nfs/dbraw/zinc/35/25/04/374352504.db2.gz COGWRLBRKAZGPW-SNVBAGLBSA-N 1 0 260.293 3.347 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CC(C)(C)O)cccc1[N+](=O)[O-] ZINC000453328393 374423847 /nfs/dbraw/zinc/42/38/47/374423847.db2.gz TUVPQAJSGHXVQR-JQWIXIFHSA-N 1 0 280.368 3.103 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331544987 374541063 /nfs/dbraw/zinc/54/10/63/374541063.db2.gz SOPHVQSQQZYUBU-QWRGUYRKSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000464813158 374903817 /nfs/dbraw/zinc/90/38/17/374903817.db2.gz HMJNKRSLMYTGGE-OLZOCXBDSA-N 1 0 262.353 3.258 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000468617668 374983209 /nfs/dbraw/zinc/98/32/09/374983209.db2.gz IKJRANDGJXHIQU-SIRQDLBWSA-N 1 0 290.363 3.155 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCO)c1cccc([N+](=O)[O-])c1 ZINC000187992656 375135383 /nfs/dbraw/zinc/13/53/83/375135383.db2.gz IHQQTYSDYHTRSQ-UHOFOFEASA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)[N@H+](CC[C@@H]1CCCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000188879278 375285916 /nfs/dbraw/zinc/28/59/16/375285916.db2.gz GJVPOBDQODVWGC-INIZCTEOSA-N 1 0 292.379 3.374 20 5 CGBDRO CC[C@@H](C)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000492000218 375391351 /nfs/dbraw/zinc/39/13/51/375391351.db2.gz NVVIDYQELBJPOV-LLVKDONJSA-N 1 0 250.342 3.466 20 5 CGBDRO CCOC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000189356032 375374338 /nfs/dbraw/zinc/37/43/38/375374338.db2.gz PAGIDKRPIAYDHN-IUODEOHRSA-N 1 0 280.368 3.307 20 5 CGBDRO CCC1(C)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000507185274 375684597 /nfs/dbraw/zinc/68/45/97/375684597.db2.gz ZRUKPCZZCKHQMC-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO CS[C@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193043181 375818537 /nfs/dbraw/zinc/81/85/37/375818537.db2.gz DFEUENIKRHWINA-YGRLFVJLSA-N 1 0 280.393 3.313 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])CC1CC1 ZINC000193576546 375894928 /nfs/dbraw/zinc/89/49/28/375894928.db2.gz XRXANMPIPLCIEN-UHFFFAOYSA-N 1 0 293.323 3.125 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](C[C@@H]2CCC=CO2)C2CC2)cc1 ZINC000193701895 375912199 /nfs/dbraw/zinc/91/21/99/375912199.db2.gz QDVYUPBJHIUHKZ-INIZCTEOSA-N 1 0 288.347 3.252 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)CC(C)(C)C ZINC000336792645 375941344 /nfs/dbraw/zinc/94/13/44/375941344.db2.gz SWMRXWRERNKRRF-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000195666906 376117238 /nfs/dbraw/zinc/11/72/38/376117238.db2.gz ANHYXAXCQSCWBR-CHWSQXEVSA-N 1 0 277.368 3.127 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956019 376281564 /nfs/dbraw/zinc/28/15/64/376281564.db2.gz HGRWLWMWSYTXGY-GXTWGEPZSA-N 1 0 262.353 3.400 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCN(C)[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000224114073 376272671 /nfs/dbraw/zinc/27/26/71/376272671.db2.gz PXIVNDMNFXNQQC-NOLJZWGESA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CCOCC1 ZINC000227986013 376420924 /nfs/dbraw/zinc/42/09/24/376420924.db2.gz PEJSQXICKBCEIM-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)(C)OCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000540595767 376384459 /nfs/dbraw/zinc/38/44/59/376384459.db2.gz ZCJCYFFOTNTLGE-SOFGYWHQSA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@@H]1CC(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 ZINC000338477815 376387879 /nfs/dbraw/zinc/38/78/79/376387879.db2.gz OJMWWPNCLYILCG-CHWSQXEVSA-N 1 0 292.379 3.278 20 5 CGBDRO CC1(C)SC[C@@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000338477769 376388319 /nfs/dbraw/zinc/38/83/19/376388319.db2.gz QDOVJPUVQOZFEB-VGVVRCBHSA-N 1 0 278.377 3.092 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@@H](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000541389482 376444631 /nfs/dbraw/zinc/44/46/31/376444631.db2.gz KYALGXSUSBVSGR-CYBMUJFWSA-N 1 0 292.379 3.471 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230408637 376513340 /nfs/dbraw/zinc/51/33/40/376513340.db2.gz WVGUURBSYIVATA-IUODEOHRSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230142520 376486876 /nfs/dbraw/zinc/48/68/76/376486876.db2.gz BINPNMYDNZFSNE-NSHDSACASA-N 1 0 299.802 3.068 20 5 CGBDRO Cc1ccc(C[NH2+]C2Cc3ccccc3C2)cc1[N+](=O)[O-] ZINC000231032175 376551124 /nfs/dbraw/zinc/55/11/24/376551124.db2.gz BIGORLODSVCLQW-UHFFFAOYSA-N 1 0 282.343 3.160 20 5 CGBDRO CC(C)(C)[NH2+]CCNc1ccc(Cl)cc1[N+](=O)[O-] ZINC000231675591 376564651 /nfs/dbraw/zinc/56/46/51/376564651.db2.gz YABMUHKWINGOIY-UHFFFAOYSA-N 1 0 271.748 3.048 20 5 CGBDRO C[C@@H]1CCC[C@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000230666419 376528117 /nfs/dbraw/zinc/52/81/17/376528117.db2.gz KQXDMGKOMXOEGA-KOLCDFICSA-N 1 0 254.355 3.182 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCO[C@@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000231884276 376575593 /nfs/dbraw/zinc/57/55/93/376575593.db2.gz QFOWECWXCJSKBY-GDBMZVCRSA-N 1 0 292.379 3.196 20 5 CGBDRO CCc1ncc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)s1 ZINC000231884127 376575622 /nfs/dbraw/zinc/57/56/22/376575622.db2.gz ODJUJTKANYSXOV-UHFFFAOYSA-N 1 0 291.376 3.212 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000236654413 376678696 /nfs/dbraw/zinc/67/86/96/376678696.db2.gz ZLHLZJAAUPMVJQ-CQSZACIVSA-N 1 0 292.379 3.234 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339680874 376805944 /nfs/dbraw/zinc/80/59/44/376805944.db2.gz YGUZGJJXZYVKGU-ZDUSSCGKSA-N 1 0 260.337 3.217 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000340102208 376915473 /nfs/dbraw/zinc/91/54/73/376915473.db2.gz CLKUVFSQYWTHHX-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000245960840 376945231 /nfs/dbraw/zinc/94/52/31/376945231.db2.gz UUYWMEVFGKVORU-VHSXEESVSA-N 1 0 254.355 3.134 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000247089066 377158516 /nfs/dbraw/zinc/15/85/16/377158516.db2.gz RMHMTGNPPLNAQD-UONOGXRCSA-N 1 0 293.411 3.284 20 5 CGBDRO CC1=CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000518580799 249283417 /nfs/dbraw/zinc/28/34/17/249283417.db2.gz NHMLSJNXZJBTNW-CYBMUJFWSA-N 1 0 276.336 3.062 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+]C(C3CC3)C3CC3)c2c1 ZINC000517199479 249258686 /nfs/dbraw/zinc/25/86/86/249258686.db2.gz XCQRXQWKTBJSBZ-UHFFFAOYSA-N 1 0 299.374 3.397 20 5 CGBDRO CC(C)CCOCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000519000126 249291074 /nfs/dbraw/zinc/29/10/74/249291074.db2.gz VRMQTQHTADXMBX-OAHLLOKOSA-N 1 0 292.379 3.234 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@@H]1CCCO1 ZINC000342591046 377677609 /nfs/dbraw/zinc/67/76/09/377677609.db2.gz DFTISGQFBWNHSN-STQMWFEESA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCCC[C@H]1CCO ZINC000342819021 377817353 /nfs/dbraw/zinc/81/73/53/377817353.db2.gz WDJPIORNGWHZSI-HNNXBMFYSA-N 1 0 292.379 3.030 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C2CCC2)o1 ZINC000264374083 377980995 /nfs/dbraw/zinc/98/09/95/377980995.db2.gz DDLYZYPHVDITQF-UHFFFAOYSA-N 1 0 272.304 3.497 20 5 CGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC[C@@H]1CCCO1 ZINC000343476676 377992406 /nfs/dbraw/zinc/99/24/06/377992406.db2.gz VLCJEULYUXDCEL-QZDDGCDVSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1c([C@H](C)NCCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775388 378107568 /nfs/dbraw/zinc/10/75/68/378107568.db2.gz RMJDOLFERWOPEY-AWEZNQCLSA-N 1 0 293.411 3.284 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000271944600 378526015 /nfs/dbraw/zinc/52/60/15/378526015.db2.gz WPPMIXIHYQQIPS-HUBLWGQQSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[N@H+](CC(C)(C)O)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000272299316 378607544 /nfs/dbraw/zinc/60/75/44/378607544.db2.gz IJTFOVGICWDLPU-LBPRGKRZSA-N 1 0 280.368 3.057 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000272519096 378656578 /nfs/dbraw/zinc/65/65/78/378656578.db2.gz XZCWPTXYDIVTHH-RNCFNFMXSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCN(C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000346798751 218017343 /nfs/dbraw/zinc/01/73/43/218017343.db2.gz NKYJPOCDPKZEIY-GUTXKFCHSA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000348331589 378912999 /nfs/dbraw/zinc/91/29/99/378912999.db2.gz VVNBCNQEKQLPBJ-DRZSPHRISA-N 1 0 266.316 3.444 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276654201 378974142 /nfs/dbraw/zinc/97/41/42/378974142.db2.gz MWYFFRPLTMQRDN-ZDUSSCGKSA-N 1 0 294.395 3.495 20 5 CGBDRO Cc1ccc(C[NH+]2CC(C3CCC3)C2)cc1[N+](=O)[O-] ZINC000348710220 379027055 /nfs/dbraw/zinc/02/70/55/379027055.db2.gz NZODCEXJYSRIDA-UHFFFAOYSA-N 1 0 260.337 3.135 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CC(F)(F)C1 ZINC000277627926 379203534 /nfs/dbraw/zinc/20/35/34/379203534.db2.gz KOWPWHRUFQUXAC-UHFFFAOYSA-N 1 0 276.670 3.136 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccon1 ZINC000349832944 379412075 /nfs/dbraw/zinc/41/20/75/379412075.db2.gz KLUCLKIXAPAMIX-VXGBXAGGSA-N 1 0 289.335 3.255 20 5 CGBDRO CC1(C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000279762956 379509127 /nfs/dbraw/zinc/50/91/27/379509127.db2.gz RQABNESZUGQOPZ-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000280543661 379729007 /nfs/dbraw/zinc/72/90/07/379729007.db2.gz STXMIWRAULKXGO-HIFRSBDPSA-N 1 0 292.379 3.029 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000280543658 379729062 /nfs/dbraw/zinc/72/90/62/379729062.db2.gz STXMIWRAULKXGO-DZGCQCFKSA-N 1 0 292.379 3.029 20 5 CGBDRO C[C@H]1CSC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352797189 379966353 /nfs/dbraw/zinc/96/63/53/379966353.db2.gz ICOZGDBOJIBQQP-QPUJVOFHSA-N 1 0 286.784 3.089 20 5 CGBDRO CCSCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000283545261 380072498 /nfs/dbraw/zinc/07/24/98/380072498.db2.gz OSUNCOAZSUWGTQ-NSHDSACASA-N 1 0 268.382 3.389 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1ccc2n[nH]cc2c1 ZINC000353116191 380121767 /nfs/dbraw/zinc/12/17/67/380121767.db2.gz ZXRDYGRONURJQT-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353123510 380127640 /nfs/dbraw/zinc/12/76/40/380127640.db2.gz QAPZLHAYNQLOAV-CQSZACIVSA-N 1 0 293.411 3.113 20 5 CGBDRO COCC1CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000414514752 380288607 /nfs/dbraw/zinc/28/86/07/380288607.db2.gz SIRRKXAGRMXSNY-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H](O)CCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279078504 194274052 /nfs/dbraw/zinc/27/40/52/194274052.db2.gz MKPNNBYSHRLPKN-XHDPSFHLSA-N 1 0 292.379 3.068 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C[C@@H]1CC12CC2)C1CC1 ZINC000417332265 380594435 /nfs/dbraw/zinc/59/44/35/380594435.db2.gz CZRIUHSJAZDSTM-LSDHHAIUSA-N 1 0 286.375 3.306 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1COc2ccccc21 ZINC000288468357 197085918 /nfs/dbraw/zinc/08/59/18/197085918.db2.gz FKWSNCANJWZGMH-AWEZNQCLSA-N 1 0 298.342 3.169 20 5 CGBDRO CC(C)(C)CC[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000355722952 380759695 /nfs/dbraw/zinc/75/96/95/380759695.db2.gz BNLGTTVQMJPSOG-LBPRGKRZSA-N 1 0 298.358 3.011 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000356691916 380825582 /nfs/dbraw/zinc/82/55/82/380825582.db2.gz GYCRATXKWREKKC-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CCc1cccnc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000356833970 380891914 /nfs/dbraw/zinc/89/19/14/380891914.db2.gz BQMIQNUSGVNXTP-LBPRGKRZSA-N 1 0 285.347 3.403 20 5 CGBDRO CC[C@H](C)C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000421386093 380931654 /nfs/dbraw/zinc/93/16/54/380931654.db2.gz RBOCFYFYNUFZFW-RYUDHWBXSA-N 1 0 250.342 3.162 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H](C)C1CCC1 ZINC000357045132 381008886 /nfs/dbraw/zinc/00/88/86/381008886.db2.gz UBWWBGAHDRYDGX-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362923178 382150616 /nfs/dbraw/zinc/15/06/16/382150616.db2.gz IIVOBNKPHQBUQW-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411955087 533019244 /nfs/dbraw/zinc/01/92/44/533019244.db2.gz UHWKVWZVTWQRMW-LRDDRELGSA-N 1 0 292.379 3.196 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000510740419 285111184 /nfs/dbraw/zinc/11/11/84/285111184.db2.gz ZWRINFZWXYDSBZ-HOTGVXAUSA-N 1 0 274.364 3.306 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000094368162 285115073 /nfs/dbraw/zinc/11/50/73/285115073.db2.gz RKTJYPGXHBOYLY-CQSZACIVSA-N 1 0 290.363 3.176 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000301197098 285122915 /nfs/dbraw/zinc/12/29/15/285122915.db2.gz ONYWFPFSRXYZHF-INIZCTEOSA-N 1 0 289.379 3.050 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414202474 285127871 /nfs/dbraw/zinc/12/78/71/285127871.db2.gz MVLLSBLUGHCOQM-WBMJQRKESA-N 1 0 292.379 3.234 20 5 CGBDRO CSC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000433186515 533509215 /nfs/dbraw/zinc/50/92/15/533509215.db2.gz JXBSKFJCTXRARJ-DAXSKMNVSA-N 1 0 292.404 3.483 20 5 CGBDRO CSCCC[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000439480410 533562401 /nfs/dbraw/zinc/56/24/01/533562401.db2.gz XRERBOOUTPCPQA-UHFFFAOYSA-N 1 0 298.408 3.049 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000191646957 130269425 /nfs/dbraw/zinc/26/94/25/130269425.db2.gz JSFUKXKSAZRAHS-SRVKXCTJSA-N 1 0 296.367 3.068 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000252715447 131137605 /nfs/dbraw/zinc/13/76/05/131137605.db2.gz VPEDVKWMNAAQMC-NOLJZWGESA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc(N[C@@H](C)C[C@H](C)O)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000136405472 392477630 /nfs/dbraw/zinc/47/76/30/392477630.db2.gz QTGWFTURGBFXNP-ONGXEEELSA-N 1 0 289.335 3.023 20 5 CGBDRO COCC[C@@H]1CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000372087782 392581921 /nfs/dbraw/zinc/58/19/21/392581921.db2.gz GSEAHLKFIMFFDQ-AWEZNQCLSA-N 1 0 292.379 3.233 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC23CCC3)c([N+](=O)[O-])c1 ZINC000375334098 392768511 /nfs/dbraw/zinc/76/85/11/392768511.db2.gz BNUPIMWLPQXOPT-UHFFFAOYSA-N 1 0 291.307 3.022 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000505800556 392699171 /nfs/dbraw/zinc/69/91/71/392699171.db2.gz CLFDJXFDNICJFT-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCSCC[C@H]1C ZINC000191820330 392835232 /nfs/dbraw/zinc/83/52/32/392835232.db2.gz WCPCOGXMYUWYJT-GFCCVEGCSA-N 1 0 280.393 3.231 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000466910188 393067850 /nfs/dbraw/zinc/06/78/50/393067850.db2.gz DMEQMUUCCULYCT-TZMCWYRMSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@H](O)CCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417330368 393347705 /nfs/dbraw/zinc/34/77/05/393347705.db2.gz KUQCTXDBVDRHHH-LRDDRELGSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429765898 393500605 /nfs/dbraw/zinc/50/06/05/393500605.db2.gz LTUVRWXYYWILNP-IUODEOHRSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NC[C@@H](C)C[NH+](C)C ZINC000489000368 393570612 /nfs/dbraw/zinc/57/06/12/393570612.db2.gz GGSIIFUDYGTBIH-SECBINFHSA-N 1 0 285.775 3.166 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000502866140 393885885 /nfs/dbraw/zinc/88/58/85/393885885.db2.gz NBPSOIPDKCWVSL-JQWIXIFHSA-N 1 0 289.335 3.404 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](C2CC2)C2CCC2)c1 ZINC000453178294 394197107 /nfs/dbraw/zinc/19/71/07/394197107.db2.gz NTSCHJRVPIZMSO-MRXNPFEDSA-N 1 0 274.364 3.306 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294834058 292076516 /nfs/dbraw/zinc/07/65/16/292076516.db2.gz RJLXOKSDNGWWCS-WDEREUQCSA-N 1 0 295.383 3.031 20 5 CGBDRO C[C@@H](Cc1ccsc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049181936 286919517 /nfs/dbraw/zinc/91/95/17/286919517.db2.gz YYVPBWIPIKVXCG-LBPRGKRZSA-N 1 0 290.388 3.420 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000062726128 286960751 /nfs/dbraw/zinc/96/07/51/286960751.db2.gz KLKKPASBNXBIMK-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C1CCCC1 ZINC000090359836 165232198 /nfs/dbraw/zinc/23/21/98/165232198.db2.gz UISVDHAFDHSNPE-JTQLQIEISA-N 1 0 293.323 3.171 20 5 CGBDRO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093502055 287117076 /nfs/dbraw/zinc/11/70/76/287117076.db2.gz HNNTWYCVSLFPLH-HZRUHFOJSA-N 1 0 292.404 3.435 20 5 CGBDRO C[C@@H]([NH2+]CCCCCF)c1cccc([N+](=O)[O-])c1 ZINC000284237565 196010518 /nfs/dbraw/zinc/01/05/18/196010518.db2.gz VLBDCJUVNKUKLX-LLVKDONJSA-N 1 0 254.305 3.385 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C1CC1 ZINC000035732742 172383833 /nfs/dbraw/zinc/38/38/33/172383833.db2.gz FLXSYDWGEXHYLK-MRVPVSSYSA-N 1 0 254.717 3.136 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H]1CCSC1 ZINC000037174781 173009897 /nfs/dbraw/zinc/00/98/97/173009897.db2.gz GLMCKDPVZNAUPO-SNVBAGLBSA-N 1 0 286.784 3.186 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cc1 ZINC000037176896 173010801 /nfs/dbraw/zinc/01/08/01/173010801.db2.gz DDUYBUDYAONRDI-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc(O)cc1)c1cccc([N+](=O)[O-])c1 ZINC000040735749 174389318 /nfs/dbraw/zinc/38/93/18/174389318.db2.gz NMXZHXDJPCYQFG-GFCCVEGCSA-N 1 0 286.331 3.194 20 5 CGBDRO C[C@@H](CC[NH+](C)C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000049558533 175487686 /nfs/dbraw/zinc/48/76/86/175487686.db2.gz MPFUNXXLSRLQFV-VIFPVBQESA-N 1 0 271.748 3.000 20 5 CGBDRO CCOC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000188860357 287562940 /nfs/dbraw/zinc/56/29/40/287562940.db2.gz DILSPCQGFCIGCE-HEWZJLJBSA-N 1 0 292.379 3.259 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000185637996 270063596 /nfs/dbraw/zinc/06/35/96/270063596.db2.gz NJHLZAGBAKXBAD-MFKMUULPSA-N 1 0 266.316 3.354 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000191295328 270074738 /nfs/dbraw/zinc/07/47/38/270074738.db2.gz UYYMKDYQZQQRSS-ZDUSSCGKSA-N 1 0 266.316 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)C2CCC2)c(F)c1 ZINC000324994202 270094752 /nfs/dbraw/zinc/09/47/52/270094752.db2.gz WOZFBBVIRIBJGT-HNNXBMFYSA-N 1 0 278.327 3.402 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000525275364 270118673 /nfs/dbraw/zinc/11/86/73/270118673.db2.gz XVWJTYBUETVAIV-OAHLLOKOSA-N 1 0 292.379 3.484 20 5 CGBDRO CC(C)[NH+]1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000020526250 273529399 /nfs/dbraw/zinc/52/93/99/273529399.db2.gz VYUDNSZMAFGFEV-ZDUSSCGKSA-N 1 0 291.395 3.118 20 5 CGBDRO CC1(C)C[C@H]([NH2+]C2CCOCC2)c2cc([N+](=O)[O-])ccc21 ZINC000278989224 273588832 /nfs/dbraw/zinc/58/88/32/273588832.db2.gz DOXRYBMRLAVOLK-HNNXBMFYSA-N 1 0 290.363 3.086 20 5 CGBDRO C[NH+](C)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000277005142 273816452 /nfs/dbraw/zinc/81/64/52/273816452.db2.gz ILZBIOZTCWZENO-NSHDSACASA-N 1 0 297.786 3.169 20 5 CGBDRO CCC[N@@H+](Cc1c([N+](=O)[O-])ncn1C)CC1CCCCC1 ZINC000355542179 276001095 /nfs/dbraw/zinc/00/10/95/276001095.db2.gz KAPVHPUBPVYBLC-UHFFFAOYSA-N 1 0 294.399 3.121 20 5 CGBDRO CC[NH+](CC)C[C@@H]1CCN(c2ccc(C)cc2[N+](=O)[O-])C1 ZINC000269883617 276106597 /nfs/dbraw/zinc/10/65/97/276106597.db2.gz AQGCOLFPKOGTAP-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO CCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000020092020 276187212 /nfs/dbraw/zinc/18/72/12/276187212.db2.gz ZWWVKQMWDQDUAN-ZFWWWQNUSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[NH2+]CC1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC000233508051 276264358 /nfs/dbraw/zinc/26/43/58/276264358.db2.gz PJDLAEMBQDJPCZ-UHFFFAOYSA-N 1 0 297.786 3.074 20 5 CGBDRO CC[NH+](CC)CCCNCc1cc([N+](=O)[O-])ccc1Cl ZINC000035368124 276325576 /nfs/dbraw/zinc/32/55/76/276325576.db2.gz DRJZCNKGANFHFS-UHFFFAOYSA-N 1 0 299.802 3.070 20 5 CGBDRO CC(C)c1ccc(CN(C)C2(C[NH3+])CCC2)cc1[N+](=O)[O-] ZINC000414778141 278035433 /nfs/dbraw/zinc/03/54/33/278035433.db2.gz GIONYTRBFQGACO-UHFFFAOYSA-N 1 0 291.395 3.031 20 5 CGBDRO Cc1cc(C)c(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000397055537 288020820 /nfs/dbraw/zinc/02/08/20/288020820.db2.gz MLXZZMIJUHCLHF-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000459778485 278272247 /nfs/dbraw/zinc/27/22/47/278272247.db2.gz LSUOAQIJAUYYPV-MMMKDXCPSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268925243 278373785 /nfs/dbraw/zinc/37/37/85/278373785.db2.gz ALCZEMFNJGBYAY-TZMCWYRMSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000271961615 279497302 /nfs/dbraw/zinc/49/73/02/279497302.db2.gz RGTLWKYMHWQNAL-SLEUVZQESA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000182662814 281019792 /nfs/dbraw/zinc/01/97/92/281019792.db2.gz AKJYZTBPUOEGGE-OCCSQVGLSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000531723062 288343109 /nfs/dbraw/zinc/34/31/09/288343109.db2.gz MPCSOXFLCBVTHB-KCQAQPDRSA-N 1 0 292.379 3.105 20 5 CGBDRO CS[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000540151656 288647034 /nfs/dbraw/zinc/64/70/34/288647034.db2.gz UCTGSGYSWUAGQF-MNOVXSKESA-N 1 0 268.382 3.305 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000540219236 288651422 /nfs/dbraw/zinc/65/14/22/288651422.db2.gz AULAVKJWUHUBKP-SNPRPXQTSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1Cc2ccccc2C1 ZINC000553457215 289225111 /nfs/dbraw/zinc/22/51/11/289225111.db2.gz MZXBKULKVFNJGC-UHFFFAOYSA-N 1 0 282.343 3.099 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000554346303 289272691 /nfs/dbraw/zinc/27/26/91/289272691.db2.gz ZGTNSESSSUZKNO-LKTVYLICSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H]([NH2+][C@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282943543 290060707 /nfs/dbraw/zinc/06/07/07/290060707.db2.gz BKUJPVJEICSGMH-CABZTGNLSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000449252321 298919411 /nfs/dbraw/zinc/91/94/11/298919411.db2.gz QGBAORUGOUYRKC-WWGRRREGSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2(C)C)cc1[N+](=O)[O-] ZINC000296599645 301711607 /nfs/dbraw/zinc/71/16/07/301711607.db2.gz VMHJAFCPZKGDRR-RISCZKNCSA-N 1 0 278.352 3.121 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000388236928 327857360 /nfs/dbraw/zinc/85/73/60/327857360.db2.gz PBUFEDRVCPMQQJ-XPTSAGLGSA-N 1 0 298.770 3.151 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000161622773 321871145 /nfs/dbraw/zinc/87/11/45/321871145.db2.gz VPSUNYRQAOOAFV-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@@H]1CC=CCC1 ZINC000563637192 322005112 /nfs/dbraw/zinc/00/51/12/322005112.db2.gz MRMYJJWVCWHKNI-BXUZGUMPSA-N 1 0 258.321 3.280 20 5 CGBDRO CSC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563819290 322011530 /nfs/dbraw/zinc/01/15/30/322011530.db2.gz GLPVXEUGARUHHV-GFCCVEGCSA-N 1 0 278.377 3.067 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1ccc(O)cc1 ZINC000566805630 322138908 /nfs/dbraw/zinc/13/89/08/322138908.db2.gz JLSVIBXCTUHTRZ-INIZCTEOSA-N 1 0 298.342 3.120 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000568436736 322208973 /nfs/dbraw/zinc/20/89/73/322208973.db2.gz AUNHVXVDSRHQFD-WANXEPPHSA-N 1 0 278.327 3.478 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000568717299 322219475 /nfs/dbraw/zinc/21/94/75/322219475.db2.gz XHWVLZORWFEMRM-MBNYWOFBSA-N 1 0 278.352 3.121 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000394034654 329095503 /nfs/dbraw/zinc/09/55/03/329095503.db2.gz NKIOJKGUDXDLQV-GOEBONIOSA-N 1 0 294.395 3.290 20 5 CGBDRO Cc1cccc(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])n1 ZINC000583749546 329472610 /nfs/dbraw/zinc/47/26/10/329472610.db2.gz AVDAPWRMTDYKBH-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO CCOc1cc(C[NH+]2C[C@@H]3CCC[C@H]3C2)ccc1[N+](=O)[O-] ZINC000576089686 335151674 /nfs/dbraw/zinc/15/16/74/335151674.db2.gz JUESCIULNNBJAW-KBPBESRZSA-N 1 0 290.363 3.225 20 5 CGBDRO CCOC[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000576240069 335176587 /nfs/dbraw/zinc/17/65/87/335176587.db2.gz RDNCHTIMJMCDQF-HUUCEWRRSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(CCO)CC1 ZINC000576609407 335226079 /nfs/dbraw/zinc/22/60/79/335226079.db2.gz QYJUYQVVXHSYOK-ZDUSSCGKSA-N 1 0 292.379 3.059 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](C)C1 ZINC000171696744 534095325 /nfs/dbraw/zinc/09/53/25/534095325.db2.gz CYMQGKSDNCSLPS-MNOVXSKESA-N 1 0 266.366 3.093 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCOCC1CC1 ZINC000158620311 534095467 /nfs/dbraw/zinc/09/54/67/534095467.db2.gz CKNPGTSYJXKYHN-LBPRGKRZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCSC1 ZINC000449181488 534253956 /nfs/dbraw/zinc/25/39/56/534253956.db2.gz HRQDPDUKNWMDLJ-AAEUAGOBSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CCCC2 ZINC000449287653 534254167 /nfs/dbraw/zinc/25/41/67/534254167.db2.gz XHDNMQAXUPHGKA-WFASDCNBSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCS1 ZINC000449191134 534254231 /nfs/dbraw/zinc/25/42/31/534254231.db2.gz PDZCHSJDIWMKCV-WFASDCNBSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1COc2ccccc21 ZINC000449137599 534254233 /nfs/dbraw/zinc/25/42/33/534254233.db2.gz YNWKHCHWYDHGCP-SWLSCSKDSA-N 1 0 298.342 3.249 20 5 CGBDRO CC1CCC([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000062726172 520954674 /nfs/dbraw/zinc/95/46/74/520954674.db2.gz FTQOYPIMRGZROK-UHFFFAOYSA-N 1 0 262.353 3.306 20 5 CGBDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161202628 521602394 /nfs/dbraw/zinc/60/23/94/521602394.db2.gz XATXJABEOLYQLL-BBRMVZONSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)OCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449234343 527931036 /nfs/dbraw/zinc/93/10/36/527931036.db2.gz POSVVXPEZGVZMH-CQSZACIVSA-N 1 0 294.395 3.321 20 5 CGBDRO CCOC[C@H]([NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-])C(C)C ZINC000449280691 528995516 /nfs/dbraw/zinc/99/55/16/528995516.db2.gz YGMRKQSNQIWOST-HIFRSBDPSA-N 1 0 294.395 3.177 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178434257 529178809 /nfs/dbraw/zinc/17/88/09/529178809.db2.gz AZAUGNMLCOVMBP-HUUCEWRRSA-N 1 0 294.395 3.433 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000452029105 535753672 /nfs/dbraw/zinc/75/36/72/535753672.db2.gz XUPCJLAULAIVDU-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000479403755 536680843 /nfs/dbraw/zinc/68/08/43/536680843.db2.gz AOPYJQVMCXGDLY-UHFFFAOYSA-N 1 0 296.342 3.173 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000748261427 571675260 /nfs/dbraw/zinc/67/52/60/571675260.db2.gz FQPWALUOJCBFSE-GFCCVEGCSA-N 1 0 290.367 3.270 20 5 CGBDRO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000748820780 572986321 /nfs/dbraw/zinc/98/63/21/572986321.db2.gz UCXPCBCIEBVWIN-ZDUSSCGKSA-N 1 0 286.331 3.152 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH+]2C3CCCC2CCC3)c1 ZINC000750079748 573080802 /nfs/dbraw/zinc/08/08/02/573080802.db2.gz TYQLMJZPTXMTMH-ZBCRRDGASA-N 1 0 290.363 3.035 20 5 CGBDRO Cc1c(C[N@H+]2CCCSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000934303481 618583400 /nfs/dbraw/zinc/58/34/00/618583400.db2.gz NNFDIRAWDUKYDZ-NSHDSACASA-N 1 0 280.393 3.231 20 5 CGBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000158656460 618647403 /nfs/dbraw/zinc/64/74/03/618647403.db2.gz FINBKVZJZIZWAL-HUBLWGQQSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)C[NH+](CC(C)C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000062350940 618809015 /nfs/dbraw/zinc/80/90/15/618809015.db2.gz QEWTYYRNYYLCKO-INIZCTEOSA-N 1 0 294.395 3.242 20 5 CGBDRO CSC1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000235278550 619300911 /nfs/dbraw/zinc/30/09/11/619300911.db2.gz SZORJAMEQUJZKO-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO C[NH+](C)CC[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895324307 619805679 /nfs/dbraw/zinc/80/56/79/619805679.db2.gz GHBAYGHIWRZREF-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000897794852 620432974 /nfs/dbraw/zinc/43/29/74/620432974.db2.gz ZWAVPBKBLYVRGK-CYBMUJFWSA-N 1 0 294.420 3.401 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000897797734 620433529 /nfs/dbraw/zinc/43/35/29/620433529.db2.gz KTXUDEPEYCEFAX-NSHDSACASA-N 1 0 298.383 3.498 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@@H]4CCC[C@H]34)nc2c1 ZINC000897958071 620455986 /nfs/dbraw/zinc/45/59/86/620455986.db2.gz GZHQZQSFBFTUPA-ZMLRMANQSA-N 1 0 287.319 3.014 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC[C@@H](C)F)cc([N+](=O)[O-])c1 ZINC000903176927 621614196 /nfs/dbraw/zinc/61/41/96/621614196.db2.gz GNTFFVJOOMPJAM-ZJUUUORDSA-N 1 0 270.304 3.002 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCC(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903212535 621631253 /nfs/dbraw/zinc/63/12/53/621631253.db2.gz MJWKCFPNVOPXCI-NSHDSACASA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])no1 ZINC000903245218 621637125 /nfs/dbraw/zinc/63/71/25/621637125.db2.gz KKRMTKNQZKZUJJ-ZYHUDNBSSA-N 1 0 289.335 3.346 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000903331823 621706420 /nfs/dbraw/zinc/70/64/20/621706420.db2.gz NZNINONSWCKYFI-UWVGGRQHSA-N 1 0 284.331 3.198 20 5 CGBDRO CN(C)C(=O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000060844060 623075080 /nfs/dbraw/zinc/07/50/80/623075080.db2.gz BXCOLFYJIALHEH-UHFFFAOYSA-N 1 0 292.382 3.171 20 5 CGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000173386641 623320770 /nfs/dbraw/zinc/32/07/70/623320770.db2.gz RSKQROZUWXMRCG-FZMZJTMJSA-N 1 0 294.399 3.266 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774321 623438663 /nfs/dbraw/zinc/43/86/63/623438663.db2.gz BDBSEWYQLXOHMR-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C[NH+](C)C ZINC000312592040 623547216 /nfs/dbraw/zinc/54/72/16/623547216.db2.gz XCCONKNOUZLTHP-SECBINFHSA-N 1 0 287.310 3.142 20 5 CGBDRO C[C@H](C1CC1)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000174833784 624240119 /nfs/dbraw/zinc/24/01/19/624240119.db2.gz FPFVWLUIQVTYDI-SECBINFHSA-N 1 0 268.744 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1NCCC[NH+]1CCCC1 ZINC000124774937 634506207 /nfs/dbraw/zinc/50/62/07/634506207.db2.gz IYNQVUQKHZIKHG-UHFFFAOYSA-N 1 0 283.759 3.146 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000754516791 626573946 /nfs/dbraw/zinc/57/39/46/626573946.db2.gz RHEMBWJTPLGMPC-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCCCO1 ZINC000761505140 627046855 /nfs/dbraw/zinc/04/68/55/627046855.db2.gz GMMLKPGTEZRSFO-GFCCVEGCSA-N 1 0 298.770 3.249 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCN2CCC[C@@H]2C)cc1[N+](=O)[O-] ZINC000766273166 627309590 /nfs/dbraw/zinc/30/95/90/627309590.db2.gz NYOXJXKSOBSQLQ-KBPBESRZSA-N 1 0 291.395 3.038 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774833317 628035803 /nfs/dbraw/zinc/03/58/03/628035803.db2.gz RNLMHIVEDBJKOY-QMTHXVAHSA-N 1 0 298.770 3.153 20 5 CGBDRO CCCCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000776025425 628159805 /nfs/dbraw/zinc/15/98/05/628159805.db2.gz VFACTSGQQFVCCY-CQSZACIVSA-N 1 0 296.415 3.376 20 5 CGBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1OC ZINC000776252542 628184632 /nfs/dbraw/zinc/18/46/32/628184632.db2.gz FPZPNUPKSPJBDR-GJZGRUSLSA-N 1 0 292.379 3.278 20 5 CGBDRO CCC(CC)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776581348 628221044 /nfs/dbraw/zinc/22/10/44/628221044.db2.gz HOJPRFKDVBCQGI-MRXNPFEDSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)C1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788608407 629069133 /nfs/dbraw/zinc/06/91/33/629069133.db2.gz NVWGQUICQJDCCI-QWRGUYRKSA-N 1 0 277.368 3.406 20 5 CGBDRO CCC[C@@H](CC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647828 629070606 /nfs/dbraw/zinc/07/06/06/629070606.db2.gz NERRIHBEMXRLIW-ZYHUDNBSSA-N 1 0 265.357 3.406 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776655 630677056 /nfs/dbraw/zinc/67/70/56/630677056.db2.gz LRUWIYNJMVZLFV-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](C3CC3)C2)cc1F ZINC000808778151 630677132 /nfs/dbraw/zinc/67/71/32/630677132.db2.gz NZDVRTLWTIHAOT-ZDUSSCGKSA-N 1 0 278.327 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(CCO)CCCC2)cc1Cl ZINC000809692220 630784398 /nfs/dbraw/zinc/78/43/98/630784398.db2.gz QUKGFZMCVFVFNQ-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO [NH3+]CCN(C/C=C\c1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000809734562 630795311 /nfs/dbraw/zinc/79/53/11/630795311.db2.gz HQBGNZVDWCHVDD-DAXSKMNVSA-N 1 0 297.358 3.073 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818356718 632313524 /nfs/dbraw/zinc/31/35/24/632313524.db2.gz QDPSRDZAZFYQJI-LJWDBELGSA-N 1 0 275.352 3.016 20 5 CGBDRO CC(C)CC(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819139100 632386393 /nfs/dbraw/zinc/38/63/93/632386393.db2.gz AUNXYXRKAZCZFG-HNNXBMFYSA-N 1 0 294.395 3.290 20 5 CGBDRO C[C@H](CCc1cccnc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000866288888 633066714 /nfs/dbraw/zinc/06/67/14/633066714.db2.gz AGHOAAAWDUXYFH-CYBMUJFWSA-N 1 0 285.347 3.101 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCSC1 ZINC000866352270 633094560 /nfs/dbraw/zinc/09/45/60/633094560.db2.gz OXEVAHUQZDAAHO-WDEREUQCSA-N 1 0 298.383 3.008 20 5 CGBDRO Cc1ccoc1C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866364835 633102195 /nfs/dbraw/zinc/10/21/95/633102195.db2.gz QGNUSXWFLOZCOI-LLVKDONJSA-N 1 0 292.310 3.356 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866479558 633151745 /nfs/dbraw/zinc/15/17/45/633151745.db2.gz WOCLFBLFUQNWSF-SNVBAGLBSA-N 1 0 292.310 3.356 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2ccnn2C)cccc1[N+](=O)[O-] ZINC000866613105 633213992 /nfs/dbraw/zinc/21/39/92/633213992.db2.gz QJQJOLJVCTYSFE-NEPJUHHUSA-N 1 0 288.351 3.049 20 5 CGBDRO CC(F)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000824482777 633250760 /nfs/dbraw/zinc/25/07/60/633250760.db2.gz DNUWBDOXQNCGAS-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122566946 633441150 /nfs/dbraw/zinc/44/11/50/633441150.db2.gz HVVMFKWFDSDWQX-HOTGVXAUSA-N 1 0 294.395 3.433 20 5 CGBDRO COCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872021310 633942051 /nfs/dbraw/zinc/94/20/51/633942051.db2.gz BDBHMCUNRZHCJS-NSHDSACASA-N 1 0 298.408 3.394 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872033618 633951929 /nfs/dbraw/zinc/95/19/29/633951929.db2.gz CPTOWEOYWVGVEN-YGRLFVJLSA-N 1 0 298.358 3.182 20 5 CGBDRO CSC[C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037309 633956479 /nfs/dbraw/zinc/95/64/79/633956479.db2.gz DIGXOZYXSULEKL-DTWKUNHWSA-N 1 0 272.345 3.136 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037312 633956964 /nfs/dbraw/zinc/95/69/64/633956964.db2.gz DIGXOZYXSULEKL-RKDXNWHRSA-N 1 0 272.345 3.136 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040837 633962228 /nfs/dbraw/zinc/96/22/28/633962228.db2.gz CRJVNDBHKPDTII-UWVGGRQHSA-N 1 0 284.356 3.280 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)(C)C ZINC000872041487 633962856 /nfs/dbraw/zinc/96/28/56/633962856.db2.gz TUYNIDVEIGDYTN-GXFFZTMASA-N 1 0 298.358 3.446 20 5 CGBDRO C[C@@H]([NH2+]CC1(C)CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872048888 633972372 /nfs/dbraw/zinc/97/23/72/633972372.db2.gz NPODBAJDYXSZOO-LLVKDONJSA-N 1 0 296.342 3.201 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000872053892 633976815 /nfs/dbraw/zinc/97/68/15/633976815.db2.gz NOAAHDMHBLKGND-NFAWXSAZSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080441 634004504 /nfs/dbraw/zinc/00/45/04/634004504.db2.gz XMAFLHXJNDDLMZ-DDHJBXDOSA-N 1 0 296.342 3.198 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872086786 634013446 /nfs/dbraw/zinc/01/34/46/634013446.db2.gz ZJUFYWGXZVJEOH-GRYCIOLGSA-N 1 0 296.342 3.342 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872129497 634050136 /nfs/dbraw/zinc/05/01/36/634050136.db2.gz DNGLGGDBRAEJKH-AGIUHOORSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000872129807 634051566 /nfs/dbraw/zinc/05/15/66/634051566.db2.gz UZRXQUNVUNNYPZ-HONMWMINSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC(C)(C)CO ZINC000873062223 634240066 /nfs/dbraw/zinc/24/00/66/634240066.db2.gz YXCHAMGHCWRQCS-UHFFFAOYSA-N 1 0 294.395 3.100 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H](CCO)CC(C)C)cccc1[N+](=O)[O-] ZINC000873066482 634240407 /nfs/dbraw/zinc/24/04/07/634240407.db2.gz YJBRNMUNSGXQJP-AWEZNQCLSA-N 1 0 294.395 3.038 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)c2ccc[nH]2)cccc1[N+](=O)[O-] ZINC000873097370 634245169 /nfs/dbraw/zinc/24/51/69/634245169.db2.gz OYDVBYNTNPQYOB-NSHDSACASA-N 1 0 259.309 3.082 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000873099020 634246444 /nfs/dbraw/zinc/24/64/44/634246444.db2.gz RCMFWIHFJWFUHA-GXTWGEPZSA-N 1 0 292.379 3.116 20 5 CGBDRO COC1(CC[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCC1 ZINC000873128592 634251622 /nfs/dbraw/zinc/25/16/22/634251622.db2.gz WGWURFNTBWLBKZ-UHFFFAOYSA-N 1 0 292.379 3.260 20 5 CGBDRO CC[C@H](COCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873134410 634253948 /nfs/dbraw/zinc/25/39/48/634253948.db2.gz MXIFQHJCNDJMNK-OAHLLOKOSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1c(C[NH2+]CC(C)(C)OCC2CC2)cccc1[N+](=O)[O-] ZINC000873132015 634254264 /nfs/dbraw/zinc/25/42/64/634254264.db2.gz COAAYJLCMAPTGI-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCCOC1 ZINC000873140573 634257357 /nfs/dbraw/zinc/25/73/57/634257357.db2.gz QRELKZVUMWLHRG-AWEZNQCLSA-N 1 0 292.379 3.118 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000873183357 634273337 /nfs/dbraw/zinc/27/33/37/634273337.db2.gz HXZQLBPQESKQDP-RWMBFGLXSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000878356257 635472631 /nfs/dbraw/zinc/47/26/31/635472631.db2.gz SKKDIKOTZNKSGJ-IUODEOHRSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CF)C1 ZINC000880232111 635944116 /nfs/dbraw/zinc/94/41/16/635944116.db2.gz GXLTUGSHVZIFNL-VXGBXAGGSA-N 1 0 266.316 3.337 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530270 636591098 /nfs/dbraw/zinc/59/10/98/636591098.db2.gz XTYJXSKGRXZGTO-WDMOLILDSA-N 1 0 292.404 3.456 20 5 CGBDRO C[C@@H]([NH2+]C1CCC2(COC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000883378644 636721004 /nfs/dbraw/zinc/72/10/04/636721004.db2.gz TYDYULZUEOVPNX-GFCCVEGCSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850528294 637106740 /nfs/dbraw/zinc/10/67/40/637106740.db2.gz GSEYNIRSGBWRTF-GOPGUHFVSA-N 1 0 298.342 3.424 20 5 CGBDRO C[C@H](C[N@H+](C)Cc1cccnc1[N+](=O)[O-])c1ccccc1 ZINC000885982161 637341339 /nfs/dbraw/zinc/34/13/39/637341339.db2.gz WOMOICGKLDQVDM-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886018535 637367203 /nfs/dbraw/zinc/36/72/03/637367203.db2.gz BXUYYDHLURWGFU-NEPJUHHUSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000886109564 637418198 /nfs/dbraw/zinc/41/81/98/637418198.db2.gz NWKWFWYMIOPAKO-KNXALSJPSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])[C@H]1CCCC[C@@H]1C ZINC000886158094 637441290 /nfs/dbraw/zinc/44/12/90/637441290.db2.gz RFSKDAAKIXVIDI-JSGCOSHPSA-N 1 0 277.368 3.390 20 5 CGBDRO C[N@H+](Cc1cccnc1[N+](=O)[O-])[C@@H]1CCC(C)(C)C1 ZINC000886183842 637451346 /nfs/dbraw/zinc/45/13/46/637451346.db2.gz OEXLCVIKXUOGJY-GFCCVEGCSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886716412 637669248 /nfs/dbraw/zinc/66/92/48/637669248.db2.gz YAOPWNTUPHCECV-DOMZBBRYSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000886716119 637669413 /nfs/dbraw/zinc/66/94/13/637669413.db2.gz OPGFWEYADBSOLY-SWLSCSKDSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]1CN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H](C)[N@H+]1C ZINC000853648412 637881925 /nfs/dbraw/zinc/88/19/25/637881925.db2.gz RXTZLQBVSQLDMJ-AOOOYVTPSA-N 1 0 299.321 3.061 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000926272347 638757974 /nfs/dbraw/zinc/75/79/74/638757974.db2.gz WNHYCEFVXXFFTN-HUUCEWRRSA-N 1 0 292.379 3.054 20 5 CGBDRO CC(C)OC1CC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000926893149 638822121 /nfs/dbraw/zinc/82/21/21/638822121.db2.gz QKYCGEROOGHYQY-NUYPLMSZSA-N 1 0 278.352 3.201 20 5 CGBDRO C[C@@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932921070 639400168 /nfs/dbraw/zinc/40/01/68/639400168.db2.gz WLUIGIWHFYWYOG-LBPRGKRZSA-N 1 0 288.800 3.075 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC=CO2)c(Cl)c1 ZINC000189554109 640199239 /nfs/dbraw/zinc/19/92/39/640199239.db2.gz GQRJKGNFHATFOC-LBPRGKRZSA-N 1 0 282.727 3.031 20 5 CGBDRO CCC[NH+](CCC)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000193837986 640498576 /nfs/dbraw/zinc/49/85/76/640498576.db2.gz FJWQIHIEIQGBQJ-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440079 640605723 /nfs/dbraw/zinc/60/57/23/640605723.db2.gz WTANDGMVPDROHS-LLVKDONJSA-N 1 0 299.802 3.068 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC1CC1 ZINC000094774652 640802690 /nfs/dbraw/zinc/80/26/90/640802690.db2.gz IDDWRKLCDZLSNZ-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]1[C@@H]([NH3+])CCCN1c1ccc2ccc3cccnc3c2n1 ZINC001157731711 805857589 /nfs/dbraw/zinc/85/75/89/805857589.db2.gz FFAVYBOFFFYFPO-WFASDCNBSA-N 1 0 292.386 3.099 20 5 CGBDRO O=[N+]([O-])c1ccc(F)c(Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC001159615224 806131908 /nfs/dbraw/zinc/13/19/08/806131908.db2.gz ACLTVVTVCJSUMG-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO O=[N+]([O-])c1ccccc1Nc1ccccc1O[C@@H]1CC[NH2+]C1 ZINC001160167195 806231071 /nfs/dbraw/zinc/23/10/71/806231071.db2.gz PFDZXWZQMOFNAK-GFCCVEGCSA-N 1 0 299.330 3.079 20 5 CGBDRO CCC[C@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540157 806446600 /nfs/dbraw/zinc/44/66/00/806446600.db2.gz PFUFGLSWSHLUKZ-RYUDHWBXSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(F)C1 ZINC001254553779 806449549 /nfs/dbraw/zinc/44/95/49/806449549.db2.gz YXXCTCVPKRZBLI-WFASDCNBSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])N1CCn2cccc2[C@@H]1C ZINC001254560486 806451272 /nfs/dbraw/zinc/45/12/72/806451272.db2.gz UCXYPJACBUPRQN-KBPBESRZSA-N 1 0 299.374 3.404 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCC13CCC3)C2 ZINC001254596836 806457063 /nfs/dbraw/zinc/45/70/63/806457063.db2.gz GCTGDRZGBQVFKT-GOEBONIOSA-N 1 0 286.375 3.374 20 5 CGBDRO CC1CCC([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568451 806452686 /nfs/dbraw/zinc/45/26/86/806452686.db2.gz GBJQDXCAKRAFLZ-WDIPEOLASA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CCCCCC1)C2 ZINC001254567953 806453217 /nfs/dbraw/zinc/45/32/17/806453217.db2.gz DFRUFHYUGGWXSN-OAHLLOKOSA-N 1 0 274.364 3.374 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)C1CCCC1 ZINC001254573536 806454420 /nfs/dbraw/zinc/45/44/20/806454420.db2.gz BNNFHYGZVOVWMW-NHYWBVRUSA-N 1 0 274.364 3.230 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576559 806454806 /nfs/dbraw/zinc/45/48/06/806454806.db2.gz XOJPVASHGLLVTC-GOEBONIOSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC13CCCCC3)C2 ZINC001254593374 806456868 /nfs/dbraw/zinc/45/68/68/806456868.db2.gz LQVNZBJGQPQQOI-MRXNPFEDSA-N 1 0 286.375 3.471 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@@H](C(F)F)C1)C2 ZINC001254602975 806458122 /nfs/dbraw/zinc/45/81/22/806458122.db2.gz JKHPPQLTCVCGDQ-RISCZKNCSA-N 1 0 296.317 3.039 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602634 806458473 /nfs/dbraw/zinc/45/84/73/806458473.db2.gz HFFYRLIPVXXXDB-HOCLYGCPSA-N 1 0 274.364 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCC[C@H](C(F)F)C1)C2 ZINC001254602974 806458769 /nfs/dbraw/zinc/45/87/69/806458769.db2.gz JKHPPQLTCVCGDQ-FZMZJTMJSA-N 1 0 296.317 3.039 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601370 806459149 /nfs/dbraw/zinc/45/91/49/806459149.db2.gz YTWPFAZDVIDYGZ-MLGOLLRUSA-N 1 0 274.364 3.327 20 5 CGBDRO Cc1cc(NC[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001162216173 806529229 /nfs/dbraw/zinc/52/92/29/806529229.db2.gz JRDCBMIPIKDXKP-NSHDSACASA-N 1 0 297.424 3.499 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NC[C@@H]2CCC[NH2+]C[C@H]2C)c1F ZINC001162467684 806592980 /nfs/dbraw/zinc/59/29/80/806592980.db2.gz RTEJBCCPGYSGCX-NEPJUHHUSA-N 1 0 295.358 3.090 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC001162476063 806593833 /nfs/dbraw/zinc/59/38/33/806593833.db2.gz KXENEAJYBVPUSG-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO CCCC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037403780 798868201 /nfs/dbraw/zinc/86/82/01/798868201.db2.gz NKVWJAWGHJSSLN-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]Cc1ccccc1C ZINC000037855409 798876093 /nfs/dbraw/zinc/87/60/93/798876093.db2.gz HSSOHXYIVHJXTC-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO Cc1c(C[NH2+]C[C@@]2(C)CC2(F)F)cccc1[N+](=O)[O-] ZINC000689669689 799767708 /nfs/dbraw/zinc/76/77/08/799767708.db2.gz MCPNAAZKTVEUSC-GFCCVEGCSA-N 1 0 270.279 3.038 20 5 CGBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000695110362 799825680 /nfs/dbraw/zinc/82/56/80/799825680.db2.gz HQCLVADGBDDXGR-FZMZJTMJSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000701535949 799888721 /nfs/dbraw/zinc/88/87/21/799888721.db2.gz MXDDNYFYHXBHSF-GWCFXTLKSA-N 1 0 298.770 3.295 20 5 CGBDRO COC(C)(C)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000711897249 800079793 /nfs/dbraw/zinc/07/97/93/800079793.db2.gz XXLBAKSFXZGLNZ-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO Cc1cc(N[C@H](C)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])s1 ZINC001163722518 806807452 /nfs/dbraw/zinc/80/74/52/806807452.db2.gz ZZJYZWVTNVBFDK-LLVKDONJSA-N 1 0 297.424 3.497 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1COC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000829426084 800485162 /nfs/dbraw/zinc/48/51/62/800485162.db2.gz DQQAZVQDWDVJJY-UGFHNGPFSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc(N[C@H]2CCCC[C@@H]2[NH+](C)C)c([N+](=O)[O-])c1 ZINC001116190458 802308588 /nfs/dbraw/zinc/30/85/88/802308588.db2.gz NQAMZXGLPIFUNC-JSGCOSHPSA-N 1 0 277.368 3.188 20 5 CGBDRO C[C@H](CC(C)(C)C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001120497322 802746814 /nfs/dbraw/zinc/74/68/14/802746814.db2.gz UHFLMTXNEFCACN-RISCZKNCSA-N 1 0 280.368 3.043 20 5 CGBDRO CC1(Nc2ccc([N+](=O)[O-])c3ccccc23)CC[NH2+]CC1 ZINC001168187827 807338629 /nfs/dbraw/zinc/33/86/29/807338629.db2.gz JCDAOEJVBNBNRE-UHFFFAOYSA-N 1 0 285.347 3.302 20 5 CGBDRO CC(C)(C)c1ccc(N[C@H]2C[NH2+]CC[C@H]2F)c([N+](=O)[O-])c1 ZINC001168227041 807356720 /nfs/dbraw/zinc/35/67/20/807356720.db2.gz UJBBBJCQNHXHOF-YPMHNXCESA-N 1 0 295.358 3.004 20 5 CGBDRO CC(C)[NH+]1CC(Nc2ncnc3cc4ccccc4cc32)C1 ZINC001168312649 807378714 /nfs/dbraw/zinc/37/87/14/807378714.db2.gz DEGYJGFNRQVZLW-UHFFFAOYSA-N 1 0 292.386 3.288 20 5 CGBDRO C[Si](C)(C)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC001168309803 807379202 /nfs/dbraw/zinc/37/92/02/807379202.db2.gz PESZYVDNJYBPMY-UHFFFAOYSA-N 1 0 278.428 3.437 20 5 CGBDRO Cc1cc2cc(C[NH3+])ccc2n1[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168960793 807541442 /nfs/dbraw/zinc/54/14/42/807541442.db2.gz HCIGGWDSRFJOJJ-ZFWWWQNUSA-N 1 0 287.363 3.026 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C1 ZINC001168967713 807543938 /nfs/dbraw/zinc/54/39/38/807543938.db2.gz SPNNBAGOLCDEAR-BWAJOPIQSA-N 1 0 292.423 3.238 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001168968195 807544248 /nfs/dbraw/zinc/54/42/48/807544248.db2.gz XITQOMHCBZXGIB-SWLSCSKDSA-N 1 0 274.364 3.099 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)cc2F)C1 ZINC001168979468 807545969 /nfs/dbraw/zinc/54/59/69/807545969.db2.gz YGVYUJATQDMWKY-SKDRFNHKSA-N 1 0 286.734 3.014 20 5 CGBDRO CCOc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168983376 807546918 /nfs/dbraw/zinc/54/69/18/807546918.db2.gz JTTHZIFDGODDEF-IPYPFGDCSA-N 1 0 292.379 3.181 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1OC ZINC001168987552 807548022 /nfs/dbraw/zinc/54/80/22/807548022.db2.gz JMZAJKKXGBBCGX-NFAWXSAZSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC001168992803 807548117 /nfs/dbraw/zinc/54/81/17/807548117.db2.gz KSSNNUYVKQPJKM-CZUORRHYSA-N 1 0 274.364 3.099 20 5 CGBDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC(F)(F)F ZINC001169000720 807549366 /nfs/dbraw/zinc/54/93/66/807549366.db2.gz APGDIHLPBXXFGS-NXEZZACHSA-N 1 0 282.306 3.000 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCc3ccccc32)C1 ZINC001169006982 807551977 /nfs/dbraw/zinc/55/19/77/807551977.db2.gz ZZSKGRDNCSVADE-KBMXLJTQSA-N 1 0 288.391 3.142 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169006786 807552226 /nfs/dbraw/zinc/55/22/26/807552226.db2.gz YZVCCTINBYLYPD-INWMFGNUSA-N 1 0 274.364 3.017 20 5 CGBDRO C[N@H+](CCc1ccc(Cl)cc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169034541 807555689 /nfs/dbraw/zinc/55/56/89/807555689.db2.gz HNSBKBXSDFVRIH-DZGCQCFKSA-N 1 0 296.798 3.260 20 5 CGBDRO CC(C)c1nc(C[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001169040237 807557062 /nfs/dbraw/zinc/55/70/62/807557062.db2.gz YYYJRKDTPIPSOC-YPMHNXCESA-N 1 0 297.424 3.144 20 5 CGBDRO COc1ccccc1[C@H](C)[N@H+](C)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169040227 807557342 /nfs/dbraw/zinc/55/73/42/807557342.db2.gz YYXRHIZATBCQMR-IHRRRGAJSA-N 1 0 292.379 3.133 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@H]2C2CCCCC2)C1 ZINC001169039657 807557536 /nfs/dbraw/zinc/55/75/36/807557536.db2.gz RXTOGRFAZGHTBS-BMFZPTHFSA-N 1 0 280.412 3.477 20 5 CGBDRO Cc1cc(Cl)c(NCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001169569709 807668534 /nfs/dbraw/zinc/66/85/34/807668534.db2.gz SYTSRXSIHNDJRW-SNVBAGLBSA-N 1 0 283.759 3.111 20 5 CGBDRO CCOc1cc(NC(C)(C)CC[NH+](C)C)ccc1[N+](=O)[O-] ZINC001169717673 807696774 /nfs/dbraw/zinc/69/67/74/807696774.db2.gz ILJRYLLIASYNCB-UHFFFAOYSA-N 1 0 295.383 3.136 20 5 CGBDRO CCC[C@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170304867 807822342 /nfs/dbraw/zinc/82/23/42/807822342.db2.gz GZJRDFQQWBUBCC-NWDGAFQWSA-N 1 0 280.368 3.313 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC001170352838 807827920 /nfs/dbraw/zinc/82/79/20/807827920.db2.gz RPHIQOAYTADCSL-SGMGOOAPSA-N 1 0 290.363 3.019 20 5 CGBDRO CC(C)[C@@H](C)[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172898262 808475787 /nfs/dbraw/zinc/47/57/87/808475787.db2.gz JXEFLMBHWTZZMF-DOMZBBRYSA-N 1 0 276.380 3.476 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)C1CC1 ZINC001173210800 808537968 /nfs/dbraw/zinc/53/79/68/808537968.db2.gz NQBQIWUBZMGXPG-NSHDSACASA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1cccs1 ZINC001173213453 808538709 /nfs/dbraw/zinc/53/87/09/808538709.db2.gz FHMKGONYNQIJGT-LBPRGKRZSA-N 1 0 290.388 3.420 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)o1 ZINC001173213019 808538793 /nfs/dbraw/zinc/53/87/93/808538793.db2.gz CILVFHCZQJLUER-LLVKDONJSA-N 1 0 274.320 3.217 20 5 CGBDRO CO[C@H]1CC[C@@H]([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173226587 808541178 /nfs/dbraw/zinc/54/11/78/808541178.db2.gz MTAWPQYKPSXEOG-DUVNUKRYSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC001173228294 808541653 /nfs/dbraw/zinc/54/16/53/808541653.db2.gz IUNZCFJCPRDBRL-NWDGAFQWSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(F)CC1 ZINC001173230030 808542446 /nfs/dbraw/zinc/54/24/46/808542446.db2.gz XHBAGYBRRNVMOC-LBPRGKRZSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CC(F)(F)C2 ZINC001173230005 808543397 /nfs/dbraw/zinc/54/33/97/808543397.db2.gz WYOQVGJLKCFIQM-NSHDSACASA-N 1 0 296.317 3.257 20 5 CGBDRO CCC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)CC(C)(C)O ZINC001180174406 809981490 /nfs/dbraw/zinc/98/14/90/809981490.db2.gz LBMZUCDDCJYSLZ-UHFFFAOYSA-N 1 0 294.395 3.195 20 5 CGBDRO CCC[N@H+](CC[N+](=O)[O-])[C@H](C)c1cc2ccccc2o1 ZINC001190520619 810632525 /nfs/dbraw/zinc/63/25/25/810632525.db2.gz VCHWDXLHGCPLNN-GFCCVEGCSA-N 1 0 276.336 3.483 20 5 CGBDRO C[N@@H+]1CCc2ccc(Nc3cc(O)cc([N+](=O)[O-])c3)cc2C1 ZINC001201231206 811801799 /nfs/dbraw/zinc/80/17/99/811801799.db2.gz GEVYSQBZIBYMFJ-UHFFFAOYSA-N 1 0 299.330 3.032 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)C1 ZINC001217950127 816013884 /nfs/dbraw/zinc/01/38/84/816013884.db2.gz DXFNEZVPCNHMSN-FKQCQYRASA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001218026266 816061897 /nfs/dbraw/zinc/06/18/97/816061897.db2.gz HTOCLPRHXFCRJR-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001218027020 816061991 /nfs/dbraw/zinc/06/19/91/816061991.db2.gz LQKFMSZOWKSLTH-KOLCDFICSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+]CC[C@@H]1C ZINC001218028675 816063413 /nfs/dbraw/zinc/06/34/13/816063413.db2.gz WJZFMGNQMBNLEQ-JOYOIKCWSA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+]CC[C@@H]2C)c(C)c(C)c1[N+](=O)[O-] ZINC001218034469 816066413 /nfs/dbraw/zinc/06/64/13/816066413.db2.gz PFDMILLKRDABEM-HZMBPMFUSA-N 1 0 292.379 3.287 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218064932 816082659 /nfs/dbraw/zinc/08/26/59/816082659.db2.gz CCCUHYIXKMNQHA-DOTOQJQBSA-N 1 0 296.345 3.467 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC12CC[NH2+]CC2 ZINC001218083564 816089322 /nfs/dbraw/zinc/08/93/22/816089322.db2.gz RZPFLQNQTXOSMU-AWEZNQCLSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)c1Cl ZINC001218089832 816091071 /nfs/dbraw/zinc/09/10/71/816091071.db2.gz BASGBILFMXUGRN-TZMCWYRMSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CCC[C@@]23CC[NH2+]C3)c(Cl)c1 ZINC001218089502 816091409 /nfs/dbraw/zinc/09/14/09/816091409.db2.gz JKVVDIFWIBYNLW-KBPBESRZSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218090985 816092511 /nfs/dbraw/zinc/09/25/11/816092511.db2.gz JOYGXUPVDOYKFD-JKSUJKDBSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218095277 816095374 /nfs/dbraw/zinc/09/53/74/816095374.db2.gz OZASMFYAJVSFFY-GOEBONIOSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218096846 816096944 /nfs/dbraw/zinc/09/69/44/816096944.db2.gz UXVXKMROEADCKP-ZIAGYGMSSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(OC2CC3(C2)CC[NH2+]CC3)cc1Cl ZINC001218104478 816100273 /nfs/dbraw/zinc/10/02/73/816100273.db2.gz NUMQOAVHAGBSIZ-UHFFFAOYSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218106539 816101209 /nfs/dbraw/zinc/10/12/09/816101209.db2.gz UIBFIVRFTDVADV-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CCC2(C[NH2+]C2)CC1 ZINC001218264053 816145276 /nfs/dbraw/zinc/14/52/76/816145276.db2.gz OYDLMFSLLIYFBI-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@@H](Oc1cccc2c1CC[NH2+]C2)c1ccccc1[N+](=O)[O-] ZINC001218317370 816165430 /nfs/dbraw/zinc/16/54/30/816165430.db2.gz MGNUSCGMWZVBFH-GFCCVEGCSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001218385612 816185404 /nfs/dbraw/zinc/18/54/04/816185404.db2.gz IINHYDOJKFUBJC-BDJLRTHQSA-N 1 0 284.315 3.001 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[NH2+]CCC23CC3)c2ccccc21 ZINC001218400166 816193391 /nfs/dbraw/zinc/19/33/91/816193391.db2.gz RPBQWOPGYJUYAC-MRXNPFEDSA-N 1 0 298.342 3.269 20 5 CGBDRO Cc1cc(C)c(CO[C@@H](C)C[N+](C)(C)C)c(C)c1 ZINC001222901052 816531668 /nfs/dbraw/zinc/53/16/68/816531668.db2.gz QSYNRPZOCCLXJU-HNNXBMFYSA-N 1 0 250.406 3.223 20 5 CGBDRO Cc1c(CO[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cccc1[N+](=O)[O-] ZINC001223331851 816607234 /nfs/dbraw/zinc/60/72/34/816607234.db2.gz PMZOGQOYHCODBR-FICVDOATSA-N 1 0 290.363 3.045 20 5 CGBDRO CCOc1ccc([C@@H](C)OCC[N+](C)(C)C)c(OCC)c1 ZINC001224775114 816878272 /nfs/dbraw/zinc/87/82/72/816878272.db2.gz IYCOJMCCJUDAIY-CQSZACIVSA-N 1 0 296.431 3.268 20 5 CGBDRO Cc1cc(COCC[N+](C)(C)C)cc(C)c1OC(C)C ZINC001224773191 816878315 /nfs/dbraw/zinc/87/83/15/816878315.db2.gz GIQANWQQQCGOQK-UHFFFAOYSA-N 1 0 280.432 3.313 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cccc(C)c1[N+](=O)[O-] ZINC001225634088 817121005 /nfs/dbraw/zinc/12/10/05/817121005.db2.gz ZUDJEJIFNKLHQY-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cccc([N+](=O)[O-])c1Cl)C2 ZINC001225786439 817178309 /nfs/dbraw/zinc/17/83/09/817178309.db2.gz SXZVOZDRBRDMSE-URLYPYJESA-N 1 0 296.754 3.252 20 5 CGBDRO CCC(=O)c1cc(F)c(O[C@H](C)C[N+](C)(C)C)c(F)c1 ZINC001225892262 817208602 /nfs/dbraw/zinc/20/86/02/817208602.db2.gz PDPWLISZHCTGLX-SNVBAGLBSA-N 1 0 286.342 3.031 20 5 CGBDRO O=[N+]([O-])c1ccccc1OC1CCN(c2cc[nH+]cc2)CC1 ZINC001227479231 817658091 /nfs/dbraw/zinc/65/80/91/817658091.db2.gz FJQMQXRLBOECDC-UHFFFAOYSA-N 1 0 299.330 3.038 20 5 CGBDRO Cc1cc(OC(F)(F)F)ccc1O[C@H](C)C[N+](C)(C)C ZINC001227860060 817738247 /nfs/dbraw/zinc/73/82/47/817738247.db2.gz SBYZEWHNUSMJCK-LLVKDONJSA-N 1 0 292.321 3.367 20 5 CGBDRO COc1ccc(C(F)(F)F)cc1O[C@@H](C)C[N+](C)(C)C ZINC001227887858 817743478 /nfs/dbraw/zinc/74/34/78/817743478.db2.gz GTDSESFAAYCGJA-JTQLQIEISA-N 1 0 292.321 3.188 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1c(C)cc([N+](=O)[O-])cc1C ZINC001228572369 817942776 /nfs/dbraw/zinc/94/27/76/817942776.db2.gz ZPMNOJHCASUZFI-CYBMUJFWSA-N 1 0 280.368 3.321 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228742081 817995361 /nfs/dbraw/zinc/99/53/61/817995361.db2.gz VMEGMUBLWXKFHK-CQSZACIVSA-N 1 0 293.370 3.256 20 5 CGBDRO C[C@H](C[NH+](C)C)Oc1ccc2nc3ccccc3nc2c1 ZINC001228741010 817995725 /nfs/dbraw/zinc/99/57/25/817995725.db2.gz NYDWDAJCYQZHHR-GFCCVEGCSA-N 1 0 281.359 3.112 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228740680 817995759 /nfs/dbraw/zinc/99/57/59/817995759.db2.gz KOJMWSKGHKRBCT-AWEZNQCLSA-N 1 0 293.370 3.256 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ccc(F)cc21 ZINC001234964358 818966740 /nfs/dbraw/zinc/96/67/40/818966740.db2.gz YMHDXWIJRWCSHW-LBPRGKRZSA-N 1 0 262.348 3.452 20 5 CGBDRO Cc1cccc(C(F)(F)F)c1O[C@H](C)C[N+](C)(C)C ZINC001234961299 818966842 /nfs/dbraw/zinc/96/68/42/818966842.db2.gz JLLMFISHXCWYOQ-LLVKDONJSA-N 1 0 276.322 3.487 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C/C=C\C2CC2)cc1Cl ZINC001343972493 936520967 /nfs/dbraw/zinc/52/09/67/936520967.db2.gz HTPYAIHLMAAVHJ-UPHRSURJSA-N 1 0 266.728 3.304 20 5 CGBDRO C[C@@H]1[C@H](C)C[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001559923412 937210907 /nfs/dbraw/zinc/21/09/07/937210907.db2.gz ZXISHRQPXMAKEN-UPJWGTAASA-N 1 0 262.353 3.114 20 5 CGBDRO Cc1cc(N[C@H]2C[C@H]([NH+](C)C)C23CCC3)ccc1[N+](=O)[O-] ZINC001458488323 937464923 /nfs/dbraw/zinc/46/49/23/937464923.db2.gz DVIWEOFRRGXMMX-GJZGRUSLSA-N 1 0 289.379 3.188 20 5 CGBDRO C[C@@H](Cc1ccsc1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001459620540 937493804 /nfs/dbraw/zinc/49/38/04/937493804.db2.gz IKYBACOMLJKOTF-NSHDSACASA-N 1 0 291.376 3.114 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC(C)(C)C1 ZINC001460049952 937513379 /nfs/dbraw/zinc/51/33/79/937513379.db2.gz VHQKQVHSGFBUJT-CQSZACIVSA-N 1 0 292.379 3.484 20 5 CGBDRO C[N@H+](CCCC1CC1)CCc1ccccc1[N+](=O)[O-] ZINC001460085149 937514690 /nfs/dbraw/zinc/51/46/90/937514690.db2.gz FHBLFNYYCMFVNF-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(O)c(Cl)cc1Cl ZINC001229405835 932146623 /nfs/dbraw/zinc/14/66/23/932146623.db2.gz BOILLCILULNOOL-QMMMGPOBSA-O 1 0 279.187 3.173 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2nccc(Cl)c2c1 ZINC001230006246 932519978 /nfs/dbraw/zinc/51/99/78/932519978.db2.gz OAAIPNSORLXKMQ-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO CC[NH+]1CCC(Oc2cc(C)c(C)c([N+](=O)[O-])c2)CC1 ZINC001230471316 932574664 /nfs/dbraw/zinc/57/46/64/932574664.db2.gz BIWACZHHXUAIJA-UHFFFAOYSA-N 1 0 278.352 3.075 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC001462063945 937615821 /nfs/dbraw/zinc/61/58/21/937615821.db2.gz XQPTUCZRSVYUHK-IUODEOHRSA-N 1 0 294.395 3.481 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C1 ZINC001230942018 932645936 /nfs/dbraw/zinc/64/59/36/932645936.db2.gz ZWZCMFZEYYJIQQ-KRWDZBQOSA-N 1 0 298.342 3.345 20 5 CGBDRO Cc1cc(N[C@H]2CCCC[C@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001324027528 934450645 /nfs/dbraw/zinc/45/06/45/934450645.db2.gz VLASUGVWVHXEPC-GXTWGEPZSA-N 1 0 295.358 3.327 20 5 CGBDRO CC[C@@H](C)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001472783900 937783715 /nfs/dbraw/zinc/78/37/15/937783715.db2.gz MTUXYVJCTUUXBO-LLVKDONJSA-N 1 0 297.786 3.169 20 5 CGBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@H]2C)ccc1[N+](=O)[O-] ZINC001473382105 937803784 /nfs/dbraw/zinc/80/37/84/937803784.db2.gz UFUIMYZELPFMQZ-YPMHNXCESA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]Cc1cccn1C1CC1 ZINC001326447794 934981121 /nfs/dbraw/zinc/98/11/21/934981121.db2.gz XBTNZADGJQXLTA-UHFFFAOYSA-N 1 0 285.347 3.064 20 5 CGBDRO Cc1ccc(NC(=[NH2+])NCc2cccc([N+](=O)[O-])c2C)cc1 ZINC001327781137 935084158 /nfs/dbraw/zinc/08/41/58/935084158.db2.gz HRZXHKFZCTZSHP-UHFFFAOYSA-N 1 0 298.346 3.348 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001330207499 935276827 /nfs/dbraw/zinc/27/68/27/935276827.db2.gz QWHQHEIDWWSLLX-KGYLQXTDSA-N 1 0 282.290 3.118 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C\C1CC1 ZINC001331973654 935428887 /nfs/dbraw/zinc/42/88/87/935428887.db2.gz QPHLIJSJMNQUGO-OTDNITJGSA-N 1 0 278.327 3.221 20 5 CGBDRO CC(C)[C@@H]1CCCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC001559689415 938233049 /nfs/dbraw/zinc/23/30/49/938233049.db2.gz OMMWUVKTWPKEJB-AWEZNQCLSA-N 1 0 277.368 3.390 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC001559769770 938235105 /nfs/dbraw/zinc/23/51/05/938235105.db2.gz SGSDWOQDCREPTE-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO C=C/C=C\CC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC001559782526 938235451 /nfs/dbraw/zinc/23/54/51/938235451.db2.gz QFCDIKZRHXZFKH-PLNGDYQASA-N 1 0 260.337 3.201 20 5 CGBDRO CCC1(CC)CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001560120434 938244528 /nfs/dbraw/zinc/24/45/28/938244528.db2.gz WVUXSZSZPMJIHT-HNNXBMFYSA-N 1 0 292.379 3.283 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cc(O)cc(Cl)c2)cc1 ZINC001560283108 938250920 /nfs/dbraw/zinc/25/09/20/938250920.db2.gz YCGCOWSFOYQXLZ-UHFFFAOYSA-N 1 0 292.722 3.244 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001560490020 938260337 /nfs/dbraw/zinc/26/03/37/938260337.db2.gz IIDNVYSJJCFVMI-CYBMUJFWSA-N 1 0 293.411 3.113 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000124807203 187155073 /nfs/dbraw/zinc/15/50/73/187155073.db2.gz UHZJUMZMILBMQT-RAEVTNRLSA-N 1 0 290.363 3.203 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000290126664 197604033 /nfs/dbraw/zinc/60/40/33/197604033.db2.gz JSFUKXKSAZRAHS-WOPDTQHZSA-N 1 0 296.367 3.068 20 5 CGBDRO C[N@@H+]1CCC[C@@H]1CCSc1cccc([N+](=O)[O-])c1 ZINC000337759641 214249638 /nfs/dbraw/zinc/24/96/38/214249638.db2.gz ODQOSDTVUUVENO-LLVKDONJSA-N 1 0 266.366 3.171 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000337941017 214321251 /nfs/dbraw/zinc/32/12/51/214321251.db2.gz FNUXEZRTBIUULB-CQSZACIVSA-N 1 0 280.368 3.136 20 5 CGBDRO CC[C@H]([NH2+]CCc1cncs1)c1cccc([N+](=O)[O-])c1 ZINC000411470256 529608795 /nfs/dbraw/zinc/60/87/95/529608795.db2.gz BSXGZIJUUODXHG-AWEZNQCLSA-N 1 0 291.376 3.335 20 5 CGBDRO Cc1cccnc1CCC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000295051220 199320412 /nfs/dbraw/zinc/32/04/12/199320412.db2.gz PLYANOQNESAZDQ-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CCC(F)(F)CC2)c1 ZINC000592366070 346979740 /nfs/dbraw/zinc/97/97/40/346979740.db2.gz QSGWPCLRGYFZEJ-UHFFFAOYSA-N 1 0 284.306 3.305 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000592395430 346983064 /nfs/dbraw/zinc/98/30/64/346983064.db2.gz BGLFYHWLIKWKEO-SCRDCRAPSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000592397459 346983931 /nfs/dbraw/zinc/98/39/31/346983931.db2.gz LIUCJZWTJBSASM-YUTCNCBUSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000128231738 187358919 /nfs/dbraw/zinc/35/89/19/187358919.db2.gz RNSBNWFJAGIUHS-GJZGRUSLSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1c(CN2C[C@@H](C)OCC23CCC3)cccc1[N+](=O)[O-] ZINC000593093582 347038659 /nfs/dbraw/zinc/03/86/59/347038659.db2.gz UUVKQLPXEJNYKF-GFCCVEGCSA-N 1 0 290.363 3.047 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc([N+](=O)[O-])cc1 ZINC000593320968 347062463 /nfs/dbraw/zinc/06/24/63/347062463.db2.gz VWHBUJTXBWAKJM-IUODEOHRSA-N 1 0 297.358 3.282 20 5 CGBDRO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000063262180 345244755 /nfs/dbraw/zinc/24/47/55/345244755.db2.gz TYHAPJAHODACAI-GHMZBOCLSA-N 1 0 283.397 3.189 20 5 CGBDRO CC(C)[C@@H](CNc1ccccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000058670471 345199422 /nfs/dbraw/zinc/19/94/22/345199422.db2.gz GSVHNKHJNAROJB-OAHLLOKOSA-N 1 0 277.368 3.127 20 5 CGBDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287805 345465170 /nfs/dbraw/zinc/46/51/70/345465170.db2.gz OJFRROQOVJAWAW-JKSUJKDBSA-N 1 0 292.379 3.029 20 5 CGBDRO COCC[N@H+](CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000076913200 345554446 /nfs/dbraw/zinc/55/44/46/345554446.db2.gz SKEDXJPFPRISTC-UHFFFAOYSA-N 1 0 292.379 3.028 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(c2ccccc2)CC1 ZINC000077379250 345570878 /nfs/dbraw/zinc/57/08/78/345570878.db2.gz JUAJVYVGTNJYHS-UHFFFAOYSA-N 1 0 298.342 3.253 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000090909917 345797040 /nfs/dbraw/zinc/79/70/40/345797040.db2.gz RWSBPBKRKXFIFG-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000178431713 232389890 /nfs/dbraw/zinc/38/98/90/232389890.db2.gz ZRQPUNZXVBKVKS-JSGCOSHPSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889029 346311629 /nfs/dbraw/zinc/31/16/29/346311629.db2.gz NEDYPDCZSUDVFC-SECBINFHSA-N 1 0 287.310 3.015 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000322796908 346490009 /nfs/dbraw/zinc/49/00/09/346490009.db2.gz OZUQCPLBEDOLLX-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000268973835 232537886 /nfs/dbraw/zinc/53/78/86/232537886.db2.gz BEBUWUAONDVSGK-GUTXKFCHSA-N 1 0 292.379 3.105 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1sccc1[N+](=O)[O-] ZINC000588866020 346771570 /nfs/dbraw/zinc/77/15/70/346771570.db2.gz HSTNICIHHXNFGG-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO C[C@H](F)CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000351767393 219200363 /nfs/dbraw/zinc/20/03/63/219200363.db2.gz VGWNUZPZRVAFFN-NSHDSACASA-N 1 0 266.316 3.307 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000593694885 347104720 /nfs/dbraw/zinc/10/47/20/347104720.db2.gz DMRFRMUKAULDJI-MFBWXBCUSA-N 1 0 294.301 3.339 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccsc2[N+](=O)[O-])CC1 ZINC000589569013 346800658 /nfs/dbraw/zinc/80/06/58/346800658.db2.gz RRZZTFQYOHOAKK-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO CC[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCCO1 ZINC000594041571 347143339 /nfs/dbraw/zinc/14/33/39/347143339.db2.gz FUYBBQQUQBVPSO-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000594597955 347199034 /nfs/dbraw/zinc/19/90/34/347199034.db2.gz FKRKGAOQFQVELJ-GXTWGEPZSA-N 1 0 275.352 3.024 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CS1 ZINC000594493983 347177853 /nfs/dbraw/zinc/17/78/53/347177853.db2.gz CXLPJDFJIPUIES-AAEUAGOBSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000594496168 347178669 /nfs/dbraw/zinc/17/86/69/347178669.db2.gz ITHSJYGBALQPAG-AAEUAGOBSA-N 1 0 280.393 3.011 20 5 CGBDRO Cc1occc1C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594505657 347181664 /nfs/dbraw/zinc/18/16/64/347181664.db2.gz YOSNRRRWYFGVBZ-CQSZACIVSA-N 1 0 272.304 3.273 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000594512936 347183869 /nfs/dbraw/zinc/18/38/69/347183869.db2.gz FPQZJZCFWDMGFS-NSHDSACASA-N 1 0 286.397 3.197 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2C(C)(C)C2(F)F)cc1[N+](=O)[O-] ZINC000594991132 347250479 /nfs/dbraw/zinc/25/04/79/347250479.db2.gz DSJHJKMSVZXFIX-LBPRGKRZSA-N 1 0 284.306 3.284 20 5 CGBDRO CC(C)CC[C@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C(C)(C)C ZINC000537290345 288522063 /nfs/dbraw/zinc/52/20/63/288522063.db2.gz NDXMKAPBTZYOMM-AWEZNQCLSA-N 1 0 296.415 3.232 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000594997191 347252306 /nfs/dbraw/zinc/25/23/06/347252306.db2.gz IRQMCUSTELISHZ-INIZCTEOSA-N 1 0 292.379 3.280 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CO1 ZINC000594935272 347234186 /nfs/dbraw/zinc/23/41/86/347234186.db2.gz FJXSNQHSECODIP-MRVWCRGKSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000594974842 347246534 /nfs/dbraw/zinc/24/65/34/347246534.db2.gz KIOKWVLCPBJOOJ-RDBSUJKOSA-N 1 0 290.363 3.129 20 5 CGBDRO CC[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595289023 347286314 /nfs/dbraw/zinc/28/63/14/347286314.db2.gz BRYRZKBYASDKDH-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000595290414 347287257 /nfs/dbraw/zinc/28/72/57/347287257.db2.gz BBKBTNLGFKQAIT-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO CCC[NH+](CCC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595298456 347289075 /nfs/dbraw/zinc/28/90/75/347289075.db2.gz OYQWQUIXHJOEFV-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595307235 347290336 /nfs/dbraw/zinc/29/03/36/347290336.db2.gz KFZSEMMCYGRIRV-UHFFFAOYSA-N 1 0 298.358 3.371 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595316134 347290777 /nfs/dbraw/zinc/29/07/77/347290777.db2.gz CFOYNONLTXUANG-SNVBAGLBSA-N 1 0 254.305 3.212 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC3(C2)CCCCC3)c1[N+](=O)[O-] ZINC000595328747 347293241 /nfs/dbraw/zinc/29/32/41/347293241.db2.gz ZERYZENYYVIHLS-UHFFFAOYSA-N 1 0 279.340 3.047 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])CC1CC1 ZINC000595355847 347295671 /nfs/dbraw/zinc/29/56/71/347295671.db2.gz FRBRDFNEGMXGLG-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)C1CC1 ZINC000595005125 347254483 /nfs/dbraw/zinc/25/44/83/347254483.db2.gz DAKJGXKJXLPMKB-WDEREUQCSA-N 1 0 278.352 3.300 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCSC ZINC000595008737 347254922 /nfs/dbraw/zinc/25/49/22/347254922.db2.gz QGSHTBONTJTDFA-NSHDSACASA-N 1 0 298.408 3.397 20 5 CGBDRO CC[C@H](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595071203 347276631 /nfs/dbraw/zinc/27/66/31/347276631.db2.gz BFVYWSJSLGBSFS-IHRRRGAJSA-N 1 0 294.399 3.301 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595755489 347350127 /nfs/dbraw/zinc/35/01/27/347350127.db2.gz MNEROGSVKOOCQZ-LBPRGKRZSA-N 1 0 296.342 3.175 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](CCF)C2)cc1 ZINC000595755323 347350577 /nfs/dbraw/zinc/35/05/77/347350577.db2.gz KVVYRRURCFCXEN-ZDUSSCGKSA-N 1 0 296.342 3.045 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000595473313 347308492 /nfs/dbraw/zinc/30/84/92/347308492.db2.gz ANZHRHKPEBUWJE-QDMKHBRRSA-N 1 0 274.364 3.115 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000596308868 347414872 /nfs/dbraw/zinc/41/48/72/347414872.db2.gz XHAXMDPXNVMRTO-CYBMUJFWSA-N 1 0 291.395 3.436 20 5 CGBDRO CCC[C@H](NCC1([NH3+])CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000596649378 347497626 /nfs/dbraw/zinc/49/76/26/347497626.db2.gz ZMPZVGQYROUEFH-HNNXBMFYSA-N 1 0 291.395 3.297 20 5 CGBDRO C[C@@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975218 347703124 /nfs/dbraw/zinc/70/31/24/347703124.db2.gz UEKDYXXCMBWZKU-CHWSQXEVSA-N 1 0 291.395 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC2CC=CC2)c1 ZINC000598992466 347705041 /nfs/dbraw/zinc/70/50/41/347705041.db2.gz OSZVQANVDXFURO-UHFFFAOYSA-N 1 0 298.289 3.252 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CO)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000599069496 347714054 /nfs/dbraw/zinc/71/40/54/347714054.db2.gz UBXNRNRVVCAQLO-GOEBONIOSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CO[C@H](C3CC3)C2)cccc1[N+](=O)[O-] ZINC000599085021 347715936 /nfs/dbraw/zinc/71/59/36/347715936.db2.gz JHQQPODMGOWJAO-RBOXIYTFSA-N 1 0 290.363 3.121 20 5 CGBDRO CCOc1cc(C[NH+](C2CC2)C2CC2)ccc1[N+](=O)[O-] ZINC000599597922 347757648 /nfs/dbraw/zinc/75/76/48/347757648.db2.gz BLGLDLLQIIFJSW-UHFFFAOYSA-N 1 0 276.336 3.120 20 5 CGBDRO C[C@H]1CC(F)(F)CCN1Cc1csc([N+](=O)[O-])c1 ZINC000599622442 347758816 /nfs/dbraw/zinc/75/88/16/347758816.db2.gz IKSHWEAKBBHMCS-QMMMGPOBSA-N 1 0 276.308 3.276 20 5 CGBDRO O=[N+]([O-])c1ccc(CO)c(-c2ccc([C@H]3CCC[NH2+]3)cc2)c1 ZINC000600781420 347835348 /nfs/dbraw/zinc/83/53/48/347835348.db2.gz BMRKQFCSPPOZOG-QGZVFWFLSA-N 1 0 298.342 3.179 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@H](C)O1 ZINC000601298467 347889915 /nfs/dbraw/zinc/88/99/15/347889915.db2.gz IPZLKSXSVYHHON-CJTUPEFNSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)[C@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000602020191 347934223 /nfs/dbraw/zinc/93/42/23/347934223.db2.gz LCSRWBSNLPJVLH-MWLCHTKSSA-N 1 0 270.279 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCNc2ccccc2)cc1 ZINC000602500789 347970945 /nfs/dbraw/zinc/97/09/45/347970945.db2.gz PSWNMWHFXKFFIU-UHFFFAOYSA-N 1 0 299.374 3.229 20 5 CGBDRO Cc1cc(C[N@H+](C)CCc2ccccc2[N+](=O)[O-])sn1 ZINC000602648914 348000430 /nfs/dbraw/zinc/00/04/30/348000430.db2.gz DRSSPAHEXQPFJP-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3=CCCCC3)nc2c1 ZINC000602673694 348006554 /nfs/dbraw/zinc/00/65/54/348006554.db2.gz MLLSOWQTISAPSS-UHFFFAOYSA-N 1 0 287.319 3.326 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3C[C@H]3C3CCC3)nc2c1 ZINC000602693755 348010328 /nfs/dbraw/zinc/01/03/28/348010328.db2.gz ITFQFAOYPVXAGU-NWDGAFQWSA-N 1 0 287.319 3.014 20 5 CGBDRO CC[C@H](C)CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602707474 348014315 /nfs/dbraw/zinc/01/43/15/348014315.db2.gz AZUWCICFSCGDRG-JTQLQIEISA-N 1 0 277.324 3.262 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCCC[C@@H]1CC(C)C ZINC000602794015 348030715 /nfs/dbraw/zinc/03/07/15/348030715.db2.gz CMJDYNVNWIIDBQ-CQSZACIVSA-N 1 0 294.399 3.000 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@]1(C)CC(C)C ZINC000602837702 348035407 /nfs/dbraw/zinc/03/54/07/348035407.db2.gz YXALUUMHFDSWOK-HNNXBMFYSA-N 1 0 294.399 3.000 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])s1 ZINC000604408749 348119661 /nfs/dbraw/zinc/11/96/61/348119661.db2.gz HGAVELMVLYPMNU-LLVKDONJSA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409282 348119788 /nfs/dbraw/zinc/11/97/88/348119788.db2.gz OLXVLXMWZNBGQP-TXEJJXNPSA-N 1 0 297.424 3.436 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](CC(C)C)C2)cc1[N+](=O)[O-] ZINC000610410632 348381679 /nfs/dbraw/zinc/38/16/79/348381679.db2.gz RBFQVFDSDJZVNG-CQSZACIVSA-N 1 0 292.379 3.471 20 5 CGBDRO Cc1nc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)o1 ZINC000357779355 233002397 /nfs/dbraw/zinc/00/23/97/233002397.db2.gz QHJPEXNOXQTMEN-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO Cc1ncccc1C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000611377067 348443083 /nfs/dbraw/zinc/44/30/83/348443083.db2.gz XBBPQJAWOWXHIE-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611471154 348454386 /nfs/dbraw/zinc/45/43/86/348454386.db2.gz UCRRGTDMFJBLKY-GFCCVEGCSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@@H](F)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000339496790 215209297 /nfs/dbraw/zinc/20/92/97/215209297.db2.gz SNZAYQQCFWOOEU-MRVPVSSYSA-N 1 0 260.696 3.086 20 5 CGBDRO CC(C)(CC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000614822483 348695500 /nfs/dbraw/zinc/69/55/00/348695500.db2.gz ULAHICIVGMZFDB-UHFFFAOYSA-N 1 0 276.258 3.415 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCC[C@@H]2C2CC2)ccc1[N+](=O)[O-] ZINC000617196469 348928273 /nfs/dbraw/zinc/92/82/73/348928273.db2.gz SZQJZRGYJXGUAA-CQSZACIVSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618988409 349191871 /nfs/dbraw/zinc/19/18/71/349191871.db2.gz IQSOMPIURPQEOH-QMTHXVAHSA-N 1 0 292.379 3.066 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]Cc2cc3ccccc3[nH]2)c1 ZINC000618966980 349188274 /nfs/dbraw/zinc/18/82/74/349188274.db2.gz KWNVENRWEYUBTH-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3cccnc32)c1 ZINC000619611584 349262820 /nfs/dbraw/zinc/26/28/20/349262820.db2.gz ZOPTTYUYBCMHGY-INIZCTEOSA-N 1 0 297.358 3.200 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)cc1 ZINC000352163975 219343698 /nfs/dbraw/zinc/34/36/98/219343698.db2.gz KMZUBFCEVJPVJR-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000123069627 187069041 /nfs/dbraw/zinc/06/90/41/187069041.db2.gz SARCWKWWEDTSOZ-NXEZZACHSA-N 1 0 252.289 3.107 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000271511420 191183288 /nfs/dbraw/zinc/18/32/88/191183288.db2.gz NESJDDLHLDOHKC-IPYPFGDCSA-N 1 0 292.379 3.073 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152471525 188020961 /nfs/dbraw/zinc/02/09/61/188020961.db2.gz DIYRAZWFYQWGCR-KGLIPLIRSA-N 1 0 294.395 3.353 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000152471345 188021068 /nfs/dbraw/zinc/02/10/68/188021068.db2.gz DIYRAZWFYQWGCR-KBPBESRZSA-N 1 0 294.395 3.353 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCCCO2)C2CC2)c1 ZINC000153282788 188074546 /nfs/dbraw/zinc/07/45/46/188074546.db2.gz RAXZPFDKZVCXTG-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO O=[N+]([O-])c1cc(CN2CCC[C@@H]2c2ccncc2)cs1 ZINC000153853968 188107805 /nfs/dbraw/zinc/10/78/05/188107805.db2.gz YHEWKWVPNQMVBD-CYBMUJFWSA-N 1 0 289.360 3.388 20 5 CGBDRO CC(C)C[C@@H](CCO)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000154682280 188156456 /nfs/dbraw/zinc/15/64/56/188156456.db2.gz GBRRGFBUVKBHSN-ZIAGYGMSSA-N 1 0 294.395 3.290 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CCC[C@@H](C)CO)cc1[N+](=O)[O-] ZINC000340104269 215455348 /nfs/dbraw/zinc/45/53/48/215455348.db2.gz JZPOCSZWYMELHG-CYBMUJFWSA-N 1 0 294.395 3.216 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000412046257 235115692 /nfs/dbraw/zinc/11/56/92/235115692.db2.gz QVFCXWQIQYOQJG-JTQLQIEISA-N 1 0 289.335 3.356 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000414293300 235381908 /nfs/dbraw/zinc/38/19/08/235381908.db2.gz YXMRXUNVDNOFTG-OWTLIXCDSA-N 1 0 278.352 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCOC2CCCC2)c(Cl)c1 ZINC000108943152 138360963 /nfs/dbraw/zinc/36/09/63/138360963.db2.gz RAADCYQASVCXDT-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000424212081 236135337 /nfs/dbraw/zinc/13/53/37/236135337.db2.gz ZOCOFTRFMBVLHL-DOFRTFSJSA-N 1 0 298.289 3.084 20 5 CGBDRO CC1=CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000294823463 199199477 /nfs/dbraw/zinc/19/94/77/199199477.db2.gz XUCLYLBCXDEDDH-NSHDSACASA-N 1 0 286.335 3.060 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NCCC[NH+]1CCCCC1 ZINC000341392444 215953546 /nfs/dbraw/zinc/95/35/46/215953546.db2.gz VQPPMHOAALRFGK-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000342222238 216266301 /nfs/dbraw/zinc/26/63/01/216266301.db2.gz KZIHYBZEUCJGNC-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000342269917 216283906 /nfs/dbraw/zinc/28/39/06/216283906.db2.gz ABAJOUOKDBMQDR-UXOHQCDBSA-N 1 0 264.300 3.088 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCCC[C@@H]1C ZINC000301456735 201016973 /nfs/dbraw/zinc/01/69/73/201016973.db2.gz WYZDPYGMNNWNTR-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000342328802 216313254 /nfs/dbraw/zinc/31/32/54/216313254.db2.gz HDPDGTAHLBYCEB-NEPJUHHUSA-N 1 0 280.368 3.231 20 5 CGBDRO CC[NH+]1CCC(CCNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000301537778 201056618 /nfs/dbraw/zinc/05/66/18/201056618.db2.gz ARWOWSBFXCYEJI-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301597352 201089944 /nfs/dbraw/zinc/08/99/44/201089944.db2.gz GTRRGQFLZWYYKN-LBPRGKRZSA-N 1 0 295.358 3.124 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000182561934 189327855 /nfs/dbraw/zinc/32/78/55/189327855.db2.gz SNNIDTGZSDEIFR-MFKMUULPSA-N 1 0 292.360 3.041 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301594037 201085603 /nfs/dbraw/zinc/08/56/03/201085603.db2.gz RJLRVRCVFQGIMR-WDEREUQCSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1cc(NC[C@@H](C2CC2)[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000301974199 201283081 /nfs/dbraw/zinc/28/30/81/201283081.db2.gz BNESIIQELIEQAB-AWEZNQCLSA-N 1 0 297.786 3.309 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccccn1 ZINC000449064132 239152415 /nfs/dbraw/zinc/15/24/15/239152415.db2.gz OOMASLXUXPGIQH-OLZOCXBDSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC=CCC1 ZINC000449109027 239184206 /nfs/dbraw/zinc/18/42/06/239184206.db2.gz WWZQZIRCISMMIY-ZIAGYGMSSA-N 1 0 274.364 3.472 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]1C ZINC000449134135 239199704 /nfs/dbraw/zinc/19/97/04/239199704.db2.gz HCNXELXODADCEL-SCRDCRAPSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC=CCC1 ZINC000449160677 239211783 /nfs/dbraw/zinc/21/17/83/239211783.db2.gz MKGOHLCKEFGMJP-TZMCWYRMSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCCS1 ZINC000449235525 239261828 /nfs/dbraw/zinc/26/18/28/239261828.db2.gz VBHNAMAMQQRKDH-TZMCWYRMSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(F)(F)F ZINC000449254317 239272568 /nfs/dbraw/zinc/27/25/68/239272568.db2.gz XQDUIJGGCIEYGQ-NXEZZACHSA-N 1 0 290.285 3.456 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](F)C1 ZINC000449331803 239321244 /nfs/dbraw/zinc/32/12/44/239321244.db2.gz PJRWNULALVMEMF-WXHSDQCUSA-N 1 0 266.316 3.006 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+][C@H]1CCC12CCCC2 ZINC000451452185 240303773 /nfs/dbraw/zinc/30/37/73/240303773.db2.gz CMDILWCUOFPBFK-HNNXBMFYSA-N 1 0 290.363 3.286 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@H]1C ZINC000451539071 240322017 /nfs/dbraw/zinc/32/20/17/240322017.db2.gz DZTBLBDUYRDECM-TYNCELHUSA-N 1 0 278.352 3.013 20 5 CGBDRO COCCCC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451548036 240325534 /nfs/dbraw/zinc/32/55/34/240325534.db2.gz MBJLLSYGXXNNCP-HNNXBMFYSA-N 1 0 292.379 3.201 20 5 CGBDRO COC1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000459691969 242184347 /nfs/dbraw/zinc/18/43/47/242184347.db2.gz VKKZQJQQZQQREE-LRVUVFPRSA-N 1 0 292.379 3.073 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCOC(C)C ZINC000468644917 242649776 /nfs/dbraw/zinc/64/97/76/242649776.db2.gz IJFXNZYMBNGMRC-UVTDQMKNSA-N 1 0 292.379 3.403 20 5 CGBDRO C[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000479588832 243115021 /nfs/dbraw/zinc/11/50/21/243115021.db2.gz HZZHFIYZVFQRAK-OAQKJQOQSA-N 1 0 288.269 3.396 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479604833 243115454 /nfs/dbraw/zinc/11/54/54/243115454.db2.gz OGFDMVSBEQNXSQ-VIFPVBQESA-N 1 0 276.258 3.191 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000487572418 243453056 /nfs/dbraw/zinc/45/30/56/243453056.db2.gz LIVBKRMQTNHRKF-BXUZGUMPSA-N 1 0 262.353 3.162 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2cccc(F)c2)cs1 ZINC000037562720 369089349 /nfs/dbraw/zinc/08/93/49/369089349.db2.gz XEPCBHASBLFIDP-UHFFFAOYSA-N 1 0 280.324 3.128 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccnc2)cc1[N+](=O)[O-] ZINC000037717949 369101759 /nfs/dbraw/zinc/10/17/59/369101759.db2.gz KBLWMPOIZSNVDR-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CCOc1cc(C[NH+]2C[C@@H](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492764335 244021009 /nfs/dbraw/zinc/02/10/09/244021009.db2.gz CDMOCRJWASWGHM-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)c([N+](=O)[O-])c1)C[C@H]1CCCCO1 ZINC000048947805 369375817 /nfs/dbraw/zinc/37/58/17/369375817.db2.gz HLAKRZMKZQJDPU-GFCCVEGCSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)[C@H](C)C1CCCCC1 ZINC000330844627 203304870 /nfs/dbraw/zinc/30/48/70/203304870.db2.gz JWDXJRBQAHCBTC-NWDGAFQWSA-N 1 0 294.399 3.023 20 5 CGBDRO C[C@@H](Nc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1 ZINC000050163628 369430703 /nfs/dbraw/zinc/43/07/03/369430703.db2.gz XUFUJUSZBUXOCK-ZJUUUORDSA-N 1 0 283.759 3.048 20 5 CGBDRO CCC[C@H]([NH2+]CCN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111106 369495762 /nfs/dbraw/zinc/49/57/62/369495762.db2.gz OZBZTNPXYLTTET-INIZCTEOSA-N 1 0 293.411 3.366 20 5 CGBDRO CCOC(CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OCC ZINC000276495097 193356220 /nfs/dbraw/zinc/35/62/20/193356220.db2.gz ILJNDKXKGGZYRL-GFCCVEGCSA-N 1 0 296.367 3.035 20 5 CGBDRO CS[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090725081 370066814 /nfs/dbraw/zinc/06/68/14/370066814.db2.gz KCNRIVPHVLXXLM-MNOVXSKESA-N 1 0 268.382 3.305 20 5 CGBDRO C[C@@H]1CC[C@@H](C)[NH+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091937435 370083375 /nfs/dbraw/zinc/08/33/75/370083375.db2.gz NGZXHJFRAWOTEH-MVTQWGDUSA-N 1 0 260.337 3.481 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000091937433 370084147 /nfs/dbraw/zinc/08/41/47/370084147.db2.gz NGZXHJFRAWOTEH-ZVYZJRAXSA-N 1 0 260.337 3.481 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC1([NH+](C)C)CCCC1 ZINC000113711120 370479628 /nfs/dbraw/zinc/47/96/28/370479628.db2.gz OTOGAOSJDIFBEA-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cccc1[N+](=O)[O-] ZINC000130967661 371072403 /nfs/dbraw/zinc/07/24/03/371072403.db2.gz CAHREGFJBWQZKJ-AAEUAGOBSA-N 1 0 291.395 3.037 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135452476 371427662 /nfs/dbraw/zinc/42/76/62/371427662.db2.gz SANFRPAFWJMWOQ-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO CC1CC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000135565040 371434819 /nfs/dbraw/zinc/43/48/19/371434819.db2.gz ZMELPTUZQOUROD-UHFFFAOYSA-N 1 0 254.717 3.136 20 5 CGBDRO COc1cc(C)ccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000151028482 371559045 /nfs/dbraw/zinc/55/90/45/371559045.db2.gz QZSASBKNGVHKGE-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000290142304 371915253 /nfs/dbraw/zinc/91/52/53/371915253.db2.gz KRVZRIQWWBQRDJ-LALPHHSUSA-N 1 0 280.368 3.449 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000290543234 372012725 /nfs/dbraw/zinc/01/27/25/372012725.db2.gz ZYVVUUYNDHAKPA-TZMCWYRMSA-N 1 0 298.342 3.422 20 5 CGBDRO CC[C@H](F)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429261383 372331202 /nfs/dbraw/zinc/33/12/02/372331202.db2.gz PMAJQBWSYBQQMB-JTQLQIEISA-N 1 0 254.305 3.168 20 5 CGBDRO COCC(C)(C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000293366696 372366357 /nfs/dbraw/zinc/36/63/57/372366357.db2.gz HRTWIOISYJIALS-GFCCVEGCSA-N 1 0 280.368 3.226 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]CC2CC2)c2cc([N+](=O)[O-])ccc21 ZINC000433148042 372581749 /nfs/dbraw/zinc/58/17/49/372581749.db2.gz PWOYISUJXAHAMJ-CQSZACIVSA-N 1 0 260.337 3.317 20 5 CGBDRO Cc1cc(C[NH2+]CCc2ccccc2[N+](=O)[O-])cs1 ZINC000294170921 372602582 /nfs/dbraw/zinc/60/25/82/372602582.db2.gz JFABQXNSWXKNEY-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCCO[C@@H](C(C)C)C2)cc1[N+](=O)[O-] ZINC000294149716 372595120 /nfs/dbraw/zinc/59/51/20/372595120.db2.gz VGZDEIQEMLGJEY-MRXNPFEDSA-N 1 0 292.379 3.150 20 5 CGBDRO Cc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)c1 ZINC000344614182 217249866 /nfs/dbraw/zinc/24/98/66/217249866.db2.gz DGWDBMSOGCXIJJ-UHFFFAOYSA-N 1 0 280.324 3.394 20 5 CGBDRO CC[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000296122137 373028670 /nfs/dbraw/zinc/02/86/70/373028670.db2.gz VNRNJWKBGRZBIO-MRVPVSSYSA-N 1 0 274.267 3.084 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]3CCC[C@@H]32)c1 ZINC000441441145 373013378 /nfs/dbraw/zinc/01/33/78/373013378.db2.gz AUYCOONTPSTTSQ-BBRMVZONSA-N 1 0 290.363 3.238 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC(C)C ZINC000344805067 217317604 /nfs/dbraw/zinc/31/76/04/217317604.db2.gz CZKWNWZRJFUCEH-LCYFTJDESA-N 1 0 278.352 3.013 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296254626 373070159 /nfs/dbraw/zinc/07/01/59/373070159.db2.gz CZKDZKMTDYAZPU-BBRMVZONSA-N 1 0 294.395 3.434 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000447600702 373463658 /nfs/dbraw/zinc/46/36/58/373463658.db2.gz NBPZDWBMMLTCKW-RQJABVFESA-N 1 0 292.383 3.053 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000300411377 373628615 /nfs/dbraw/zinc/62/86/15/373628615.db2.gz MTMJCPTYCPNKIZ-BYCMXARLSA-N 1 0 292.379 3.367 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449425926 373698972 /nfs/dbraw/zinc/69/89/72/373698972.db2.gz NOLFGNCPTLZWHT-LYKUJDHUSA-N 1 0 258.321 3.092 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])[C@H](C)C1 ZINC000301542181 373784994 /nfs/dbraw/zinc/78/49/94/373784994.db2.gz CPEZNIUOHIJIAQ-ZIAGYGMSSA-N 1 0 291.395 3.070 20 5 CGBDRO CN(CC1([NH+](C)C)CCC1)c1ccc([N+](=O)[O-])cc1Cl ZINC000302501197 373883761 /nfs/dbraw/zinc/88/37/61/373883761.db2.gz OKPMKUUIJYLLOS-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000302750289 373952777 /nfs/dbraw/zinc/95/27/77/373952777.db2.gz VRKVDDHADWTBOR-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@@H]1C[C@@H](N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000302793661 373965137 /nfs/dbraw/zinc/96/51/37/373965137.db2.gz ZXHXQYJOGKGTMB-PWSUYJOCSA-N 1 0 297.786 3.167 20 5 CGBDRO C[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182356471 374263262 /nfs/dbraw/zinc/26/32/62/374263262.db2.gz QHDVMKRSIUOPTB-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182787219 374326012 /nfs/dbraw/zinc/32/60/12/374326012.db2.gz QTRDQGINDSZHNE-KGLIPLIRSA-N 1 0 292.379 3.323 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453297137 374398882 /nfs/dbraw/zinc/39/88/82/374398882.db2.gz HPTIHTNALFXQRL-CVEARBPZSA-N 1 0 292.379 3.377 20 5 CGBDRO CCOc1cc(C[NH+]2[C@@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331187505 374512380 /nfs/dbraw/zinc/51/23/80/374512380.db2.gz UDPXBDJEBZWVPR-RYUDHWBXSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@]1(CO)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000187640719 375062936 /nfs/dbraw/zinc/06/29/36/375062936.db2.gz BMTLJUJEWGNXCA-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]Cc2cc[nH]c2)cc(C(F)(F)F)c1 ZINC000487181724 375206170 /nfs/dbraw/zinc/20/61/70/375206170.db2.gz RZQAGBPSNJSEDQ-UHFFFAOYSA-N 1 0 299.252 3.232 20 5 CGBDRO COc1cc(C[NH2+]CC(C)(C)C(C)C)c([N+](=O)[O-])cc1O ZINC000189470922 375394094 /nfs/dbraw/zinc/39/40/94/375394094.db2.gz VRYRUFVNTALZBV-UHFFFAOYSA-N 1 0 296.367 3.081 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000512201628 375794911 /nfs/dbraw/zinc/79/49/11/375794911.db2.gz KCPBJYFBRNZOOS-LLVKDONJSA-N 1 0 266.316 3.498 20 5 CGBDRO CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000193597563 375896651 /nfs/dbraw/zinc/89/66/51/375896651.db2.gz AZQSRSQDCXGYDV-UHFFFAOYSA-N 1 0 281.312 3.125 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000336815887 375971043 /nfs/dbraw/zinc/97/10/43/375971043.db2.gz JNPFXKZPVQQDAK-YIZWMMSDSA-N 1 0 260.337 3.263 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336785617 375936604 /nfs/dbraw/zinc/93/66/04/375936604.db2.gz ABQWYMLXXIYMBL-SNVBAGLBSA-N 1 0 252.289 3.108 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3cc[nH]c32)cc1 ZINC000218143188 376185183 /nfs/dbraw/zinc/18/51/83/376185183.db2.gz PGKNAJGAPLFRLX-UHFFFAOYSA-N 1 0 281.315 3.366 20 5 CGBDRO CC[C@@H]([NH2+]CCC[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222594152 376239416 /nfs/dbraw/zinc/23/94/16/376239416.db2.gz XXJZUYFTMSLVPB-SWLSCSKDSA-N 1 0 280.368 3.044 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000227790462 376409043 /nfs/dbraw/zinc/40/90/43/376409043.db2.gz ZUGKZFYCKZJULI-ZLKJLUDKSA-N 1 0 278.352 3.059 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054848 376354582 /nfs/dbraw/zinc/35/45/82/376354582.db2.gz CKVAGJMQTHVUMY-CHWSQXEVSA-N 1 0 278.352 3.237 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000226761043 376372062 /nfs/dbraw/zinc/37/20/62/376372062.db2.gz ICFQDWPUAWTNEK-NILFDRSVSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000540591810 376384335 /nfs/dbraw/zinc/38/43/35/376384335.db2.gz FYFUNEVXQXJBAO-CQSZACIVSA-N 1 0 280.368 3.388 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227337803 376391180 /nfs/dbraw/zinc/39/11/80/376391180.db2.gz LMPMPFYJWBRLHK-CYBMUJFWSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@H]1CC(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000338481562 376391512 /nfs/dbraw/zinc/39/15/12/376391512.db2.gz ZCGCXDVNSWXXCD-STQMWFEESA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCCC[N@@H+](C)C(C)C)c1 ZINC000228762335 376447337 /nfs/dbraw/zinc/44/73/37/376447337.db2.gz AQZJUNDYXRQBET-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOCC2CC2)c(Cl)c1 ZINC000230141267 376486504 /nfs/dbraw/zinc/48/65/04/376486504.db2.gz APDKNCKROTWXMK-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000542927803 376593662 /nfs/dbraw/zinc/59/36/62/376593662.db2.gz GFNVYNVNUGMNNC-SNVBAGLBSA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000339003381 376623976 /nfs/dbraw/zinc/62/39/76/376623976.db2.gz PGKOANLQPDDROE-RYUDHWBXSA-N 1 0 295.358 3.409 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000245774733 376904837 /nfs/dbraw/zinc/90/48/37/376904837.db2.gz OMQODYLKIWLXBY-SRMUXQRQSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCOC1 ZINC000245498373 376832951 /nfs/dbraw/zinc/83/29/51/376832951.db2.gz VYRZDCUCPRAAMQ-QWHCGFSZSA-N 1 0 278.352 3.014 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000245884977 376925521 /nfs/dbraw/zinc/92/55/21/376925521.db2.gz ISWIYKCYGWTBAC-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)cc1[N+](=O)[O-] ZINC000246510740 377044542 /nfs/dbraw/zinc/04/45/42/377044542.db2.gz BHBJALOQHOALAZ-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000248199902 377280004 /nfs/dbraw/zinc/28/00/04/377280004.db2.gz YHWHXVNCUBIXMO-XUJVJEKNSA-N 1 0 280.368 3.043 20 5 CGBDRO C[NH+](C)CCCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000341290005 377492833 /nfs/dbraw/zinc/49/28/33/377492833.db2.gz PJLVFWPUOJJPLE-UHFFFAOYSA-N 1 0 292.166 3.265 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CCCC1 ZINC000184658648 249055994 /nfs/dbraw/zinc/05/59/94/249055994.db2.gz YLMPHGPRJUDYKY-SNVBAGLBSA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@H]1CCC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001738 249291395 /nfs/dbraw/zinc/29/13/95/249291395.db2.gz RAHHKMFBFIDKFT-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255583245 377768170 /nfs/dbraw/zinc/76/81/70/377768170.db2.gz OVQGZUGNWSZZPJ-SCXUMTSISA-N 1 0 260.337 3.340 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cccc(OC)c1[N+](=O)[O-] ZINC000579174310 378136109 /nfs/dbraw/zinc/13/61/09/378136109.db2.gz TUDBQBMVNVYEBN-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cncc(F)c1 ZINC000268932105 378156107 /nfs/dbraw/zinc/15/61/07/378156107.db2.gz MYWKHEPYKLCATO-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@H]([NH2+]CCCC(C)(C)CO)c1ccc([N+](=O)[O-])cc1 ZINC000268987452 378166514 /nfs/dbraw/zinc/16/65/14/378166514.db2.gz LRXZPHLPYWAZQE-LBPRGKRZSA-N 1 0 280.368 3.044 20 5 CGBDRO CCC1(CO)CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000270866754 378407106 /nfs/dbraw/zinc/40/71/06/378407106.db2.gz IYLIJSAPCFBZSA-CYBMUJFWSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000272198470 378584012 /nfs/dbraw/zinc/58/40/12/378584012.db2.gz ADQJZSXTYJKSDG-STQMWFEESA-N 1 0 292.379 3.057 20 5 CGBDRO C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)Cc1ccoc1 ZINC000348041179 378763609 /nfs/dbraw/zinc/76/36/09/378763609.db2.gz DADQXCFHDORDMK-UHFFFAOYSA-N 1 0 290.319 3.089 20 5 CGBDRO COc1ccc(C[N@@H+]2CCCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000348164847 378819672 /nfs/dbraw/zinc/81/96/72/378819672.db2.gz CFSSTKVYJXQZSZ-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO Cc1cncc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)c1 ZINC000274375089 378822641 /nfs/dbraw/zinc/82/26/41/378822641.db2.gz LMVARGZSDOSREA-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000348482420 378966166 /nfs/dbraw/zinc/96/61/66/378966166.db2.gz WCJSFZHRDJFLIN-JSGCOSHPSA-N 1 0 298.383 3.498 20 5 CGBDRO COC1CC([N@H+](C)Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000348709398 379024733 /nfs/dbraw/zinc/02/47/33/379024733.db2.gz MPMLCHDTWDWCSD-UHFFFAOYSA-N 1 0 292.379 3.327 20 5 CGBDRO COC1CC[NH+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000347363497 218206168 /nfs/dbraw/zinc/20/61/68/218206168.db2.gz QXJYJPFVNMLNEF-RAXLEYEMSA-N 1 0 290.363 3.109 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)c1 ZINC000370718693 379060132 /nfs/dbraw/zinc/06/01/32/379060132.db2.gz FMHTVVUEBYUZBH-MRXNPFEDSA-N 1 0 297.358 3.054 20 5 CGBDRO CC[C@@H]1CN([C@H](C)c2ccccc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000266552427 190266769 /nfs/dbraw/zinc/26/67/69/190266769.db2.gz USNFUKBTZKZCQM-JHJVBQTASA-N 1 0 278.352 3.155 20 5 CGBDRO C[N@H+]1Cc2ccccc2[C@H](Nc2ccc([N+](=O)[O-])cc2)C1 ZINC000374343489 379427867 /nfs/dbraw/zinc/42/78/67/379427867.db2.gz YHHOFABLQHJQKQ-MRXNPFEDSA-N 1 0 283.331 3.193 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H](C)Cc1ccncc1 ZINC000350111164 379509939 /nfs/dbraw/zinc/50/99/39/379509939.db2.gz VSXWHESOTGVPSO-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO CC[N@H+](C)C[C@H]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000267271034 190316855 /nfs/dbraw/zinc/31/68/55/190316855.db2.gz SHARBNMLUNLGII-LLVKDONJSA-N 1 0 297.786 3.026 20 5 CGBDRO CC(C)Cn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1 ZINC000280712616 379768248 /nfs/dbraw/zinc/76/82/48/379768248.db2.gz BJOCCRLCDSIWLU-UHFFFAOYSA-N 1 0 274.324 3.059 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000352796143 379966716 /nfs/dbraw/zinc/96/67/16/379966716.db2.gz GENKBMDQWRPMBB-KCJUWKMLSA-N 1 0 286.784 3.089 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000354107357 380326960 /nfs/dbraw/zinc/32/69/60/380326960.db2.gz PTJCGMJOWVPINB-GFCCVEGCSA-N 1 0 254.355 3.278 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CSC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000354018940 380282557 /nfs/dbraw/zinc/28/25/57/380282557.db2.gz SZIRDLRYFZSZOA-SWHYSGLUSA-N 1 0 280.393 3.387 20 5 CGBDRO CCCC[C@@H](CN)[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414819503 380430373 /nfs/dbraw/zinc/43/03/73/380430373.db2.gz YXFGYNZKGWWJFM-ZFWWWQNUSA-N 1 0 293.411 3.023 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417376670 380613172 /nfs/dbraw/zinc/61/31/72/380613172.db2.gz RKZGAHWOKFRHCH-SWLSCSKDSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000357025904 380997836 /nfs/dbraw/zinc/99/78/36/380997836.db2.gz QFRCBHDURPNGHO-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000357717765 381263125 /nfs/dbraw/zinc/26/31/25/381263125.db2.gz SIMBTZASXNKLFZ-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000361481503 381765666 /nfs/dbraw/zinc/76/56/66/381765666.db2.gz NSFMNFMEBQWJIJ-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[C@H](C)C1 ZINC000361643050 381853523 /nfs/dbraw/zinc/85/35/23/381853523.db2.gz LKIZXUPZADZUAE-WCQYABFASA-N 1 0 298.408 3.293 20 5 CGBDRO C[C@@H]1CC[C@H](C)C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000362435030 381989927 /nfs/dbraw/zinc/98/99/27/381989927.db2.gz BZIQRFZADBXFPB-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000362435580 381991057 /nfs/dbraw/zinc/99/10/57/381991057.db2.gz DLYQAAQXYAQMFO-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO COC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCCC1 ZINC000449345427 533003312 /nfs/dbraw/zinc/00/33/12/533003312.db2.gz IDQVJOBWNJQOOG-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CC23CCSCC3)cs1 ZINC000421352932 285086423 /nfs/dbraw/zinc/08/64/23/285086423.db2.gz OURXBALEYLNPOG-LLVKDONJSA-N 1 0 298.433 3.279 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2C2CCC2)cc1 ZINC000477651301 285110408 /nfs/dbraw/zinc/11/04/08/285110408.db2.gz ZOSRYLXVKZRHDD-INIZCTEOSA-N 1 0 274.364 3.402 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ccncc2)C1 ZINC000289420952 197339204 /nfs/dbraw/zinc/33/92/04/197339204.db2.gz URIGURWKWRVIEJ-OAHLLOKOSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccoc1)CCC2 ZINC000192717558 285144042 /nfs/dbraw/zinc/14/40/42/285144042.db2.gz JAZLSQBYSOCLBS-HNNXBMFYSA-N 1 0 272.304 3.355 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCO1)CCCC2 ZINC000417299394 285145037 /nfs/dbraw/zinc/14/50/37/285145037.db2.gz MSUWBWIGEFDWRM-GOEBONIOSA-N 1 0 290.363 3.131 20 5 CGBDRO CC[C@H]([NH2+]CCc1cc(C)no1)c1cccc([N+](=O)[O-])c1 ZINC000353978537 220448827 /nfs/dbraw/zinc/44/88/27/220448827.db2.gz LSRQAXOZZMBCSD-HNNXBMFYSA-N 1 0 289.335 3.175 20 5 CGBDRO COC[C@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000368665007 533125063 /nfs/dbraw/zinc/12/50/63/533125063.db2.gz AAPDDGCDPVNFFT-AWEZNQCLSA-N 1 0 292.379 3.152 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CO)CC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000281255677 195170715 /nfs/dbraw/zinc/17/07/15/195170715.db2.gz WHDONONIQTVSHL-ZBFHGGJFSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccc2c(c1)COC2 ZINC000358003663 533462004 /nfs/dbraw/zinc/46/20/04/533462004.db2.gz JIRXJPBMFVIGNF-GFCCVEGCSA-N 1 0 298.342 3.476 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000191062787 130178088 /nfs/dbraw/zinc/17/80/88/130178088.db2.gz SYUUNENWWGVSQT-SGMGOOAPSA-N 1 0 278.352 3.121 20 5 CGBDRO CS[C@H](C)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000193043152 130576513 /nfs/dbraw/zinc/57/65/13/130576513.db2.gz DFEUENIKRHWINA-QMTHXVAHSA-N 1 0 280.393 3.313 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000247078597 131100056 /nfs/dbraw/zinc/10/00/56/131100056.db2.gz SRMXAAKPZCXLKU-CWRNSKLLSA-N 1 0 292.379 3.187 20 5 CGBDRO C[N@@H+]1CCN(c2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2)C1 ZINC000301080182 392584854 /nfs/dbraw/zinc/58/48/54/392584854.db2.gz SUNLBNUZKJCMNE-QGZVFWFLSA-N 1 0 297.358 3.088 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000161635678 392585171 /nfs/dbraw/zinc/58/51/71/392585171.db2.gz WFBUDMWMJYMCAS-MLGOLLRUSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N1CCC[C@H]([NH+](C)C)C1 ZINC000302676927 392619050 /nfs/dbraw/zinc/61/90/50/392619050.db2.gz NDTNBSDJNLDKPS-NSHDSACASA-N 1 0 297.786 3.087 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000311404833 392661454 /nfs/dbraw/zinc/66/14/54/392661454.db2.gz GWGVYADZKMHDLN-NSHDSACASA-N 1 0 266.316 3.498 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)CC1 ZINC000505863430 392703193 /nfs/dbraw/zinc/70/31/93/392703193.db2.gz CTJBHZYABIDYLU-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000194086334 392900354 /nfs/dbraw/zinc/90/03/54/392900354.db2.gz ODQYVGGQSGDYJJ-UHFFFAOYSA-N 1 0 293.342 3.020 20 5 CGBDRO CCC[C@@]1(COC)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000194940547 392947809 /nfs/dbraw/zinc/94/78/09/392947809.db2.gz CXVLZCONOVACBP-AWEZNQCLSA-N 1 0 298.408 3.437 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000248708564 393093051 /nfs/dbraw/zinc/09/30/51/393093051.db2.gz AZAQYTMHWZZDFY-SGIREYDYSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466921414 393070559 /nfs/dbraw/zinc/07/05/59/393070559.db2.gz KRMRYTTYDAQLEN-BETUJISGSA-N 1 0 278.352 3.237 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCCSC1 ZINC000469134016 393177756 /nfs/dbraw/zinc/17/77/56/393177756.db2.gz XEGHCLWVRYCWIA-ICDLMJIXSA-N 1 0 292.404 3.483 20 5 CGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948515 393235407 /nfs/dbraw/zinc/23/54/07/393235407.db2.gz VIMBGULZBSLPHG-HOCLYGCPSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@H](NCC[C@@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728606 393253372 /nfs/dbraw/zinc/25/33/72/393253372.db2.gz MOOMDJJVOCPHSY-KBPBESRZSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C)CC1 ZINC000548180245 393187569 /nfs/dbraw/zinc/18/75/69/393187569.db2.gz WKROGDHCSASTHQ-SNVBAGLBSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000420409850 393484800 /nfs/dbraw/zinc/48/48/00/393484800.db2.gz WILHXBZKDRPVTE-OCCSQVGLSA-N 1 0 297.358 3.046 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601837 393492083 /nfs/dbraw/zinc/49/20/83/393492083.db2.gz WPVZOWITXUMMFY-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)C1CC1 ZINC000430196056 393536232 /nfs/dbraw/zinc/53/62/32/393536232.db2.gz KYHYYBHOLNCIGN-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000430203979 393539470 /nfs/dbraw/zinc/53/94/70/393539470.db2.gz QDHQBWAAWDZPFX-ZDUSSCGKSA-N 1 0 292.379 3.471 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[C@@H](C)C1 ZINC000430241461 393548321 /nfs/dbraw/zinc/54/83/21/393548321.db2.gz VYPOTFPNKWEGOS-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000421044226 393586273 /nfs/dbraw/zinc/58/62/73/393586273.db2.gz SBROKNZNCAVUII-ZIAGYGMSSA-N 1 0 292.379 3.140 20 5 CGBDRO CCOc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000492416514 393731869 /nfs/dbraw/zinc/73/18/69/393731869.db2.gz KSHNKRJELNIGAZ-BETUJISGSA-N 1 0 292.379 3.471 20 5 CGBDRO COCC(C)(C)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000491512613 393694610 /nfs/dbraw/zinc/69/46/10/393694610.db2.gz OUYXXLFQOFZSLN-UHFFFAOYSA-N 1 0 294.395 3.480 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC[C@H]1CCOC1 ZINC000449687002 393942687 /nfs/dbraw/zinc/94/26/87/393942687.db2.gz ZNWXRKPIFGCEHN-GBXSZLQWSA-N 1 0 290.363 3.014 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000558129072 289474111 /nfs/dbraw/zinc/47/41/11/289474111.db2.gz NQSDYFWSQRIZSC-IAQYHMDHSA-N 1 0 287.363 3.397 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282943537 287061884 /nfs/dbraw/zinc/06/18/84/287061884.db2.gz BKUJPVJEICSGMH-BXKDBHETSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H](c1ccco1)[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000069065417 165050645 /nfs/dbraw/zinc/05/06/45/165050645.db2.gz DGEIMKQNDXZCIE-GFCCVEGCSA-N 1 0 290.319 3.260 20 5 CGBDRO CC(C)[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000076066712 165113185 /nfs/dbraw/zinc/11/31/85/165113185.db2.gz YISCUKNXCHYDHY-AWEZNQCLSA-N 1 0 280.393 3.168 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCCO2)cc1[N+](=O)[O-] ZINC000094797546 165391308 /nfs/dbraw/zinc/39/13/08/165391308.db2.gz AFHIDBJDAVAWCF-DOMZBBRYSA-N 1 0 278.352 3.123 20 5 CGBDRO CC[C@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000111254461 287133676 /nfs/dbraw/zinc/13/36/76/287133676.db2.gz ACLWFQKGMVBKBL-LBPRGKRZSA-N 1 0 250.342 3.115 20 5 CGBDRO CCC[C@@H]([NH2+]CCCOC)c1cccc([N+](=O)[O-])c1 ZINC000020143026 171028914 /nfs/dbraw/zinc/02/89/14/171028914.db2.gz PLXUEVMYHVVFTR-CQSZACIVSA-N 1 0 266.341 3.062 20 5 CGBDRO CCC[NH+]1CCC(N[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000020190159 171056381 /nfs/dbraw/zinc/05/63/81/171056381.db2.gz BBCRLGQDOSMLFS-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO CC(C)C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)N(C)C ZINC000020201855 171065953 /nfs/dbraw/zinc/06/59/53/171065953.db2.gz BEVCTYCWDBVHER-BBRMVZONSA-N 1 0 293.411 3.222 20 5 CGBDRO CC[NH+](CC)CCCNc1ccc([N+](=O)[O-])cc1Cl ZINC000021810800 171328833 /nfs/dbraw/zinc/32/88/33/171328833.db2.gz LMMOWBGRHQCYDW-UHFFFAOYSA-N 1 0 285.775 3.392 20 5 CGBDRO CC(C)COCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177126 173010996 /nfs/dbraw/zinc/01/09/96/173010996.db2.gz CQQARZOKZBOTRT-CYBMUJFWSA-N 1 0 280.368 3.308 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)CC(C)C ZINC000037264727 173073191 /nfs/dbraw/zinc/07/31/91/173073191.db2.gz UPRYNCJMBDNCFT-NSHDSACASA-N 1 0 266.341 3.128 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000037264839 173073398 /nfs/dbraw/zinc/07/33/98/173073398.db2.gz HDXLGGLVXGZFCW-NSHDSACASA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1cscn1 ZINC000127415918 287287575 /nfs/dbraw/zinc/28/75/75/287287575.db2.gz HHEPNKNOVOZLAU-NSHDSACASA-N 1 0 291.376 3.162 20 5 CGBDRO C[NH+]1CCC(CNc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000044526300 175191486 /nfs/dbraw/zinc/19/14/86/175191486.db2.gz RCGPAJTZXOMYJP-UHFFFAOYSA-N 1 0 283.759 3.002 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046228903 175394658 /nfs/dbraw/zinc/39/46/58/175394658.db2.gz ORNFQWIOUAHOTC-OAHLLOKOSA-N 1 0 297.358 3.281 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCC[NH2+]C1 ZINC000050163630 175510782 /nfs/dbraw/zinc/51/07/82/175510782.db2.gz WZAUNQWBHXPYPU-NXEZZACHSA-N 1 0 283.759 3.048 20 5 CGBDRO Cc1ncsc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071212579 176084487 /nfs/dbraw/zinc/08/44/87/176084487.db2.gz AWWSODYECNIZBM-SECBINFHSA-N 1 0 277.349 3.211 20 5 CGBDRO Cc1cccnc1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071339558 176130015 /nfs/dbraw/zinc/13/00/15/176130015.db2.gz SIOJYGFDYRGHKH-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ccc(NCC[N@@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC000071377655 176142953 /nfs/dbraw/zinc/14/29/53/176142953.db2.gz MHIBUSDJNRRYFV-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO CO[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000418096584 228041880 /nfs/dbraw/zinc/04/18/80/228041880.db2.gz KFJLINXGWWAXRJ-VFADXPBXSA-N 1 0 292.379 3.259 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2cc(F)ccc2F)cc1 ZINC000040675966 270029972 /nfs/dbraw/zinc/02/99/72/270029972.db2.gz UUIPNACKRZZTMB-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000045691553 270038895 /nfs/dbraw/zinc/03/88/95/270038895.db2.gz VZVOBGQBHCLZFB-ZIAGYGMSSA-N 1 0 293.411 3.284 20 5 CGBDRO CC[C@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)OC ZINC000323055065 270094251 /nfs/dbraw/zinc/09/42/51/270094251.db2.gz RQYUJALLIPJFBT-CYBMUJFWSA-N 1 0 286.759 3.153 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000324784224 270094420 /nfs/dbraw/zinc/09/44/20/270094420.db2.gz JEPZYVQPALULPC-MRXNPFEDSA-N 1 0 290.363 3.272 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C1CC1)C1CCC1 ZINC000324683069 270094534 /nfs/dbraw/zinc/09/45/34/270094534.db2.gz AYEDCJOKQYPYBG-INIZCTEOSA-N 1 0 290.363 3.272 20 5 CGBDRO C[C@@H](Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-])[C@H](C)[NH3+] ZINC000420263239 274264499 /nfs/dbraw/zinc/26/44/99/274264499.db2.gz NLXZQCFABGIARR-NTSWFWBYSA-N 1 0 278.139 3.049 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330605964 275741162 /nfs/dbraw/zinc/74/11/62/275741162.db2.gz NAJYDWWWQLFXEE-GXTWGEPZSA-N 1 0 292.379 3.375 20 5 CGBDRO CC1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000255868769 287881143 /nfs/dbraw/zinc/88/11/43/287881143.db2.gz BFTKDMMDJWEHHN-XQRVVYSFSA-N 1 0 260.337 3.340 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)COC ZINC000358299660 276527858 /nfs/dbraw/zinc/52/78/58/276527858.db2.gz OMHSBYRWZGNZJM-RYUDHWBXSA-N 1 0 298.408 3.090 20 5 CGBDRO CO[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC[C@@H]1C ZINC000252040268 277299958 /nfs/dbraw/zinc/29/99/58/277299958.db2.gz ZJEGICGRQLKHOE-YWPYICTPSA-N 1 0 278.352 3.013 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000294834052 277459311 /nfs/dbraw/zinc/45/93/11/277459311.db2.gz RJLXOKSDNGWWCS-GHMZBOCLSA-N 1 0 295.383 3.031 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000394730713 288003189 /nfs/dbraw/zinc/00/31/89/288003189.db2.gz GXWBLCXHOCJXHR-CQSZACIVSA-N 1 0 260.337 3.407 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2COC(C)(C)C2)cc1[N+](=O)[O-] ZINC000396518846 288013614 /nfs/dbraw/zinc/01/36/14/288013614.db2.gz BVNJZAXBNDYVPL-WCQYABFASA-N 1 0 278.352 3.121 20 5 CGBDRO CCC[C@H]([NH2+]CC1=CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000397612585 288025309 /nfs/dbraw/zinc/02/53/09/288025309.db2.gz CVSRCBXLVKBKSO-INIZCTEOSA-N 1 0 290.363 3.372 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000187318023 278357726 /nfs/dbraw/zinc/35/77/26/278357726.db2.gz XGPXNTAAPHFQPP-LLVKDONJSA-N 1 0 280.393 3.216 20 5 CGBDRO CCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447520081 278674950 /nfs/dbraw/zinc/67/49/50/278674950.db2.gz SEDSNVRLWXQDSA-QWHCGFSZSA-N 1 0 280.372 3.055 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444647398 279079277 /nfs/dbraw/zinc/07/92/77/279079277.db2.gz FAEJAUOVWFNEIE-WDEREUQCSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@H](CF)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000290245955 279276161 /nfs/dbraw/zinc/27/61/61/279276161.db2.gz VFKQMPYMOCQENW-BZPMIXESSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314499426 279485166 /nfs/dbraw/zinc/48/51/66/279485166.db2.gz RMCLDKFNJPIQMN-IHRRRGAJSA-N 1 0 292.379 3.044 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000449348709 279518931 /nfs/dbraw/zinc/51/89/31/279518931.db2.gz NNVYWVRMEQPRJN-NZVBXONLSA-N 1 0 260.337 3.434 20 5 CGBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)C ZINC000521819044 288139383 /nfs/dbraw/zinc/13/93/83/288139383.db2.gz RDWXUUWBUCHDKO-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO C[N@H+](CCNc1ccc(F)cc1[N+](=O)[O-])C1CCCCC1 ZINC000552923157 289202695 /nfs/dbraw/zinc/20/26/95/289202695.db2.gz BJYBMTUWBIGENU-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000553333489 289219872 /nfs/dbraw/zinc/21/98/72/289219872.db2.gz YFBLFVDQLIVNHZ-SGIREYDYSA-N 1 0 292.379 3.449 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)CCC2 ZINC000554088306 289256758 /nfs/dbraw/zinc/25/67/58/289256758.db2.gz JTUKBVPKJIKSQX-AVGNSLFASA-N 1 0 282.290 3.215 20 5 CGBDRO CCOc1cc(C[NH2+][C@H]2CCC2(C)C)ccc1[N+](=O)[O-] ZINC000565666938 322086466 /nfs/dbraw/zinc/08/64/66/322086466.db2.gz UVAMHYQIEPPETN-AWEZNQCLSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1ccc(C[N@@H+]2CC(C)(C)[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000565807753 322092091 /nfs/dbraw/zinc/09/20/91/322092091.db2.gz ZHFJFGDQZNVNHQ-HNNXBMFYSA-N 1 0 290.363 3.224 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCCS1 ZINC000565844488 322094075 /nfs/dbraw/zinc/09/40/75/322094075.db2.gz VVLUQBPKKCEHMH-RISCZKNCSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000566475922 322124997 /nfs/dbraw/zinc/12/49/97/322124997.db2.gz QXAJXCYZMMKCOY-KAOXEZKKSA-N 1 0 272.348 3.360 20 5 CGBDRO Cc1[nH+]c2c(n1Cc1csc([N+](=O)[O-])c1)CCCC2 ZINC000566572144 322130142 /nfs/dbraw/zinc/13/01/42/322130142.db2.gz LCCFPWDKYXUDAC-UHFFFAOYSA-N 1 0 277.349 3.088 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc([N+](=O)[O-])c1 ZINC000568367403 322206441 /nfs/dbraw/zinc/20/64/41/322206441.db2.gz JAQRJUFCAVYGDX-DZGBDDFRSA-N 1 0 260.337 3.434 20 5 CGBDRO Cc1cnccc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000569661983 322253479 /nfs/dbraw/zinc/25/34/79/322253479.db2.gz JBVDUWJMWJLRBJ-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H](C)C(C)C ZINC000572410779 322335976 /nfs/dbraw/zinc/33/59/76/322335976.db2.gz PBCXBDPACSIKTF-GFCCVEGCSA-N 1 0 250.342 3.380 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000572463453 322338224 /nfs/dbraw/zinc/33/82/24/322338224.db2.gz UGNTXIXDFDGDEW-RQJABVFESA-N 1 0 292.379 3.367 20 5 CGBDRO Cc1cccc(OCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000573594985 322396245 /nfs/dbraw/zinc/39/62/45/322396245.db2.gz IINXJTIOBHFVLF-UHFFFAOYSA-N 1 0 278.352 3.158 20 5 CGBDRO CC(C)(C)OCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000575826948 322492015 /nfs/dbraw/zinc/49/20/15/322492015.db2.gz QEBIVLRZSFWFFH-HNNXBMFYSA-N 1 0 292.379 3.377 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000582603423 329114382 /nfs/dbraw/zinc/11/43/82/329114382.db2.gz CTHSYIIJMGONSY-UKRRQHHQSA-N 1 0 292.379 3.464 20 5 CGBDRO CO[C@@H]1[C@H](C)[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000576132264 335158998 /nfs/dbraw/zinc/15/89/98/335158998.db2.gz NIQOULHFBIJTBR-HKCMKHECSA-N 1 0 292.379 3.305 20 5 CGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670115 336058157 /nfs/dbraw/zinc/05/81/57/336058157.db2.gz YPSLIALVKOZYAK-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000382507489 336092061 /nfs/dbraw/zinc/09/20/61/336092061.db2.gz NDVWOKYTMZBQHG-LBPRGKRZSA-N 1 0 266.316 3.498 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CC23CCCC3)cs1 ZINC000386978054 336183297 /nfs/dbraw/zinc/18/32/97/336183297.db2.gz HVCAMHKVDXTJEO-JTQLQIEISA-N 1 0 252.339 3.079 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC23CCCC3)cc1[N+](=O)[O-] ZINC000387062977 336184326 /nfs/dbraw/zinc/18/43/26/336184326.db2.gz VSLNHBXDRPEVTL-AWEZNQCLSA-N 1 0 276.336 3.026 20 5 CGBDRO CS[C@@H]1CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000425349773 533999883 /nfs/dbraw/zinc/99/98/83/533999883.db2.gz LEECNSIGSQYMGA-HUUCEWRRSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CCCC2 ZINC000449287652 534254596 /nfs/dbraw/zinc/25/45/96/534254596.db2.gz XHDNMQAXUPHGKA-SWLSCSKDSA-N 1 0 274.364 3.448 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000413434879 534327136 /nfs/dbraw/zinc/32/71/36/534327136.db2.gz GQUHUEFPRHEWLG-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1cnc([C@@H](C)[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])o1 ZINC000449222495 534621741 /nfs/dbraw/zinc/62/17/41/534621741.db2.gz CTBZUKWOUMORBJ-ZYHUDNBSSA-N 1 0 289.335 3.173 20 5 CGBDRO COc1cc(NCC[NH+](C(C)C)C(C)C)ccc1[N+](=O)[O-] ZINC000111045530 522741734 /nfs/dbraw/zinc/74/17/34/522741734.db2.gz VFDIWPFAXCWXBK-UHFFFAOYSA-N 1 0 295.383 3.134 20 5 CGBDRO CC[C@@H]([NH2+]CC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000087014761 522818058 /nfs/dbraw/zinc/81/80/58/522818058.db2.gz PPBWFRTYSPGECN-CQSZACIVSA-N 1 0 280.368 3.187 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000184461603 522987005 /nfs/dbraw/zinc/98/70/05/522987005.db2.gz XLGSDYQNTHDKCZ-GFCCVEGCSA-N 1 0 280.368 3.308 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CC3)o2)c1 ZINC000049531854 527381223 /nfs/dbraw/zinc/38/12/23/527381223.db2.gz GHMXWYKDUPGCOW-UHFFFAOYSA-N 1 0 258.277 3.107 20 5 CGBDRO CCCC(O)(CCC)C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000119719786 528017616 /nfs/dbraw/zinc/01/76/16/528017616.db2.gz UMDNTGNNSMWCFA-UHFFFAOYSA-N 1 0 280.368 3.016 20 5 CGBDRO CCOc1cccc(NC[C@H](C)[NH+](CC)CC)c1[N+](=O)[O-] ZINC000358253760 528674512 /nfs/dbraw/zinc/67/45/12/528674512.db2.gz IELBZSYVLOHOEP-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162206109 528864827 /nfs/dbraw/zinc/86/48/27/528864827.db2.gz YBUXFVASZPIWDN-BLLLJJGKSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000162239195 528866468 /nfs/dbraw/zinc/86/64/68/528866468.db2.gz VLQPIJMHBURKFX-HZPDHXFCSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@H]([NH2+]CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000268846400 535900621 /nfs/dbraw/zinc/90/06/21/535900621.db2.gz BNOSEYWYLKPINC-INIZCTEOSA-N 1 0 292.379 3.452 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000478481397 536839220 /nfs/dbraw/zinc/83/92/20/536839220.db2.gz POVVTBKPLPEYGU-GOEBONIOSA-N 1 0 292.379 3.196 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)C ZINC000123991104 536955538 /nfs/dbraw/zinc/95/55/38/536955538.db2.gz NGEWXBVIAFKUCD-UHFFFAOYSA-N 1 0 266.341 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CCCCCCC2)c1 ZINC000749648350 573027011 /nfs/dbraw/zinc/02/70/11/573027011.db2.gz SZHGCOHJJPSUDZ-MRXNPFEDSA-N 1 0 292.379 3.331 20 5 CGBDRO CC[NH+](CC)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000049963196 618035269 /nfs/dbraw/zinc/03/52/69/618035269.db2.gz SJNKPZUUXNXZKD-UHFFFAOYSA-N 1 0 299.802 3.070 20 5 CGBDRO COCCC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000234657517 617653233 /nfs/dbraw/zinc/65/32/33/617653233.db2.gz KNYZVXJQPJXVMN-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO CC[N@H+](Cc1ccc(O)c(OC)c1[N+](=O)[O-])C1CCCC1 ZINC000891619405 618242433 /nfs/dbraw/zinc/24/24/33/618242433.db2.gz OCGLVPNMBAVSLS-UHFFFAOYSA-N 1 0 294.351 3.074 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)nc1 ZINC000180417764 618877896 /nfs/dbraw/zinc/87/78/96/618877896.db2.gz VINAHZSGNZSTSG-JTQLQIEISA-N 1 0 291.738 3.494 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000049094097 619693218 /nfs/dbraw/zinc/69/32/18/619693218.db2.gz XREYEILLSFGHCR-WDEREUQCSA-N 1 0 266.341 3.128 20 5 CGBDRO Cc1cnc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897463239 620340108 /nfs/dbraw/zinc/34/01/08/620340108.db2.gz DDZQXOMEEQBBEM-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465463 620340412 /nfs/dbraw/zinc/34/04/12/620340412.db2.gz WVHUQBMZFOGLOQ-RYUDHWBXSA-N 1 0 280.393 3.041 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463960 620340666 /nfs/dbraw/zinc/34/06/66/620340666.db2.gz DGLWWTOQTZCIBU-MJBXVCDLSA-N 1 0 292.379 3.103 20 5 CGBDRO CC1(C)CCC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)O1 ZINC000898049515 620465199 /nfs/dbraw/zinc/46/51/99/620465199.db2.gz IBECJNMDZCPPHF-NSHDSACASA-N 1 0 284.381 3.094 20 5 CGBDRO Cc1c(C[NH+]2CC(Cc3ccoc3)C2)cccc1[N+](=O)[O-] ZINC000898159743 620484000 /nfs/dbraw/zinc/48/40/00/620484000.db2.gz FTPRCSQNGXGZKZ-UHFFFAOYSA-N 1 0 286.331 3.171 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1CNC/C=C\Cl ZINC000898428147 620584847 /nfs/dbraw/zinc/58/48/47/620584847.db2.gz HDHYMRDZLHORGT-RJRFIUFISA-N 1 0 294.660 3.456 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCC(F)(F)F)cc([N+](=O)[O-])c1 ZINC000903109104 621582404 /nfs/dbraw/zinc/58/24/04/621582404.db2.gz DCSDNJOVVZOXSR-QMMMGPOBSA-N 1 0 292.257 3.206 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000903118581 621587879 /nfs/dbraw/zinc/58/78/79/621587879.db2.gz FLMTVGWOIUDGCB-WCQYABFASA-N 1 0 276.336 3.363 20 5 CGBDRO CCC1([NH2+][C@H](C)c2cc(OC)cc([N+](=O)[O-])c2)CC1 ZINC000903180080 621615500 /nfs/dbraw/zinc/61/55/00/621615500.db2.gz WZAHUFGKOKZSIC-SNVBAGLBSA-N 1 0 264.325 3.197 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000903244906 621637104 /nfs/dbraw/zinc/63/71/04/621637104.db2.gz GFQSSUQNWHUQKK-KBPBESRZSA-N 1 0 299.374 3.314 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1(Cl)CC1 ZINC000903247146 621649663 /nfs/dbraw/zinc/64/96/63/621649663.db2.gz ZMSGMRXETYVXCY-GHMZBOCLSA-N 1 0 282.771 3.448 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000903318909 621673798 /nfs/dbraw/zinc/67/37/98/621673798.db2.gz SHQPYOFDRLJIHU-WSXWTOPLSA-N 1 0 275.352 3.016 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)C(C)(C)OC ZINC000903332656 621707420 /nfs/dbraw/zinc/70/74/20/621707420.db2.gz TWLODDKPOJJHCH-WDEREUQCSA-N 1 0 296.367 3.068 20 5 CGBDRO Cc1ncccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000903416087 621735463 /nfs/dbraw/zinc/73/54/63/621735463.db2.gz PCBJCILPLGTIBQ-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO C[NH2+][C@@H](CC(C)C)c1nc(-c2ccc([N+](=O)[O-])s2)no1 ZINC000904109826 621869162 /nfs/dbraw/zinc/86/91/62/621869162.db2.gz HDOIYZTYQCUNGN-QMMMGPOBSA-N 1 0 296.352 3.013 20 5 CGBDRO Cc1ccc(-c2cncc([C@H]3CCC[NH2+]3)c2)cc1[N+](=O)[O-] ZINC000906172835 622167445 /nfs/dbraw/zinc/16/74/45/622167445.db2.gz MMBLRNQCKBBNRG-OAHLLOKOSA-N 1 0 283.331 3.390 20 5 CGBDRO O=[N+]([O-])c1ccccc1CNCc1nccc2c1CCCC2 ZINC000921551020 625670264 /nfs/dbraw/zinc/67/02/64/625670264.db2.gz WSKOQDWJUFHWGE-UHFFFAOYSA-N 1 0 297.358 3.158 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000922538992 626011558 /nfs/dbraw/zinc/01/15/58/626011558.db2.gz ZXRLALVXFXFHBS-YNEHKIRRSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000922842860 626056073 /nfs/dbraw/zinc/05/60/73/626056073.db2.gz NPLLBDIHZDKSJP-WCQYABFASA-N 1 0 280.393 3.277 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@@H]1CCC2(CCC2)O1 ZINC000922967389 626109682 /nfs/dbraw/zinc/10/96/82/626109682.db2.gz HVGYQWDPOFAVKH-AWEZNQCLSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788668917 626185524 /nfs/dbraw/zinc/18/55/24/626185524.db2.gz BQCLPVQQLIJTQE-VHSXEESVSA-N 1 0 263.341 3.016 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000124754562 634497646 /nfs/dbraw/zinc/49/76/46/634497646.db2.gz CWKWSZSKCUIRCM-NSHDSACASA-N 1 0 283.759 3.144 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCC1CCC1 ZINC000776251571 628184327 /nfs/dbraw/zinc/18/43/27/628184327.db2.gz MMDDTEAKSXWHSF-YWEYNIOJSA-N 1 0 260.337 3.388 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278249 628188325 /nfs/dbraw/zinc/18/83/25/628188325.db2.gz SQUIRAHMFBMRKX-DAXOMENPSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+]2C3CCCC2CCC3)cc1 ZINC000776588602 628222167 /nfs/dbraw/zinc/22/21/67/628222167.db2.gz MMBIPJFCOMUQMD-ZBCRRDGASA-N 1 0 290.363 3.035 20 5 CGBDRO CC1(C)CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776589430 628222405 /nfs/dbraw/zinc/22/24/05/628222405.db2.gz SJYUYVBLHWRMRP-OAHLLOKOSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCOC1CCC1 ZINC000777119939 628250676 /nfs/dbraw/zinc/25/06/76/628250676.db2.gz DMQUORGLIKGGSQ-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1nn(C[NH+](CC(C)(C)C)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000779868007 628438834 /nfs/dbraw/zinc/43/88/34/628438834.db2.gz FNAPLQPJTPSTCS-UHFFFAOYSA-N 1 0 296.415 3.451 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCC=CO1 ZINC000786818022 628965214 /nfs/dbraw/zinc/96/52/14/628965214.db2.gz FBQVMVJMDACWKM-RCBBPTIPSA-N 1 0 288.347 3.280 20 5 CGBDRO C[C@@H]([NH2+]CC1(C)CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788638685 629070037 /nfs/dbraw/zinc/07/00/37/629070037.db2.gz IKFQTYAWAZYHIW-LLVKDONJSA-N 1 0 277.368 3.408 20 5 CGBDRO O=[N+]([O-])CC[NH2+]C1(c2ccc(Cl)cc2)CCCCC1 ZINC000791055136 629253236 /nfs/dbraw/zinc/25/32/36/629253236.db2.gz PLSDKIKSPRCUMS-UHFFFAOYSA-N 1 0 282.771 3.366 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCOC2)cc1Cl ZINC000862434092 629371687 /nfs/dbraw/zinc/37/16/87/629371687.db2.gz SPKXOJCYLNXBQM-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000862517803 629390229 /nfs/dbraw/zinc/39/02/29/629390229.db2.gz USQIOLCCCQCDIX-LFNDISMMSA-N 1 0 298.770 3.150 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000804442523 630527300 /nfs/dbraw/zinc/52/73/00/630527300.db2.gz ZLVPCOWTLWQUNK-GFCCVEGCSA-N 1 0 295.770 3.144 20 5 CGBDRO C[C@H]1CCC[N@@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804521192 630534464 /nfs/dbraw/zinc/53/44/64/630534464.db2.gz LNPVRRJBRCREJD-JTQLQIEISA-N 1 0 283.759 3.144 20 5 CGBDRO Cc1cccc(OCCCCCCC[NH3+])c1[N+](=O)[O-] ZINC000818619901 632342417 /nfs/dbraw/zinc/34/24/17/632342417.db2.gz NJBBDHTXPDHFFI-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000818618984 632342872 /nfs/dbraw/zinc/34/28/72/632342872.db2.gz WVAUMDKHKZIICM-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO Cc1nn(CCCCCCC[NH3+])c2ccc([N+](=O)[O-])cc12 ZINC000818620119 632343392 /nfs/dbraw/zinc/34/33/92/632343392.db2.gz RNTMUMWFVLZETD-UHFFFAOYSA-N 1 0 290.367 3.162 20 5 CGBDRO CC[C@H]1CC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819330531 632431616 /nfs/dbraw/zinc/43/16/16/632431616.db2.gz TYTTVAGJOISSLG-NOLJZWGESA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)OCCC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866217718 633033051 /nfs/dbraw/zinc/03/30/51/633033051.db2.gz OWNMGHFDTALHON-GFCCVEGCSA-N 1 0 298.358 3.070 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C(C1CC1)C1CC1 ZINC000866242177 633041185 /nfs/dbraw/zinc/04/11/85/633041185.db2.gz JDACVRCTTBFREJ-SNVBAGLBSA-N 1 0 292.354 3.443 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H](C)c1ccc[nH]1 ZINC000866310930 633076631 /nfs/dbraw/zinc/07/66/31/633076631.db2.gz HGRUVWZBAGVABP-GHMZBOCLSA-N 1 0 291.326 3.344 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccoc1 ZINC000866389874 633117059 /nfs/dbraw/zinc/11/70/59/633117059.db2.gz PULPLAVOQWXGJB-NSHDSACASA-N 1 0 292.310 3.090 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866411083 633126348 /nfs/dbraw/zinc/12/63/48/633126348.db2.gz BPZFPSVYWQXBFH-YGRLFVJLSA-N 1 0 275.352 3.160 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H](O)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000866636474 633224831 /nfs/dbraw/zinc/22/48/31/633224831.db2.gz KYBXNMCMWOYNDX-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]([NH2+]C1CC(C(F)F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000824462537 633248216 /nfs/dbraw/zinc/24/82/16/633248216.db2.gz FCAAZWBZWVRNFF-PUSIOWJLSA-N 1 0 270.279 3.289 20 5 CGBDRO C[C@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000122829533 633518916 /nfs/dbraw/zinc/51/89/16/633518916.db2.gz PCOPAEQAVQONPF-ONGXEEELSA-N 1 0 295.770 3.285 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCCO1 ZINC000872016108 633936825 /nfs/dbraw/zinc/93/68/25/633936825.db2.gz FAFLFERVOZQOSD-PWSUYJOCSA-N 1 0 296.392 3.146 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCOCC1 ZINC000872025166 633945979 /nfs/dbraw/zinc/94/59/79/633945979.db2.gz HJSYOKFCUJLYLO-JTQLQIEISA-N 1 0 296.392 3.146 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872031455 633950831 /nfs/dbraw/zinc/95/08/31/633950831.db2.gz KKUNZXDTBXAFRL-NWDGAFQWSA-N 1 0 297.374 3.115 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CCCO ZINC000872041827 633964916 /nfs/dbraw/zinc/96/49/16/633964916.db2.gz LBKPMFTZRBBUGE-WDEREUQCSA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@@H](O)CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872045322 633968520 /nfs/dbraw/zinc/96/85/20/633968520.db2.gz ZKAQCVAISDKYBV-CMPLNLGQSA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000872053895 633976651 /nfs/dbraw/zinc/97/66/51/633976651.db2.gz NOAAHDMHBLKGND-YDHLFZDLSA-N 1 0 292.379 3.451 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060884 633982853 /nfs/dbraw/zinc/98/28/53/633982853.db2.gz AZLSFUZAUNUDKJ-NSHDSACASA-N 1 0 298.358 3.447 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872067652 633989714 /nfs/dbraw/zinc/98/97/14/633989714.db2.gz RFHSBJFSHNTRRG-NXEZZACHSA-N 1 0 284.356 3.138 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872067654 633990085 /nfs/dbraw/zinc/99/00/85/633990085.db2.gz RFHSBJFSHNTRRG-VHSXEESVSA-N 1 0 284.356 3.138 20 5 CGBDRO COC1(CC[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872074072 633997299 /nfs/dbraw/zinc/99/72/99/633997299.db2.gz VOMCAWOQNHFFST-LLVKDONJSA-N 1 0 296.342 3.344 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCOC1 ZINC000872090742 634015664 /nfs/dbraw/zinc/01/56/64/634015664.db2.gz DDTHUCBFYNRESX-HUUCEWRRSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])CC[N@@H+]1C ZINC000124189704 634182600 /nfs/dbraw/zinc/18/26/00/634182600.db2.gz HZGNUFYFZXRASH-GXSJLCMTSA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1c(C[NH2+]CCCOC2CCCC2)cccc1[N+](=O)[O-] ZINC000873031824 634234272 /nfs/dbraw/zinc/23/42/72/634234272.db2.gz ZSXMTFXAMNWVKI-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)Cc2ccccn2)cccc1[N+](=O)[O-] ZINC000873132660 634253894 /nfs/dbraw/zinc/25/38/94/634253894.db2.gz AZMQFFQNAFYVKK-LBPRGKRZSA-N 1 0 285.347 3.019 20 5 CGBDRO Cc1ccncc1CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873136241 634256286 /nfs/dbraw/zinc/25/62/86/634256286.db2.gz XUAJKOYEWSGOPK-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000873148865 634258246 /nfs/dbraw/zinc/25/82/46/634258246.db2.gz ITLPDFYGHMAALQ-GHMZBOCLSA-N 1 0 288.269 3.252 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834885678 634266580 /nfs/dbraw/zinc/26/65/80/634266580.db2.gz LVZZIIFKMXTVMF-MWLCHTKSSA-N 1 0 299.321 3.263 20 5 CGBDRO CC(C)C(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)C ZINC000877466742 635048686 /nfs/dbraw/zinc/04/86/86/635048686.db2.gz PTRSLUHYAJYVLQ-UHFFFAOYSA-N 1 0 294.399 3.013 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000877635440 635124904 /nfs/dbraw/zinc/12/49/04/635124904.db2.gz QZMDKCPCXQDNLJ-STQMWFEESA-N 1 0 260.337 3.053 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[C@H]2C(F)(F)F)cc1Cl ZINC000877703469 635155690 /nfs/dbraw/zinc/15/56/90/635155690.db2.gz KZPMDOSNQOVEIC-VXNVDRBHSA-N 1 0 294.660 3.289 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000878356255 635473366 /nfs/dbraw/zinc/47/33/66/635473366.db2.gz SKKDIKOTZNKSGJ-DOMZBBRYSA-N 1 0 290.363 3.205 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CCCCO2)CC1 ZINC000880453782 636003297 /nfs/dbraw/zinc/00/32/97/636003297.db2.gz RELRHZLTJUGTBY-UHFFFAOYSA-N 1 0 290.363 3.130 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1(C)CC1 ZINC000848541862 636597346 /nfs/dbraw/zinc/59/73/46/636597346.db2.gz YMCKXMYOMUWIOX-GWCFXTLKSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848546700 636600283 /nfs/dbraw/zinc/60/02/83/636600283.db2.gz CLXWAXFCPNUXNY-JTNHKYCSSA-N 1 0 260.337 3.360 20 5 CGBDRO C=C/C=C\CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000883268340 636639623 /nfs/dbraw/zinc/63/96/23/636639623.db2.gz IZBJSTMLUWXCLQ-VQTKUKTRSA-N 1 0 258.321 3.304 20 5 CGBDRO C[C@H]([NH2+]C1CCC2(COC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000883378159 636719375 /nfs/dbraw/zinc/71/93/75/636719375.db2.gz ANSMFFFVVJRHRI-LBPRGKRZSA-N 1 0 290.363 3.205 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)c3ccccc32)cc1[N+](=O)[O-] ZINC000850370317 637034000 /nfs/dbraw/zinc/03/40/00/637034000.db2.gz CZBZINSOTKNIRX-DOTOQJQBSA-N 1 0 298.342 3.171 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000885969374 637337520 /nfs/dbraw/zinc/33/75/20/637337520.db2.gz QBMGEHFBLXNHEX-HOCLYGCPSA-N 1 0 292.379 3.075 20 5 CGBDRO CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000886001583 637352215 /nfs/dbraw/zinc/35/22/15/637352215.db2.gz DDEVKGBYGQUWCM-HUUCEWRRSA-N 1 0 292.379 3.075 20 5 CGBDRO CC(C)([NH2+]Cc1cccnc1[N+](=O)[O-])c1cccs1 ZINC000886129977 637428375 /nfs/dbraw/zinc/42/83/75/637428375.db2.gz RZORHCDFBGZLSK-UHFFFAOYSA-N 1 0 277.349 3.076 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158357 637440478 /nfs/dbraw/zinc/44/04/78/637440478.db2.gz XSGVJQXORPPORM-AAEUAGOBSA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886315478 637497003 /nfs/dbraw/zinc/49/70/03/637497003.db2.gz NRNKCAYCWRARLN-PVXIVEMSSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c(Cl)c1 ZINC000886568124 637584508 /nfs/dbraw/zinc/58/45/08/637584508.db2.gz AWSVYCFUVYHPBP-PHIMTYICSA-N 1 0 298.795 3.043 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@H]2CC2(F)F)cc1Cl ZINC000857060820 638447182 /nfs/dbraw/zinc/44/71/82/638447182.db2.gz WUEFGCBUWKKOHS-VIFPVBQESA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000925827066 638624789 /nfs/dbraw/zinc/62/47/89/638624789.db2.gz QONVDXKQFRAWPW-ZTFRIQLXSA-N 1 0 297.358 3.390 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCOC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000926272348 638757874 /nfs/dbraw/zinc/75/78/74/638757874.db2.gz WNHYCEFVXXFFTN-LSDHHAIUSA-N 1 0 292.379 3.054 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000927017408 638832287 /nfs/dbraw/zinc/83/22/87/638832287.db2.gz KZOFMJBUTICEKX-HIFRSBDPSA-N 1 0 294.395 3.057 20 5 CGBDRO COC[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(C)C ZINC000927096888 638841289 /nfs/dbraw/zinc/84/12/89/638841289.db2.gz JPZVSTXZXMNPLH-QWHCGFSZSA-N 1 0 280.368 3.164 20 5 CGBDRO CSCC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000932586602 639361557 /nfs/dbraw/zinc/36/15/57/639361557.db2.gz NABNOPQOWCXDFW-UHFFFAOYSA-N 1 0 280.393 3.170 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCOC23CCCC3)cc1[N+](=O)[O-] ZINC000934383135 639599052 /nfs/dbraw/zinc/59/90/52/639599052.db2.gz KRLSOXZGYSRMPL-OAHLLOKOSA-N 1 0 290.363 3.095 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000934626417 639644958 /nfs/dbraw/zinc/64/49/58/639644958.db2.gz GGBQOKSSWMEQDP-IUODEOHRSA-N 1 0 260.337 3.082 20 5 CGBDRO Cc1c(C[N@@H+]2C[C@@H]3CSC[C@]3(C)C2)cccc1[N+](=O)[O-] ZINC000934776046 639673716 /nfs/dbraw/zinc/67/37/16/639673716.db2.gz SUSXRVDSNVSCIM-HIFRSBDPSA-N 1 0 292.404 3.088 20 5 CGBDRO C[NH+](C)C1(CNc2cc(Cl)ccc2[N+](=O)[O-])CCC1 ZINC000097934061 640882966 /nfs/dbraw/zinc/88/29/66/640882966.db2.gz HWHCLWTVLIZWGH-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001252280595 806036321 /nfs/dbraw/zinc/03/63/21/806036321.db2.gz RDDCOZZVAHZIKA-GXTWGEPZSA-N 1 0 280.393 3.311 20 5 CGBDRO C[NH+]1C(C)(C)CC(Nc2cc([N+](=O)[O-])ccn2)CC1(C)C ZINC001159391139 806093057 /nfs/dbraw/zinc/09/30/57/806093057.db2.gz CMYGYOOFMCSYBP-UHFFFAOYSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)C[NH2+]CCO3)cc1[N+](=O)[O-] ZINC001159797164 806175787 /nfs/dbraw/zinc/17/57/87/806175787.db2.gz VAIAKXCQEDPDAW-UHFFFAOYSA-N 1 0 299.330 3.129 20 5 CGBDRO Cc1c(C)c(-n2ccc3cccc(C[NH3+])c32)ncc1[N+](=O)[O-] ZINC001160456404 806273826 /nfs/dbraw/zinc/27/38/26/806273826.db2.gz HXNCFJNKRXQQRZ-UHFFFAOYSA-N 1 0 296.330 3.009 20 5 CGBDRO [NH3+]C/C=C/CNc1ccc2ccc3ccc(Cl)nc3c2n1 ZINC001160983266 806332549 /nfs/dbraw/zinc/33/25/49/806332549.db2.gz WUZHJXXVRLGEHN-OWOJBTEDSA-N 1 0 298.777 3.363 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)C[C@H]1CF ZINC001254551678 806447875 /nfs/dbraw/zinc/44/78/75/806447875.db2.gz CXAMTYIQMXESND-SCRDCRAPSA-N 1 0 280.343 3.206 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CCC2 ZINC001254546364 806447915 /nfs/dbraw/zinc/44/79/15/806447915.db2.gz RSTXFRNZKCRAMS-FZMZJTMJSA-N 1 0 260.337 3.058 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC001254550555 806448012 /nfs/dbraw/zinc/44/80/12/806448012.db2.gz LRYIYPQUYKQCOS-OLZOCXBDSA-N 1 0 262.353 3.400 20 5 CGBDRO CO[C@H]1CC[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254551012 806448084 /nfs/dbraw/zinc/44/80/84/806448084.db2.gz VKKZQJQQZQQREE-YUELXQCFSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CCC2)C1 ZINC001254559511 806449163 /nfs/dbraw/zinc/44/91/63/806449163.db2.gz KMPJYTJDOWYJFW-CYBMUJFWSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCC2(CC2)CC1 ZINC001254553287 806449804 /nfs/dbraw/zinc/44/98/04/806449804.db2.gz ULVDOTQRLJJFKA-ZDUSSCGKSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)CCCC2 ZINC001254553749 806450061 /nfs/dbraw/zinc/45/00/61/806450061.db2.gz YJGATABHYFIAIZ-ZDUSSCGKSA-N 1 0 274.364 3.402 20 5 CGBDRO CC[N@H+](Cc1ccccn1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254560268 806450680 /nfs/dbraw/zinc/45/06/80/806450680.db2.gz QYVJVUMPGVOQBV-AWEZNQCLSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254564833 806451006 /nfs/dbraw/zinc/45/10/06/806451006.db2.gz ATJQRESDNODFQL-IVMMDQJWSA-N 1 0 288.391 3.478 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254573952 806454168 /nfs/dbraw/zinc/45/41/68/806454168.db2.gz DWNMUCASGZOTBW-WFASDCNBSA-N 1 0 297.358 3.116 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254574882 806454823 /nfs/dbraw/zinc/45/48/23/806454823.db2.gz LSOZJYRVBXMMQT-NVXWUHKLSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]3CCC[C@H]3C1)C2 ZINC001254594610 806456766 /nfs/dbraw/zinc/45/67/66/806456766.db2.gz RVJTUSLGICBUAG-RVSPLBMKSA-N 1 0 286.375 3.184 20 5 CGBDRO C[C@@]1(F)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599679 806458325 /nfs/dbraw/zinc/45/83/25/806458325.db2.gz OJYKRMHSYVNHEH-HZPDHXFCSA-N 1 0 292.354 3.276 20 5 CGBDRO CC(C)[N@H+](CC1CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254598538 806458387 /nfs/dbraw/zinc/45/83/87/806458387.db2.gz HLWUZWYZCKIFGF-MRXNPFEDSA-N 1 0 274.364 3.182 20 5 CGBDRO [NH3+][C@H]1CCC[C@H](Nc2cc3cccnc3c3ncccc23)C1 ZINC001162402473 806577950 /nfs/dbraw/zinc/57/79/50/806577950.db2.gz SGDCWTCRZXBWMM-KBPBESRZSA-N 1 0 292.386 3.465 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC001162984046 806690307 /nfs/dbraw/zinc/69/03/07/806690307.db2.gz BWURJIYMJWTDCQ-XJKSGUPXSA-N 1 0 289.379 3.217 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[C@@H]3C[NH2+]C[C@@H]32)c2ccccc21 ZINC001163267219 806734605 /nfs/dbraw/zinc/73/46/05/806734605.db2.gz NFWYLYUCRBKFCS-WPGHFRTFSA-N 1 0 297.358 3.158 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000353629389 799330074 /nfs/dbraw/zinc/33/00/74/799330074.db2.gz FPMDKVQKPOKECS-GXFFZTMASA-N 1 0 286.335 3.046 20 5 CGBDRO Cc1c(C[NH2+]CCSC(C)C)cccc1[N+](=O)[O-] ZINC000385507198 799426440 /nfs/dbraw/zinc/42/64/40/799426440.db2.gz VJGRCUXLLRVFLX-UHFFFAOYSA-N 1 0 268.382 3.134 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cs1 ZINC000403561988 799568009 /nfs/dbraw/zinc/56/80/09/799568009.db2.gz CSLAGPPQFRXSAH-FGWVZKOKSA-N 1 0 284.406 3.173 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CC1(F)F ZINC000689703224 799767665 /nfs/dbraw/zinc/76/76/65/799767665.db2.gz FQABSMHGHOVQMR-LLVKDONJSA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@@H]([NH2+]CC1SCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000692851082 799801720 /nfs/dbraw/zinc/80/17/20/799801720.db2.gz LLUSXCJOMFEHKP-SECBINFHSA-N 1 0 284.406 3.052 20 5 CGBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000693111332 799807138 /nfs/dbraw/zinc/80/71/38/799807138.db2.gz UGTMUDADZVSCMG-NSHDSACASA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)(F)CC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000698306657 799854688 /nfs/dbraw/zinc/85/46/88/799854688.db2.gz KSARBYLWAVIMPJ-UHFFFAOYSA-N 1 0 274.723 3.476 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@@H]1C=CCC1 ZINC000698286073 799855694 /nfs/dbraw/zinc/85/56/94/799855694.db2.gz YYRUQQZFRAWYKJ-LLVKDONJSA-N 1 0 252.701 3.056 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000701049335 799883688 /nfs/dbraw/zinc/88/36/88/799883688.db2.gz IHAIIWVUSIZEJY-PUXPGTEJSA-N 1 0 298.770 3.150 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000702003372 799902315 /nfs/dbraw/zinc/90/23/15/799902315.db2.gz LCKXEUSFKVAIFF-JIMOISOXSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000704813528 799941387 /nfs/dbraw/zinc/94/13/87/799941387.db2.gz IHAMZMWNXOLWTR-RYUDHWBXSA-N 1 0 280.393 3.389 20 5 CGBDRO CC1(C)CCC[C@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])O1 ZINC000714348748 800119218 /nfs/dbraw/zinc/11/92/18/800119218.db2.gz CNNMCKQBNQBBOU-CYBMUJFWSA-N 1 0 278.352 3.032 20 5 CGBDRO CC[C@H]([NH2+][C@H]1C[C@@H](COC)C1)c1cccc([N+](=O)[O-])c1 ZINC000714429516 800122172 /nfs/dbraw/zinc/12/21/72/800122172.db2.gz HUBPSKHCJGCXKX-LNSITVRQSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000717563715 800204887 /nfs/dbraw/zinc/20/48/87/800204887.db2.gz SXPJYVQPSXWUEU-RISCZKNCSA-N 1 0 278.352 3.061 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000718738503 800220349 /nfs/dbraw/zinc/22/03/49/800220349.db2.gz YPZQJKSFOHDHJL-HIFRSBDPSA-N 1 0 278.352 3.032 20 5 CGBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC(F)(F)C1 ZINC000720920820 800272293 /nfs/dbraw/zinc/27/22/93/800272293.db2.gz WHOZPMHEXPYENZ-UHFFFAOYSA-N 1 0 288.269 3.259 20 5 CGBDRO CCO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000721194058 800279937 /nfs/dbraw/zinc/27/99/37/800279937.db2.gz NGRWDTNUORDQQH-UKRRQHHQSA-N 1 0 278.352 3.032 20 5 CGBDRO CC(C)N(CCC[NH3+])c1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001164127291 806897991 /nfs/dbraw/zinc/89/79/91/806897991.db2.gz UPTSSAYJWYNRPK-UHFFFAOYSA-N 1 0 293.411 3.456 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCCC(F)F)cc([N+](=O)[O-])c1 ZINC001120365970 802742429 /nfs/dbraw/zinc/74/24/29/802742429.db2.gz RFICUHPHWAWXFR-SECBINFHSA-N 1 0 288.294 3.299 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@H]1CCC[N@@H+](C)C1 ZINC001165279842 806986357 /nfs/dbraw/zinc/98/63/57/806986357.db2.gz ZSJYTIOQICTXRR-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CCC1(Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C[NH2+]C1 ZINC001168582272 807452209 /nfs/dbraw/zinc/45/22/09/807452209.db2.gz LXYNVYYXWBVJKU-UHFFFAOYSA-N 1 0 297.358 3.426 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168964442 807542450 /nfs/dbraw/zinc/54/24/50/807542450.db2.gz SKIYXZYEXDWLET-MISXGVKJSA-N 1 0 282.771 3.436 20 5 CGBDRO CC(C)c1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168987201 807546652 /nfs/dbraw/zinc/54/66/52/807546652.db2.gz HMZZEYUTLPPGPV-NVXWUHKLSA-N 1 0 290.407 3.388 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)C1 ZINC001168990865 807548241 /nfs/dbraw/zinc/54/82/41/807548241.db2.gz FCXUVOGHQYFWNM-XFJVYGCCSA-N 1 0 292.354 3.238 20 5 CGBDRO Cc1ccc(Cl)c(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168988058 807548348 /nfs/dbraw/zinc/54/83/48/807548348.db2.gz NBOVSRQDZCOWKW-AAEUAGOBSA-N 1 0 282.771 3.183 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168998465 807548808 /nfs/dbraw/zinc/54/88/08/807548808.db2.gz NIVLHTPDBZYMMY-UMVBOHGHSA-N 1 0 292.379 3.181 20 5 CGBDRO CCc1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168996963 807549097 /nfs/dbraw/zinc/54/90/97/807549097.db2.gz WZTMEWNNXQXFJL-INWMFGNUSA-N 1 0 276.380 3.345 20 5 CGBDRO C[C@H]1[C@H]2C[C@@H](C[C@H]1[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C2(C)C ZINC001168997592 807549297 /nfs/dbraw/zinc/54/92/97/807549297.db2.gz DRGULIUNIICFIU-PKCACUDHSA-N 1 0 280.412 3.092 20 5 CGBDRO CC1(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998539 807549461 /nfs/dbraw/zinc/54/94/61/807549461.db2.gz OKBOPUHIAHWGMB-NEPJUHHUSA-N 1 0 290.354 3.237 20 5 CGBDRO Cc1cccc(C(C)(C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168995187 807549517 /nfs/dbraw/zinc/54/95/17/807549517.db2.gz RXCVJIOCKQGVKC-HIFRSBDPSA-N 1 0 276.380 3.265 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001169004058 807550824 /nfs/dbraw/zinc/55/08/24/807550824.db2.gz PKJJLGXVHWHRRL-SUNKGSAMSA-N 1 0 298.333 3.451 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001169025440 807554761 /nfs/dbraw/zinc/55/47/61/807554761.db2.gz IXTMVHHOAMPIBJ-FVQBIDKESA-N 1 0 274.364 3.269 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC(c3cccs3)CC2)C1 ZINC001169029001 807556089 /nfs/dbraw/zinc/55/60/89/807556089.db2.gz TUHSYAANUQBLEM-OCCSQVGLSA-N 1 0 294.420 3.373 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)C1 ZINC001169038425 807557674 /nfs/dbraw/zinc/55/76/74/807557674.db2.gz YSQHVDGSRCIQGE-RDBSUJKOSA-N 1 0 292.354 3.060 20 5 CGBDRO CC(C)c1nc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cs1 ZINC001169040233 807557720 /nfs/dbraw/zinc/55/77/20/807557720.db2.gz YYYJRKDTPIPSOC-DGCLKSJQSA-N 1 0 297.424 3.144 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccccc3F)C2)C1 ZINC001169038420 807557820 /nfs/dbraw/zinc/55/78/20/807557820.db2.gz YSQHVDGSRCIQGE-HZSPNIEDSA-N 1 0 292.354 3.060 20 5 CGBDRO c1ccc2cc3c(cc2c1)ncnc3NCC[C@H]1CCC[NH2+]1 ZINC001169562427 807666775 /nfs/dbraw/zinc/66/67/75/807666775.db2.gz DRMLAJVMFWWDRZ-OAHLLOKOSA-N 1 0 292.386 3.337 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH3+])CCCN2c1ccc([N+](=O)[O-])cn1 ZINC001169684975 807686756 /nfs/dbraw/zinc/68/67/56/807686756.db2.gz XWKOUHPJIJAPPE-AWEZNQCLSA-N 1 0 298.346 3.230 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]C[Si](C)(C)C)c([N+](=O)[O-])c1 ZINC001170315294 807824135 /nfs/dbraw/zinc/82/41/35/807824135.db2.gz WRPHEPFRBKCHCT-NSHDSACASA-N 1 0 296.443 3.001 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170328684 807826231 /nfs/dbraw/zinc/82/62/31/807826231.db2.gz LJZDVPUTTOGKQS-QWHCGFSZSA-N 1 0 292.379 3.409 20 5 CGBDRO CC(C)[C@H]([NH2+]CC[N+](=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001262238374 807839871 /nfs/dbraw/zinc/83/98/71/807839871.db2.gz XXFMVWSUNBHLTL-LBPRGKRZSA-N 1 0 290.285 3.269 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(C1)CCCC2 ZINC001173221593 808539607 /nfs/dbraw/zinc/53/96/07/808539607.db2.gz KLGWPZFZEKUHMH-CYBMUJFWSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC001173218644 808540011 /nfs/dbraw/zinc/54/00/11/808540011.db2.gz RHVBDOCPJUFBET-GXTWGEPZSA-N 1 0 292.379 3.073 20 5 CGBDRO [NH3+]CCN(CCC1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC001181463906 810054343 /nfs/dbraw/zinc/05/43/43/810054343.db2.gz HGYBINQOKLEXKF-UHFFFAOYSA-N 1 0 291.395 3.330 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018156 810229829 /nfs/dbraw/zinc/22/98/29/810229829.db2.gz WVAGFGAHOJGACB-NEPJUHHUSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccc1[N+](=O)[O-] ZINC001186872719 810368659 /nfs/dbraw/zinc/36/86/59/810368659.db2.gz PMHLBQYIGYWIPO-GDBMZVCRSA-N 1 0 289.379 3.332 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)C[C@@H]1C ZINC001195196680 811223823 /nfs/dbraw/zinc/22/38/23/811223823.db2.gz VVQCPGXDZVJRKT-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@@H]1CN(Cc2cccc([N+](=O)[O-])c2C)C[C@@H](CC)O1 ZINC001195298704 811238584 /nfs/dbraw/zinc/23/85/84/811238584.db2.gz HHXDDMGXMHQQPH-HUUCEWRRSA-N 1 0 292.379 3.293 20 5 CGBDRO COc1cc(C[NH2+][C@H](C)C2(C)CC2)c([N+](=O)[O-])cc1F ZINC001198407522 811498570 /nfs/dbraw/zinc/49/85/70/811498570.db2.gz WFARGCHBLMKZCG-SECBINFHSA-N 1 0 282.315 3.021 20 5 CGBDRO Cc1ccc2[nH+]c(N)n(-c3cc([N+](=O)[O-])ccc3C)c2c1 ZINC001211286741 814870844 /nfs/dbraw/zinc/87/08/44/814870844.db2.gz ZGVPNLURCNEMMY-UHFFFAOYSA-N 1 0 282.303 3.133 20 5 CGBDRO [NH3+]CCCO[C@@H](c1ccccc1)c1ccccc1[N+](=O)[O-] ZINC001217927203 816002340 /nfs/dbraw/zinc/00/23/40/816002340.db2.gz AJSAKPNERSEXIT-INIZCTEOSA-N 1 0 286.331 3.050 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001217951039 816013938 /nfs/dbraw/zinc/01/39/38/816013938.db2.gz PGDJVAMSNHUAOJ-CZIWCDLHSA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@@H]3CCC[NH2+]C3)c2)c1 ZINC001217962887 816019493 /nfs/dbraw/zinc/01/94/93/816019493.db2.gz JFYQAHYQJSGCBI-QGZVFWFLSA-N 1 0 298.342 3.393 20 5 CGBDRO Oc1c2ccccc2c(O[C@@H]2C[NH2+]C[C@@H]2F)c2ccccc12 ZINC001217997559 816042994 /nfs/dbraw/zinc/04/29/94/816042994.db2.gz DUSLFCSWLSBUNM-JKSUJKDBSA-N 1 0 297.329 3.387 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Cl)c([N+](=O)[O-])c1 ZINC001218030070 816064587 /nfs/dbraw/zinc/06/45/87/816064587.db2.gz PEZWHXOQDYHGLF-ZANVPECISA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1O[C@@H]1CC[NH2+]C1 ZINC001218039214 816069432 /nfs/dbraw/zinc/06/94/32/816069432.db2.gz XRONMGPLIGXVAT-CQSZACIVSA-N 1 0 284.315 3.003 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc(-c3cccc([N+](=O)[O-])c3)cc2)C[NH2+]1 ZINC001218039928 816070222 /nfs/dbraw/zinc/07/02/22/816070222.db2.gz IWHGLOZNUJMJFM-SJKOYZFVSA-N 1 0 298.342 3.391 20 5 CGBDRO C[C@@H]1C[C@H](Oc2c3ccccc3ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056555 816079240 /nfs/dbraw/zinc/07/92/40/816079240.db2.gz OXZQZLCYAXQKJL-DGCLKSJQSA-N 1 0 286.331 3.267 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)cc1Cl ZINC001218146470 816114150 /nfs/dbraw/zinc/11/41/50/816114150.db2.gz NYKLUCZUTBEOMW-OLUVUFQESA-N 1 0 296.754 3.015 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@H]2CC[NH2+]C3(CCC3)C2)c(Cl)c1 ZINC001218305572 816158575 /nfs/dbraw/zinc/15/85/75/816158575.db2.gz FTGCNQHMFSVQOL-NSHDSACASA-N 1 0 296.754 3.302 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC001218305044 816158691 /nfs/dbraw/zinc/15/86/91/816158691.db2.gz BQRYQAPOJHMAFM-LLVKDONJSA-N 1 0 296.754 3.302 20 5 CGBDRO C[C@@H]1CC[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218393581 816188851 /nfs/dbraw/zinc/18/88/51/816188851.db2.gz OJUPJHFFQKGUCB-YPMHNXCESA-N 1 0 292.379 3.412 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1C[NH2+]Cc2ccccc21 ZINC001218489450 816243303 /nfs/dbraw/zinc/24/33/03/816243303.db2.gz OVRBRGHAKCGWGH-HNNXBMFYSA-N 1 0 298.342 3.435 20 5 CGBDRO Cc1ccc(CO[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC001223222605 816591003 /nfs/dbraw/zinc/59/10/03/816591003.db2.gz LKEYRKZHEHZCKS-QDMKHBRRSA-N 1 0 290.363 3.045 20 5 CGBDRO CC[NH+](CC)C[C@H](C)O[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001223428342 816628511 /nfs/dbraw/zinc/62/85/11/816628511.db2.gz FKNRIRXSXIOQQG-STQMWFEESA-N 1 0 280.368 3.403 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1cc(-c2cccs2)on1 ZINC001223660038 816664353 /nfs/dbraw/zinc/66/43/53/816664353.db2.gz YLPJJQFJUSZCNX-LLVKDONJSA-N 1 0 281.401 3.014 20 5 CGBDRO Cc1oc(-c2ccccc2)nc1CO[C@H](C)C[N+](C)(C)C ZINC001223922603 816702526 /nfs/dbraw/zinc/70/25/26/816702526.db2.gz OBXHSALBBPWCAD-CYBMUJFWSA-N 1 0 289.399 3.261 20 5 CGBDRO Cc1ccc([C@H](C)OCCC[N+](C)(C)C)c(C)c1 ZINC001224624581 816835495 /nfs/dbraw/zinc/83/54/95/816835495.db2.gz XRBOMCNEVZEEPP-HNNXBMFYSA-N 1 0 250.406 3.477 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1ccc(C(F)(F)F)cc1 ZINC001224771074 816878214 /nfs/dbraw/zinc/87/82/14/816878214.db2.gz FLEPVONDRQPYCM-NSHDSACASA-N 1 0 276.322 3.489 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2nc(Cl)ccc2c1 ZINC001225389718 817036570 /nfs/dbraw/zinc/03/65/70/817036570.db2.gz IUORVLACWHLPIC-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cccc(OC2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001225633999 817121244 /nfs/dbraw/zinc/12/12/44/817121244.db2.gz XYMCYMIOQPFXBE-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1cccc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1[N+](=O)[O-] ZINC001225635263 817121399 /nfs/dbraw/zinc/12/13/99/817121399.db2.gz CPMINGXDZHHXMV-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](Oc2cccc([N+](=O)[O-])c2Cl)C1 ZINC001225788834 817179882 /nfs/dbraw/zinc/17/98/82/817179882.db2.gz PHOONIQUFNRHIH-LLVKDONJSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(Br)c1F ZINC001226130210 817280958 /nfs/dbraw/zinc/28/09/58/817280958.db2.gz YMDPZEARNHQVCP-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2ccc(O)cc21 ZINC001227571480 817673893 /nfs/dbraw/zinc/67/38/93/817673893.db2.gz GMWPDHZJLLWTQV-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc2ccccc2c3=O)C1 ZINC001228181014 817832667 /nfs/dbraw/zinc/83/26/67/817832667.db2.gz XXXNDVJVYPCWEB-ZDUSSCGKSA-N 1 0 295.338 3.029 20 5 CGBDRO Cc1cc(C)c(OC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC001228229272 817844941 /nfs/dbraw/zinc/84/49/41/817844941.db2.gz HCRBSTWKMOCFDQ-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc3nc4ccccc4nc3c2)C1 ZINC001228740682 817995790 /nfs/dbraw/zinc/99/57/90/817995790.db2.gz KOJMWSKGHKRBCT-CQSZACIVSA-N 1 0 293.370 3.256 20 5 CGBDRO COc1ccc2c(cccc2O[C@H](C)C[N+](C)(C)C)c1 ZINC001228748572 817998592 /nfs/dbraw/zinc/99/85/92/817998592.db2.gz DWWQCHWCCYLSFK-CYBMUJFWSA-N 1 0 274.384 3.322 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228754388 817999615 /nfs/dbraw/zinc/99/96/15/817999615.db2.gz BICQLTBCYUXCFU-SNVBAGLBSA-N 1 0 284.743 3.111 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1nc2cccc(Cl)c2s1 ZINC001233748436 818696202 /nfs/dbraw/zinc/69/62/02/818696202.db2.gz WDIQUNABGYILOZ-SECBINFHSA-N 1 0 285.820 3.423 20 5 CGBDRO COc1c(Cl)cc(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001234227695 818807507 /nfs/dbraw/zinc/80/75/07/818807507.db2.gz SCUZBXYTQGSGPT-VIFPVBQESA-N 1 0 293.214 3.476 20 5 CGBDRO CSc1cccc(F)c1O[C@@H](C)C[N+](C)(C)C ZINC001234248192 818816123 /nfs/dbraw/zinc/81/61/23/818816123.db2.gz AXGNGZYFKUXMTE-JTQLQIEISA-N 1 0 258.382 3.021 20 5 CGBDRO CSc1cc(F)cc(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234295957 818830540 /nfs/dbraw/zinc/83/05/40/818830540.db2.gz TVVWXXQSZZKNRH-JTQLQIEISA-N 1 0 258.382 3.021 20 5 CGBDRO Cc1cc(C(F)(F)F)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001234914257 818950828 /nfs/dbraw/zinc/95/08/28/818950828.db2.gz DKZMVSYCMBQHKP-NSHDSACASA-N 1 0 276.322 3.487 20 5 CGBDRO CN(Cc1c2ccccc2cc2ccccc21)C1C[NH2+]C1 ZINC001235921293 819222276 /nfs/dbraw/zinc/22/22/76/819222276.db2.gz MNRNHOWREPYMNO-UHFFFAOYSA-N 1 0 276.383 3.397 20 5 CGBDRO c1cnc2c(c1)ccc1c(C3=CCC[NH2+]C3)ccnc12 ZINC001240671339 821232812 /nfs/dbraw/zinc/23/28/12/821232812.db2.gz SFHLAAQBQFUTHG-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO CCC[C@H]1CCC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC001460900315 937551588 /nfs/dbraw/zinc/55/15/88/937551588.db2.gz JFWCOIRNTOMUTA-ZDUSSCGKSA-N 1 0 278.352 3.368 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])cc1C ZINC001228916517 932051682 /nfs/dbraw/zinc/05/16/82/932051682.db2.gz UACFVEMNSBUEKT-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO CC[C@@H](C)C[C@H](CO)[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001461588493 937587133 /nfs/dbraw/zinc/58/71/33/937587133.db2.gz IUQWKDNODNEJLJ-BXUZGUMPSA-N 1 0 294.395 3.098 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CC[NH+](C2CC2)CC1 ZINC001229882674 932497584 /nfs/dbraw/zinc/49/75/84/932497584.db2.gz PUSDTFLKUXRVNA-UHFFFAOYSA-N 1 0 290.363 3.217 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2nccc3c4ccccc4ccc32)C1 ZINC001230199577 932539546 /nfs/dbraw/zinc/53/95/46/932539546.db2.gz BWJCZHVCCGDOFQ-CQSZACIVSA-N 1 0 278.355 3.471 20 5 CGBDRO Cc1cc(OC2CCC([NH+](C)C)CC2)cc([N+](=O)[O-])c1C ZINC001230471979 932575902 /nfs/dbraw/zinc/57/59/02/932575902.db2.gz WZRWIHHOSWYDSP-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO C[C@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1cccc([N+](=O)[O-])c1 ZINC001230515646 932582685 /nfs/dbraw/zinc/58/26/85/932582685.db2.gz KYQWHBQWFYAIDT-VIFPVBQESA-N 1 0 298.302 3.193 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)C1(C)C ZINC001308298782 933091752 /nfs/dbraw/zinc/09/17/52/933091752.db2.gz YKYJOBQOGHEUHW-CABCVRRESA-N 1 0 292.379 3.115 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC1CC=CC1 ZINC001308464530 933114802 /nfs/dbraw/zinc/11/48/02/933114802.db2.gz DYWLXMYXRAFELY-UHFFFAOYSA-N 1 0 260.337 3.267 20 5 CGBDRO CC(C)SCC[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001474728450 933777972 /nfs/dbraw/zinc/77/79/72/933777972.db2.gz XZUCVBLNEONPNQ-LBPRGKRZSA-N 1 0 282.409 3.430 20 5 CGBDRO CCC[N@H+](CC[N+](=O)[O-])[C@@H](CC)c1ccccc1 ZINC001473126759 937793987 /nfs/dbraw/zinc/79/39/87/937793987.db2.gz ZPJXSFZTDOJTQU-AWEZNQCLSA-N 1 0 250.342 3.126 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H]1C ZINC001473403106 937805251 /nfs/dbraw/zinc/80/52/51/937805251.db2.gz QSJQWNYCAXIEGQ-MNOVXSKESA-N 1 0 289.335 3.356 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC001473657382 937816182 /nfs/dbraw/zinc/81/61/82/937816182.db2.gz JNJWEOMHKHALRB-LQDVMPOASA-N 1 0 290.363 3.237 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC001332394927 935464984 /nfs/dbraw/zinc/46/49/84/935464984.db2.gz CNCOPVYBMZNUCC-FRRDWIJNSA-N 1 0 296.317 3.427 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC001333671981 935559456 /nfs/dbraw/zinc/55/94/56/935559456.db2.gz SXMSXCSGDGLDAQ-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO COC/C(C)=C/C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC001333905682 936075005 /nfs/dbraw/zinc/07/50/05/936075005.db2.gz VAJCZCPXYWMRIB-SVTZGKHISA-N 1 0 278.352 3.147 20 5 CGBDRO CC[C@]1(C)CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001559651870 938231729 /nfs/dbraw/zinc/23/17/29/938231729.db2.gz WIUXPKLCOAHCMM-MRXNPFEDSA-N 1 0 292.379 3.486 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@@H](C3CCCC3)C2)c1[N+](=O)[O-] ZINC001560227873 938248013 /nfs/dbraw/zinc/24/80/13/938248013.db2.gz VLYORWWVUZIPKE-CYBMUJFWSA-N 1 0 293.367 3.293 20 5 CGBDRO Cc1c(C[NH2+]C2([C@@H]3CCCO3)CCC2)cccc1[N+](=O)[O-] ZINC001560227275 938248171 /nfs/dbraw/zinc/24/81/71/938248171.db2.gz KSLYZCFMUFYRBW-HNNXBMFYSA-N 1 0 290.363 3.095 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000217886447 957868526 /nfs/dbraw/zinc/86/85/26/957868526.db2.gz QSNUUEWGBVKWSA-GJZGRUSLSA-N 1 0 292.379 3.196 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2CCC(C3CC3)CC2)c1 ZINC000590008653 346821816 /nfs/dbraw/zinc/82/18/16/346821816.db2.gz OJXOYMLXNDXMBR-UHFFFAOYSA-N 1 0 290.363 3.096 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN(c2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000590079676 346826144 /nfs/dbraw/zinc/82/61/44/346826144.db2.gz FHYCUABRKUTFGS-LLVKDONJSA-N 1 0 297.786 3.215 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000358744207 529409646 /nfs/dbraw/zinc/40/96/46/529409646.db2.gz IMBRNFUZHFFZFS-GFCCVEGCSA-N 1 0 298.408 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c(F)c1 ZINC000591061793 346897385 /nfs/dbraw/zinc/89/73/85/346897385.db2.gz IPSVSMOPVBFBFA-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C1CCOCC1)CCCC2 ZINC000591347895 346916965 /nfs/dbraw/zinc/91/69/65/346916965.db2.gz PPNHGYGKDJKUAL-MRXNPFEDSA-N 1 0 290.363 3.131 20 5 CGBDRO CCOc1cc(C[N@H+](CC)CCSC)ccc1[N+](=O)[O-] ZINC000592201939 346971971 /nfs/dbraw/zinc/97/19/71/346971971.db2.gz JPCNDFPDKNWZTA-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1 ZINC000592374984 346980315 /nfs/dbraw/zinc/98/03/15/346980315.db2.gz OMBGVZLCXQGTTN-OTVXOJSOSA-N 1 0 292.379 3.339 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCS[C@H]1C ZINC000592401594 346985147 /nfs/dbraw/zinc/98/51/47/346985147.db2.gz ZFMOPZRDCWPRFG-COPLHBTASA-N 1 0 280.393 3.448 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000461780142 534959026 /nfs/dbraw/zinc/95/90/26/534959026.db2.gz XCXIFLQUYCDMSU-GFCCVEGCSA-N 1 0 295.358 3.186 20 5 CGBDRO COC(=O)c1ccc([N+](=O)[O-])c(C[NH+](C(C)C)C(C)C)c1 ZINC000593020074 347028712 /nfs/dbraw/zinc/02/87/12/347028712.db2.gz ILLLICSYSWOAMD-UHFFFAOYSA-N 1 0 294.351 3.000 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@H]1CCCOC1 ZINC000116279207 529985183 /nfs/dbraw/zinc/98/51/83/529985183.db2.gz DFDULCIDEYGDHH-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CNc2ccccc2C1 ZINC000593317267 347062090 /nfs/dbraw/zinc/06/20/90/347062090.db2.gz UNHFTZXJSGDQLU-HNNXBMFYSA-N 1 0 297.358 3.030 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000413443136 530055124 /nfs/dbraw/zinc/05/51/24/530055124.db2.gz RGBADKVJJSNVQM-JTQLQIEISA-N 1 0 299.321 3.017 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000038079429 344954732 /nfs/dbraw/zinc/95/47/32/344954732.db2.gz ISFFPFGYKPBKAC-CHWSQXEVSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000051125484 345086775 /nfs/dbraw/zinc/08/67/75/345086775.db2.gz QARFFOVGHKBLGW-CYBMUJFWSA-N 1 0 278.352 3.238 20 5 CGBDRO Cc1csc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000057399228 345178170 /nfs/dbraw/zinc/17/81/70/345178170.db2.gz MYHPKFUYHWBUIZ-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295099982 199344241 /nfs/dbraw/zinc/34/42/41/199344241.db2.gz VXTGEOWUFMYIOV-SWLSCSKDSA-N 1 0 294.395 3.055 20 5 CGBDRO Cc1cc([N+](=O)[O-])cnc1NCCC[NH+](C(C)C)C(C)C ZINC000074773022 345480918 /nfs/dbraw/zinc/48/09/18/345480918.db2.gz XIAPPLWBLMFJHS-UHFFFAOYSA-N 1 0 294.399 3.219 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCCNc1ccc([N+](=O)[O-])nc1 ZINC000076795350 345550314 /nfs/dbraw/zinc/55/03/14/345550314.db2.gz IZTCFZXMXMJSHQ-CYBMUJFWSA-N 1 0 292.383 3.056 20 5 CGBDRO CCC[N@H+](C)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000078562475 345613222 /nfs/dbraw/zinc/61/32/22/345613222.db2.gz UCRJCUYMYPABNS-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000083484017 345726558 /nfs/dbraw/zinc/72/65/58/345726558.db2.gz XBZOXCSJXBFISE-GWCFXTLKSA-N 1 0 266.316 3.402 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1 ZINC000091481491 345816266 /nfs/dbraw/zinc/81/62/66/345816266.db2.gz IHXIDAXIFURMMO-CYBMUJFWSA-N 1 0 283.759 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@H+]([C@@H]1C=CCCC1)CC2 ZINC000088606431 345763256 /nfs/dbraw/zinc/76/32/56/345763256.db2.gz QGAVFTVGIVTUOQ-CQSZACIVSA-N 1 0 258.321 3.062 20 5 CGBDRO Cc1cc([N+](=O)[O-])cnc1NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000092584656 345846860 /nfs/dbraw/zinc/84/68/60/345846860.db2.gz RNEIZIJTGSEHRK-UHFFFAOYSA-N 1 0 292.383 3.019 20 5 CGBDRO Cc1ncsc1CC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000295119558 199355914 /nfs/dbraw/zinc/35/59/14/199355914.db2.gz XDOOMCOISFGBCM-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123153240 346007805 /nfs/dbraw/zinc/00/78/05/346007805.db2.gz JMLGDOKXJNQGBJ-AOOOYVTPSA-N 1 0 275.308 3.109 20 5 CGBDRO CCO[C@H]1CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000155435664 346153153 /nfs/dbraw/zinc/15/31/53/346153153.db2.gz CELQSGZALZKLSL-PXTSUWAFSA-N 1 0 290.363 3.109 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCC(F)(F)C2)cc1 ZINC000312131831 346476210 /nfs/dbraw/zinc/47/62/10/346476210.db2.gz SUDGKARHQXXIMR-LBPRGKRZSA-N 1 0 284.306 3.162 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccccc1[N+](=O)[O-] ZINC000402065311 346593556 /nfs/dbraw/zinc/59/35/56/346593556.db2.gz GYRUYGBSLBFRSP-OLZOCXBDSA-N 1 0 278.352 3.062 20 5 CGBDRO O=[N+]([O-])c1ccsc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594603398 347200911 /nfs/dbraw/zinc/20/09/11/347200911.db2.gz UXGZJYZMVASBDK-QWRGUYRKSA-N 1 0 281.381 3.085 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccccn1 ZINC000594489863 347177037 /nfs/dbraw/zinc/17/70/37/347177037.db2.gz GQHWRQIYXPUKAU-XHDPSFHLSA-N 1 0 283.331 3.328 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000594503137 347180985 /nfs/dbraw/zinc/18/09/85/347180985.db2.gz TYYGWEYUAGLZRZ-WCQYABFASA-N 1 0 280.393 3.011 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cs1 ZINC000594508617 347182211 /nfs/dbraw/zinc/18/22/11/347182211.db2.gz DSUPTZIDDSXXTL-GXTWGEPZSA-N 1 0 296.392 3.094 20 5 CGBDRO CC[C@H]1C[C@@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594930130 347232374 /nfs/dbraw/zinc/23/23/74/347232374.db2.gz SHKFFQQUUHKVKN-ZBFHGGJFSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595291598 347287154 /nfs/dbraw/zinc/28/71/54/347287154.db2.gz KBKZDRZKMPWGRC-JTQLQIEISA-N 1 0 252.289 3.108 20 5 CGBDRO Cc1noc(C[N@@H+](CC(C)C)C2CCCC2)c1[N+](=O)[O-] ZINC000595296884 347288485 /nfs/dbraw/zinc/28/84/85/347288485.db2.gz NIMORZCDJFTBND-UHFFFAOYSA-N 1 0 281.356 3.292 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000595012206 347256519 /nfs/dbraw/zinc/25/65/19/347256519.db2.gz LFTPOWORYYEOBB-MNOVXSKESA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCS1 ZINC000595011758 347256583 /nfs/dbraw/zinc/25/65/83/347256583.db2.gz DJKBJKPSNAOEDU-CMPLNLGQSA-N 1 0 296.392 3.150 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595016304 347258074 /nfs/dbraw/zinc/25/80/74/347258074.db2.gz WZOLJGZZBMGWST-VIFPVBQESA-N 1 0 272.295 3.364 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595050556 347269541 /nfs/dbraw/zinc/26/95/41/347269541.db2.gz RXAQWQDQNMRPHC-SWLSCSKDSA-N 1 0 290.363 3.129 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000595052622 347270278 /nfs/dbraw/zinc/27/02/78/347270278.db2.gz YYFVCZCYFJOLLP-NRUUGDAUSA-N 1 0 296.392 3.006 20 5 CGBDRO Cc1noc(CN[C@@H](C)c2cc(C)cc(C)c2)c1[N+](=O)[O-] ZINC000595415433 347300263 /nfs/dbraw/zinc/30/02/63/347300263.db2.gz RJFMUVISVMYBEU-NSHDSACASA-N 1 0 289.335 3.359 20 5 CGBDRO C[C@@]1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1(F)F ZINC000595081328 347279980 /nfs/dbraw/zinc/27/99/80/347279980.db2.gz RCOULEDODUSELA-YPMHNXCESA-N 1 0 282.290 3.217 20 5 CGBDRO CC1(C)[C@@H](C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1(F)F ZINC000595095793 347282547 /nfs/dbraw/zinc/28/25/47/347282547.db2.gz YCMXUIFBDSURSF-DGCLKSJQSA-N 1 0 296.317 3.463 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@]1(C)CC1(C)C ZINC000595099910 347283769 /nfs/dbraw/zinc/28/37/69/347283769.db2.gz GNBPIDXFAJXQHS-ZUZCIYMTSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1OC ZINC000595599070 347323448 /nfs/dbraw/zinc/32/34/48/347323448.db2.gz KPTDQBGCQACYFO-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595757136 347351727 /nfs/dbraw/zinc/35/17/27/347351727.db2.gz ZYJMPAOLTLHCHH-ZDUSSCGKSA-N 1 0 296.342 3.045 20 5 CGBDRO C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC(C)(C)C1 ZINC000595541545 347317556 /nfs/dbraw/zinc/31/75/56/347317556.db2.gz UHJMWTRZQSTXOE-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@H](C)[N@H+](CC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000595592655 347322793 /nfs/dbraw/zinc/32/27/93/347322793.db2.gz HVZZSDLZKPWCMH-JTQLQIEISA-N 1 0 254.305 3.354 20 5 CGBDRO CC(C)[N@@H+]1CCCC[C@@H]1COc1c(F)cccc1[N+](=O)[O-] ZINC000596269352 347408151 /nfs/dbraw/zinc/40/81/51/347408151.db2.gz RSUBQSGJJMJDKX-GFCCVEGCSA-N 1 0 296.342 3.376 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@@H](CNc2ccc([N+](=O)[O-])cc2)C1 ZINC000596306792 347413811 /nfs/dbraw/zinc/41/38/11/347413811.db2.gz ICYZUCDVVIZERS-LBPRGKRZSA-N 1 0 277.368 3.127 20 5 CGBDRO COc1cc(C[NH2+]C2(CC(C)C)CC2)c([N+](=O)[O-])cc1F ZINC000595833017 347362525 /nfs/dbraw/zinc/36/25/25/347362525.db2.gz ZDGYTHDUGVYPHB-UHFFFAOYSA-N 1 0 296.342 3.411 20 5 CGBDRO Cc1cc(N2CC[NH+](C3CCCC3)CC2)c([N+](=O)[O-])s1 ZINC000596073494 347379367 /nfs/dbraw/zinc/37/93/67/347379367.db2.gz RJWFKXXBGYFOTJ-UHFFFAOYSA-N 1 0 295.408 3.029 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596091392 347382497 /nfs/dbraw/zinc/38/24/97/347382497.db2.gz JHMMVNIAXPVJAI-JTQLQIEISA-N 1 0 295.770 3.205 20 5 CGBDRO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157013 347392006 /nfs/dbraw/zinc/39/20/06/347392006.db2.gz WKYFBRVAPQJIJC-WPRPVWTQSA-N 1 0 281.381 3.002 20 5 CGBDRO CCC[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OCC ZINC000598989628 347704135 /nfs/dbraw/zinc/70/41/35/347704135.db2.gz OOTAHHAQUAGFLB-VSGCLNPGSA-N 1 0 292.379 3.403 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598998812 347705498 /nfs/dbraw/zinc/70/54/98/347705498.db2.gz IATPGBLCKAOJGM-LFNDISMMSA-N 1 0 298.770 3.150 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OCC ZINC000599062306 347712604 /nfs/dbraw/zinc/71/26/04/347712604.db2.gz URFJJEYROQYYLO-IUODEOHRSA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000599086168 347715659 /nfs/dbraw/zinc/71/56/59/347715659.db2.gz ZAWDLOFVRTVOJI-GHJWDPDVSA-N 1 0 290.363 3.121 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)c(F)c1 ZINC000599553090 347753715 /nfs/dbraw/zinc/75/37/15/347753715.db2.gz MRLVOVRVSCEXSX-OLZOCXBDSA-N 1 0 296.367 3.204 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000599624985 347759097 /nfs/dbraw/zinc/75/90/97/347759097.db2.gz KPYKBPNKCLGETO-QOBXEIRBSA-N 1 0 298.770 3.150 20 5 CGBDRO CCC[C@H](N[C@@H]1CC[NH2+][C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000600712740 347830296 /nfs/dbraw/zinc/83/02/96/347830296.db2.gz XQYRTRTWCSMRGI-HRCADAONSA-N 1 0 291.395 3.166 20 5 CGBDRO Cc1cc2c(c(-c3ccc([N+](=O)[O-])cc3)c1)C[NH2+]CC2 ZINC000600846531 347840716 /nfs/dbraw/zinc/84/07/16/347840716.db2.gz ZNMCSZBTYMUJDG-UHFFFAOYSA-N 1 0 268.316 3.216 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)cs1 ZINC000601155801 347876280 /nfs/dbraw/zinc/87/62/80/347876280.db2.gz GLQLPJJHLFPHOF-GXTWGEPZSA-N 1 0 296.392 3.094 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000601962664 347929911 /nfs/dbraw/zinc/92/99/11/347929911.db2.gz HQZBXOOQCGFRDP-BXUZGUMPSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602505567 347972279 /nfs/dbraw/zinc/97/22/79/347972279.db2.gz FGNUVZPOCYBPPT-UHFFFAOYSA-N 1 0 262.231 3.112 20 5 CGBDRO CC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602565499 347983381 /nfs/dbraw/zinc/98/33/81/347983381.db2.gz QVOHGRVSQBJENL-UHFFFAOYSA-N 1 0 275.308 3.016 20 5 CGBDRO CC1(C)CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602575442 347986748 /nfs/dbraw/zinc/98/67/48/347986748.db2.gz HYLYNSDKZSELEL-JTQLQIEISA-N 1 0 289.335 3.404 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@H]3CC34CCCC4)nc2c1 ZINC000602637769 347998460 /nfs/dbraw/zinc/99/84/60/347998460.db2.gz MSTMXIMMVNLBQD-CYBMUJFWSA-N 1 0 287.319 3.158 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]1CCC(C)C ZINC000602786085 348028456 /nfs/dbraw/zinc/02/84/56/348028456.db2.gz VTFVCIARUKJMFT-AWEZNQCLSA-N 1 0 294.399 3.000 20 5 CGBDRO CC(F)(F)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602670314 348004879 /nfs/dbraw/zinc/00/48/79/348004879.db2.gz DMGLYJLQEUWLRX-UHFFFAOYSA-N 1 0 299.277 3.261 20 5 CGBDRO CSC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000602725125 348017786 /nfs/dbraw/zinc/01/77/86/348017786.db2.gz JWOTVZUTYVWZGY-UHFFFAOYSA-N 1 0 280.393 3.231 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@]23C[C@@H]2CCCC3)cc1 ZINC000602730407 348020133 /nfs/dbraw/zinc/02/01/33/348020133.db2.gz BYQLERQHLDXLRN-ZFWWWQNUSA-N 1 0 260.337 3.060 20 5 CGBDRO CN(Cc1ccns1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000602880561 348040022 /nfs/dbraw/zinc/04/00/22/348040022.db2.gz AVBXREKDMKIKSD-UHFFFAOYSA-N 1 0 297.767 3.337 20 5 CGBDRO CSC1CC[NH+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000602920626 348044211 /nfs/dbraw/zinc/04/42/11/348044211.db2.gz XHNYRULVXQBOKZ-NSHDSACASA-N 1 0 280.393 3.483 20 5 CGBDRO Cc1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000603857222 348099457 /nfs/dbraw/zinc/09/94/57/348099457.db2.gz DZXPTPJUWIUMKC-TZMCWYRMSA-N 1 0 291.395 3.436 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccccc2[N+](=O)[O-])C1 ZINC000603859695 348099731 /nfs/dbraw/zinc/09/97/31/348099731.db2.gz SRZVZQJTSXBUFQ-OKILXGFUSA-N 1 0 291.395 3.375 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc([N+](=O)[O-])s1 ZINC000604408750 348119675 /nfs/dbraw/zinc/11/96/75/348119675.db2.gz HGAVELMVLYPMNU-NSHDSACASA-N 1 0 283.397 3.333 20 5 CGBDRO CSc1ccc(C[NH2+]CCc2ccccc2[N+](=O)[O-])o1 ZINC000603426438 348081948 /nfs/dbraw/zinc/08/19/48/348081948.db2.gz OHKWLWUZGDXIAR-UHFFFAOYSA-N 1 0 292.360 3.242 20 5 CGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000608837181 348332488 /nfs/dbraw/zinc/33/24/88/348332488.db2.gz XAIYZBRNVBTVSW-WOLRVDTOSA-N 1 0 283.331 3.354 20 5 CGBDRO CC1(C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000608886201 348333723 /nfs/dbraw/zinc/33/37/23/348333723.db2.gz JUUXLQWPDTZIIG-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2C3CCCC2CCC3)cc1 ZINC000610369933 348379813 /nfs/dbraw/zinc/37/98/13/348379813.db2.gz BLKIIBPKPNYEIE-UHFFFAOYSA-N 1 0 290.363 3.381 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000609839983 348354705 /nfs/dbraw/zinc/35/47/05/348354705.db2.gz ULWMJBXVKHITOD-LBPRGKRZSA-N 1 0 281.331 3.020 20 5 CGBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000610001815 348360308 /nfs/dbraw/zinc/36/03/08/348360308.db2.gz BUBPKEVNKZIODU-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000610582180 348391050 /nfs/dbraw/zinc/39/10/50/348391050.db2.gz OAZISSUGSVRPEW-UHFFFAOYSA-N 1 0 275.308 3.110 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000610715987 348398994 /nfs/dbraw/zinc/39/89/94/348398994.db2.gz WRKLHCIHJFPRKD-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000611258908 348432200 /nfs/dbraw/zinc/43/22/00/348432200.db2.gz DLPICRWKYMKZAX-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO CCC(CC)[C@@H](CNc1sccc1[N+](=O)[O-])[NH+](C)C ZINC000611411322 348448268 /nfs/dbraw/zinc/44/82/68/348448268.db2.gz DDWAHMUHMMABPI-GFCCVEGCSA-N 1 0 285.413 3.435 20 5 CGBDRO C[C@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000611411748 348448528 /nfs/dbraw/zinc/44/85/28/348448528.db2.gz YQYDBYUESVIMLL-GHMZBOCLSA-N 1 0 283.397 3.331 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1sccc1[N+](=O)[O-] ZINC000611413107 348448762 /nfs/dbraw/zinc/44/87/62/348448762.db2.gz TUTZKAWMOOYKAC-QWRGUYRKSA-N 1 0 283.397 3.331 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351978353 219272641 /nfs/dbraw/zinc/27/26/41/219272641.db2.gz RMQCVHBTGGZYNW-CYBMUJFWSA-N 1 0 278.352 3.368 20 5 CGBDRO Cc1cc(OCc2c(F)cccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000614068206 348648886 /nfs/dbraw/zinc/64/88/86/348648886.db2.gz WARDJPBSFLBLND-UHFFFAOYSA-N 1 0 276.267 3.325 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC=CCC1 ZINC000615837604 348768027 /nfs/dbraw/zinc/76/80/27/348768027.db2.gz IOPOHRDBYDVGQO-JLHYYAGUSA-N 1 0 258.321 3.260 20 5 CGBDRO CO[C@H](C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000339530717 215233498 /nfs/dbraw/zinc/23/34/98/215233498.db2.gz QQIQRJOZKMWBFP-IYCSXQJISA-N 1 0 290.363 3.013 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCSC1 ZINC000619198183 349220563 /nfs/dbraw/zinc/22/05/63/349220563.db2.gz FLVLCRWOPWBICE-VDBIKXPHSA-N 1 0 292.404 3.341 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271406912 191119471 /nfs/dbraw/zinc/11/94/71/191119471.db2.gz AANUAWZQTBOSMA-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CC2(C)CCOCC2)cccc1[N+](=O)[O-] ZINC000271498158 191177499 /nfs/dbraw/zinc/17/74/99/191177499.db2.gz MUTZCUVQGLLRDE-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CC(C)([NH2+]CCc1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000292116326 198170154 /nfs/dbraw/zinc/17/01/54/198170154.db2.gz JOGMOKODOCRMIG-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271568781 191219835 /nfs/dbraw/zinc/21/98/35/191219835.db2.gz YFKHWWWRZQZHEK-JSGCOSHPSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000155819129 188229757 /nfs/dbraw/zinc/22/97/57/188229757.db2.gz TZSGBTQSJNZVBT-NWDGAFQWSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1ccccc1 ZINC000409636097 234969821 /nfs/dbraw/zinc/96/98/21/234969821.db2.gz AVQRBMIHHGQXHR-POHAHGRESA-N 1 0 282.343 3.440 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414222773 235368184 /nfs/dbraw/zinc/36/81/84/235368184.db2.gz FQOVRIRYSGTJNL-MBNYWOFBSA-N 1 0 294.420 3.400 20 5 CGBDRO C[C@H](NC[C@H]1[NH2+]CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423384025 236057741 /nfs/dbraw/zinc/05/77/41/236057741.db2.gz JRGBJPGBWSHZMK-SWLSCSKDSA-N 1 0 291.395 3.024 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)CCCCO ZINC000294927455 199254822 /nfs/dbraw/zinc/25/48/22/199254822.db2.gz BJSSYLNPOQFIMW-UONOGXRCSA-N 1 0 294.395 3.057 20 5 CGBDRO COC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000297277396 200133016 /nfs/dbraw/zinc/13/30/16/200133016.db2.gz LBBTZUXJJOVMPC-GFCCVEGCSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000178435241 189116365 /nfs/dbraw/zinc/11/63/65/189116365.db2.gz FTHORJGJLLAGNX-FZMZJTMJSA-N 1 0 280.368 3.043 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178651517 189134806 /nfs/dbraw/zinc/13/48/06/189134806.db2.gz ZCGXEUPNDXLXBC-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2-c2ccccc2)cc1 ZINC000438935017 238218154 /nfs/dbraw/zinc/21/81/54/238218154.db2.gz WZWDLLGYNSRRCN-UHFFFAOYSA-N 1 0 294.314 3.393 20 5 CGBDRO Cc1ccncc1C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1 ZINC000342230309 216270646 /nfs/dbraw/zinc/27/06/46/216270646.db2.gz MPTJXIZWBMMGBR-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO CC[C@@H](CNc1cc(C)ccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301577934 201077769 /nfs/dbraw/zinc/07/77/69/201077769.db2.gz RLLMADKYZXANKK-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000182561916 189327528 /nfs/dbraw/zinc/32/75/28/189327528.db2.gz SNNIDTGZSDEIFR-GWCFXTLKSA-N 1 0 292.360 3.041 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000301612785 201095263 /nfs/dbraw/zinc/09/52/63/201095263.db2.gz SQYFUMNJXXMQJF-AWEZNQCLSA-N 1 0 291.395 3.293 20 5 CGBDRO COc1cc(C[NH+]2CCCCCC2)c([N+](=O)[O-])cc1F ZINC000184237262 189380602 /nfs/dbraw/zinc/38/06/02/189380602.db2.gz KKQSHYUNMIBROC-UHFFFAOYSA-N 1 0 282.315 3.119 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1sccc1[N+](=O)[O-] ZINC000301980861 201285977 /nfs/dbraw/zinc/28/59/77/201285977.db2.gz GTWCTRMPTXBYDD-LLVKDONJSA-N 1 0 283.397 3.333 20 5 CGBDRO CC[NH+]1CCC(CCNc2sccc2[N+](=O)[O-])CC1 ZINC000301981497 201286994 /nfs/dbraw/zinc/28/69/94/201286994.db2.gz BCTGGIMHMPOJBU-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1 ZINC000301998008 201292633 /nfs/dbraw/zinc/29/26/33/201292633.db2.gz QLOJARRBYNVWCR-IRXDYDNUSA-N 1 0 297.358 3.452 20 5 CGBDRO CSCCCC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449154728 239208150 /nfs/dbraw/zinc/20/81/50/239208150.db2.gz JJFBJTNRWOUYBT-GFCCVEGCSA-N 1 0 282.409 3.259 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC(C)(C)C ZINC000449096438 239175656 /nfs/dbraw/zinc/17/56/56/239175656.db2.gz HQAZHMDHUZPNHT-LLVKDONJSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC1(C)C ZINC000449322355 239314118 /nfs/dbraw/zinc/31/41/18/239314118.db2.gz XDQRXIQZBDGBMD-BXUZGUMPSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451902173 240379728 /nfs/dbraw/zinc/37/97/28/240379728.db2.gz NWPMWGVOBWNEKF-CJNGLKHVSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCC1CCOCC1 ZINC000120708882 370793644 /nfs/dbraw/zinc/79/36/44/370793644.db2.gz ZDSQUBBBONGOMJ-ZDUSSCGKSA-N 1 0 292.379 3.404 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1ccccc1[N+](=O)[O-] ZINC000120951356 370816277 /nfs/dbraw/zinc/81/62/77/370816277.db2.gz DYFZHSZERVLHBG-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000453428231 240937026 /nfs/dbraw/zinc/93/70/26/240937026.db2.gz PQBGOULDWNCFMV-CHWSQXEVSA-N 1 0 292.379 3.451 20 5 CGBDRO COC1CCC([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000459680692 242178783 /nfs/dbraw/zinc/17/87/83/242178783.db2.gz PYZKAQZXZMTMGN-XQRVVYSFSA-N 1 0 290.363 3.155 20 5 CGBDRO CO[C@H]1CCCC[C@H]1[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000123188275 370909903 /nfs/dbraw/zinc/90/99/03/370909903.db2.gz OQFWCZYPLVMOMK-GLQYFDAESA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000020035373 368795112 /nfs/dbraw/zinc/79/51/12/368795112.db2.gz OAHBVIRILQTCKV-LBPRGKRZSA-N 1 0 256.305 3.446 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037255089 369080320 /nfs/dbraw/zinc/08/03/20/369080320.db2.gz ZYFLXJGVGBYRAL-WCQYABFASA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1ccc(NC2CC[NH+](C(C)C)CC2)c([N+](=O)[O-])c1 ZINC000037059695 369056713 /nfs/dbraw/zinc/05/67/13/369056713.db2.gz PNRQGDUFDYWKHU-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO C[C@H]([NH2+]CCN1CCCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000040767715 369161935 /nfs/dbraw/zinc/16/19/35/369161935.db2.gz XBGJVGQWWIAVAP-AWEZNQCLSA-N 1 0 291.395 3.121 20 5 CGBDRO Cn1cnc([N+](=O)[O-])c1C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000331052678 203499469 /nfs/dbraw/zinc/49/94/69/203499469.db2.gz JHQSVARXRQEGPU-NEPJUHHUSA-N 1 0 294.399 3.023 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000068913576 369751310 /nfs/dbraw/zinc/75/13/10/369751310.db2.gz KKGKAAKEBZGSOQ-SECBINFHSA-N 1 0 283.759 3.143 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Nc3ccccc3)C2)c1 ZINC000076756264 369943535 /nfs/dbraw/zinc/94/35/35/369943535.db2.gz UZWBMQKIZAKNCN-INIZCTEOSA-N 1 0 297.358 3.281 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)c1 ZINC000076756262 369943617 /nfs/dbraw/zinc/94/36/17/369943617.db2.gz UZWBMQKIZAKNCN-MRXNPFEDSA-N 1 0 297.358 3.281 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000509019970 244889568 /nfs/dbraw/zinc/88/95/68/244889568.db2.gz AUZSWADFTYTKGU-IUCAKERBSA-N 1 0 272.295 3.397 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093760949 370155222 /nfs/dbraw/zinc/15/52/22/370155222.db2.gz JBAHEDHMAOAKCK-ZDUSSCGKSA-N 1 0 280.393 3.231 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CCC2)cc1[N+](=O)[O-] ZINC000097929004 370257523 /nfs/dbraw/zinc/25/75/23/370257523.db2.gz IEVBXQNJCKDDMC-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO CSC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000130695969 371054279 /nfs/dbraw/zinc/05/42/79/371054279.db2.gz HHTYVAAZQDMNMD-QMMMGPOBSA-N 1 0 274.773 3.089 20 5 CGBDRO CC[C@@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331750371 204122196 /nfs/dbraw/zinc/12/21/96/204122196.db2.gz GBPPBSBXWJBKAB-ZYHUDNBSSA-N 1 0 288.351 3.139 20 5 CGBDRO CC1CC([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000135564721 371435208 /nfs/dbraw/zinc/43/52/08/371435208.db2.gz NYMPVQGVRXSGTJ-UHFFFAOYSA-N 1 0 254.717 3.136 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC000421886032 371698044 /nfs/dbraw/zinc/69/80/44/371698044.db2.gz RTWZWRUTHIFDOJ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCC[C@@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000159141304 372109139 /nfs/dbraw/zinc/10/91/39/372109139.db2.gz RHNDIOGXIOQIRI-RCBQFDQVSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]C1CC1 ZINC000290910663 372073528 /nfs/dbraw/zinc/07/35/28/372073528.db2.gz PFHSFCAJZWCSIU-UHFFFAOYSA-N 1 0 261.108 3.154 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)cc1[N+](=O)[O-] ZINC000428452032 372204544 /nfs/dbraw/zinc/20/45/44/372204544.db2.gz IRQVDMVVROQQED-KGLIPLIRSA-N 1 0 260.337 3.278 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000160556800 372257769 /nfs/dbraw/zinc/25/77/69/372257769.db2.gz HCWRPJDEZPADIG-LLVKDONJSA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)cn1 ZINC000161586126 372338720 /nfs/dbraw/zinc/33/87/20/372338720.db2.gz NXAVGFOJTHFAAO-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCCC(C)(C)CO)cccc1[N+](=O)[O-] ZINC000163223168 372455910 /nfs/dbraw/zinc/45/59/10/372455910.db2.gz KRROGMBZTCYALJ-CYBMUJFWSA-N 1 0 294.395 3.353 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163828190 372495082 /nfs/dbraw/zinc/49/50/82/372495082.db2.gz OTSJDUOVJCIMIS-HEHGZKQESA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000293896376 372516207 /nfs/dbraw/zinc/51/62/07/372516207.db2.gz VOSHELWIFHSFPY-KZVDOYCCSA-N 1 0 278.352 3.201 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CCSCC2)c(Cl)c1 ZINC000168127310 372607446 /nfs/dbraw/zinc/60/74/46/372607446.db2.gz KPXAJTDXIUVCTG-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000296468158 373144013 /nfs/dbraw/zinc/14/40/13/373144013.db2.gz NPVVRSVSPAWTCS-BXUZGUMPSA-N 1 0 280.368 3.185 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296558614 373176429 /nfs/dbraw/zinc/17/64/29/373176429.db2.gz SBUWXWSHJIXJKA-DOMZBBRYSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000174364923 373301155 /nfs/dbraw/zinc/30/11/55/373301155.db2.gz QPPOPXVEDSFSQW-SMDDNHRTSA-N 1 0 280.393 3.483 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C(C)C)C1 ZINC000446731629 373351777 /nfs/dbraw/zinc/35/17/77/373351777.db2.gz JXZAJLNOZXLYCT-GFCCVEGCSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000446834508 373369052 /nfs/dbraw/zinc/36/90/52/373369052.db2.gz KMVVFWSCAFEOKT-UHFFFAOYSA-N 1 0 260.337 3.422 20 5 CGBDRO CCC(C)(C)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000447596982 373461429 /nfs/dbraw/zinc/46/14/29/373461429.db2.gz RJGRRNZLYSTUOM-STQMWFEESA-N 1 0 294.399 3.301 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000301096369 373658561 /nfs/dbraw/zinc/65/85/61/373658561.db2.gz KDJRXBVDUQRMRF-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CCCCO ZINC000449432536 373712642 /nfs/dbraw/zinc/71/26/42/373712642.db2.gz HZWVGJDMYZMPNJ-JWAFFJSPSA-N 1 0 292.379 3.139 20 5 CGBDRO CC/C=C\C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449462477 373746876 /nfs/dbraw/zinc/74/68/76/373746876.db2.gz VEPUPNZQDRVICR-ARJAWSKDSA-N 1 0 286.278 3.252 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000449743422 373873321 /nfs/dbraw/zinc/87/33/21/373873321.db2.gz XREJAFPCJMNTEH-WFASDCNBSA-N 1 0 290.363 3.129 20 5 CGBDRO O=[N+]([O-])c1cccc([C@H]([NH2+][C@@H]2CCOC2)c2ccccc2)c1 ZINC000181003068 374068279 /nfs/dbraw/zinc/06/82/79/374068279.db2.gz WPCKFSPYWWOCEN-NVXWUHKLSA-N 1 0 298.342 3.063 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccnc1 ZINC000182025892 374204535 /nfs/dbraw/zinc/20/45/35/374204535.db2.gz XJABRTWEINIKIJ-GFCCVEGCSA-N 1 0 271.320 3.183 20 5 CGBDRO CC(C)SCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310653811 374219571 /nfs/dbraw/zinc/21/95/71/374219571.db2.gz YXPDDUBOKNYYIE-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO Cc1cc(CNc2cc(C)[nH+]c3ccc([N+](=O)[O-])cc23)no1 ZINC000317303244 374337549 /nfs/dbraw/zinc/33/75/49/374337549.db2.gz UBXVMLPMPDFJRV-UHFFFAOYSA-N 1 0 298.302 3.360 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453297141 374398972 /nfs/dbraw/zinc/39/89/72/374398972.db2.gz HPTIHTNALFXQRL-HZPDHXFCSA-N 1 0 292.379 3.377 20 5 CGBDRO CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000185239505 374618148 /nfs/dbraw/zinc/61/81/48/374618148.db2.gz AMQQIZQUVIEQFR-CABCVRRESA-N 1 0 292.379 3.277 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCC=CO1)c1cccc([N+](=O)[O-])c1 ZINC000188572523 375235591 /nfs/dbraw/zinc/23/55/91/375235591.db2.gz QNGKSCYJMDVYTL-CABCVRRESA-N 1 0 276.336 3.328 20 5 CGBDRO CC[C@@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189228328 375344533 /nfs/dbraw/zinc/34/45/33/375344533.db2.gz CKSSKMNGRXCBSM-LLVKDONJSA-N 1 0 292.257 3.172 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[C@H](F)C1 ZINC000520428121 375854663 /nfs/dbraw/zinc/85/46/63/375854663.db2.gz LEYXXPDDVLDQPD-KWBADKCTSA-N 1 0 264.300 3.062 20 5 CGBDRO C[C@@H]([NH2+]CCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000336843752 376004887 /nfs/dbraw/zinc/00/48/87/376004887.db2.gz XRLRPOPBSHOGBZ-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000536682449 376121825 /nfs/dbraw/zinc/12/18/25/376121825.db2.gz PLABYGUNDSFHKX-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO CC(C)COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000337251734 376165494 /nfs/dbraw/zinc/16/54/94/376165494.db2.gz ODKOFHBEAKKNAH-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000538390771 376237224 /nfs/dbraw/zinc/23/72/24/376237224.db2.gz WKDWMJVBBXEYLM-AWEZNQCLSA-N 1 0 280.368 3.388 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000538956020 376280759 /nfs/dbraw/zinc/28/07/59/376280759.db2.gz HGRWLWMWSYTXGY-JSGCOSHPSA-N 1 0 262.353 3.400 20 5 CGBDRO CC1=CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000538727417 376262546 /nfs/dbraw/zinc/26/25/46/376262546.db2.gz PKLYSGINLWTHPB-XQRVVYSFSA-N 1 0 258.321 3.260 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)c1 ZINC000539055078 376288247 /nfs/dbraw/zinc/28/82/47/376288247.db2.gz WAAOFDMSUXJZGY-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889580 376417521 /nfs/dbraw/zinc/41/75/21/376417521.db2.gz ILXIVMYLEHFHLC-SECBINFHSA-N 1 0 287.310 3.015 20 5 CGBDRO CCC[C@H](C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000540506945 376378353 /nfs/dbraw/zinc/37/83/53/376378353.db2.gz DAXWAAXKKJSGCK-LBPRGKRZSA-N 1 0 250.342 3.463 20 5 CGBDRO CC(C)(C)[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000541390935 376445421 /nfs/dbraw/zinc/44/54/21/376445421.db2.gz WPIRZVNXUJHCBQ-CYBMUJFWSA-N 1 0 262.353 3.463 20 5 CGBDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230413342 376517085 /nfs/dbraw/zinc/51/70/85/376517085.db2.gz WYERAAXUHXHEBZ-NXEZZACHSA-N 1 0 254.355 3.182 20 5 CGBDRO CC(C)[N@H+](C)CCCNCc1ccc([N+](=O)[O-])cc1Cl ZINC000230141369 376486250 /nfs/dbraw/zinc/48/62/50/376486250.db2.gz CIHWVODNPHBAHY-UHFFFAOYSA-N 1 0 299.802 3.068 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCc1ccco1 ZINC000338713888 376495918 /nfs/dbraw/zinc/49/59/18/376495918.db2.gz PTVRFDJVLUMZRX-UTCJRWHESA-N 1 0 272.304 3.033 20 5 CGBDRO CCC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000232909517 376592946 /nfs/dbraw/zinc/59/29/46/376592946.db2.gz TWCVJXJVGPWBMP-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)c(N[C@@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000236044145 376657993 /nfs/dbraw/zinc/65/79/93/376657993.db2.gz QISOYNPAPQLSJD-SSDOTTSWSA-N 1 0 290.150 3.066 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC(C)(C)C1 ZINC000544118048 376704616 /nfs/dbraw/zinc/70/46/16/376704616.db2.gz UGFKGLOBNYEZQZ-LBPRGKRZSA-N 1 0 262.353 3.463 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC=CCC1 ZINC000544118084 376704838 /nfs/dbraw/zinc/70/48/38/376704838.db2.gz URNNEHFSSBSMBK-OAHLLOKOSA-N 1 0 274.364 3.425 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](CC3CC3)C2)cc1[N+](=O)[O-] ZINC000339675596 376803172 /nfs/dbraw/zinc/80/31/72/376803172.db2.gz DWDKZPCYXGOZOL-CQSZACIVSA-N 1 0 290.363 3.225 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H](C)c2cn[nH]c2)cc1[N+](=O)[O-] ZINC000339793884 376849747 /nfs/dbraw/zinc/84/97/47/376849747.db2.gz BYIDHHIKQMYNNC-LLVKDONJSA-N 1 0 288.351 3.292 20 5 CGBDRO CC(C)SCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000558723917 377040040 /nfs/dbraw/zinc/04/00/40/377040040.db2.gz HUMIHQGCABJRJG-UHFFFAOYSA-N 1 0 280.393 3.095 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000247051605 377147982 /nfs/dbraw/zinc/14/79/82/377147982.db2.gz OXDJPPPYSQBTPX-CZUORRHYSA-N 1 0 293.411 3.366 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1Cc2ccccc2C1 ZINC000563418474 377459969 /nfs/dbraw/zinc/45/99/69/377459969.db2.gz USRUBJVMFSQCTK-KRWDZBQOSA-N 1 0 294.354 3.339 20 5 CGBDRO C[C@H]([NH2+]CCOCC1CCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000313248748 249089485 /nfs/dbraw/zinc/08/94/85/249089485.db2.gz GRFLFWHOMHRCSX-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO COC1CCC([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000265226422 190167179 /nfs/dbraw/zinc/16/71/79/190167179.db2.gz PPFYLEJCXXITAR-UHFFFAOYSA-N 1 0 292.379 3.027 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000516551544 249236684 /nfs/dbraw/zinc/23/66/84/249236684.db2.gz YLJOPGBGIBQJIW-HNNXBMFYSA-N 1 0 274.364 3.425 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000519001739 249291070 /nfs/dbraw/zinc/29/10/70/249291070.db2.gz RAHHKMFBFIDKFT-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1C[C@H](N[C@@H]2CCc3c2cccc3[N+](=O)[O-])c2nccn21 ZINC000574339517 377649927 /nfs/dbraw/zinc/64/99/27/377649927.db2.gz SGWPLWSDWSSXQX-HONMWMINSA-N 1 0 298.346 3.074 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342609579 377690159 /nfs/dbraw/zinc/69/01/59/377690159.db2.gz VBNRUJXIAIXJQJ-HIFRSBDPSA-N 1 0 292.379 3.465 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711374 377749545 /nfs/dbraw/zinc/74/95/45/377749545.db2.gz AFQHTXPPEHPSMW-KBPBESRZSA-N 1 0 292.379 3.404 20 5 CGBDRO C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000262383738 377897217 /nfs/dbraw/zinc/89/72/17/377897217.db2.gz YZYIBYPLADSBQY-GOPGUHFVSA-N 1 0 297.358 3.390 20 5 CGBDRO Cc1occc1C[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000578045751 378033153 /nfs/dbraw/zinc/03/31/53/378033153.db2.gz HHDFHXLDTFUSKY-UHFFFAOYSA-N 1 0 299.330 3.310 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000268543131 378072905 /nfs/dbraw/zinc/07/29/05/378072905.db2.gz ZUETXIIBWOUHOC-ADSMDIBLSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1cncc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000343836179 378108593 /nfs/dbraw/zinc/10/85/93/378108593.db2.gz GBODSPPADYOSTG-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCS1 ZINC000579611491 378177159 /nfs/dbraw/zinc/17/71/59/378177159.db2.gz MKHISMDVFJESHQ-DZGCQCFKSA-N 1 0 292.404 3.457 20 5 CGBDRO Cc1c(OCc2ccc3c(c2)C[NH2+]CC3)cccc1[N+](=O)[O-] ZINC000580201170 378231918 /nfs/dbraw/zinc/23/19/18/378231918.db2.gz APUFJTKVHXVWHO-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271054724 378442218 /nfs/dbraw/zinc/44/22/18/378442218.db2.gz CMKDOIVPSHKPFY-NSHDSACASA-N 1 0 296.367 3.232 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000346575495 378630214 /nfs/dbraw/zinc/63/02/14/378630214.db2.gz PDVREBIJJPCVJQ-IINYFYTJSA-N 1 0 278.352 3.443 20 5 CGBDRO CC[C@@H]([NH2+]CCC(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000346528050 378605217 /nfs/dbraw/zinc/60/52/17/378605217.db2.gz JBCFNDJMUOEBIP-CQSZACIVSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)CCCCO)c1cccc([N+](=O)[O-])c1 ZINC000272471047 378645271 /nfs/dbraw/zinc/64/52/71/378645271.db2.gz RTEZCDKKFBYJFH-IUODEOHRSA-N 1 0 280.368 3.187 20 5 CGBDRO C[C@@H]([NH2+]CCCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000274177618 378787549 /nfs/dbraw/zinc/78/75/49/378787549.db2.gz DJQGPYMKLJTDNO-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO CC(C)OC1CC([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000274531237 378847405 /nfs/dbraw/zinc/84/74/05/378847405.db2.gz RBOXCLPFOGCJID-PNESKVBLSA-N 1 0 278.352 3.201 20 5 CGBDRO C[N@H+](CCCC1CCOCC1)Cc1ccccc1[N+](=O)[O-] ZINC000274631907 378866677 /nfs/dbraw/zinc/86/66/77/378866677.db2.gz IEJAXZBXIWASTK-UHFFFAOYSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278692095 194106308 /nfs/dbraw/zinc/10/63/08/194106308.db2.gz MWFVOUOKFFRBTP-QWRGUYRKSA-N 1 0 288.351 3.139 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000278821625 194170142 /nfs/dbraw/zinc/17/01/42/194170142.db2.gz ZMLQHUTXZNCZAG-SNVBAGLBSA-N 1 0 288.351 3.139 20 5 CGBDRO CSC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000347596891 218285140 /nfs/dbraw/zinc/28/51/40/218285140.db2.gz VTRRUXZIRZXRNI-UHFFFAOYSA-N 1 0 292.404 3.455 20 5 CGBDRO CCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCOCC1 ZINC000266606602 190270582 /nfs/dbraw/zinc/27/05/82/190270582.db2.gz GPONEJHUXPGAOH-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO CC[N@H+](CCOC)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349861915 379428810 /nfs/dbraw/zinc/42/88/10/379428810.db2.gz RVENHMKKALMMQD-UHFFFAOYSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279872736 379540595 /nfs/dbraw/zinc/54/05/95/379540595.db2.gz CBXLZXHMAZHBIM-CZUORRHYSA-N 1 0 292.379 3.201 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000279872741 379540794 /nfs/dbraw/zinc/54/07/94/379540794.db2.gz CBXLZXHMAZHBIM-XJKSGUPXSA-N 1 0 292.379 3.201 20 5 CGBDRO CC[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CCCO1 ZINC000281447209 379833742 /nfs/dbraw/zinc/83/37/42/379833742.db2.gz QJQVLNOELRLEFQ-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO CC(C)[C@@H]1C[C@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCO1 ZINC000352747574 379936113 /nfs/dbraw/zinc/93/61/13/379936113.db2.gz GLVVXPALTZPHPI-ZBFHGGJFSA-N 1 0 292.379 3.136 20 5 CGBDRO CCc1ccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000352766731 379948516 /nfs/dbraw/zinc/94/85/16/379948516.db2.gz AGTACTMUUWFKQT-LBPRGKRZSA-N 1 0 285.347 3.403 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CS1 ZINC000414502158 380277125 /nfs/dbraw/zinc/27/71/25/380277125.db2.gz OUAUZNBGSPKUGE-YJLKIPLNSA-N 1 0 278.377 3.092 20 5 CGBDRO CCCC[C@H](C[NH3+])NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414816349 380428483 /nfs/dbraw/zinc/42/84/83/380428483.db2.gz PNNKNSUILZPYAB-CQSZACIVSA-N 1 0 293.411 3.325 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000268905255 190449412 /nfs/dbraw/zinc/44/94/12/190449412.db2.gz GOLDNONCHPXYST-SWLSCSKDSA-N 1 0 280.368 3.225 20 5 CGBDRO CC[C@@](C)(O)C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417314915 380591165 /nfs/dbraw/zinc/59/11/65/380591165.db2.gz ROJBPHCGUHGPBK-HZPDHXFCSA-N 1 0 292.379 3.113 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CC23CC3)cccc1[N+](=O)[O-] ZINC000417339824 380598213 /nfs/dbraw/zinc/59/82/13/380598213.db2.gz OMQGPLHWPWLYSC-VXGBXAGGSA-N 1 0 260.337 3.354 20 5 CGBDRO C[C@H]([NH2+]CCOCC1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000419293438 380796103 /nfs/dbraw/zinc/79/61/03/380796103.db2.gz UWJMBWFUXXFKLS-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO CO[C@]1(C)CCC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000279205355 194332035 /nfs/dbraw/zinc/33/20/35/194332035.db2.gz BFFROLLILWVQLU-SWLSCSKDSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000421373903 380913580 /nfs/dbraw/zinc/91/35/80/380913580.db2.gz FFUXPCMPCYBSHN-BPLDGKMQSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000357729996 381267491 /nfs/dbraw/zinc/26/74/91/381267491.db2.gz KLNRYGLINVNXKW-NEPJUHHUSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359993244 381402218 /nfs/dbraw/zinc/40/22/18/381402218.db2.gz RCCLGYDPLJCEHJ-VIFPVBQESA-N 1 0 254.717 3.090 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000360469884 381554562 /nfs/dbraw/zinc/55/45/62/381554562.db2.gz YAZYQEZHSARGRT-FZMZJTMJSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)CC1CCC1 ZINC000361480989 381764754 /nfs/dbraw/zinc/76/47/54/381764754.db2.gz IMBJMLSAWYFKJC-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000362192943 381906404 /nfs/dbraw/zinc/90/64/04/381906404.db2.gz XDMWEOKCUFXTGL-UHFFFAOYSA-N 1 0 296.342 3.365 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362315826 381941440 /nfs/dbraw/zinc/94/14/40/381941440.db2.gz IOKFHZGORGQTFL-WDEREUQCSA-N 1 0 296.342 3.363 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169879 532967726 /nfs/dbraw/zinc/96/77/26/532967726.db2.gz PVLIVZLTVIOZHI-OLZOCXBDSA-N 1 0 294.395 3.319 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCCS1 ZINC000350358939 219010289 /nfs/dbraw/zinc/01/02/89/219010289.db2.gz RJTHKIUFUHMHIO-CQSZACIVSA-N 1 0 280.393 3.279 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1CCCSC1 ZINC000288535640 197106576 /nfs/dbraw/zinc/10/65/76/197106576.db2.gz WGCIRYZXLKKGQC-MXPWBENCSA-N 1 0 292.404 3.341 20 5 CGBDRO CC[C@@H]1C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCCO1 ZINC000281304299 195189308 /nfs/dbraw/zinc/18/93/08/195189308.db2.gz PXOLJRBSFGTZJY-SBJJXXPASA-N 1 0 290.363 3.109 20 5 CGBDRO COCCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000355480724 533220327 /nfs/dbraw/zinc/22/03/27/533220327.db2.gz CLKVTILMTUMQDE-DAXSKMNVSA-N 1 0 290.363 3.157 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC12CCC2 ZINC000449128792 533222347 /nfs/dbraw/zinc/22/23/47/533222347.db2.gz ARRHFHGZXYEDGJ-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO Cc1c(C[N@H+]2CCSC[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000190466969 130107029 /nfs/dbraw/zinc/10/70/29/130107029.db2.gz IVGBSGZWKHGYEG-LLVKDONJSA-N 1 0 280.393 3.088 20 5 CGBDRO Cc1c(C[N@@H+]2CCS[C@H](C)CC2)cccc1[N+](=O)[O-] ZINC000192173238 130386381 /nfs/dbraw/zinc/38/63/81/130386381.db2.gz FJAJRDYKCGOCRL-LLVKDONJSA-N 1 0 280.393 3.231 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000048777035 392015126 /nfs/dbraw/zinc/01/51/26/392015126.db2.gz OPRRQINXOXCBMV-CYBMUJFWSA-N 1 0 286.331 3.324 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3ccccc3C2)c1 ZINC000048436728 392000193 /nfs/dbraw/zinc/00/01/93/392000193.db2.gz PEYXWIHPOGQOMS-MRXNPFEDSA-N 1 0 282.343 3.242 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000068836798 392168646 /nfs/dbraw/zinc/16/86/46/392168646.db2.gz RKBIOCKRQXNGTH-MRXNPFEDSA-N 1 0 297.358 3.281 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)C2CCCC2)cc1[N+](=O)[O-] ZINC000070306989 392181135 /nfs/dbraw/zinc/18/11/35/392181135.db2.gz SKFLTLXRCOHMIR-NSHDSACASA-N 1 0 278.352 3.272 20 5 CGBDRO CCC(CC)[C@@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000361270472 392274172 /nfs/dbraw/zinc/27/41/72/392274172.db2.gz DXDUJYLBRHFLAW-CQSZACIVSA-N 1 0 294.399 3.077 20 5 CGBDRO CCCO[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000108393784 392342146 /nfs/dbraw/zinc/34/21/46/392342146.db2.gz UYXUVDCZIYDFHD-MRXNPFEDSA-N 1 0 292.379 3.376 20 5 CGBDRO C[C@@H]([NH2+]Cc1cnc(C2CC2)nc1)c1cccc([N+](=O)[O-])c1 ZINC000459400136 542694693 /nfs/dbraw/zinc/69/46/93/542694693.db2.gz ZLGMRYYPKRTWDY-LLVKDONJSA-N 1 0 298.346 3.113 20 5 CGBDRO Cc1c([C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000290229748 392444216 /nfs/dbraw/zinc/44/42/16/392444216.db2.gz RNQLAHLHCLHFSD-TZMCWYRMSA-N 1 0 293.411 3.283 20 5 CGBDRO C[NH+](C)[C@@H]1CCCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000287651524 392403044 /nfs/dbraw/zinc/40/30/44/392403044.db2.gz IEYJIAJPIQSGSR-GFCCVEGCSA-N 1 0 297.786 3.169 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)CCCCO)cccc1[N+](=O)[O-] ZINC000296446496 392559584 /nfs/dbraw/zinc/55/95/84/392559584.db2.gz MOZWQYWEDIFPLW-DGCLKSJQSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718505 392573890 /nfs/dbraw/zinc/57/38/90/392573890.db2.gz JRWUVJVQPSIMKW-BBRMVZONSA-N 1 0 292.379 3.110 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000183044945 392751523 /nfs/dbraw/zinc/75/15/23/392751523.db2.gz TYDVUXVDJIDIRN-NXEZZACHSA-N 1 0 254.305 3.258 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000332229335 392698613 /nfs/dbraw/zinc/69/86/13/392698613.db2.gz LNFJQISQWIWFEP-QWRGUYRKSA-N 1 0 288.351 3.092 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711381 393004631 /nfs/dbraw/zinc/00/46/31/393004631.db2.gz AFQHTXPPEHPSMW-UONOGXRCSA-N 1 0 292.379 3.404 20 5 CGBDRO Cc1c(C[N@@H+](C)CCCOC(C)C)cccc1[N+](=O)[O-] ZINC000265916616 393173115 /nfs/dbraw/zinc/17/31/15/393173115.db2.gz ZDENJTDYLMLCEK-UHFFFAOYSA-N 1 0 280.368 3.150 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCC12CCCC2 ZINC000468005364 393115560 /nfs/dbraw/zinc/11/55/60/393115560.db2.gz PQNFCWONODKZJP-OAHLLOKOSA-N 1 0 274.364 3.450 20 5 CGBDRO CC(C)c1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415060479 393121858 /nfs/dbraw/zinc/12/18/58/393121858.db2.gz WYIUOYHPDDHWAG-HNNXBMFYSA-N 1 0 293.411 3.181 20 5 CGBDRO CC(C)c1ccc(CN[C@H](C[NH3+])C(C)(C)C)cc1[N+](=O)[O-] ZINC000415060481 393122095 /nfs/dbraw/zinc/12/20/95/393122095.db2.gz WYIUOYHPDDHWAG-OAHLLOKOSA-N 1 0 293.411 3.181 20 5 CGBDRO CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269712087 393229899 /nfs/dbraw/zinc/22/98/99/393229899.db2.gz QCJCMZHBMAPFFM-INIZCTEOSA-N 1 0 292.379 3.283 20 5 CGBDRO CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000269712089 393231218 /nfs/dbraw/zinc/23/12/18/393231218.db2.gz QCJCMZHBMAPFFM-MRXNPFEDSA-N 1 0 292.379 3.283 20 5 CGBDRO CC[C@@H](O)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279163660 393332692 /nfs/dbraw/zinc/33/26/92/393332692.db2.gz UGBZOOHSSUPLKV-DOMZBBRYSA-N 1 0 292.379 3.068 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1(C)C ZINC000484299098 393445046 /nfs/dbraw/zinc/44/50/46/393445046.db2.gz ZSBJUPPDYZRSCY-NILFDRSVSA-N 1 0 292.379 3.367 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1C(C)C ZINC000430192460 393536281 /nfs/dbraw/zinc/53/62/81/393536281.db2.gz ARKYSYZIRGHPFN-AWEZNQCLSA-N 1 0 278.352 3.224 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC1(C)C ZINC000489433922 393597234 /nfs/dbraw/zinc/59/72/34/393597234.db2.gz BWCJLQZIGKBSFN-GFCCVEGCSA-N 1 0 268.744 3.479 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCCCF)cccc1[N+](=O)[O-] ZINC000361002027 393635806 /nfs/dbraw/zinc/63/58/06/393635806.db2.gz HXGFZXIGIZAQLI-NSHDSACASA-N 1 0 254.305 3.304 20 5 CGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000432791215 393639496 /nfs/dbraw/zinc/63/94/96/393639496.db2.gz ZBUPDYSYMPMVMM-LBPRGKRZSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000432787508 393639805 /nfs/dbraw/zinc/63/98/05/393639805.db2.gz GXQVXKFFXKANSG-LBPRGKRZSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000441682093 393737424 /nfs/dbraw/zinc/73/74/24/393737424.db2.gz RKBSTJFNRDTMRN-MGPQQGTHSA-N 1 0 290.363 3.014 20 5 CGBDRO CO[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000443072668 393742658 /nfs/dbraw/zinc/74/26/58/393742658.db2.gz VPOAUWWRILTQPS-HIINFBLBSA-N 1 0 290.363 3.107 20 5 CGBDRO CCOc1cc(C[N@H+](C)CC(C)C)ccc1[N+](=O)[O-] ZINC000492565976 393755493 /nfs/dbraw/zinc/75/54/93/393755493.db2.gz YFOKJPXEQUMEHA-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO C[C@H]1CC2(CCC2)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000433238208 393702127 /nfs/dbraw/zinc/70/21/27/393702127.db2.gz FADWYSJJZKKMHL-ZDUSSCGKSA-N 1 0 274.364 3.402 20 5 CGBDRO Cc1ncccc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000492401935 393728340 /nfs/dbraw/zinc/72/83/40/393728340.db2.gz WPRABIZNFVXZNY-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000502417982 393874913 /nfs/dbraw/zinc/87/49/13/393874913.db2.gz VBYRAAHJQZPLTF-BMFZPTHFSA-N 1 0 274.364 3.306 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@H]2C2CC2)cc1 ZINC000449543122 393892940 /nfs/dbraw/zinc/89/29/40/393892940.db2.gz SCQGQCGCEWIOGR-JKSUJKDBSA-N 1 0 272.348 3.215 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])[C@@H](O)CC ZINC000449641806 393932474 /nfs/dbraw/zinc/93/24/74/393932474.db2.gz VVGKIBFGFVKDBW-XPKDYRNWSA-N 1 0 294.395 3.055 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000453112345 394175355 /nfs/dbraw/zinc/17/53/55/394175355.db2.gz CJWIOPVRWKWFME-OAHLLOKOSA-N 1 0 285.347 3.273 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CC[C@@H](C)O2)cccc1[N+](=O)[O-] ZINC000453403624 394234975 /nfs/dbraw/zinc/23/49/75/394234975.db2.gz HCQLYFARBHJUBT-KGYLQXTDSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H](C)O2)cccc1[N+](=O)[O-] ZINC000453403623 394235136 /nfs/dbraw/zinc/23/51/36/394235136.db2.gz HCQLYFARBHJUBT-DRZSPHRISA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453429260 394243411 /nfs/dbraw/zinc/24/34/11/394243411.db2.gz QHJMOHFLDUKZME-CHWSQXEVSA-N 1 0 292.379 3.451 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453169492 394195046 /nfs/dbraw/zinc/19/50/46/394195046.db2.gz UGAXMBZKKAFGQN-BYCMXARLSA-N 1 0 290.363 3.203 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)CC(C)C ZINC000558404663 289492057 /nfs/dbraw/zinc/49/20/57/289492057.db2.gz HPTZWNINLSATRR-LBPRGKRZSA-N 1 0 280.368 3.375 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296235628 292382904 /nfs/dbraw/zinc/38/29/04/292382904.db2.gz AOHBSWYVZYGMGH-RYUDHWBXSA-N 1 0 266.341 3.061 20 5 CGBDRO Cn1cccc1[C@@H]1CCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000076612863 287035311 /nfs/dbraw/zinc/03/53/11/287035311.db2.gz AWZKLLBDDJVYNK-KRWDZBQOSA-N 1 0 299.374 3.313 20 5 CGBDRO C[C@@H]1[C@H](C)SCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000093499834 287117160 /nfs/dbraw/zinc/11/71/60/287117160.db2.gz MUANCIBOSZIRRM-JOVKLMRISA-N 1 0 292.404 3.434 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCc2ccccc2)cc1 ZINC000020122764 171003379 /nfs/dbraw/zinc/00/33/79/171003379.db2.gz XQUYDQNTPJFCOU-UHFFFAOYSA-N 1 0 270.332 3.317 20 5 CGBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000020145128 171030427 /nfs/dbraw/zinc/03/04/27/171030427.db2.gz LOJNNWGDMRKMNR-LBPRGKRZSA-N 1 0 274.320 3.299 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCOCC2CC2)c1 ZINC000035368222 172159855 /nfs/dbraw/zinc/15/98/55/172159855.db2.gz MPLYKLMQNDYORU-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@@H](c1cccnc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236579 196229062 /nfs/dbraw/zinc/22/90/62/196229062.db2.gz GHEXXECXIMTRRW-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccccc2)cccc1[N+](=O)[O-] ZINC000035648622 172325603 /nfs/dbraw/zinc/32/56/03/172325603.db2.gz NBLQUMLKTXISCE-UHFFFAOYSA-N 1 0 256.305 3.193 20 5 CGBDRO CCOC1CC(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000285629289 196348699 /nfs/dbraw/zinc/34/86/99/196348699.db2.gz NHLKDVAPOSCBGN-XIKARTHZSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)CC(C)C)cc1[N+](=O)[O-] ZINC000037264838 173073329 /nfs/dbraw/zinc/07/33/29/173073329.db2.gz HDXLGGLVXGZFCW-LLVKDONJSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000037562705 173510531 /nfs/dbraw/zinc/51/05/31/173510531.db2.gz FIUIBDNQNORRFI-MWLCHTKSSA-N 1 0 254.355 3.325 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCCC1 ZINC000037999307 173961398 /nfs/dbraw/zinc/96/13/98/173961398.db2.gz KBGOYPYJHNEGNI-GFCCVEGCSA-N 1 0 295.358 3.268 20 5 CGBDRO C[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000044526205 175191510 /nfs/dbraw/zinc/19/15/10/175191510.db2.gz NZRBYLNZSKODPG-UHFFFAOYSA-N 1 0 283.759 3.002 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044572643 175210291 /nfs/dbraw/zinc/21/02/91/175210291.db2.gz XWHXLIRTEZWWLV-SNVBAGLBSA-N 1 0 283.759 3.143 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C[C@H]1CC=CCC1 ZINC000062726541 175673931 /nfs/dbraw/zinc/67/39/31/175673931.db2.gz GNEULFCRLDDIGS-ZDUSSCGKSA-N 1 0 260.337 3.083 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)CC(C)(C)C ZINC000536841227 288505654 /nfs/dbraw/zinc/50/56/54/288505654.db2.gz YFDWFDIEZMEUGY-OLZOCXBDSA-N 1 0 294.395 3.351 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000189714617 260228503 /nfs/dbraw/zinc/22/85/03/260228503.db2.gz VHNNIBNWXDIBKQ-GFCCVEGCSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525640069 260779027 /nfs/dbraw/zinc/77/90/27/260779027.db2.gz NXQDHPCRDZHERJ-KGLIPLIRSA-N 1 0 292.379 3.484 20 5 CGBDRO CCC[C@H]([NH2+]CC1(CC)COC1)c1cccc([N+](=O)[O-])c1 ZINC000393963602 262380869 /nfs/dbraw/zinc/38/08/69/262380869.db2.gz JJKFZISCRVWYQO-HNNXBMFYSA-N 1 0 292.379 3.452 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000046228900 270039478 /nfs/dbraw/zinc/03/94/78/270039478.db2.gz ORNFQWIOUAHOTC-HNNXBMFYSA-N 1 0 297.358 3.281 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531973046 270211961 /nfs/dbraw/zinc/21/19/61/270211961.db2.gz IKWKCVBUFBISCQ-IUODEOHRSA-N 1 0 280.368 3.105 20 5 CGBDRO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000355451063 273609717 /nfs/dbraw/zinc/60/97/17/273609717.db2.gz CWMMSJFOGWSKKP-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000290022787 274075960 /nfs/dbraw/zinc/07/59/60/274075960.db2.gz CLKWIOOXHNXAQA-HFAKWTLXSA-N 1 0 292.379 3.330 20 5 CGBDRO CO[C@H](CC(C)C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000419269737 274076465 /nfs/dbraw/zinc/07/64/65/274076465.db2.gz PFYHZLXYBJPOFA-OAHLLOKOSA-N 1 0 294.395 3.130 20 5 CGBDRO C[C@@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000339001437 274226234 /nfs/dbraw/zinc/22/62/34/274226234.db2.gz HQPBHJSCCMYJHM-OLZOCXBDSA-N 1 0 277.368 3.270 20 5 CGBDRO CCN(CCC[NH+](CC)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000338239322 276096184 /nfs/dbraw/zinc/09/61/84/276096184.db2.gz OGYLYVWICYWIGD-UHFFFAOYSA-N 1 0 293.411 3.149 20 5 CGBDRO CCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000156570576 276174362 /nfs/dbraw/zinc/17/43/62/276174362.db2.gz RIZXHGOZSJXLHS-UONOGXRCSA-N 1 0 291.395 3.038 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC=C(C)CC2)cc1[N+](=O)[O-] ZINC000294189267 287916855 /nfs/dbraw/zinc/91/68/55/287916855.db2.gz KFCUXCGXUBFZRL-CYBMUJFWSA-N 1 0 276.336 3.192 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421841868 277472437 /nfs/dbraw/zinc/47/24/37/277472437.db2.gz JZRIPKNIYTVWKT-GFCCVEGCSA-N 1 0 278.352 3.032 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000126444983 278131938 /nfs/dbraw/zinc/13/19/38/278131938.db2.gz DPTKTYJVYRJKCI-NSHDSACASA-N 1 0 268.382 3.168 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000397584157 288024629 /nfs/dbraw/zinc/02/46/29/288024629.db2.gz GWGXPGRRACYHJQ-JQWIXIFHSA-N 1 0 278.352 3.128 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000397777015 288030171 /nfs/dbraw/zinc/03/01/71/288030171.db2.gz TXGQXIITVAHRRN-RUZUBIRVSA-N 1 0 260.337 3.352 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CSC[C@@H]2C)cc1[N+](=O)[O-] ZINC000287514240 280982089 /nfs/dbraw/zinc/98/20/89/280982089.db2.gz OHZNQQLTSBRMGN-GVXVVHGQSA-N 1 0 280.393 3.305 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)o1 ZINC000532449731 288361532 /nfs/dbraw/zinc/36/15/32/288361532.db2.gz RWZBTCVWVLOBSL-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO CC(C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC(C)C ZINC000552209870 289172249 /nfs/dbraw/zinc/17/22/49/289172249.db2.gz BRBQVWDVBNIPTC-UHFFFAOYSA-N 1 0 280.368 3.470 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@H](Nc2c(F)cccc2[N+](=O)[O-])C1 ZINC000553489330 289227197 /nfs/dbraw/zinc/22/71/97/289227197.db2.gz ZMKCZXZLEWCWIV-WDEREUQCSA-N 1 0 281.331 3.019 20 5 CGBDRO COC1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCCC1 ZINC000555339658 289340054 /nfs/dbraw/zinc/34/00/54/289340054.db2.gz FVSWMVXNMSCRBR-UHFFFAOYSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@@H](F)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556234135 289378873 /nfs/dbraw/zinc/37/88/73/289378873.db2.gz VBUHCQPGONTFBS-RISCZKNCSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000556787385 289408398 /nfs/dbraw/zinc/40/83/98/289408398.db2.gz TYJWCPJGCCGQKW-LBPRGKRZSA-N 1 0 297.358 3.329 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC([C@@H](C)O)CC1 ZINC000272198469 301867838 /nfs/dbraw/zinc/86/78/38/301867838.db2.gz ADQJZSXTYJKSDG-QWHCGFSZSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000580328956 327829404 /nfs/dbraw/zinc/82/94/04/327829404.db2.gz IFVMFNJBCSPCOH-KRWDZBQOSA-N 1 0 297.358 3.263 20 5 CGBDRO Cc1cccc(N[C@H](C)C[N@@H+](C)C(C)C)c1[N+](=O)[O-] ZINC000388763537 328300542 /nfs/dbraw/zinc/30/05/42/328300542.db2.gz LFCHEGLLDUHTJJ-GFCCVEGCSA-N 1 0 265.357 3.044 20 5 CGBDRO Cc1cccnc1C(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000569770851 322256543 /nfs/dbraw/zinc/25/65/43/322256543.db2.gz HEDSHDUTSGVWMS-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC[C@@H]1CCOC1 ZINC000570792177 322282240 /nfs/dbraw/zinc/28/22/40/322282240.db2.gz XWICMUIPQXDHCC-ZIAGYGMSSA-N 1 0 292.379 3.371 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000573443817 322388296 /nfs/dbraw/zinc/38/82/96/322388296.db2.gz BHYWEGPLXFKLIL-CHWSQXEVSA-N 1 0 296.342 3.364 20 5 CGBDRO CC1(C)CC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000583642179 328725264 /nfs/dbraw/zinc/72/52/64/328725264.db2.gz RGNQMWQINHXATM-OLZOCXBDSA-N 1 0 292.383 3.053 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCC1CC1 ZINC000584361520 329102661 /nfs/dbraw/zinc/10/26/61/329102661.db2.gz UBALPVINZHAJPO-AWEZNQCLSA-N 1 0 260.337 3.362 20 5 CGBDRO CO[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)(C)C ZINC000583093349 329314755 /nfs/dbraw/zinc/31/47/55/329314755.db2.gz HXVWPHYZGUOKMF-ZFWWWQNUSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1ncncc1[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000578667571 335662011 /nfs/dbraw/zinc/66/20/11/335662011.db2.gz VQQKUNQFOIPPBW-PWSUYJOCSA-N 1 0 286.335 3.105 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261845 336122983 /nfs/dbraw/zinc/12/29/83/336122983.db2.gz LNVMFJQSPINPQT-IINYFYTJSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@H](C)O1 ZINC000449169378 533944730 /nfs/dbraw/zinc/94/47/30/533944730.db2.gz GSNUCKKAPMMIFB-WWGRRREGSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000414220789 533956468 /nfs/dbraw/zinc/95/64/68/533956468.db2.gz CLCHUVOULGJRGL-USWWRNFRSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)cc1[N+](=O)[O-] ZINC000423234321 534226109 /nfs/dbraw/zinc/22/61/09/534226109.db2.gz FOGQDHADDXTUCJ-BBRMVZONSA-N 1 0 299.374 3.254 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1 ZINC000449193467 534254351 /nfs/dbraw/zinc/25/43/51/534254351.db2.gz SMPDFXYVCLYNLU-AAEUAGOBSA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1 ZINC000449193470 534254536 /nfs/dbraw/zinc/25/45/36/534254536.db2.gz SMPDFXYVCLYNLU-WCQYABFASA-N 1 0 280.393 3.011 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C12CCC2 ZINC000087710892 520550576 /nfs/dbraw/zinc/55/05/76/520550576.db2.gz DXOAYXIKLGKLJA-CABCVRRESA-N 1 0 290.363 3.032 20 5 CGBDRO CCC[C@H]([NH2+]CC1(C)COC1)c1cccc([N+](=O)[O-])c1 ZINC000094721713 521157411 /nfs/dbraw/zinc/15/74/11/521157411.db2.gz QUWWDKXJUFCMKV-AWEZNQCLSA-N 1 0 278.352 3.062 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000097436539 521161100 /nfs/dbraw/zinc/16/11/00/521161100.db2.gz SSVBFDJMRUGASH-DOMZBBRYSA-N 1 0 280.368 3.044 20 5 CGBDRO C[C@H](C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC000183958163 524295476 /nfs/dbraw/zinc/29/54/76/524295476.db2.gz UBNIHRZZKVWOIK-LLVKDONJSA-N 1 0 291.376 3.287 20 5 CGBDRO C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000105447648 524900045 /nfs/dbraw/zinc/90/00/45/524900045.db2.gz YUYVDKQLAFLRCZ-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000414227770 527718963 /nfs/dbraw/zinc/71/89/63/527718963.db2.gz XNPPIKNXCIPZQA-ZFWWWQNUSA-N 1 0 274.364 3.304 20 5 CGBDRO CCC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447583598 527751831 /nfs/dbraw/zinc/75/18/31/527751831.db2.gz BQXQFNCSBBDFCV-CHWSQXEVSA-N 1 0 292.383 3.055 20 5 CGBDRO CCC[C@H](NC[C@@H]([NH3+])C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000423263951 528222107 /nfs/dbraw/zinc/22/21/07/528222107.db2.gz BOVRCPBLDUCLOJ-CABCVRRESA-N 1 0 279.384 3.009 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H](C)C1CC1 ZINC000175058369 528612455 /nfs/dbraw/zinc/61/24/55/528612455.db2.gz UYLIMRYJKVYNJN-NSHDSACASA-N 1 0 278.352 3.224 20 5 CGBDRO CCC(CC)[C@H](O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000162206298 528865306 /nfs/dbraw/zinc/86/53/06/528865306.db2.gz YBUXFVASZPIWDN-MLGOLLRUSA-N 1 0 294.395 3.351 20 5 CGBDRO CCCC[C@H](C[NH3+])N[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000423293777 528955623 /nfs/dbraw/zinc/95/56/23/528955623.db2.gz ASKGTGOWHBILOB-HIFRSBDPSA-N 1 0 279.384 3.153 20 5 CGBDRO CC[C@@H](C)[NH+]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000451823240 535565921 /nfs/dbraw/zinc/56/59/21/535565921.db2.gz MXTZRWKEKKYKEL-ZIAGYGMSSA-N 1 0 291.395 3.072 20 5 CGBDRO CO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000451632399 536648294 /nfs/dbraw/zinc/64/82/94/536648294.db2.gz OIIZUZPJGRELCY-NILFDRSVSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000727833697 571772279 /nfs/dbraw/zinc/77/22/79/571772279.db2.gz YOYLLIMXGDQWQO-LBPRGKRZSA-N 1 0 252.289 3.108 20 5 CGBDRO CC(C)(C)[N@@H+]1CCCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000732568321 572472379 /nfs/dbraw/zinc/47/23/79/572472379.db2.gz PQRFZEZRSBNTOS-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO Cc1ccc(C[NH2+]C2[C@@H](C)CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000749923261 573058750 /nfs/dbraw/zinc/05/87/50/573058750.db2.gz HWZLLDVTMTWTDR-RYUDHWBXSA-N 1 0 262.353 3.427 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOc2ccccc2)cc1 ZINC000049825161 617960152 /nfs/dbraw/zinc/96/01/52/617960152.db2.gz NKNSGEUGDTYBKS-UHFFFAOYSA-N 1 0 286.331 3.154 20 5 CGBDRO CC(C)SCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000310617476 618815302 /nfs/dbraw/zinc/81/53/02/618815302.db2.gz ARHWCJAUFXKFSK-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH2+][C@H]1CC2CCC1CC2 ZINC000313122307 619163691 /nfs/dbraw/zinc/16/36/91/619163691.db2.gz CNFZQLDLLOQHPZ-MGULZYLOSA-N 1 0 278.327 3.402 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690892 619278047 /nfs/dbraw/zinc/27/80/47/619278047.db2.gz XMVYIQOPOWJBRT-STQMWFEESA-N 1 0 294.399 3.204 20 5 CGBDRO CC(C)(C)[NH2+]CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000230970668 619287869 /nfs/dbraw/zinc/28/78/69/619287869.db2.gz KJSVXLQQLATQQX-UHFFFAOYSA-N 1 0 271.748 3.048 20 5 CGBDRO C[NH+](C)CC[C@H]1CCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000895327789 619805820 /nfs/dbraw/zinc/80/58/20/619805820.db2.gz BUMMWQYLZXOGSV-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)cc1Cl ZINC000895778618 619884714 /nfs/dbraw/zinc/88/47/14/619884714.db2.gz AVQGOYRXLFIVCM-PHIMTYICSA-N 1 0 298.795 3.043 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cnc(F)c(C)c2)cc1[N+](=O)[O-] ZINC000895834779 619894945 /nfs/dbraw/zinc/89/49/45/619894945.db2.gz UTNGIUISGMGOBW-UHFFFAOYSA-N 1 0 289.310 3.036 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897460736 620340166 /nfs/dbraw/zinc/34/01/66/620340166.db2.gz VPWOFKATLCMYEG-NSHDSACASA-N 1 0 290.319 3.090 20 5 CGBDRO CO[C@](C)(C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897464998 620340441 /nfs/dbraw/zinc/34/04/41/620340441.db2.gz QDAXOQIONKHJEB-MLGOLLRUSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@H](C[NH2+]Cc1ccncc1F)c1ccccc1[N+](=O)[O-] ZINC000897463804 620340593 /nfs/dbraw/zinc/34/05/93/620340593.db2.gz JAISAVINBKSADV-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000925313410 620398086 /nfs/dbraw/zinc/39/80/86/620398086.db2.gz MUHZEWFKWFZUMG-UKRRQHHQSA-N 1 0 280.368 3.014 20 5 CGBDRO CC1(C)CC2(CC([NH2+]Cc3ccc([N+](=O)[O-])cc3)C2)CO1 ZINC000925314203 620404920 /nfs/dbraw/zinc/40/49/20/620404920.db2.gz RUBFSYSLTYPAAP-UHFFFAOYSA-N 1 0 290.363 3.032 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cncs1 ZINC000897930003 620450402 /nfs/dbraw/zinc/45/04/02/620450402.db2.gz GMMKBESEPHKJCR-SKDRFNHKSA-N 1 0 289.360 3.389 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cncs1 ZINC000897930001 620450804 /nfs/dbraw/zinc/45/08/04/620450804.db2.gz GMMKBESEPHKJCR-CABZTGNLSA-N 1 0 289.360 3.389 20 5 CGBDRO CC[C@](C)(C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)OC ZINC000322909345 620525623 /nfs/dbraw/zinc/52/56/23/620525623.db2.gz IJTYYNDPXQNWJE-CYBMUJFWSA-N 1 0 286.759 3.153 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN[C@@H]1CC[NH2+]C1 ZINC000841044824 620544062 /nfs/dbraw/zinc/54/40/62/620544062.db2.gz JIHKWAARZMEUNT-MRXNPFEDSA-N 1 0 276.383 3.445 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(CNC/C=C/Cl)c1 ZINC000898435981 620588058 /nfs/dbraw/zinc/58/80/58/620588058.db2.gz OWHNKTPXNFVYKH-DAFODLJHSA-N 1 0 292.669 3.038 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903056043 621545014 /nfs/dbraw/zinc/54/50/14/621545014.db2.gz PYDJTIGCSPOERN-JTQLQIEISA-N 1 0 264.325 3.197 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC=C(C)C)cc([N+](=O)[O-])c1 ZINC000903158003 621603362 /nfs/dbraw/zinc/60/33/62/621603362.db2.gz QCDXLQFWSSRVPL-LLVKDONJSA-N 1 0 264.325 3.220 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CSC[C@H]2C)cc([N+](=O)[O-])c1 ZINC000903172078 621612053 /nfs/dbraw/zinc/61/20/53/621612053.db2.gz URBWEEBVSLDSDZ-BFVZDQMLSA-N 1 0 296.392 3.006 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903177612 621613757 /nfs/dbraw/zinc/61/37/57/621613757.db2.gz QGOJUBSXMWHHDB-RISCZKNCSA-N 1 0 296.367 3.069 20 5 CGBDRO CCSCCC[NH2+][C@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903168212 621617932 /nfs/dbraw/zinc/61/79/32/621617932.db2.gz UUWJCZWOLRHFMJ-LLVKDONJSA-N 1 0 298.408 3.397 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000903245720 621637600 /nfs/dbraw/zinc/63/76/00/621637600.db2.gz ONUNGWATZJWLAX-GUTXKFCHSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000903287306 621670822 /nfs/dbraw/zinc/67/08/22/621670822.db2.gz NNVYWVRMEQPRJN-ONERCXAPSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000903318915 621674015 /nfs/dbraw/zinc/67/40/15/621674015.db2.gz SLTQIXFPXNZKGW-FDRIWYBQSA-N 1 0 292.354 3.443 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C/C=C\Cl ZINC000903443199 621754919 /nfs/dbraw/zinc/75/49/19/621754919.db2.gz DATWEBMSNYXNAB-NWPZZWLHSA-N 1 0 254.717 3.306 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC000227826166 623032116 /nfs/dbraw/zinc/03/21/16/623032116.db2.gz MZODDVIKTHOIFY-CHWSQXEVSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154361342 624260884 /nfs/dbraw/zinc/26/08/84/624260884.db2.gz CVIOWJJXELZVET-IOASZLSFSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCS1 ZINC000922836055 626053698 /nfs/dbraw/zinc/05/36/98/626053698.db2.gz HXGNCODFIOJKCL-ONGXEEELSA-N 1 0 284.356 3.108 20 5 CGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCOc2ccccc21 ZINC000923025310 626120871 /nfs/dbraw/zinc/12/08/71/626120871.db2.gz MTYKEJIYTIZOBU-KRWDZBQOSA-N 1 0 298.342 3.382 20 5 CGBDRO C[C@H]1CCC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752074237 626417571 /nfs/dbraw/zinc/41/75/71/626417571.db2.gz DWCVZEOFGIYRLG-VIFPVBQESA-N 1 0 254.717 3.233 20 5 CGBDRO CCO[C@H]1CCCN(Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000761509939 627046611 /nfs/dbraw/zinc/04/66/11/627046611.db2.gz CXEFNZFAJXVZNB-LBPRGKRZSA-N 1 0 298.770 3.249 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@H]1CCOC1 ZINC000761505136 627046641 /nfs/dbraw/zinc/04/66/41/627046641.db2.gz GLDHEEOGWPMZLR-GFCCVEGCSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCOCC1CCC1 ZINC000764980589 627235328 /nfs/dbraw/zinc/23/53/28/627235328.db2.gz NTXDROPAKIOMBG-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[C@H]([NH2+]CCN1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269256 627308519 /nfs/dbraw/zinc/30/85/19/627308519.db2.gz MEKKGOLJRTWDLG-CJNGLKHVSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]([NH2+]CCNc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000766515683 627339984 /nfs/dbraw/zinc/33/99/84/627339984.db2.gz PKVVJNNCMRATRR-CYBMUJFWSA-N 1 0 285.347 3.358 20 5 CGBDRO CC1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776272802 628187514 /nfs/dbraw/zinc/18/75/14/628187514.db2.gz WXKWNHQVIDYVAO-LDZOIKDWSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CCC[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776278255 628188716 /nfs/dbraw/zinc/18/87/16/628188716.db2.gz SQUIRAHMFBMRKX-WQVCFCJDSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]1CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000783253935 628695378 /nfs/dbraw/zinc/69/53/78/628695378.db2.gz MISQTIWSPNCXBY-SWLSCSKDSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000783253934 628695597 /nfs/dbraw/zinc/69/55/97/628695597.db2.gz MISQTIWSPNCXBY-IUODEOHRSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788758964 629079275 /nfs/dbraw/zinc/07/92/75/629079275.db2.gz SNNDNNCYNUXEOF-SCVCMEIPSA-N 1 0 263.341 3.016 20 5 CGBDRO Cc1c(C[NH2+]CCCC2CCOCC2)cccc1[N+](=O)[O-] ZINC000792182949 629345687 /nfs/dbraw/zinc/34/56/87/629345687.db2.gz ITXOLZMGMWWYBM-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO CC(C)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2C(F)F)CC1 ZINC000865434426 630122105 /nfs/dbraw/zinc/12/21/05/630122105.db2.gz JPQQEWLSOISAJW-UHFFFAOYSA-N 1 0 299.321 3.063 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@H]1CCCS1 ZINC000865724691 630476140 /nfs/dbraw/zinc/47/61/40/630476140.db2.gz DAMRQVSWKXWKFF-BOTMBNHJSA-N 1 0 292.404 3.483 20 5 CGBDRO C[NH+](C)[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000804432025 630526946 /nfs/dbraw/zinc/52/69/46/630526946.db2.gz NQSLNAPERXHYCA-CYBMUJFWSA-N 1 0 283.759 3.000 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)[C@@H]1CCOC1 ZINC000812776081 631305670 /nfs/dbraw/zinc/30/56/70/631305670.db2.gz IKZADBAEEPADDE-GFCCVEGCSA-N 1 0 298.770 3.248 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)C[C@@H](C)OC ZINC000812807275 631316666 /nfs/dbraw/zinc/31/66/66/631316666.db2.gz HXBOXWLIFOEDLO-SNVBAGLBSA-N 1 0 286.759 3.105 20 5 CGBDRO C[N@H+](CCC[C@H]1CCO1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000876552625 634855795 /nfs/dbraw/zinc/85/57/95/634855795.db2.gz XLVGEYHPFVQCJD-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@]1(C)CCCO1 ZINC000815596523 631803538 /nfs/dbraw/zinc/80/35/38/631803538.db2.gz WZRPXKLQPQEWPO-QMTHXVAHSA-N 1 0 298.770 3.295 20 5 CGBDRO [NH3+]CCCCCCCn1ccc2c1cccc2[N+](=O)[O-] ZINC000818617832 632342279 /nfs/dbraw/zinc/34/22/79/632342279.db2.gz KKCJAFQHAULQJE-UHFFFAOYSA-N 1 0 275.352 3.459 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000818619655 632342342 /nfs/dbraw/zinc/34/23/42/632342342.db2.gz IJFHADJCOXUYON-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO Cc1cc(OCCCCCCC[NH3+])c(F)cc1[N+](=O)[O-] ZINC000818619675 632342724 /nfs/dbraw/zinc/34/27/24/632342724.db2.gz IWRKQDKNXVWSNB-UHFFFAOYSA-N 1 0 284.331 3.330 20 5 CGBDRO CC1(C)CCC[C@@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819334761 632432840 /nfs/dbraw/zinc/43/28/40/632432840.db2.gz KHLMCJKERPANTC-UKRRQHHQSA-N 1 0 292.379 3.044 20 5 CGBDRO COC(C)(C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000865756158 632880168 /nfs/dbraw/zinc/88/01/68/632880168.db2.gz YGLZJWBTIQZLIR-VURMDHGXSA-N 1 0 278.352 3.013 20 5 CGBDRO CC1([NH+]2CCCC2)CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000866022260 632977966 /nfs/dbraw/zinc/97/79/66/632977966.db2.gz TVBCOAFQBIXSCG-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CC(C)C1 ZINC000866302452 633072731 /nfs/dbraw/zinc/07/27/31/633072731.db2.gz GYSAYDMFYNLFNU-RUETXSTFSA-N 1 0 266.316 3.053 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])C1(C)CC1 ZINC000866314262 633078916 /nfs/dbraw/zinc/07/89/16/633078916.db2.gz FHJMTBPFOOIWGX-WDEREUQCSA-N 1 0 280.343 3.443 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866411082 633126019 /nfs/dbraw/zinc/12/60/19/633126019.db2.gz BPZFPSVYWQXBFH-QMTHXVAHSA-N 1 0 275.352 3.160 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1ccc([N+](=O)[O-])cc1 ZINC000866453568 633142504 /nfs/dbraw/zinc/14/25/04/633142504.db2.gz OMXGHBPYTMDINP-NILFDRSVSA-N 1 0 292.379 3.185 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000866583988 633203351 /nfs/dbraw/zinc/20/33/51/633203351.db2.gz WGJWKRYMUYVZJS-JHJVBQTASA-N 1 0 292.404 3.341 20 5 CGBDRO C[C@@H](C[C@@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000824462976 633247653 /nfs/dbraw/zinc/24/76/53/633247653.db2.gz WJHHZQWKCXWAKQ-AVGNSLFASA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122581212 633442298 /nfs/dbraw/zinc/44/22/98/633442298.db2.gz JGEXPVXWKBXEMI-HUUCEWRRSA-N 1 0 280.368 3.043 20 5 CGBDRO COCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872021309 633942017 /nfs/dbraw/zinc/94/20/17/633942017.db2.gz BDBHMCUNRZHCJS-LLVKDONJSA-N 1 0 298.408 3.394 20 5 CGBDRO CC[C@](C)(O)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872034398 633953213 /nfs/dbraw/zinc/95/32/13/633953213.db2.gz NMYSEVRYZQMVAQ-HZMBPMFUSA-N 1 0 298.408 3.128 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCCOC1 ZINC000872034906 633953906 /nfs/dbraw/zinc/95/39/06/633953906.db2.gz RKTKQDXMVWZIMN-WDEREUQCSA-N 1 0 296.392 3.146 20 5 CGBDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872043784 633966961 /nfs/dbraw/zinc/96/69/61/633966961.db2.gz MABRJEPYCQTBBY-UTUOFQBUSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H](O)CC(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872047006 633970297 /nfs/dbraw/zinc/97/02/97/633970297.db2.gz BAFIZANBWKEKDG-QWRGUYRKSA-N 1 0 298.358 3.182 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872060883 633982649 /nfs/dbraw/zinc/98/26/49/633982649.db2.gz AZLSFUZAUNUDKJ-LLVKDONJSA-N 1 0 298.358 3.447 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC=CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064111 633986477 /nfs/dbraw/zinc/98/64/77/633986477.db2.gz CAXCJIPFIMXCST-QWRGUYRKSA-N 1 0 280.299 3.077 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872069479 633990479 /nfs/dbraw/zinc/99/04/79/633990479.db2.gz QDTOMOLEAKBEDB-JKOKRWQUSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@@H]([NH2+]CCC(C)(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872074669 633997031 /nfs/dbraw/zinc/99/70/31/633997031.db2.gz ZOLCERZZSRBACU-MRVPVSSYSA-N 1 0 276.258 3.430 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077214 634000160 /nfs/dbraw/zinc/00/01/60/634000160.db2.gz CQSGBCCKKRVYBR-MPKXVKKWSA-N 1 0 296.342 3.342 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077995 634001899 /nfs/dbraw/zinc/00/18/99/634001899.db2.gz DDKYJHBWVGJUST-GHMZBOCLSA-N 1 0 284.331 3.057 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872079655 634003140 /nfs/dbraw/zinc/00/31/40/634003140.db2.gz ZHKZDEWKBUOSGL-YHAQOWFVSA-N 1 0 296.342 3.198 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086394 634012138 /nfs/dbraw/zinc/01/21/38/634012138.db2.gz VROZAHXIZCAGOD-PELKAZGASA-N 1 0 288.269 3.430 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872109080 634032748 /nfs/dbraw/zinc/03/27/48/634032748.db2.gz GTUDUNSWSLNDNR-RUAUBTSSSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000872129823 634050940 /nfs/dbraw/zinc/05/09/40/634050940.db2.gz WPKIOJLYUZOOJH-QWHCGFSZSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000832468388 634063184 /nfs/dbraw/zinc/06/31/84/634063184.db2.gz IEZGVORQQXPUKN-ZENOOKHLSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000832565291 634072265 /nfs/dbraw/zinc/07/22/65/634072265.db2.gz RSFYOAZRBPVMSG-SNVBAGLBSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCC[C@@H]1CCOC1 ZINC000873129989 634252984 /nfs/dbraw/zinc/25/29/84/634252984.db2.gz WBPRQOYROFMUDS-CQSZACIVSA-N 1 0 292.379 3.118 20 5 CGBDRO COCC(C)(C)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000873153133 634260831 /nfs/dbraw/zinc/26/08/31/634260831.db2.gz ATYISGZKDQBIIG-VURMDHGXSA-N 1 0 292.379 3.260 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCC[C@H]1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000840875348 635069899 /nfs/dbraw/zinc/06/98/99/635069899.db2.gz FWWSSQABUJWCSS-IRUJWGPZSA-N 1 0 281.331 3.108 20 5 CGBDRO COCC[C@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840954694 635092345 /nfs/dbraw/zinc/09/23/45/635092345.db2.gz IJXKVZXQEHBTLI-JTQLQIEISA-N 1 0 286.759 3.010 20 5 CGBDRO CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCCC1 ZINC000877572957 635098593 /nfs/dbraw/zinc/09/85/93/635098593.db2.gz UXDJXFACEVOEGF-PIMMBPRGSA-N 1 0 292.383 3.053 20 5 CGBDRO CCC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C1CCC1 ZINC000877585893 635102397 /nfs/dbraw/zinc/10/23/97/635102397.db2.gz PWOKBHGPRFLKHE-PIMMBPRGSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1Cc2ccc(O)cc2C1 ZINC000877651107 635132859 /nfs/dbraw/zinc/13/28/59/635132859.db2.gz RVDJKPPPYYEDRD-UHFFFAOYSA-N 1 0 298.342 3.433 20 5 CGBDRO Cc1nn(C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000841690889 635212463 /nfs/dbraw/zinc/21/24/63/635212463.db2.gz XMVYIQOPOWJBRT-CHWSQXEVSA-N 1 0 294.399 3.204 20 5 CGBDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000877814596 635223315 /nfs/dbraw/zinc/22/33/15/635223315.db2.gz UQINJIYFDJTACP-LBPRGKRZSA-N 1 0 288.269 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3CC=CC[C@@H]3C2)cc1F ZINC000879530017 635806114 /nfs/dbraw/zinc/80/61/14/635806114.db2.gz JLFHTCYNPHYNBI-BETUJISGSA-N 1 0 276.311 3.132 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(C(C)(C)O)CC1 ZINC000879627193 635821110 /nfs/dbraw/zinc/82/11/10/635821110.db2.gz WGTPLMSWGZCEMG-LBPRGKRZSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000880469149 636006352 /nfs/dbraw/zinc/00/63/52/636006352.db2.gz FVBCBRUIFWBBSR-TZMCWYRMSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@@]1(F)Cl ZINC000846039056 636135171 /nfs/dbraw/zinc/13/51/71/636135171.db2.gz SNHOEISTNCUXGO-OLZOCXBDSA-N 1 0 286.734 3.389 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2)C[C@]1(F)Cl ZINC000846039057 636135272 /nfs/dbraw/zinc/13/52/72/636135272.db2.gz SNHOEISTNCUXGO-QWHCGFSZSA-N 1 0 286.734 3.389 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000846040642 636136532 /nfs/dbraw/zinc/13/65/32/636136532.db2.gz XNLRDVXDEWLSDW-STQMWFEESA-N 1 0 286.734 3.389 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@]1(F)Cl ZINC000846041156 636136759 /nfs/dbraw/zinc/13/67/59/636136759.db2.gz ZBNNKEGKMKEQMY-CHWSQXEVSA-N 1 0 286.734 3.389 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccnc(F)c1[N+](=O)[O-] ZINC000881741688 636196034 /nfs/dbraw/zinc/19/60/34/636196034.db2.gz PQHGEZHEJLLNKR-LLVKDONJSA-N 1 0 298.362 3.051 20 5 CGBDRO C=C/C=C\CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883269177 636640003 /nfs/dbraw/zinc/64/00/03/636640003.db2.gz AXFVOEGRSIEBLQ-QMAVJUDZSA-N 1 0 278.327 3.387 20 5 CGBDRO Cc1cc(NCC[NH2+]C2CCCCCC2)ncc1[N+](=O)[O-] ZINC000133542080 636931030 /nfs/dbraw/zinc/93/10/30/636931030.db2.gz VNSKVVGRHKLLCD-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1C=CCC1)C1CC1 ZINC000850506438 637093864 /nfs/dbraw/zinc/09/38/64/637093864.db2.gz AWTJWBPHKVHBMZ-GJZGRUSLSA-N 1 0 272.348 3.224 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000850530314 637107493 /nfs/dbraw/zinc/10/74/93/637107493.db2.gz XBIBQCROLVMGEA-YMRXKLBXSA-N 1 0 298.342 3.424 20 5 CGBDRO CC(C)C[NH+](Cc1cccnc1[N+](=O)[O-])CC(C)C ZINC000885949071 637326432 /nfs/dbraw/zinc/32/64/32/637326432.db2.gz NMUFLXXFQGWEII-UHFFFAOYSA-N 1 0 265.357 3.104 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CC1 ZINC000886001582 637352587 /nfs/dbraw/zinc/35/25/87/637352587.db2.gz DDEVKGBYGQUWCM-GJZGRUSLSA-N 1 0 292.379 3.075 20 5 CGBDRO CC(C)(C)C1CC[NH+](Cc2cccnc2[N+](=O)[O-])CC1 ZINC000886012580 637361602 /nfs/dbraw/zinc/36/16/02/637361602.db2.gz KMSYXSIGJXPVAD-UHFFFAOYSA-N 1 0 277.368 3.248 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@H](C2CC2)O1)c1ccc([N+](=O)[O-])cc1 ZINC000886220288 637462721 /nfs/dbraw/zinc/46/27/21/637462721.db2.gz FYZTVZCVGQXCEA-KNXALSJPSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CC[C@@H](C2CCCC2)C1 ZINC000886249352 637469941 /nfs/dbraw/zinc/46/99/41/637469941.db2.gz IQVNADXIRAMUOB-CYBMUJFWSA-N 1 0 275.352 3.002 20 5 CGBDRO CCCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000112679071 638104589 /nfs/dbraw/zinc/10/45/89/638104589.db2.gz GRXNIDWHVYNGRH-UHFFFAOYSA-N 1 0 291.395 3.297 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCOC23CCCCC3)cc1 ZINC000925312701 638495138 /nfs/dbraw/zinc/49/51/38/638495138.db2.gz JFMAWLVSBIHHMY-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO Cc1c(CN[C@@H](c2ccccc2)[C@@H](C)[NH3+])cccc1[N+](=O)[O-] ZINC000925659539 638559439 /nfs/dbraw/zinc/55/94/39/638559439.db2.gz WCYYGKCWNUHNLY-CXAGYDPISA-N 1 0 299.374 3.081 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)c1ccns1 ZINC000858575874 638995655 /nfs/dbraw/zinc/99/56/55/638995655.db2.gz FPBLJWIYIBWQLD-RKDXNWHRSA-N 1 0 292.364 3.045 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCC12CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858593671 638999401 /nfs/dbraw/zinc/99/94/01/638999401.db2.gz GXGWKCHDSNAEOO-DGCLKSJQSA-N 1 0 289.379 3.408 20 5 CGBDRO CCC[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000048770425 640069273 /nfs/dbraw/zinc/06/92/73/640069273.db2.gz MVNHOQQHHGDVLR-JSGCOSHPSA-N 1 0 262.353 3.306 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001253442352 806219862 /nfs/dbraw/zinc/21/98/62/806219862.db2.gz LAISLUMKQPBFMC-QWHCGFSZSA-N 1 0 299.321 3.158 20 5 CGBDRO CCC(CC)[NH+]1CCC(Nc2cc([N+](=O)[O-])ccn2)CC1 ZINC001161095098 806349267 /nfs/dbraw/zinc/34/92/67/806349267.db2.gz QFANINYAZFXZCE-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC[C@H]1F ZINC001254532833 806445503 /nfs/dbraw/zinc/44/55/03/806445503.db2.gz QSTLKGFHPCCKSW-KWCYVHTRSA-N 1 0 280.343 3.254 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1cccc(N)c1 ZINC001254542119 806446419 /nfs/dbraw/zinc/44/64/19/806446419.db2.gz MBVBCQLOFYMEFB-STQMWFEESA-N 1 0 299.374 3.459 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(F)C1 ZINC001254553778 806448967 /nfs/dbraw/zinc/44/89/67/806448967.db2.gz YXXCTCVPKRZBLI-SWLSCSKDSA-N 1 0 280.343 3.350 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565351 806451507 /nfs/dbraw/zinc/45/15/07/806451507.db2.gz OPRNKJMWVKGKRU-DZGCQCFKSA-N 1 0 292.379 3.025 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562419 806451826 /nfs/dbraw/zinc/45/18/26/806451826.db2.gz MFHTYBQNZZPVPW-JSGCOSHPSA-N 1 0 262.353 3.400 20 5 CGBDRO Cc1ccccc1CC[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254568888 806453089 /nfs/dbraw/zinc/45/30/89/806453089.db2.gz VSASMIRSMDPIMI-QGZVFWFLSA-N 1 0 296.370 3.203 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccncc1 ZINC001254574852 806454146 /nfs/dbraw/zinc/45/41/46/806454146.db2.gz LMJXHVXQKDZSJF-WBVHZDCISA-N 1 0 297.358 3.198 20 5 CGBDRO CC(C)CC[C@@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576322 806454205 /nfs/dbraw/zinc/45/42/05/806454205.db2.gz VNKHWIWPQCKFEL-IUODEOHRSA-N 1 0 276.380 3.476 20 5 CGBDRO CC1(C)CC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254588392 806456076 /nfs/dbraw/zinc/45/60/76/806456076.db2.gz FGDKSOIYPVQSJT-CQSZACIVSA-N 1 0 274.364 3.088 20 5 CGBDRO CC1(C)CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587084 806456259 /nfs/dbraw/zinc/45/62/59/806456259.db2.gz VCBUXMBDICOPLH-KBPBESRZSA-N 1 0 274.364 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@@H+]1CCCC3(CCC3)C1)C2 ZINC001254610593 806461567 /nfs/dbraw/zinc/46/15/67/806461567.db2.gz LLPDRGJFBSQYRU-INIZCTEOSA-N 1 0 286.375 3.328 20 5 CGBDRO C[C@@H]1C[C@@H](CNc2cc3ccccc3c([N+](=O)[O-])c2)C[NH2+]1 ZINC001162563249 806619229 /nfs/dbraw/zinc/61/92/29/806619229.db2.gz REUPSRDYDHAPLO-VXGBXAGGSA-N 1 0 285.347 3.158 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000036785316 798850825 /nfs/dbraw/zinc/85/08/25/798850825.db2.gz LUDZIMRBXOTAMR-VIFPVBQESA-N 1 0 268.744 3.479 20 5 CGBDRO COc1ccc(C[NH2+]C2CCCCCC2)cc1[N+](=O)[O-] ZINC000036963084 798852710 /nfs/dbraw/zinc/85/27/10/798852710.db2.gz CLZARBLSJFBBTG-UHFFFAOYSA-N 1 0 278.352 3.416 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000688903207 799757420 /nfs/dbraw/zinc/75/74/20/799757420.db2.gz VPTQGYKEIWDYAQ-MFKMUULPSA-N 1 0 298.770 3.295 20 5 CGBDRO CS[C@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701952941 799899682 /nfs/dbraw/zinc/89/96/82/799899682.db2.gz XVISNHCRTNVPML-RYUDHWBXSA-N 1 0 286.784 3.232 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@@H]2CCSC2)cc1[N+](=O)[O-] ZINC000704813892 799941524 /nfs/dbraw/zinc/94/15/24/799941524.db2.gz ITJMAKDISHUDOR-GFCCVEGCSA-N 1 0 280.393 3.136 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000707144908 799972803 /nfs/dbraw/zinc/97/28/03/799972803.db2.gz OERXELXABGKZPD-AOOOYVTPSA-N 1 0 252.289 3.107 20 5 CGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000707697913 799977563 /nfs/dbraw/zinc/97/75/63/799977563.db2.gz UDQCNYXDXZSZRK-NWDGAFQWSA-N 1 0 298.383 3.450 20 5 CGBDRO CC[C@H](C[C@H](C)O)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000716896599 800184959 /nfs/dbraw/zinc/18/49/59/800184959.db2.gz WOQUDYMRHVROSE-LNSITVRQSA-N 1 0 280.368 3.185 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1(C2CC2)CCC1 ZINC000717851099 800206039 /nfs/dbraw/zinc/20/60/39/800206039.db2.gz NSIQBXYGFHPDHQ-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO CCc1cc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000765994729 800383693 /nfs/dbraw/zinc/38/36/93/800383693.db2.gz RNKNPCDTPZPYGP-LLVKDONJSA-N 1 0 288.351 3.040 20 5 CGBDRO C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc(Cl)ccc3[N+](=O)[O-])[C@@H]2C1 ZINC001164378789 806943028 /nfs/dbraw/zinc/94/30/28/806943028.db2.gz BFRCUBARBMLJQG-MVWJERBFSA-N 1 0 295.770 3.000 20 5 CGBDRO [NH3+]Cc1cnccc1-c1cnc2c(ccc3cccnc32)c1 ZINC001245563069 803815374 /nfs/dbraw/zinc/81/53/74/803815374.db2.gz YBQCCPPSFLJNMC-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO C[N@@H+]1CCC[C@H](CCNc2cc(F)cc(F)c2[N+](=O)[O-])C1 ZINC001165279402 806986770 /nfs/dbraw/zinc/98/67/70/806986770.db2.gz URHMGQZZWDQTCY-SNVBAGLBSA-N 1 0 299.321 3.017 20 5 CGBDRO C[NH2+]Cc1cccc(Nc2nccc(Cl)c2[N+](=O)[O-])c1 ZINC001167033300 807132376 /nfs/dbraw/zinc/13/23/76/807132376.db2.gz UGOWYFXVGKNNSP-UHFFFAOYSA-N 1 0 292.726 3.106 20 5 CGBDRO CC1(Nc2cc3ccccc3c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC001168189511 807340992 /nfs/dbraw/zinc/34/09/92/807340992.db2.gz UBQNQKIZWHUGMT-UHFFFAOYSA-N 1 0 285.347 3.302 20 5 CGBDRO C[C@H]([NH3+])c1ccc2c(ccn2[C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168961599 807541432 /nfs/dbraw/zinc/54/14/32/807541432.db2.gz JAXJSJOKQAMDOR-HUBLWGQQSA-N 1 0 287.363 3.279 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C(F)F)C1 ZINC001168961865 807541846 /nfs/dbraw/zinc/54/18/46/807541846.db2.gz KKGLFUHJPPBQDS-JQWIXIFHSA-N 1 0 284.306 3.159 20 5 CGBDRO [NH3+]CCc1cnn(-c2nc3ccccc3c3ccccc32)c1 ZINC001168955196 807541959 /nfs/dbraw/zinc/54/19/59/807541959.db2.gz SQGSPWCRTSDYBE-UHFFFAOYSA-N 1 0 288.354 3.075 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168965931 807542388 /nfs/dbraw/zinc/54/23/88/807542388.db2.gz DOLASJBRKAKHTE-HOCLYGCPSA-N 1 0 276.380 3.345 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(F)F)cc2)C1 ZINC001168963934 807543028 /nfs/dbraw/zinc/54/30/28/807543028.db2.gz QQNWLYOMOASOEU-AAEUAGOBSA-N 1 0 284.306 3.159 20 5 CGBDRO CCCCCC(C)(C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978036 807545717 /nfs/dbraw/zinc/54/57/17/807545717.db2.gz NWGZVFPZBVCYGY-STQMWFEESA-N 1 0 256.390 3.380 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C)o1 ZINC001168984438 807546869 /nfs/dbraw/zinc/54/68/69/807546869.db2.gz NXPVRCKJYUFGGJ-FRRDWIJNSA-N 1 0 266.341 3.074 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1C ZINC001168985355 807547192 /nfs/dbraw/zinc/54/71/92/807547192.db2.gz DPMNINNTZRZNPR-IIAWOOMASA-N 1 0 276.380 3.481 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3c(F)cccc32)C1 ZINC001168990827 807547962 /nfs/dbraw/zinc/54/79/62/807547962.db2.gz DTWLKLISDNAFIG-HSMVNMDESA-N 1 0 292.354 3.238 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1c(F)cccc1F ZINC001169004056 807550378 /nfs/dbraw/zinc/55/03/78/807550378.db2.gz PKJJLGXVHWHRRL-GYSYKLTISA-N 1 0 298.333 3.451 20 5 CGBDRO C[C@@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169008656 807551580 /nfs/dbraw/zinc/55/15/80/807551580.db2.gz SUAPLHGCYNDSJJ-UMVBOHGHSA-N 1 0 274.364 3.051 20 5 CGBDRO CCCCC1CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169010732 807551957 /nfs/dbraw/zinc/55/19/57/807551957.db2.gz FXRAUOLAEXQRAK-GJZGRUSLSA-N 1 0 268.401 3.334 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)C1 ZINC001169007644 807552000 /nfs/dbraw/zinc/55/20/00/807552000.db2.gz OWLCFCMBTQEKOW-DDHJBXDOSA-N 1 0 294.317 3.143 20 5 CGBDRO Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)CC2 ZINC001169006788 807552102 /nfs/dbraw/zinc/55/21/02/807552102.db2.gz YZVCCTINBYLYPD-XPKDYRNWSA-N 1 0 274.364 3.017 20 5 CGBDRO CCc1ccc(C[N@H+](C)[C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169035149 807555304 /nfs/dbraw/zinc/55/53/04/807555304.db2.gz AQKGONSJGDPHFB-CVEARBPZSA-N 1 0 276.380 3.126 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2ccccc2F)C1 ZINC001169035748 807555798 /nfs/dbraw/zinc/55/57/98/807555798.db2.gz LNXHEVSQAHPFLL-XJKCOSOUSA-N 1 0 292.354 3.408 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCc3cccc(Cl)c3C2)C1 ZINC001169036513 807556060 /nfs/dbraw/zinc/55/60/60/807556060.db2.gz GFARUBUXSKVDTO-YPMHNXCESA-N 1 0 294.782 3.144 20 5 CGBDRO CC[N@H+](Cc1ccc(F)cc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169040147 807557911 /nfs/dbraw/zinc/55/79/11/807557911.db2.gz YGQHAJYCZUMDRU-HIFRSBDPSA-N 1 0 280.343 3.093 20 5 CGBDRO CCC1([NH2+][C@H](C)Cc2ccc(OC)cc2[N+](=O)[O-])CCC1 ZINC001170323474 807826195 /nfs/dbraw/zinc/82/61/95/807826195.db2.gz LHASKWXDFSWVMZ-GFCCVEGCSA-N 1 0 292.379 3.457 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC001170324537 807826462 /nfs/dbraw/zinc/82/64/62/807826462.db2.gz QRGXFCLMZBITJQ-TZMCWYRMSA-N 1 0 290.363 3.233 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@H]1CCOC[C@H]1C ZINC001170817730 807914481 /nfs/dbraw/zinc/91/44/81/807914481.db2.gz JQJGFMQMZVOJBC-ZBFHGGJFSA-N 1 0 277.432 3.120 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1NC[C@H]1CCCC[NH2+]1 ZINC001171334271 808029622 /nfs/dbraw/zinc/02/96/22/808029622.db2.gz LAFLNTVLXPQNQW-CYBMUJFWSA-N 1 0 277.368 3.074 20 5 CGBDRO c1cnc2c(c1)cc(NC[C@@H]1CCCC[NH2+]1)c1cccnc12 ZINC001171333773 808029830 /nfs/dbraw/zinc/02/98/30/808029830.db2.gz FHRUIBRILPFRET-AWEZNQCLSA-N 1 0 292.386 3.337 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CC13CCC3)CC2 ZINC001172904190 808476026 /nfs/dbraw/zinc/47/60/26/808476026.db2.gz MYFDMAMJCVKOBV-HOCLYGCPSA-N 1 0 286.375 3.374 20 5 CGBDRO CC[C@@H](C)[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172901055 808476345 /nfs/dbraw/zinc/47/63/45/808476345.db2.gz IZISUYYMINBOIT-BXUZGUMPSA-N 1 0 262.353 3.230 20 5 CGBDRO Cc1ccnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173216831 808538976 /nfs/dbraw/zinc/53/89/76/808538976.db2.gz NEYWSMCAPCIVBH-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC=CCC1 ZINC001173218176 808540368 /nfs/dbraw/zinc/54/03/68/808540368.db2.gz BXKOFIVHZGWLGR-TZMCWYRMSA-N 1 0 260.337 3.224 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227569 808541633 /nfs/dbraw/zinc/54/16/33/808541633.db2.gz QWQODLHCSXYPBG-XJKSGUPXSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001173225297 808541661 /nfs/dbraw/zinc/54/16/61/808541661.db2.gz JEZSWQUQDHKBBB-SNPRPXQTSA-N 1 0 274.364 3.258 20 5 CGBDRO Cc1ccnc(CC[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)c1 ZINC001173231618 808543352 /nfs/dbraw/zinc/54/33/52/808543352.db2.gz BHVDXDMIPSUTLZ-CQSZACIVSA-N 1 0 299.374 3.062 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1cncs1 ZINC001173230218 808543413 /nfs/dbraw/zinc/54/34/13/808543413.db2.gz CVUYJOLYKRQVMX-NSHDSACASA-N 1 0 291.376 3.114 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCCO1 ZINC001184089612 810177313 /nfs/dbraw/zinc/17/73/13/810177313.db2.gz RWMXQDUCRHDIDU-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1c(F)cccc1[N+](=O)[O-] ZINC001185018158 810229793 /nfs/dbraw/zinc/22/97/93/810229793.db2.gz WVAGFGAHOJGACB-RYUDHWBXSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cc(N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC001186871940 810367090 /nfs/dbraw/zinc/36/70/90/810367090.db2.gz DYCVVUAUFGYWNQ-YPMHNXCESA-N 1 0 295.408 3.394 20 5 CGBDRO CCC1(CC)[C@@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C[C@@H]1OC ZINC001194091990 811014076 /nfs/dbraw/zinc/01/40/76/811014076.db2.gz NSVOEQWUTRZSIB-GJZGRUSLSA-N 1 0 292.379 3.278 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(Nc2cc[nH+]cc2)c1Cl ZINC001215580597 815542309 /nfs/dbraw/zinc/54/23/09/815542309.db2.gz FDBBESKVYRPWQD-UHFFFAOYSA-N 1 0 284.102 3.462 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217911292 815998709 /nfs/dbraw/zinc/99/87/09/815998709.db2.gz XMRUXQSRZZAWDC-SGTLLEGYSA-N 1 0 278.355 3.265 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001217992640 816039217 /nfs/dbraw/zinc/03/92/17/816039217.db2.gz SMPGIDPYTTWWAP-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H](Oc1ccc(Cl)cc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC001218004365 816046736 /nfs/dbraw/zinc/04/67/36/816046736.db2.gz FMCDKMYNWZFHJF-VIFPVBQESA-N 1 0 284.743 3.015 20 5 CGBDRO Oc1c2ccccc2c(O[C@H]2C[NH2+]C[C@@H]2F)c2ccccc12 ZINC001218018741 816056393 /nfs/dbraw/zinc/05/63/93/816056393.db2.gz DUSLFCSWLSBUNM-HOTGVXAUSA-N 1 0 297.329 3.387 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218043064 816070137 /nfs/dbraw/zinc/07/01/37/816070137.db2.gz CDQQIZDBPCQYNO-SJKOYZFVSA-N 1 0 293.370 3.160 20 5 CGBDRO c1ccc2cc3cc(O[C@H]4C[NH2+]CCOC4)ccc3cc2c1 ZINC001218044041 816071556 /nfs/dbraw/zinc/07/15/56/816071556.db2.gz LXXXUMUGUGMWMG-IBGZPJMESA-N 1 0 293.366 3.360 20 5 CGBDRO F[C@H]1C[NH2+]CC[C@@H]1Oc1cccc2cc3ccccc3nc21 ZINC001218067072 816084790 /nfs/dbraw/zinc/08/47/90/816084790.db2.gz QNFZYGAISXYODC-HOCLYGCPSA-N 1 0 296.345 3.467 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1C[C@@H]2C[NH2+]C[C@H]12 ZINC001218333139 816170996 /nfs/dbraw/zinc/17/09/96/816170996.db2.gz XZSIBCKRWJPTBL-JEBQAFNWSA-N 1 0 290.366 3.375 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CC[NH2+]C(C)(C)C1 ZINC001218479418 816235657 /nfs/dbraw/zinc/23/56/57/816235657.db2.gz VNDBNTDFMZQYGY-GFCCVEGCSA-N 1 0 278.352 3.121 20 5 CGBDRO CC[NH+]1CCC(O[C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001223429618 816628756 /nfs/dbraw/zinc/62/87/56/816628756.db2.gz MJDYJBDLKORNPV-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO CC[NH+]1CCC(O[C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC001223429616 816628883 /nfs/dbraw/zinc/62/88/83/816628883.db2.gz MJDYJBDLKORNPV-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](O[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020675 816721922 /nfs/dbraw/zinc/72/19/22/816721922.db2.gz ZNUHTOIEKQJYHW-DANNLKNASA-N 1 0 290.363 3.298 20 5 CGBDRO CC[N@@H+]1CCC[C@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224025474 816723016 /nfs/dbraw/zinc/72/30/16/816723016.db2.gz MPSRCTMIOSSSHV-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO C[N+](C)(C)CCCO[C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC001224624390 816835925 /nfs/dbraw/zinc/83/59/25/816835925.db2.gz VWCSHMRMZDLHHC-HRCADAONSA-N 1 0 254.438 3.458 20 5 CGBDRO C[C@@H](OCCCC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC001224990948 816924000 /nfs/dbraw/zinc/92/40/00/816924000.db2.gz JGMNZJMYMJAITA-GFCCVEGCSA-N 1 0 266.341 3.014 20 5 CGBDRO Cc1cc(Br)ccc1O[C@H](C)C[N+](C)(C)C ZINC001225595812 817105712 /nfs/dbraw/zinc/10/57/12/817105712.db2.gz XHVUYFPHHJRRER-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)cc(Br)c1 ZINC001225718898 817155180 /nfs/dbraw/zinc/15/51/80/817155180.db2.gz WASLAAOMWNYWSI-VIFPVBQESA-N 1 0 291.184 3.062 20 5 CGBDRO CC(=O)c1ccc(O[C@H](C)C[N+](C)(C)C)c(Cl)c1 ZINC001226232403 817304771 /nfs/dbraw/zinc/30/47/71/817304771.db2.gz GGPFELXBUSUSNA-SNVBAGLBSA-N 1 0 270.780 3.016 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2ccc(Cl)cc2n1 ZINC001226861533 817487034 /nfs/dbraw/zinc/48/70/34/817487034.db2.gz DMQNUIOAPWOSRV-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001226971518 817521704 /nfs/dbraw/zinc/52/17/04/817521704.db2.gz PELOOZLEDDREMN-ZDUSSCGKSA-N 1 0 278.352 3.155 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2nc3ccccc3c3ccccc32)C1 ZINC001226993857 817528356 /nfs/dbraw/zinc/52/83/56/817528356.db2.gz ZKXYCJHSWBCKCJ-CYBMUJFWSA-N 1 0 278.355 3.471 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1csc(C(F)(F)F)c1 ZINC001227324250 817626425 /nfs/dbraw/zinc/62/64/25/817626425.db2.gz NBEGBVBPLUNNFB-MRVPVSSYSA-N 1 0 268.324 3.240 20 5 CGBDRO Cc1cc(OC(F)(F)F)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001227860061 817738369 /nfs/dbraw/zinc/73/83/69/817738369.db2.gz SBYZEWHNUSMJCK-NSHDSACASA-N 1 0 292.321 3.367 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(F)cc(F)c1Cl ZINC001228432114 817904293 /nfs/dbraw/zinc/90/42/93/817904293.db2.gz DOEDKACWWTVGKS-MRVPVSSYSA-N 1 0 264.723 3.092 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2ccc3ccc4cccnc4c3n2)C1 ZINC001232218873 818282699 /nfs/dbraw/zinc/28/26/99/818282699.db2.gz NQOFWOVHSQIWOT-MRXNPFEDSA-N 1 0 293.370 3.004 20 5 CGBDRO CSc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1 ZINC001234243848 818815229 /nfs/dbraw/zinc/81/52/29/818815229.db2.gz WPAXOFHYZSEUCM-JTQLQIEISA-N 1 0 258.382 3.021 20 5 CGBDRO Cc1cc(O[C@@H](C)C[N+](C)(C)C)ccc1OC(C)C ZINC001234285172 818826691 /nfs/dbraw/zinc/82/66/91/818826691.db2.gz FPKUBHQUIJAWFM-AWEZNQCLSA-N 1 0 266.405 3.256 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccsc1[N+](=O)[O-] ZINC001458129008 937451805 /nfs/dbraw/zinc/45/18/05/937451805.db2.gz VBBBHCWXIFNTQS-GHMZBOCLSA-N 1 0 283.397 3.189 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001458428277 937462130 /nfs/dbraw/zinc/46/21/30/937462130.db2.gz IPVSJDJMVIUENV-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001460930005 937554225 /nfs/dbraw/zinc/55/42/25/937554225.db2.gz FPPDQXKEQWYLEP-CZUORRHYSA-N 1 0 290.363 3.308 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2ccc(/C=C/[N+](=O)[O-])cc2)CC1 ZINC001229113883 932097746 /nfs/dbraw/zinc/09/77/46/932097746.db2.gz GNQKDYRHZPTAFO-KPKJPENVSA-N 1 0 290.363 3.186 20 5 CGBDRO CC[NH+](CC)CC[C@@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001461834616 937600252 /nfs/dbraw/zinc/60/02/52/937600252.db2.gz VMIYOYVOEJBQQW-CYBMUJFWSA-N 1 0 293.411 3.113 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C1 ZINC001308629178 933146927 /nfs/dbraw/zinc/14/69/27/933146927.db2.gz MCFDDDYJIHOOKK-VIFPVBQESA-N 1 0 288.269 3.455 20 5 CGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2csc([N+](=O)[O-])c2)C1 ZINC001318854775 933786814 /nfs/dbraw/zinc/78/68/14/933786814.db2.gz OKYYCKGTFULXJF-GHMZBOCLSA-N 1 0 286.422 3.372 20 5 CGBDRO CC1([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC001320094682 933999526 /nfs/dbraw/zinc/99/95/26/933999526.db2.gz MHKHSGXVXCFXJO-TZMCWYRMSA-N 1 0 274.364 3.448 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C/C=C/C1CC1)C1CC1 ZINC001324240404 934475391 /nfs/dbraw/zinc/47/53/91/934475391.db2.gz WFGOQXPOCUMDEC-CWDCEQMOSA-N 1 0 286.375 3.472 20 5 CGBDRO C[N@H+](CCCc1cccnc1)CCc1ccccc1[N+](=O)[O-] ZINC000930438913 958802590 /nfs/dbraw/zinc/80/25/90/958802590.db2.gz FPFFTTCHIQJHTJ-UHFFFAOYSA-N 1 0 299.374 3.097 20 5 CGBDRO Cc1ccc(NC[C@@H]2[N@H+](C)CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001559184141 960605433 /nfs/dbraw/zinc/60/54/33/960605433.db2.gz WOEUWZOKAOUKSS-HNNXBMFYSA-N 1 0 291.395 3.436 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000273083028 192038494 /nfs/dbraw/zinc/03/84/94/192038494.db2.gz QYTJMEYNRPZLPN-KBPBESRZSA-N 1 0 292.379 3.198 20 5 CGBDRO CC(C)(C)[C@H]1CCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000269651727 190527804 /nfs/dbraw/zinc/52/78/04/190527804.db2.gz MOEZQFIUOHDSCS-HUUCEWRRSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCO1 ZINC000449247780 529430431 /nfs/dbraw/zinc/43/04/31/529430431.db2.gz HFNYCMANBYNXSG-WCQYABFASA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H](c1cccnc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127842329 187336499 /nfs/dbraw/zinc/33/64/99/187336499.db2.gz TVZBVHOPOIKTSX-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO CCc1cnccc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000358504847 529677677 /nfs/dbraw/zinc/67/76/77/529677677.db2.gz IXKBMEDTEKTBCW-GFCCVEGCSA-N 1 0 285.347 3.403 20 5 CGBDRO CC1(C)SC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000338476610 214611169 /nfs/dbraw/zinc/61/11/69/214611169.db2.gz GKFUVAQICIUUSV-NSHDSACASA-N 1 0 286.784 3.232 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@]2(C)CCCS2)cc1[N+](=O)[O-] ZINC000126505802 187244734 /nfs/dbraw/zinc/24/47/34/187244734.db2.gz HILMPDUWMFRJHK-AWEZNQCLSA-N 1 0 280.393 3.279 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH+]1CCC2(CC2(F)F)CC1 ZINC000593071831 347035982 /nfs/dbraw/zinc/03/59/82/347035982.db2.gz CJKVOJAROBOZGT-UHFFFAOYSA-N 1 0 282.290 3.216 20 5 CGBDRO C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCCOC1 ZINC000116279202 529985274 /nfs/dbraw/zinc/98/52/74/529985274.db2.gz DFDULCIDEYGDHH-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO C[N@@H+]1CCC[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352247 345081603 /nfs/dbraw/zinc/08/16/03/345081603.db2.gz PCEFZQDREKVDID-JTQLQIEISA-N 1 0 283.759 3.002 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059371957 345207625 /nfs/dbraw/zinc/20/76/25/345207625.db2.gz HZDTWYVZTFAXEF-STQMWFEESA-N 1 0 262.353 3.115 20 5 CGBDRO Cc1occc1C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000067217963 345316948 /nfs/dbraw/zinc/31/69/48/345316948.db2.gz DIDPEVUEHTZEDH-UHFFFAOYSA-N 1 0 260.293 3.094 20 5 CGBDRO CC(C)CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000065533492 345273722 /nfs/dbraw/zinc/27/37/22/345273722.db2.gz HXIOXTZNEFQXLK-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000065586781 345274803 /nfs/dbraw/zinc/27/48/03/345274803.db2.gz ZZKNJZWZJPBHSC-NEPJUHHUSA-N 1 0 295.358 3.266 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])s1)c1ccccc1 ZINC000066410708 345292600 /nfs/dbraw/zinc/29/26/00/345292600.db2.gz VWZQPRAWRGEVME-GFCCVEGCSA-N 1 0 291.376 3.371 20 5 CGBDRO CC(C)C[C@H](CNc1ccsc1[N+](=O)[O-])[NH+](C)C ZINC000067911593 345337366 /nfs/dbraw/zinc/33/73/66/345337366.db2.gz HMACPFRBWSOKHF-SNVBAGLBSA-N 1 0 271.386 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1 ZINC000075768527 232175472 /nfs/dbraw/zinc/17/54/72/232175472.db2.gz NIBZRIXZXZSROZ-ZFWWWQNUSA-N 1 0 260.337 3.359 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(C)C ZINC000076794150 345550369 /nfs/dbraw/zinc/55/03/69/345550369.db2.gz HNFFPVBPMDKBTH-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000178431675 232390312 /nfs/dbraw/zinc/39/03/12/232390312.db2.gz ZRQPUNZXVBKVKS-TZMCWYRMSA-N 1 0 294.395 3.351 20 5 CGBDRO COCC1(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000292164566 346427191 /nfs/dbraw/zinc/42/71/91/346427191.db2.gz OXMWCPXAOREBDB-UHFFFAOYSA-N 1 0 292.379 3.236 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000312006138 346475130 /nfs/dbraw/zinc/47/51/30/346475130.db2.gz QYTZKWPFPQDMOX-JTQLQIEISA-N 1 0 285.775 3.389 20 5 CGBDRO COC[C@@H](CC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000593613872 347095409 /nfs/dbraw/zinc/09/54/09/347095409.db2.gz VNQRICCSADIYFR-CYBMUJFWSA-N 1 0 280.368 3.136 20 5 CGBDRO CC[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000325075018 346491187 /nfs/dbraw/zinc/49/11/87/346491187.db2.gz DIIQSAOKCWWWAX-HNNXBMFYSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000403435605 346596748 /nfs/dbraw/zinc/59/67/48/346596748.db2.gz YWTDOVAPCDVSKP-MGPQQGTHSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(CCCO)CC1 ZINC000273031426 232551091 /nfs/dbraw/zinc/55/10/91/232551091.db2.gz UKPCKZYSPOVZRI-ZDUSSCGKSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@@H](c1ccncc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000586773242 346733888 /nfs/dbraw/zinc/73/38/88/346733888.db2.gz GAJPNRUKNDWQDM-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CO)C1CCCC1 ZINC000589350909 346794787 /nfs/dbraw/zinc/79/47/87/346794787.db2.gz BQXFTRHYUVJUAO-MLGOLLRUSA-N 1 0 292.379 3.105 20 5 CGBDRO CC1(C)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000339257169 215045330 /nfs/dbraw/zinc/04/53/30/215045330.db2.gz ZTXNFCDIKUMBEC-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594045278 347144476 /nfs/dbraw/zinc/14/44/76/347144476.db2.gz UWPHOEGBRPIWDI-LSDHHAIUSA-N 1 0 296.342 3.171 20 5 CGBDRO CC(C)C1([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000594506112 347181680 /nfs/dbraw/zinc/18/16/80/347181680.db2.gz MRFBREPMWQUAMZ-CYBMUJFWSA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594515847 347185584 /nfs/dbraw/zinc/18/55/84/347185584.db2.gz SXUQLUHXYUKMQB-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccccn1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594515844 347185953 /nfs/dbraw/zinc/18/59/53/347185953.db2.gz SXUQLUHXYUKMQB-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594522631 347189196 /nfs/dbraw/zinc/18/91/96/347189196.db2.gz LYUAPNIDPADKTM-OCCSQVGLSA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2=CCCC2)c(Cl)c1 ZINC000594989071 347250230 /nfs/dbraw/zinc/25/02/30/347250230.db2.gz GGRMRUBMYLRMMQ-UHFFFAOYSA-N 1 0 266.728 3.448 20 5 CGBDRO CC1(C)OCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594995245 347251785 /nfs/dbraw/zinc/25/17/85/347251785.db2.gz LNLJFSSNNZYVOD-HZRUHFOJSA-N 1 0 290.363 3.013 20 5 CGBDRO CCc1ccc(C)[nH+]c1NCc1cccc([N+](=O)[O-])c1 ZINC000594742035 347215653 /nfs/dbraw/zinc/21/56/53/347215653.db2.gz JDFXTFVUVUMZDY-UHFFFAOYSA-N 1 0 271.320 3.473 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594930128 347232318 /nfs/dbraw/zinc/23/23/18/347232318.db2.gz SHKFFQQUUHKVKN-GOEBONIOSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000595109978 347284915 /nfs/dbraw/zinc/28/49/15/347284915.db2.gz XZOKOWFKDBGMPT-QWHCGFSZSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCOC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000595106725 347285156 /nfs/dbraw/zinc/28/51/56/347285156.db2.gz KDLCYZHCLQBUHS-AAEUAGOBSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595297251 347288306 /nfs/dbraw/zinc/28/83/06/347288306.db2.gz KZJRHPJKQUFNKI-UHTWSYAYSA-N 1 0 293.367 3.292 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000595327980 347291744 /nfs/dbraw/zinc/29/17/44/347291744.db2.gz SWATYHCNEJFCJZ-SMDDNHRTSA-N 1 0 278.327 3.498 20 5 CGBDRO CC(C)[NH+](Cc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000595412860 347299425 /nfs/dbraw/zinc/29/94/25/347299425.db2.gz UETKMVFGOUEIEL-UHFFFAOYSA-N 1 0 254.305 3.353 20 5 CGBDRO C[C@H]([NH2+]C1CC(CF)(CF)C1)c1cccc([N+](=O)[O-])c1 ZINC000595005087 347254516 /nfs/dbraw/zinc/25/45/16/347254516.db2.gz CMIIJVIOAWGBMZ-JTQLQIEISA-N 1 0 284.306 3.333 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595011408 347256493 /nfs/dbraw/zinc/25/64/93/347256493.db2.gz DQSJBPLAEVKGFH-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCC1CC1 ZINC000595020183 347259638 /nfs/dbraw/zinc/25/96/38/347259638.db2.gz VOFZBJOCVXMNCT-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595032745 347263910 /nfs/dbraw/zinc/26/39/10/347263910.db2.gz MDMLATQYVAJWNS-NSHDSACASA-N 1 0 296.367 3.069 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC)OC ZINC000595039680 347266277 /nfs/dbraw/zinc/26/62/77/347266277.db2.gz AFJGMJXAKMVSHO-IAQYHMDHSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595073531 347277330 /nfs/dbraw/zinc/27/73/30/347277330.db2.gz MWKSLDAUXYRYJD-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094908 347281863 /nfs/dbraw/zinc/28/18/63/347281863.db2.gz OGKWVOKVKFENEF-MLGOLLRUSA-N 1 0 292.379 3.451 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC1=CCCC1 ZINC000595097136 347282517 /nfs/dbraw/zinc/28/25/17/347282517.db2.gz PXVGOHHZGGEUTB-NSHDSACASA-N 1 0 276.336 3.364 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595427446 347302086 /nfs/dbraw/zinc/30/20/86/347302086.db2.gz YESGVHQNXOFDBZ-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCC[C@H](C)C2)c1[N+](=O)[O-] ZINC000595522110 347315290 /nfs/dbraw/zinc/31/52/90/347315290.db2.gz ILWWRDWDLOJWOC-JBLDHEPKSA-N 1 0 281.356 3.196 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)ccc1[N+](=O)[O-] ZINC000596307350 347413834 /nfs/dbraw/zinc/41/38/34/347413834.db2.gz KZRQXFOXAKIXCW-ZDUSSCGKSA-N 1 0 291.395 3.436 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595858243 347368280 /nfs/dbraw/zinc/36/82/80/347368280.db2.gz UUJUQVHWCKJRTB-FTNCPSPGSA-N 1 0 278.327 3.497 20 5 CGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCCCC1 ZINC000595910603 347371545 /nfs/dbraw/zinc/37/15/45/347371545.db2.gz KTEOKLWWYSEWTR-UHFFFAOYSA-N 1 0 296.342 3.173 20 5 CGBDRO Cc1ccc(OCc2cccc3c2CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC000596070563 347379676 /nfs/dbraw/zinc/37/96/76/347379676.db2.gz ROZUHOQAWPXJEC-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000128516917 187375428 /nfs/dbraw/zinc/37/54/28/187375428.db2.gz DAGWZMWGEULSLU-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO O=[N+]([O-])c1ccsc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000596571551 347480995 /nfs/dbraw/zinc/48/09/95/347480995.db2.gz VSUAUUURPYOSAG-GFCCVEGCSA-N 1 0 295.408 3.190 20 5 CGBDRO CO[C@H]1C[C@@H](C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000599018339 347706751 /nfs/dbraw/zinc/70/67/51/347706751.db2.gz VUPIIEBPWKLMMR-KKSJZJQTSA-N 1 0 290.363 3.013 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1cccnc1C ZINC000599072808 347714352 /nfs/dbraw/zinc/71/43/52/347714352.db2.gz IXVLDSSMNITHBP-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ncccc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599073032 347714538 /nfs/dbraw/zinc/71/45/38/347714538.db2.gz KDGDHANCNYDURK-ZDUSSCGKSA-N 1 0 299.374 3.409 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1C[C@@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000599092684 347716212 /nfs/dbraw/zinc/71/62/12/347716212.db2.gz RXBWUPNXQBZNOF-BYCMXARLSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1ccccc1[N+](=O)[O-] ZINC000599671850 347763452 /nfs/dbraw/zinc/76/34/52/347763452.db2.gz SUMKMFLCRQWUJR-ZFWWWQNUSA-N 1 0 260.337 3.359 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000599139834 347720699 /nfs/dbraw/zinc/72/06/99/347720699.db2.gz QTAOHRVNAKUWNM-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CC(Cc3cccs3)C2)cc1 ZINC000600214895 347794582 /nfs/dbraw/zinc/79/45/82/347794582.db2.gz GKAZECUXANBCSA-UHFFFAOYSA-N 1 0 288.372 3.331 20 5 CGBDRO [NH3+]Cc1cccc2c1N(Cc1ccc([N+](=O)[O-])cc1)CCC2 ZINC000600722174 347830328 /nfs/dbraw/zinc/83/03/28/347830328.db2.gz GSXYFQPKGSCXCH-UHFFFAOYSA-N 1 0 297.358 3.006 20 5 CGBDRO C[C@H]1Cc2ccc(-c3ccc(F)cc3[N+](=O)[O-])cc2C[NH2+]1 ZINC000600790525 347836778 /nfs/dbraw/zinc/83/67/78/347836778.db2.gz RVKZBZFZCNBJLO-JTQLQIEISA-N 1 0 286.306 3.435 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)c1 ZINC000601135218 347873296 /nfs/dbraw/zinc/87/32/96/347873296.db2.gz CEAILFRKZSHZOY-SJORKVTESA-N 1 0 298.342 3.215 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000601289816 347889368 /nfs/dbraw/zinc/88/93/68/347889368.db2.gz TWPJKSYWGTVSJU-UKRRQHHQSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000601299929 347889971 /nfs/dbraw/zinc/88/99/71/347889971.db2.gz WCTAFRCCTAQCDT-GASQSECBSA-N 1 0 278.352 3.120 20 5 CGBDRO C[NH+](C)Cc1ccc(NCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000602485406 347967869 /nfs/dbraw/zinc/96/78/69/347967869.db2.gz SETVLUVGKXUEMK-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602508977 347972218 /nfs/dbraw/zinc/97/22/18/347972218.db2.gz DGZBWQZGFBWULB-MNOVXSKESA-N 1 0 289.335 3.404 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3CCCC3)nc2c1 ZINC000602509712 347972546 /nfs/dbraw/zinc/97/25/46/347972546.db2.gz IPGNKYLSKJBWLA-UHFFFAOYSA-N 1 0 275.308 3.016 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]C1CC=CC1 ZINC000602566807 347984068 /nfs/dbraw/zinc/98/40/68/347984068.db2.gz BISOHUXAOBAMAY-UHFFFAOYSA-N 1 0 286.253 3.422 20 5 CGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000602578369 347986627 /nfs/dbraw/zinc/98/66/27/347986627.db2.gz DSXCRNCIVJNWFT-VIFPVBQESA-N 1 0 275.308 3.014 20 5 CGBDRO CC[C@H](CC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000602614826 347994918 /nfs/dbraw/zinc/99/49/18/347994918.db2.gz FHTODQRZVAMCNR-LLVKDONJSA-N 1 0 290.285 3.458 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3(F)CCC3)nc2c1 ZINC000602669122 348004840 /nfs/dbraw/zinc/00/48/40/348004840.db2.gz YBRWJPOFNUUFQE-UHFFFAOYSA-N 1 0 293.298 3.108 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CCC[C@H]2CCO2)cc1 ZINC000602560570 347982238 /nfs/dbraw/zinc/98/22/38/347982238.db2.gz NFVJGUVERSDERX-INIZCTEOSA-N 1 0 292.379 3.076 20 5 CGBDRO CC(C)C1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602563892 347982647 /nfs/dbraw/zinc/98/26/47/347982647.db2.gz PVCIUYZAWBJCEU-UHFFFAOYSA-N 1 0 289.335 3.262 20 5 CGBDRO CC(C)[C@H](C)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000603875024 348100724 /nfs/dbraw/zinc/10/07/24/348100724.db2.gz JDWNNTNDDWPPFE-LBPRGKRZSA-N 1 0 250.342 3.114 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000609145725 348337538 /nfs/dbraw/zinc/33/75/38/348337538.db2.gz USCGKTVDPOJBHL-ZDUSSCGKSA-N 1 0 264.300 3.108 20 5 CGBDRO Cc1ncccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000609440303 348343842 /nfs/dbraw/zinc/34/38/42/348343842.db2.gz DAUOLGDACIVBOD-NSHDSACASA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)Nc1ccc([N+](=O)[O-])s1 ZINC000609560589 348346756 /nfs/dbraw/zinc/34/67/56/348346756.db2.gz RJTRLPRIQVRCTM-GRYCIOLGSA-N 1 0 297.424 3.435 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000610215443 348367747 /nfs/dbraw/zinc/36/77/47/348367747.db2.gz SLACGJQKOSOMAA-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581877 348391180 /nfs/dbraw/zinc/39/11/80/348391180.db2.gz XASBEXPOIULWSN-UHFFFAOYSA-N 1 0 277.324 3.356 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000610710556 348398330 /nfs/dbraw/zinc/39/83/30/348398330.db2.gz FDOKPIYOOJCWOR-BETUJISGSA-N 1 0 278.352 3.237 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])s1)C(C)(C)C[NH+](C)C ZINC000610726138 348399533 /nfs/dbraw/zinc/39/95/33/348399533.db2.gz YHHTUGNTVJMFBG-SECBINFHSA-N 1 0 271.386 3.045 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCOC1 ZINC000610832269 348405015 /nfs/dbraw/zinc/40/50/15/348405015.db2.gz PGRUQFSYQWFDLY-IHRRRGAJSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(c3cccnc3)CC2)c1 ZINC000611258773 348431927 /nfs/dbraw/zinc/43/19/27/348431927.db2.gz LGRMTIRYCZTVOE-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO Cc1ccc(C[N@@H+](C)CCC(C)C)cc1[N+](=O)[O-] ZINC000611254196 348432040 /nfs/dbraw/zinc/43/20/40/348432040.db2.gz LWVFHMYDUATDHK-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000612516820 348524971 /nfs/dbraw/zinc/52/49/71/348524971.db2.gz QEMADZBWAMQGJP-GFCCVEGCSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1ccncc1[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612581364 348529331 /nfs/dbraw/zinc/52/93/31/348529331.db2.gz KVFIDFUSQHPCOG-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO C[NH+](C)CC1(CNc2ccsc2[N+](=O)[O-])CCCC1 ZINC000612666793 348538325 /nfs/dbraw/zinc/53/83/25/348538325.db2.gz KZKAHAREFVQQIK-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21)C(C)(C)O ZINC000618988407 349191881 /nfs/dbraw/zinc/19/18/81/349191881.db2.gz IQSOMPIURPQEOH-HZMBPMFUSA-N 1 0 292.379 3.066 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000119674475 186843897 /nfs/dbraw/zinc/84/38/97/186843897.db2.gz VPEDVKWMNAAQMC-BJJXKVORSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000132437079 187627856 /nfs/dbraw/zinc/62/78/56/187627856.db2.gz GRWQEWUURZYYNF-LBPRGKRZSA-N 1 0 294.399 3.221 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1nccs1 ZINC000157691400 188332617 /nfs/dbraw/zinc/33/26/17/188332617.db2.gz BWRKRTFLHMHZEW-LLVKDONJSA-N 1 0 291.376 3.287 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000157963405 188349716 /nfs/dbraw/zinc/34/97/16/188349716.db2.gz OYBCMMGIGZDIHJ-XFJVYGCCSA-N 1 0 290.363 3.203 20 5 CGBDRO Cn1ccc(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000158455311 188376597 /nfs/dbraw/zinc/37/65/97/188376597.db2.gz WCZQQBTUEXJOCM-INIZCTEOSA-N 1 0 299.374 3.044 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000158592383 188384455 /nfs/dbraw/zinc/38/44/55/188384455.db2.gz IEWCVHXXIDPKIF-ZDUSSCGKSA-N 1 0 287.363 3.044 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000537450318 288530296 /nfs/dbraw/zinc/53/02/96/288530296.db2.gz OIWNHKJWOIKUBJ-NSHDSACASA-N 1 0 260.337 3.496 20 5 CGBDRO C[C@@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccccc1[N+](=O)[O-] ZINC000271728609 191295641 /nfs/dbraw/zinc/29/56/41/191295641.db2.gz MOOMDJJVOCPHSY-ZIAGYGMSSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000412046819 235116923 /nfs/dbraw/zinc/11/69/23/235116923.db2.gz RQCKLKZPWPHQHF-SNVBAGLBSA-N 1 0 288.351 3.092 20 5 CGBDRO COCC[C@@H](C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000414195040 235360553 /nfs/dbraw/zinc/36/05/53/235360553.db2.gz IYYPBZQNTJHEHK-ZIAGYGMSSA-N 1 0 294.395 3.178 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000107829700 138358933 /nfs/dbraw/zinc/35/89/33/138358933.db2.gz FTMRZTHFYRGUOM-GHMZBOCLSA-N 1 0 295.770 3.287 20 5 CGBDRO CCOc1cc(NCCC[NH+](CC)CC)ccc1[N+](=O)[O-] ZINC000107039787 138356669 /nfs/dbraw/zinc/35/66/69/138356669.db2.gz SQCWXQLQTKDKMV-UHFFFAOYSA-N 1 0 295.383 3.137 20 5 CGBDRO CC[C@@H](NC[C@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127592025 138389666 /nfs/dbraw/zinc/38/96/66/138389666.db2.gz XUBBXWORLHUSKL-XJKSGUPXSA-N 1 0 293.411 3.366 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000128832987 138394979 /nfs/dbraw/zinc/39/49/79/138394979.db2.gz CFBAGTGYUKNMPZ-VXGBXAGGSA-N 1 0 295.770 3.287 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCO[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000231884284 138509918 /nfs/dbraw/zinc/50/99/18/138509918.db2.gz QFOWECWXCJSKBY-HOCLYGCPSA-N 1 0 292.379 3.196 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000746675272 571977214 /nfs/dbraw/zinc/97/72/14/571977214.db2.gz RTKCLJLAWLMCKJ-ZJUUUORDSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC1(C)C ZINC000294834457 199204036 /nfs/dbraw/zinc/20/40/36/199204036.db2.gz QGNRWCIRZWLPKK-IUODEOHRSA-N 1 0 292.379 3.073 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000178686571 189137290 /nfs/dbraw/zinc/13/72/90/189137290.db2.gz SZCKTXFIMSCKKG-VXGBXAGGSA-N 1 0 266.341 3.061 20 5 CGBDRO CCSCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000181562459 189301203 /nfs/dbraw/zinc/30/12/03/189301203.db2.gz JEGSVRZPZTVZNR-CYBMUJFWSA-N 1 0 268.382 3.389 20 5 CGBDRO CN(CC[C@H]1CCCC[N@@H+]1C)c1cccc(F)c1[N+](=O)[O-] ZINC000301419087 201002147 /nfs/dbraw/zinc/00/21/47/201002147.db2.gz BQBHALVWASJQOB-GFCCVEGCSA-N 1 0 295.358 3.045 20 5 CGBDRO Cc1ccc(NCC[N@H+]2CCCC[C@@H]2C)c([N+](=O)[O-])c1 ZINC000301430219 201004769 /nfs/dbraw/zinc/00/47/69/201004769.db2.gz GAJVHJDZWMCCFU-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000301486102 201024330 /nfs/dbraw/zinc/02/43/30/201024330.db2.gz ZTPGPNALAZPDLE-AWEZNQCLSA-N 1 0 289.379 3.271 20 5 CGBDRO Cc1ccc(N[C@@H]2CCC[C@H]([NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000301597397 201089685 /nfs/dbraw/zinc/08/96/85/201089685.db2.gz SRQUIOLQYZKUSK-OLZOCXBDSA-N 1 0 277.368 3.188 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000183346153 189355790 /nfs/dbraw/zinc/35/57/90/189355790.db2.gz OKSFBJPVBXDVOG-OLZOCXBDSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CCCCC1 ZINC000449058755 239147360 /nfs/dbraw/zinc/14/73/60/239147360.db2.gz LTZKGEXZQYNKJG-LBPRGKRZSA-N 1 0 262.353 3.448 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[C@H]1CCCCO1 ZINC000449233599 239258536 /nfs/dbraw/zinc/25/85/36/239258536.db2.gz MGZKGXMQBIBONT-UKRRQHHQSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H](CCNc1ccc(F)cc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000302183937 201387130 /nfs/dbraw/zinc/38/71/30/201387130.db2.gz SRNASCPCQZXZBG-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@H]([NH2+]CCCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000451105390 240218836 /nfs/dbraw/zinc/21/88/36/240218836.db2.gz UZISKGXCVWYGMR-NSHDSACASA-N 1 0 254.305 3.385 20 5 CGBDRO CC[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1 ZINC000453175042 240750408 /nfs/dbraw/zinc/75/04/08/240750408.db2.gz KTKKQGCYNWCGSL-MRXNPFEDSA-N 1 0 285.347 3.273 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCC[C@@H]2CCOC2)cccc1[N+](=O)[O-] ZINC000453391569 240904582 /nfs/dbraw/zinc/90/45/82/240904582.db2.gz YETQRPOJESCKOM-UONOGXRCSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000459739234 242202593 /nfs/dbraw/zinc/20/25/93/242202593.db2.gz IVNYRJOQYBRGQM-UHFFFAOYSA-N 1 0 260.337 3.407 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)CCC(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000479550738 243111048 /nfs/dbraw/zinc/11/10/48/243111048.db2.gz BXQJJLDSKKNHBE-JSGCOSHPSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@H](C[C@@H](C)CO)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000483871714 243301336 /nfs/dbraw/zinc/30/13/36/243301336.db2.gz PVOSPDCREOECJI-UXIGCNINSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H]1C[C@@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488510380 243583417 /nfs/dbraw/zinc/58/34/17/243583417.db2.gz BACNBFJHJRQLMU-GXSJLCMTSA-N 1 0 268.744 3.036 20 5 CGBDRO CSCC[C@@H](C)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000126445201 370945667 /nfs/dbraw/zinc/94/56/67/370945667.db2.gz DPTKTYJVYRJKCI-LLVKDONJSA-N 1 0 268.382 3.168 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cccs2)cc1[N+](=O)[O-] ZINC000034995823 368988583 /nfs/dbraw/zinc/98/85/83/368988583.db2.gz LXRYLGFMTYPIKG-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CCOCCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000037010482 369050257 /nfs/dbraw/zinc/05/02/57/369050257.db2.gz CCZKQORLIHTEFX-CQSZACIVSA-N 1 0 266.341 3.062 20 5 CGBDRO COc1cccc([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000037771635 369107933 /nfs/dbraw/zinc/10/79/33/369107933.db2.gz QXHVDNUFELSUEP-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000038286102 369145790 /nfs/dbraw/zinc/14/57/90/369145790.db2.gz GFDHQOUUEVQAPD-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CC[C@@H]([NH2+]CCc1nccs1)c1cccc([N+](=O)[O-])c1 ZINC000063133564 369640986 /nfs/dbraw/zinc/64/09/86/369640986.db2.gz RQZTWIGAFUBRCA-CYBMUJFWSA-N 1 0 291.376 3.335 20 5 CGBDRO CCCCOCCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000130859169 371065771 /nfs/dbraw/zinc/06/57/71/371065771.db2.gz IUHKILPWNXCUMN-ZDUSSCGKSA-N 1 0 280.368 3.452 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000134552714 371349173 /nfs/dbraw/zinc/34/91/73/371349173.db2.gz VZNHEPPPEMGWFZ-CYBMUJFWSA-N 1 0 280.393 3.312 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000149617057 371529535 /nfs/dbraw/zinc/52/95/35/371529535.db2.gz ADPMXGHSJMWGRF-WCQYABFASA-N 1 0 280.393 3.449 20 5 CGBDRO COCCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000151212134 371580901 /nfs/dbraw/zinc/58/09/01/371580901.db2.gz SQIOLUVPLROVGV-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159418512 372141537 /nfs/dbraw/zinc/14/15/37/372141537.db2.gz AGSBSRKFOGOBSO-CZUORRHYSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCCSC1 ZINC000159580062 372156911 /nfs/dbraw/zinc/15/69/11/372156911.db2.gz FCTDZDVTVADHDU-NEPJUHHUSA-N 1 0 280.393 3.449 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCSC1 ZINC000159658699 372166163 /nfs/dbraw/zinc/16/61/63/372166163.db2.gz ROQQXNQUEUOHTM-TZMCWYRMSA-N 1 0 294.420 3.401 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344332728 217154768 /nfs/dbraw/zinc/15/47/68/217154768.db2.gz ZJEVMZCHPJTVAQ-NWDGAFQWSA-N 1 0 286.784 3.232 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCC1CCOCC1 ZINC000344367282 217170198 /nfs/dbraw/zinc/17/01/98/217170198.db2.gz ZXQBADNCEVABLM-HWKANZROSA-N 1 0 290.363 3.014 20 5 CGBDRO CC(C)[C@H]1C[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361063 372363860 /nfs/dbraw/zinc/36/38/60/372363860.db2.gz ZYLMLZFPSNERAX-CZUORRHYSA-N 1 0 292.379 3.403 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000441441952 373013397 /nfs/dbraw/zinc/01/33/97/373013397.db2.gz CMHAKHSZYQYNCX-ZIAGYGMSSA-N 1 0 290.363 3.238 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296254633 373070592 /nfs/dbraw/zinc/07/05/92/373070592.db2.gz CZKDZKMTDYAZPU-CZUORRHYSA-N 1 0 294.395 3.434 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccccc1[N+](=O)[O-] ZINC000301069965 373648212 /nfs/dbraw/zinc/64/82/12/373648212.db2.gz FLCNWHLIDGERPD-QWHCGFSZSA-N 1 0 277.368 3.127 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H](C)CCCCO ZINC000449432538 373711248 /nfs/dbraw/zinc/71/12/48/373711248.db2.gz HZWVGJDMYZMPNJ-UELRPHRMSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@](C)(C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1)OC ZINC000449478113 373765406 /nfs/dbraw/zinc/76/54/06/373765406.db2.gz QSJQKYNYPNMMNH-RCBBPTIPSA-N 1 0 292.379 3.403 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1C ZINC000449505091 373804928 /nfs/dbraw/zinc/80/49/28/373804928.db2.gz QWFWNDYDAYGCQW-IINYFYTJSA-N 1 0 298.770 3.105 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCSC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000449527805 373826746 /nfs/dbraw/zinc/82/67/46/373826746.db2.gz LCUAHOQXAGYZJS-HNNXBMFYSA-N 1 0 292.404 3.231 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449495607 373791780 /nfs/dbraw/zinc/79/17/80/373791780.db2.gz OQVZFALUQMVHDA-CQSZACIVSA-N 1 0 299.374 3.062 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccc(F)cc1[N+](=O)[O-] ZINC000303514422 374020345 /nfs/dbraw/zinc/02/03/45/374020345.db2.gz BXXJRHLVQXBPCP-CYBMUJFWSA-N 1 0 295.358 3.410 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[C@H](O)C2)cccc1[N+](=O)[O-] ZINC000305150184 374078715 /nfs/dbraw/zinc/07/87/15/374078715.db2.gz OKRCYBPQBSVDND-MJBXVCDLSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000310919040 374229071 /nfs/dbraw/zinc/22/90/71/374229071.db2.gz GULYDUHDCUFFCY-SNVBAGLBSA-N 1 0 254.305 3.210 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[N@@H+](C)C(C)C ZINC000311430333 374241724 /nfs/dbraw/zinc/24/17/24/374241724.db2.gz MRINANVDWVQHIC-GFCCVEGCSA-N 1 0 265.357 3.044 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000313499004 374302330 /nfs/dbraw/zinc/30/23/30/374302330.db2.gz IUDILZQUEGMUAJ-IUODEOHRSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@H]([NH2+]C1CC(C)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000453252875 374372832 /nfs/dbraw/zinc/37/28/32/374372832.db2.gz ONCCGICCGORFET-FJJSSXBZSA-N 1 0 252.289 3.136 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@@H](C)O2)cc1[N+](=O)[O-] ZINC000249122757 189959518 /nfs/dbraw/zinc/95/95/18/189959518.db2.gz SYUUNENWWGVSQT-DYEKYZERSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc(C[NH+]2CCC(C)(C)CC2)cc1[N+](=O)[O-] ZINC000330443301 374465526 /nfs/dbraw/zinc/46/55/26/374465526.db2.gz FTSCWLDXQGQQBM-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000453383490 374469062 /nfs/dbraw/zinc/46/90/62/374469062.db2.gz SRMXAAKPZCXLKU-NUEKZKHPSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[N@@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])CC(C)C ZINC000184243530 374508208 /nfs/dbraw/zinc/50/82/08/374508208.db2.gz LNKQSBCOXARQRB-UHFFFAOYSA-N 1 0 284.331 3.220 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])[C@H]1COc2ccccc21 ZINC000185584887 374693534 /nfs/dbraw/zinc/69/35/34/374693534.db2.gz PWSMZBBJQQOREB-IUODEOHRSA-N 1 0 298.342 3.249 20 5 CGBDRO COC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000187444986 375022601 /nfs/dbraw/zinc/02/26/01/375022601.db2.gz RLLACISFSLYSGF-UHFFFAOYSA-N 1 0 278.352 3.034 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]2CCO)cccc1[N+](=O)[O-] ZINC000187988849 375134001 /nfs/dbraw/zinc/13/40/01/375134001.db2.gz LJDCJOHOMAVBLP-GUTXKFCHSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1cncc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)c1 ZINC000189981080 375465092 /nfs/dbraw/zinc/46/50/92/375465092.db2.gz IRXHROWRRAHVRP-UHFFFAOYSA-N 1 0 297.358 3.463 20 5 CGBDRO CC1(C)[C@@H]2C[N@@H+](Cc3c(Cl)cccc3[N+](=O)[O-])C[C@@H]21 ZINC000493339886 375468040 /nfs/dbraw/zinc/46/80/40/375468040.db2.gz UNMWBRLRKMTZQI-PHIMTYICSA-N 1 0 280.755 3.336 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@@H]2CCC=CO2)C2CC2)c1 ZINC000193702031 375912176 /nfs/dbraw/zinc/91/21/76/375912176.db2.gz XDJNOXJYMWYGIU-INIZCTEOSA-N 1 0 288.347 3.252 20 5 CGBDRO CSC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193819759 375926181 /nfs/dbraw/zinc/92/61/81/375926181.db2.gz APBIKXWGTFMQDT-SNVBAGLBSA-N 1 0 266.366 3.141 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000336794167 375943503 /nfs/dbraw/zinc/94/35/03/375943503.db2.gz ZZNLGLLSSNXPLZ-UHFFFAOYSA-N 1 0 252.289 3.108 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000537092672 376147912 /nfs/dbraw/zinc/14/79/12/376147912.db2.gz DVUCKKKNGDNTQA-CHWSQXEVSA-N 1 0 280.368 3.451 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C(C)(C)C ZINC000338343725 376340776 /nfs/dbraw/zinc/34/07/76/376340776.db2.gz BGKNNYSAMUAXBE-CQSZACIVSA-N 1 0 280.368 3.136 20 5 CGBDRO CC(C)SCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000338269877 376305519 /nfs/dbraw/zinc/30/55/19/376305519.db2.gz HNCRZCVZSCEBIT-UHFFFAOYSA-N 1 0 280.393 3.095 20 5 CGBDRO C[C@H](C[NH+]1CCCCC1)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888172 376417000 /nfs/dbraw/zinc/41/70/00/376417000.db2.gz VVIDTYWERTXNTL-SNVBAGLBSA-N 1 0 299.321 3.159 20 5 CGBDRO CC(C)[N@H+](C)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227888180 376417534 /nfs/dbraw/zinc/41/75/34/376417534.db2.gz CQRNAONXLOJRQC-UHFFFAOYSA-N 1 0 287.310 3.015 20 5 CGBDRO C[C@H](CNc1ccc(Cl)cc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000231675600 376564436 /nfs/dbraw/zinc/56/44/36/376564436.db2.gz IOKMLEXROGSYRB-SECBINFHSA-N 1 0 283.759 3.143 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000233848297 376603940 /nfs/dbraw/zinc/60/39/40/376603940.db2.gz XTAYZVSKYXSQPY-KGLIPLIRSA-N 1 0 280.393 3.359 20 5 CGBDRO CC[N@@H+](CCc1ccc([N+](=O)[O-])cc1)CCC1CC1 ZINC000545520262 376829670 /nfs/dbraw/zinc/82/96/70/376829670.db2.gz BZUQSUSYQHSKLM-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)c1 ZINC000247517777 377217269 /nfs/dbraw/zinc/21/72/69/377217269.db2.gz NCVXCNRLYUKRMF-UKRRQHHQSA-N 1 0 260.337 3.359 20 5 CGBDRO COC[C@@H](C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000562521770 377324198 /nfs/dbraw/zinc/32/41/98/377324198.db2.gz WBHAGVYGMLFXNF-DZGCQCFKSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000562107574 377278070 /nfs/dbraw/zinc/27/80/70/377278070.db2.gz ZHLMMAISRWPXNU-DAXOMENPSA-N 1 0 292.379 3.247 20 5 CGBDRO CCC[N@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)C(C)C ZINC000563365009 377450875 /nfs/dbraw/zinc/45/08/75/377450875.db2.gz ANWJOCOOGJFAHY-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1ccccc1[N+](=O)[O-] ZINC000275017181 249065860 /nfs/dbraw/zinc/06/58/60/249065860.db2.gz LSBFUEFSLKLCAZ-NWDGAFQWSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000250139124 377554513 /nfs/dbraw/zinc/55/45/13/377554513.db2.gz YQCTVBXCKFWVOC-JONQDZQNSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H](CNc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000252210662 377619670 /nfs/dbraw/zinc/61/96/70/377619670.db2.gz WFPBEVPQSHDGCR-QWHCGFSZSA-N 1 0 277.368 3.127 20 5 CGBDRO C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CC[C@H]1CCCO1 ZINC000343476675 377992185 /nfs/dbraw/zinc/99/21/85/377992185.db2.gz VLCJEULYUXDCEL-NFBGWVBBSA-N 1 0 290.363 3.109 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](c3ccncc3)C2)cs1 ZINC000579021711 378123985 /nfs/dbraw/zinc/12/39/85/378123985.db2.gz GRBSJGFZJJDGTO-ZDUSSCGKSA-N 1 0 289.360 3.041 20 5 CGBDRO CC(C)c1ccc(CN(C)CCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000584437418 378385044 /nfs/dbraw/zinc/38/50/44/378385044.db2.gz IFYNGGREAKXHBZ-UHFFFAOYSA-N 1 0 293.411 3.102 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC3(CCC3)C2)c1 ZINC000348180766 378826178 /nfs/dbraw/zinc/82/61/78/378826178.db2.gz LPKWLXFOFJFHFL-UHFFFAOYSA-N 1 0 260.337 3.361 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cc1[N+](=O)[O-] ZINC000348331591 378912316 /nfs/dbraw/zinc/91/23/16/378912316.db2.gz VVNBCNQEKQLPBJ-WCFLWFBJSA-N 1 0 266.316 3.444 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000348334106 378914240 /nfs/dbraw/zinc/91/42/40/378914240.db2.gz NSUFZMGCLORQLL-SRVKXCTJSA-N 1 0 266.316 3.444 20 5 CGBDRO COCC(C)(C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276909103 379019447 /nfs/dbraw/zinc/01/94/47/379019447.db2.gz JBSUVQDGSUKYIG-LBPRGKRZSA-N 1 0 280.368 3.226 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H]1CCCc2occc21 ZINC000278629281 194075203 /nfs/dbraw/zinc/07/52/03/194075203.db2.gz GUURJCFADZUPAN-CQSZACIVSA-N 1 0 286.331 3.398 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000277303419 379125084 /nfs/dbraw/zinc/12/50/84/379125084.db2.gz UIWOUCAZNDEWOC-UKRRQHHQSA-N 1 0 291.395 3.072 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCCC12CCC2 ZINC000373091318 379220343 /nfs/dbraw/zinc/22/03/43/379220343.db2.gz BOZKBEXSKBJZKU-UHFFFAOYSA-N 1 0 264.300 3.252 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266544474 190265926 /nfs/dbraw/zinc/26/59/26/190265926.db2.gz RJMNWEGTNOZKFU-QWHCGFSZSA-N 1 0 278.352 3.014 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](c3ccco3)C2)c1 ZINC000374001219 379359250 /nfs/dbraw/zinc/35/92/50/379359250.db2.gz GGHBIMVSLVYIBM-CYBMUJFWSA-N 1 0 272.304 3.177 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000347607960 218289563 /nfs/dbraw/zinc/28/95/63/218289563.db2.gz UEZNIZDCULVCEL-WDEREUQCSA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000266763994 190279411 /nfs/dbraw/zinc/27/94/11/190279411.db2.gz HGYDJWZUADXISJ-NWDGAFQWSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1ccoc1 ZINC000350035147 379483254 /nfs/dbraw/zinc/48/32/54/379483254.db2.gz NQQFXRIJHWNMOZ-LLVKDONJSA-N 1 0 260.293 3.381 20 5 CGBDRO CC(C)CC[C@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280216107 379643877 /nfs/dbraw/zinc/64/38/77/379643877.db2.gz KPKLESXPLSPLIY-WFASDCNBSA-N 1 0 280.368 3.043 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280337136 379682246 /nfs/dbraw/zinc/68/22/46/379682246.db2.gz IDPIKMZMJKNXGO-MRXNPFEDSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@H]([N@H+](C)Cc1ccc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC000352617388 379880435 /nfs/dbraw/zinc/88/04/35/379880435.db2.gz BTPQXWXRHWZFOK-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000388226695 379882085 /nfs/dbraw/zinc/88/20/85/379882085.db2.gz KORCANZNNBXYFD-HFAKWTLXSA-N 1 0 278.352 3.059 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000282553545 379945500 /nfs/dbraw/zinc/94/55/00/379945500.db2.gz SQZGBRDPUNTNDM-HNNXBMFYSA-N 1 0 296.342 3.125 20 5 CGBDRO C[C@H]([NH2+]CCC[C@@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000402092371 379961067 /nfs/dbraw/zinc/96/10/67/379961067.db2.gz JMQMBIRABQDLAN-QWHCGFSZSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2F)cc1[N+](=O)[O-] ZINC000414512950 380288958 /nfs/dbraw/zinc/28/89/58/380288958.db2.gz OHQSGZNXSUUWDJ-CHWSQXEVSA-N 1 0 266.316 3.274 20 5 CGBDRO CO[C@]1(C)CCC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000355196127 380618282 /nfs/dbraw/zinc/61/82/82/380618282.db2.gz HPTDHONSAYEASS-KQQSKNTNSA-N 1 0 290.363 3.109 20 5 CGBDRO COc1ccc(C[N@H+](CC2CC2)C2CCC2)cc1[N+](=O)[O-] ZINC000355737959 380764519 /nfs/dbraw/zinc/76/45/19/380764519.db2.gz WFQNMUPJQACNOU-UHFFFAOYSA-N 1 0 290.363 3.368 20 5 CGBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])CC(C)C ZINC000419279946 380793007 /nfs/dbraw/zinc/79/30/07/380793007.db2.gz IQCOBXGHCOUZHH-CYBMUJFWSA-N 1 0 294.395 3.481 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)[C@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000419372687 380820160 /nfs/dbraw/zinc/82/01/60/380820160.db2.gz MUHLATNPKLUTDN-SDDRHHMPSA-N 1 0 278.352 3.080 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCOC2)cccc1[N+](=O)[O-] ZINC000356856618 380903992 /nfs/dbraw/zinc/90/39/92/380903992.db2.gz WHRJOXRUXHULST-MELADBBJSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC000348334104 218579228 /nfs/dbraw/zinc/57/92/28/218579228.db2.gz NSUFZMGCLORQLL-QJPTWQEYSA-N 1 0 266.316 3.444 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000362435029 381989944 /nfs/dbraw/zinc/98/99/44/381989944.db2.gz BZIQRFZADBXFPB-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N1CCc2c[nH+]ccc21 ZINC000302755728 285090591 /nfs/dbraw/zinc/09/05/91/285090591.db2.gz INYKYXUWDZVPSL-UHFFFAOYSA-N 1 0 275.695 3.337 20 5 CGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000353816238 220348763 /nfs/dbraw/zinc/34/87/63/220348763.db2.gz LWVDPCVESVBSGX-VURMDHGXSA-N 1 0 260.337 3.482 20 5 CGBDRO CCOC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000189794416 130022781 /nfs/dbraw/zinc/02/27/81/130022781.db2.gz HRQCECXDRSKDDC-WFASDCNBSA-N 1 0 280.368 3.307 20 5 CGBDRO CC/C=C\CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000342196251 130328072 /nfs/dbraw/zinc/32/80/72/130328072.db2.gz FFNJIJMIEPRYAC-ARJAWSKDSA-N 1 0 260.337 3.309 20 5 CGBDRO Cc1ccc(C[NH2+]CCOC2CCCCC2)cc1[N+](=O)[O-] ZINC000070168416 392178551 /nfs/dbraw/zinc/17/85/51/392178551.db2.gz MBASHCXXTKUREG-UHFFFAOYSA-N 1 0 292.379 3.342 20 5 CGBDRO CCCO[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000108391664 392342109 /nfs/dbraw/zinc/34/21/09/392342109.db2.gz GPTFSTXFPXVGLT-CYBMUJFWSA-N 1 0 298.408 3.437 20 5 CGBDRO Cc1ccc(C[NH2+]CC2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000291641744 392474737 /nfs/dbraw/zinc/47/47/37/392474737.db2.gz BQKZOOQVOQHXLW-UHFFFAOYSA-N 1 0 270.279 3.038 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000505609555 392680049 /nfs/dbraw/zinc/68/00/49/392680049.db2.gz ZHNROUAZHDCMDW-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000511520677 392837832 /nfs/dbraw/zinc/83/78/32/392837832.db2.gz FYXTYUFQQDTCRK-BMWLXYDHSA-N 1 0 260.337 3.482 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511104821 392827856 /nfs/dbraw/zinc/82/78/56/392827856.db2.gz GJJNEJYOYOXFMK-GFCCVEGCSA-N 1 0 250.342 3.115 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000248824629 393095773 /nfs/dbraw/zinc/09/57/73/393095773.db2.gz FVHNGMMCLWRAGT-UVBJJODRSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000466911156 393068945 /nfs/dbraw/zinc/06/89/45/393068945.db2.gz NXJZGZCOYFJUGA-BETUJISGSA-N 1 0 278.352 3.237 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468627524 393154770 /nfs/dbraw/zinc/15/47/70/393154770.db2.gz AVGCWDAEOFNITF-RCBBPTIPSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269048778 393220441 /nfs/dbraw/zinc/22/04/41/393220441.db2.gz VNQCDCONTUAEAU-GFCCVEGCSA-N 1 0 280.368 3.105 20 5 CGBDRO CC(C)[NH+](CCN(C)Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000356399704 393435839 /nfs/dbraw/zinc/43/58/39/393435839.db2.gz YNLMHXWKVVWJCS-UHFFFAOYSA-N 1 0 293.411 3.145 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000429581157 393488347 /nfs/dbraw/zinc/48/83/47/393488347.db2.gz YEBPVZYTFHPFOJ-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000429601840 393492063 /nfs/dbraw/zinc/49/20/63/393492063.db2.gz WPVZOWITXUMMFY-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000430207478 393539747 /nfs/dbraw/zinc/53/97/47/393539747.db2.gz QQADIXBXXUSHMB-STQMWFEESA-N 1 0 290.363 3.225 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC1(C)C ZINC000489397800 393594010 /nfs/dbraw/zinc/59/40/10/393594010.db2.gz FETLKQJFWRVTEX-CQSZACIVSA-N 1 0 278.352 3.224 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])nc1 ZINC000453407231 394236851 /nfs/dbraw/zinc/23/68/51/394236851.db2.gz DJMSPFXSLMDGMC-CQSZACIVSA-N 1 0 299.374 3.062 20 5 CGBDRO CCO[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000451533330 286216376 /nfs/dbraw/zinc/21/63/76/286216376.db2.gz WIYBPUNLUQQWSK-WOSRLPQWSA-N 1 0 292.379 3.403 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H]2C(C)C)c([N+](=O)[O-])cc1F ZINC000330922231 286218979 /nfs/dbraw/zinc/21/89/79/286218979.db2.gz RBLBYOGNALIQKR-ZDUSSCGKSA-N 1 0 296.342 3.363 20 5 CGBDRO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000296235626 292378444 /nfs/dbraw/zinc/37/84/44/292378444.db2.gz AOHBSWYVZYGMGH-NEPJUHHUSA-N 1 0 266.341 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000088455489 287086638 /nfs/dbraw/zinc/08/66/38/287086638.db2.gz AFLBASPPRQSWKF-UHFFFAOYSA-N 1 0 260.337 3.121 20 5 CGBDRO C[C@@H](c1ccco1)[N@H+](C)CCOc1cccc([N+](=O)[O-])c1 ZINC000069066378 165050888 /nfs/dbraw/zinc/05/08/88/165050888.db2.gz AALVLAIUESAIRQ-LBPRGKRZSA-N 1 0 290.319 3.260 20 5 CGBDRO Cc1ccc(C[N@H+](CCCO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000093146072 165326500 /nfs/dbraw/zinc/32/65/00/165326500.db2.gz UEEJCUQXTBYWSE-UHFFFAOYSA-N 1 0 294.395 3.134 20 5 CGBDRO C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000091859410 287109908 /nfs/dbraw/zinc/10/99/08/287109908.db2.gz MVZJAASWHRAVCT-MVTQWGDUSA-N 1 0 260.337 3.338 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000094948882 165395637 /nfs/dbraw/zinc/39/56/37/165395637.db2.gz DUNYPIWWMSTWBI-CJNGLKHVSA-N 1 0 294.395 3.434 20 5 CGBDRO CC(C)[NH+](CCOc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000183065119 165709745 /nfs/dbraw/zinc/70/97/45/165709745.db2.gz FZWQRXVNSYPLOS-UHFFFAOYSA-N 1 0 266.341 3.092 20 5 CGBDRO C[C@H]1CCC[C@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000035677743 172348354 /nfs/dbraw/zinc/34/83/54/172348354.db2.gz ZPPZKNRVRPQITJ-JSGCOSHPSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[NH+](CC)[C@H](C)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000127551471 287290214 /nfs/dbraw/zinc/29/02/14/287290214.db2.gz JAAFOCMJATVBSG-KGLIPLIRSA-N 1 0 293.411 3.284 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000045629125 175381681 /nfs/dbraw/zinc/38/16/81/175381681.db2.gz FFNXUIWOXGAVGY-CYBMUJFWSA-N 1 0 260.337 3.349 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000130965059 287367466 /nfs/dbraw/zinc/36/74/66/287367466.db2.gz XGKLEYHYXGDJPO-OLZOCXBDSA-N 1 0 291.395 3.037 20 5 CGBDRO CO[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])CC(C)C ZINC000418096583 228041483 /nfs/dbraw/zinc/04/14/83/228041483.db2.gz KFJLINXGWWAXRJ-PMGBHYCQSA-N 1 0 292.379 3.259 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000051532621 264006466 /nfs/dbraw/zinc/00/64/66/264006466.db2.gz MXMSNUYCRWFKIS-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1C ZINC000041677517 270031316 /nfs/dbraw/zinc/03/13/16/270031316.db2.gz NRYNFXCFYSRJEF-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176928 270028829 /nfs/dbraw/zinc/02/88/29/270028829.db2.gz JKVZBXQFRMZSMC-CYBMUJFWSA-N 1 0 270.332 3.488 20 5 CGBDRO CCc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000040675854 270029666 /nfs/dbraw/zinc/02/96/66/270029666.db2.gz PENBBXRLLUCVKL-UHFFFAOYSA-N 1 0 284.359 3.490 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1ccc(C)cc1[N+](=O)[O-] ZINC000041677520 270031473 /nfs/dbraw/zinc/03/14/73/270031473.db2.gz HGJPXUBAKDXBCK-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO CCC[NH+](CCC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184244692 270058080 /nfs/dbraw/zinc/05/80/80/270058080.db2.gz HLHNRVODWKJBSN-UHFFFAOYSA-N 1 0 284.331 3.365 20 5 CGBDRO C[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000192708985 270077522 /nfs/dbraw/zinc/07/75/22/270077522.db2.gz YGOMOVSBHJOBCZ-UHFFFAOYSA-N 1 0 292.379 3.112 20 5 CGBDRO CC[C@@H]([NH2+]CCCOC(F)F)c1cccc([N+](=O)[O-])c1 ZINC000194028650 270080831 /nfs/dbraw/zinc/08/08/31/270080831.db2.gz KAVVLJPWIBPJSO-GFCCVEGCSA-N 1 0 288.294 3.265 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)C1CCC1 ZINC000325093973 270095096 /nfs/dbraw/zinc/09/50/96/270095096.db2.gz NMRGVFXBWGPQSX-CQSZACIVSA-N 1 0 278.352 3.272 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531973045 270211977 /nfs/dbraw/zinc/21/19/77/270211977.db2.gz IKWKCVBUFBISCQ-DOMZBBRYSA-N 1 0 280.368 3.105 20 5 CGBDRO C[C@@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000245592328 287671296 /nfs/dbraw/zinc/67/12/96/287671296.db2.gz LOCJMSVEWSVXCX-IJLUTSLNSA-N 1 0 278.352 3.201 20 5 CGBDRO C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433237106 274496358 /nfs/dbraw/zinc/49/63/58/274496358.db2.gz UCAWEWWISUDUTK-JRPNMDOOSA-N 1 0 292.379 3.066 20 5 CGBDRO Cc1cc(F)ccc1CC[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000094950608 274701735 /nfs/dbraw/zinc/70/17/35/274701735.db2.gz MCGBNPBKPGMWOX-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000348271342 275828392 /nfs/dbraw/zinc/82/83/92/275828392.db2.gz IKNHKISLNDBHJM-AVGNSLFASA-N 1 0 292.383 3.053 20 5 CGBDRO CO[C@]1(C)CCC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000330962054 277358867 /nfs/dbraw/zinc/35/88/67/277358867.db2.gz CBFWHDOXDNLICW-CZUORRHYSA-N 1 0 292.379 3.465 20 5 CGBDRO C[C@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)CC(F)(F)F ZINC000397035146 288020786 /nfs/dbraw/zinc/02/07/86/288020786.db2.gz ZTXXTHLPNSUHQX-ZETCQYMHSA-N 1 0 282.287 3.334 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)[C@H]1CC1(C)C ZINC000397631507 288025602 /nfs/dbraw/zinc/02/56/02/288025602.db2.gz USGFWKZWDQWWBB-ZWNOBZJWSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@@H](NCC[N@@H+]1CCCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000453394934 278347199 /nfs/dbraw/zinc/34/71/99/278347199.db2.gz JMGOPDSTKWUYHK-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000074317886 278348646 /nfs/dbraw/zinc/34/86/46/278348646.db2.gz ODEBINHWLPOSMF-LLVKDONJSA-N 1 0 250.342 3.162 20 5 CGBDRO C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000348245522 279098387 /nfs/dbraw/zinc/09/83/87/279098387.db2.gz KKQHREKSZVCEFB-BXKDBHETSA-N 1 0 288.269 3.368 20 5 CGBDRO C[C@H](CN1CCCCC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037153354 279303350 /nfs/dbraw/zinc/30/33/50/279303350.db2.gz BKZWTGDIFJTBPF-KGLIPLIRSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000074317881 279472579 /nfs/dbraw/zinc/47/25/79/279472579.db2.gz ODEBINHWLPOSMF-NSHDSACASA-N 1 0 250.342 3.162 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390575 281267297 /nfs/dbraw/zinc/26/72/97/281267297.db2.gz ZCSFMZKYYSYYFS-GWCFXTLKSA-N 1 0 296.342 3.363 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC[C@@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000552067583 289158655 /nfs/dbraw/zinc/15/86/55/289158655.db2.gz PYPJYCNMGBFQAP-KGLIPLIRSA-N 1 0 262.353 3.427 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000553333488 289219878 /nfs/dbraw/zinc/21/98/78/289219878.db2.gz YFBLFVDQLIVNHZ-HZUKXOBISA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000553427898 289224112 /nfs/dbraw/zinc/22/41/12/289224112.db2.gz SPMJOLRLVJTJGN-CHWSQXEVSA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000554346281 289272684 /nfs/dbraw/zinc/27/26/84/289272684.db2.gz ZGTNSESSSUZKNO-COLVAYQJSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H](F)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000556234136 289379360 /nfs/dbraw/zinc/37/93/60/289379360.db2.gz VBUHCQPGONTFBS-SMDDNHRTSA-N 1 0 280.343 3.254 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000165116596 321904012 /nfs/dbraw/zinc/90/40/12/321904012.db2.gz COBGSGOEZPBXHF-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](CC2CC2)CC1 ZINC000171232702 321922874 /nfs/dbraw/zinc/92/28/74/321922874.db2.gz WLLUKNCDUJIANB-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC=CCC1 ZINC000563637211 322005178 /nfs/dbraw/zinc/00/51/78/322005178.db2.gz MRMYJJWVCWHKNI-RISCZKNCSA-N 1 0 258.321 3.280 20 5 CGBDRO CO[C@](C)(C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000567207238 322154465 /nfs/dbraw/zinc/15/44/65/322154465.db2.gz AJDCBFDMWANCHA-BLLLJJGKSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1cccc(OC[C@H]2CC[C@H](C[NH3+])CC2)c1[N+](=O)[O-] ZINC000569474810 322248307 /nfs/dbraw/zinc/24/83/07/322248307.db2.gz RDMSWUUUPDKVAK-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1OCCC[NH+]1CCCCC1 ZINC000574310274 322433765 /nfs/dbraw/zinc/43/37/65/322433765.db2.gz FFGQSKBLKBAHSA-UHFFFAOYSA-N 1 0 278.352 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]3C3CC3)c2c1 ZINC000584195836 327062833 /nfs/dbraw/zinc/06/28/33/327062833.db2.gz TWWCDYXPZHJMGI-GDBMZVCRSA-N 1 0 299.374 3.397 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c1 ZINC000177548285 335374422 /nfs/dbraw/zinc/37/44/22/335374422.db2.gz PDXRVSAPUWEUQQ-KBPBESRZSA-N 1 0 260.337 3.217 20 5 CGBDRO CCCC[N@H+](CC)Cc1ccc([N+](=O)[O-])cc1F ZINC000385667388 336153852 /nfs/dbraw/zinc/15/38/52/336153852.db2.gz DEXCQKOKLVJLES-UHFFFAOYSA-N 1 0 254.305 3.356 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)[C@@H](C)O1 ZINC000449169377 533945037 /nfs/dbraw/zinc/94/50/37/533945037.db2.gz GSNUCKKAPMMIFB-IOASZLSFSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccn2C)cc1[N+](=O)[O-] ZINC000175062092 534225870 /nfs/dbraw/zinc/22/58/70/534225870.db2.gz NIVNBNRGZPXBMZ-LBPRGKRZSA-N 1 0 273.336 3.093 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C12CCC2 ZINC000087710805 520429553 /nfs/dbraw/zinc/42/95/53/520429553.db2.gz MUPMCYORMORWSA-LSDHHAIUSA-N 1 0 290.363 3.032 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774318 520645774 /nfs/dbraw/zinc/64/57/74/520645774.db2.gz XIKUYJFRIZYULT-SNVBAGLBSA-N 1 0 254.305 3.354 20 5 CGBDRO CCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000104679433 521485830 /nfs/dbraw/zinc/48/58/30/521485830.db2.gz LSVHESQVZICMLI-UHFFFAOYSA-N 1 0 289.335 3.134 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1OC ZINC000111254645 521970904 /nfs/dbraw/zinc/97/09/04/521970904.db2.gz HMIHGSCPDHONHN-LLVKDONJSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@H](C)C[NH+]1CCCCC1 ZINC000150332625 524909388 /nfs/dbraw/zinc/90/93/88/524909388.db2.gz SMOCSYKYEHAXPO-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)cc1[N+](=O)[O-] ZINC000086256510 525928721 /nfs/dbraw/zinc/92/87/21/525928721.db2.gz WACJDHNJHGOIOQ-NSHDSACASA-N 1 0 259.309 3.082 20 5 CGBDRO Cc1cncc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000184344276 526212193 /nfs/dbraw/zinc/21/21/93/526212193.db2.gz NALGPSAWPIZGTB-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO OCCOCC[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000060816920 527555977 /nfs/dbraw/zinc/55/59/77/527555977.db2.gz OCTVCAZAYLTVFS-UHFFFAOYSA-N 1 0 295.382 3.092 20 5 CGBDRO CC1=CCC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000437351291 528101318 /nfs/dbraw/zinc/10/13/18/528101318.db2.gz XZSPLNPHOUYMTN-VMPITWQZSA-N 1 0 258.321 3.260 20 5 CGBDRO CCN(CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000155845751 528515048 /nfs/dbraw/zinc/51/50/48/528515048.db2.gz NNKAJWQLNYPEIT-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCCF)cc1[N+](=O)[O-] ZINC000360995170 528594297 /nfs/dbraw/zinc/59/42/97/528594297.db2.gz HSDQLLOKLJVPPP-LLVKDONJSA-N 1 0 284.331 3.394 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CCCC1 ZINC000175053543 528611767 /nfs/dbraw/zinc/61/17/67/528611767.db2.gz HYRGBYKNHBLHAR-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO CC(C)[N@H+](CC[C@H]1CCOC1)Cc1ccc([N+](=O)[O-])cc1 ZINC000437583436 528913137 /nfs/dbraw/zinc/91/31/37/528913137.db2.gz WVNRRBFCPNSBRV-HNNXBMFYSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[N@@H+]1CCC[C@H](CNc2cc(C)c([N+](=O)[O-])cc2F)C1 ZINC000359909423 529085409 /nfs/dbraw/zinc/08/54/09/529085409.db2.gz IHYMEVMYXZMYEV-GFCCVEGCSA-N 1 0 295.358 3.186 20 5 CGBDRO CC[C@@H]([NH2+]CCOCC1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000361039946 529166047 /nfs/dbraw/zinc/16/60/47/529166047.db2.gz FOWGJTZFXFCJLK-MRXNPFEDSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000414192209 529171663 /nfs/dbraw/zinc/17/16/63/529171663.db2.gz HGGRNTYGAZEOPY-SWLSCSKDSA-N 1 0 280.368 3.308 20 5 CGBDRO CC[C@@H](NC[C@@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127591552 535804418 /nfs/dbraw/zinc/80/44/18/535804418.db2.gz XUBBXWORLHUSKL-CZUORRHYSA-N 1 0 293.411 3.366 20 5 CGBDRO C[C@H](COc1ccccc1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000728783013 571821210 /nfs/dbraw/zinc/82/12/10/571821210.db2.gz XDKRUUMEYPFLFC-LLVKDONJSA-N 1 0 292.360 3.213 20 5 CGBDRO C[C@@H]1CSCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934298556 618581813 /nfs/dbraw/zinc/58/18/13/618581813.db2.gz KSCVNMJUYPSORF-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO CCN(Cn1c2cc([N+](=O)[O-])ccc2oc1=S)C1CC1 ZINC000121893312 618661419 /nfs/dbraw/zinc/66/14/19/618661419.db2.gz JFJFMKJSOTWMDA-UHFFFAOYSA-N 1 0 293.348 3.314 20 5 CGBDRO CC(C)CC[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000052246283 618704611 /nfs/dbraw/zinc/70/46/11/618704611.db2.gz GHVURXKJGODJHR-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000219211294 618721043 /nfs/dbraw/zinc/72/10/43/618721043.db2.gz NWJXOWJUKVFHCR-JTQLQIEISA-N 1 0 290.294 3.290 20 5 CGBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000311149971 618893608 /nfs/dbraw/zinc/89/36/08/618893608.db2.gz INYIXVUDZYOGRV-PRHODGIISA-N 1 0 286.784 3.232 20 5 CGBDRO COC[C@@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C(C)C ZINC000093632988 619207515 /nfs/dbraw/zinc/20/75/15/619207515.db2.gz AAEPRPJJEDXOCT-GFCCVEGCSA-N 1 0 286.759 3.009 20 5 CGBDRO C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000067217562 619395113 /nfs/dbraw/zinc/39/51/13/619395113.db2.gz CLHAJQDCKNFWAD-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO COc1c(O)ccc(C[NH2+][C@H](C)CC(C)(C)C)c1[N+](=O)[O-] ZINC000894807408 619640823 /nfs/dbraw/zinc/64/08/23/619640823.db2.gz VUWUPNJEGWZOGH-SNVBAGLBSA-N 1 0 296.367 3.223 20 5 CGBDRO C[C@H]([NH2+]C1CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872016939 620273791 /nfs/dbraw/zinc/27/37/91/620273791.db2.gz QZXHCSOJXRPNNT-VIFPVBQESA-N 1 0 252.289 3.327 20 5 CGBDRO CSC1(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000897463432 620340213 /nfs/dbraw/zinc/34/02/13/620340213.db2.gz FVDWLWYDLBNQGF-NSHDSACASA-N 1 0 280.393 3.184 20 5 CGBDRO Cc1nc(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])cs1 ZINC000897469472 620341745 /nfs/dbraw/zinc/34/17/45/620341745.db2.gz KSSMJPYEZMPJCB-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1(Br)CC1 ZINC000925305284 620394397 /nfs/dbraw/zinc/39/43/97/620394397.db2.gz AYQZJWCHBDMDHH-VIFPVBQESA-N 1 0 299.168 3.000 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCS1 ZINC000897799749 620434957 /nfs/dbraw/zinc/43/49/57/620434957.db2.gz KPFAWUYJAFZWNW-LBPRGKRZSA-N 1 0 280.393 3.359 20 5 CGBDRO CC[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215166 620518687 /nfs/dbraw/zinc/51/86/87/620518687.db2.gz UZCNMQFANYRRJQ-NXEZZACHSA-N 1 0 254.305 3.053 20 5 CGBDRO CC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215173 620519277 /nfs/dbraw/zinc/51/92/77/620519277.db2.gz UZCNMQFANYRRJQ-ZJUUUORDSA-N 1 0 254.305 3.053 20 5 CGBDRO CC[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])OC ZINC000323078229 620530858 /nfs/dbraw/zinc/53/08/58/620530858.db2.gz YFXPNJGRMUYDAK-CYBMUJFWSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000252681572 625465213 /nfs/dbraw/zinc/46/52/13/625465213.db2.gz AOOTWWBNWNGKSH-GUYJKWIASA-N 1 0 292.379 3.043 20 5 CGBDRO CNc1ccccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000902077043 621127165 /nfs/dbraw/zinc/12/71/65/621127165.db2.gz BXUIATMQZRUPKJ-LBPRGKRZSA-N 1 0 285.347 3.487 20 5 CGBDRO C[C@H](N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000902372336 621277110 /nfs/dbraw/zinc/27/71/10/621277110.db2.gz XDNVEPRZUVJVIX-STQMWFEESA-N 1 0 291.395 3.024 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC2CCC2)cc([N+](=O)[O-])c1 ZINC000903078392 621559495 /nfs/dbraw/zinc/55/94/95/621559495.db2.gz GZKLALVORJPROL-SNVBAGLBSA-N 1 0 264.325 3.054 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000903128801 621591540 /nfs/dbraw/zinc/59/15/40/621591540.db2.gz BIRRZBXHQVOECH-QGZVFWFLSA-N 1 0 297.358 3.273 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000903318914 621673843 /nfs/dbraw/zinc/67/38/43/621673843.db2.gz SLTQIXFPXNZKGW-BAESOJJISA-N 1 0 292.354 3.443 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C/C=C\Cl)CCC2 ZINC000903444299 621756218 /nfs/dbraw/zinc/75/62/18/621756218.db2.gz OGETUSNNIWNOJZ-WPRPQAPASA-N 1 0 266.728 3.314 20 5 CGBDRO Cc1ccc(COc2ccc3c(c2)C[NH2+]C3)cc1[N+](=O)[O-] ZINC000905616810 622090373 /nfs/dbraw/zinc/09/03/73/622090373.db2.gz WPNYEGBBWZVMCS-UHFFFAOYSA-N 1 0 284.315 3.085 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C=CCC2)cc1Cl ZINC000826941425 623439975 /nfs/dbraw/zinc/43/99/75/623439975.db2.gz JGUUFMWNXSSBAI-SNVBAGLBSA-N 1 0 252.701 3.056 20 5 CGBDRO C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@H+](C)CC[N+](=O)[O-] ZINC000929773828 623626333 /nfs/dbraw/zinc/62/63/33/623626333.db2.gz IYWUNPDKQKTIHQ-WDEREUQCSA-N 1 0 270.760 3.041 20 5 CGBDRO CC(C)CC[NH+](CCC(C)C)Cn1nccc1[N+](=O)[O-] ZINC000917428267 624271144 /nfs/dbraw/zinc/27/11/44/624271144.db2.gz GEWZKJMEEJISCQ-UHFFFAOYSA-N 1 0 282.388 3.143 20 5 CGBDRO CS[C@@H]1CCC[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000921939701 625938183 /nfs/dbraw/zinc/93/81/83/625938183.db2.gz FASILEKSFVFJGY-DZGCQCFKSA-N 1 0 294.420 3.401 20 5 CGBDRO CC[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000922538868 626011548 /nfs/dbraw/zinc/01/15/48/626011548.db2.gz YEDYSBVQHAEGGV-WWGRRREGSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000755996078 626667402 /nfs/dbraw/zinc/66/74/02/626667402.db2.gz OWUXFEDOQBAHKG-JTQLQIEISA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1ncc(CC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000771904244 627743406 /nfs/dbraw/zinc/74/34/06/627743406.db2.gz UPKDJTZKKAVISM-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CCC2)n1 ZINC000774260320 627969730 /nfs/dbraw/zinc/96/97/30/627969730.db2.gz QBSHTWOSTQJJES-UONOGXRCSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776275049 628187641 /nfs/dbraw/zinc/18/76/41/628187641.db2.gz FSHMPIRBJGLTHG-KCXAZCMYSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776584999 628220900 /nfs/dbraw/zinc/22/09/00/628220900.db2.gz QTAGETCXTRCRHB-CJNGLKHVSA-N 1 0 292.379 3.140 20 5 CGBDRO CC(C)[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000776591681 628222062 /nfs/dbraw/zinc/22/20/62/628222062.db2.gz FOEFVDVRHPHBAF-MRXNPFEDSA-N 1 0 292.379 3.281 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+][C@@H]2CCCSC2)cc1 ZINC000783520135 628720971 /nfs/dbraw/zinc/72/09/71/628720971.db2.gz VDYWWKDMJDCRHZ-CQSZACIVSA-N 1 0 294.420 3.403 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(Cl)c1)CC1CC1 ZINC000783566622 628726719 /nfs/dbraw/zinc/72/67/19/628726719.db2.gz IWSMXWAXRUHPBN-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1ncsc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783621741 628732417 /nfs/dbraw/zinc/73/24/17/628732417.db2.gz SHTATXJOQOQIJZ-UHFFFAOYSA-N 1 0 297.767 3.303 20 5 CGBDRO Cc1ncc(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)s1 ZINC000783623030 628732949 /nfs/dbraw/zinc/73/29/49/628732949.db2.gz NYAGEXNGOBJEFD-UHFFFAOYSA-N 1 0 297.767 3.303 20 5 CGBDRO CC1(C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000783639645 628734245 /nfs/dbraw/zinc/73/42/45/628734245.db2.gz WXCBBZKKUBVEHV-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO C[C@H]([NH2+]CC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788646816 629070876 /nfs/dbraw/zinc/07/08/76/629070876.db2.gz DEHPQORCMFWNMK-JTQLQIEISA-N 1 0 263.341 3.018 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(C)(C)C1 ZINC000792872865 629389850 /nfs/dbraw/zinc/38/98/50/629389850.db2.gz QEEJNGQLEDGMSU-SNVBAGLBSA-N 1 0 293.323 3.123 20 5 CGBDRO Cc1nn(C[N@@H+]2CCC[C@@H](C(C)(C)C)C2)c(C)c1[N+](=O)[O-] ZINC000794704371 629569325 /nfs/dbraw/zinc/56/93/25/629569325.db2.gz HBLOCMRYDUEGLM-CYBMUJFWSA-N 1 0 294.399 3.124 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH+](C2CCC2)C2CCC2)cc1 ZINC000795470914 629679960 /nfs/dbraw/zinc/67/99/60/629679960.db2.gz KKFLJHQMTDGXFL-MRXNPFEDSA-N 1 0 290.363 3.035 20 5 CGBDRO C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CCC(C)(C)C1 ZINC000796529916 629795211 /nfs/dbraw/zinc/79/52/11/629795211.db2.gz CSPSIZSQNPCFOG-GJZGRUSLSA-N 1 0 292.379 3.139 20 5 CGBDRO CN(CC1CC[NH+](C)CC1)c1cc(Cl)ccc1[N+](=O)[O-] ZINC000804431933 630526757 /nfs/dbraw/zinc/52/67/57/630526757.db2.gz ZNKFXSRAJCBLHP-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO CCC[C@]1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCOC1 ZINC000809703559 630786949 /nfs/dbraw/zinc/78/69/49/630786949.db2.gz MQFVQYCLXONBOR-AWEZNQCLSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000809707070 630788869 /nfs/dbraw/zinc/78/88/69/630788869.db2.gz QBPKUKWAPNISRU-PWSUYJOCSA-N 1 0 298.770 3.010 20 5 CGBDRO C[N@H+](CCCCNc1cccc(F)c1[N+](=O)[O-])C1CC1 ZINC000840317143 631572050 /nfs/dbraw/zinc/57/20/50/631572050.db2.gz ZMFXIOUDDFWYES-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815552873 631793622 /nfs/dbraw/zinc/79/36/22/631793622.db2.gz MKKKUBCGEHPCNK-ZJUUUORDSA-N 1 0 251.330 3.016 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1Cc2ccccc21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815576716 631798236 /nfs/dbraw/zinc/79/82/36/631798236.db2.gz WYRGUUKGYZJAIQ-BXUZGUMPSA-N 1 0 297.358 3.168 20 5 CGBDRO CC(=O)c1cc([N+](=O)[O-])ccc1OCCCCCCC[NH3+] ZINC000818619652 632342407 /nfs/dbraw/zinc/34/24/07/632342407.db2.gz ICCGDZZVASICKD-UHFFFAOYSA-N 1 0 294.351 3.085 20 5 CGBDRO CC(C)C(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000819257088 632413050 /nfs/dbraw/zinc/41/30/50/632413050.db2.gz SDZHCLUCOYQZPD-INIZCTEOSA-N 1 0 294.395 3.146 20 5 CGBDRO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819344025 632434665 /nfs/dbraw/zinc/43/46/65/632434665.db2.gz UEFQYBMPINSVAI-XJKSGUPXSA-N 1 0 292.379 3.353 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000865747228 632876806 /nfs/dbraw/zinc/87/68/06/632876806.db2.gz TURUSTOUOGOZOI-CQSZACIVSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1CCCC1 ZINC000866213030 633030902 /nfs/dbraw/zinc/03/09/02/633030902.db2.gz QEOCIYAJIYFIBF-JTQLQIEISA-N 1 0 266.316 3.197 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866270544 633055789 /nfs/dbraw/zinc/05/57/89/633055789.db2.gz YFUUPUSJEGFSIW-VHSXEESVSA-N 1 0 286.372 3.006 20 5 CGBDRO CCC[C@H](C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866365480 633103661 /nfs/dbraw/zinc/10/36/61/633103661.db2.gz HMHVGHLCLZQLEZ-BXUZGUMPSA-N 1 0 298.358 3.070 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000823996625 633178435 /nfs/dbraw/zinc/17/84/35/633178435.db2.gz MPUUZUHQGFAGDV-WCQYABFASA-N 1 0 298.770 3.295 20 5 CGBDRO COC1(C[C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CCC1 ZINC000866540933 633183472 /nfs/dbraw/zinc/18/34/72/633183472.db2.gz UGMZSTBZWWQWCH-CYBMUJFWSA-N 1 0 292.379 3.341 20 5 CGBDRO CC[C@@](C)(C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)OC ZINC000824743397 633282261 /nfs/dbraw/zinc/28/22/61/633282261.db2.gz BAHOUXSFESRMCK-ZDUSSCGKSA-N 1 0 286.759 3.153 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122567182 633440807 /nfs/dbraw/zinc/44/08/07/633440807.db2.gz HVVMFKWFDSDWQX-JKSUJKDBSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1OCCCCCCC[NH3+] ZINC000830321632 633849198 /nfs/dbraw/zinc/84/91/98/633849198.db2.gz UXOASLBZUHZBQY-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO CCOCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872015998 633936839 /nfs/dbraw/zinc/93/68/39/633936839.db2.gz BDKUQAKPILIJFQ-LLVKDONJSA-N 1 0 298.408 3.394 20 5 CGBDRO CCOCCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872026177 633946157 /nfs/dbraw/zinc/94/61/57/633946157.db2.gz YQBVBLYLNIKWOK-LLVKDONJSA-N 1 0 284.331 3.201 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872037307 633956725 /nfs/dbraw/zinc/95/67/25/633956725.db2.gz DIGXOZYXSULEKL-BDAKNGLRSA-N 1 0 272.345 3.136 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040835 633961400 /nfs/dbraw/zinc/96/14/00/633961400.db2.gz CRJVNDBHKPDTII-NXEZZACHSA-N 1 0 284.356 3.280 20 5 CGBDRO CC[C@@H](COC)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872040236 633961626 /nfs/dbraw/zinc/96/16/26/633961626.db2.gz YRAWPXZEADASRL-QWRGUYRKSA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872041946 633963953 /nfs/dbraw/zinc/96/39/53/633963953.db2.gz YAUQBVRSZSORMU-UWVGGRQHSA-N 1 0 284.356 3.280 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)C[C@@H](C)O ZINC000872059250 633980842 /nfs/dbraw/zinc/98/08/42/633980842.db2.gz CBPUAYAGONGHAL-MXWKQRLJSA-N 1 0 298.408 3.127 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073412 633995886 /nfs/dbraw/zinc/99/58/86/633995886.db2.gz QPTSVPSLBZJYDZ-VXGBXAGGSA-N 1 0 297.374 3.113 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872077998 634001769 /nfs/dbraw/zinc/00/17/69/634001769.db2.gz DDKYJHBWVGJUST-WDEREUQCSA-N 1 0 284.331 3.057 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080442 634004334 /nfs/dbraw/zinc/00/43/34/634004334.db2.gz XMAFLHXJNDDLMZ-NOOOWODRSA-N 1 0 296.342 3.198 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)COCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083796 634007768 /nfs/dbraw/zinc/00/77/68/634007768.db2.gz OWEKIAJYOKUMPE-WDEREUQCSA-N 1 0 296.342 3.200 20 5 CGBDRO CC(C)CC[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088573 634014788 /nfs/dbraw/zinc/01/47/88/634014788.db2.gz SHBNXJULBPZNPS-RYUDHWBXSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107238 634030118 /nfs/dbraw/zinc/03/01/18/634030118.db2.gz XNSVOTWFOAXJJF-MNOVXSKESA-N 1 0 296.342 3.200 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000872129519 634050391 /nfs/dbraw/zinc/05/03/91/634050391.db2.gz HOLVKPCKUZLHAN-AGIUHOORSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)(C)C ZINC000873066218 634241074 /nfs/dbraw/zinc/24/10/74/634241074.db2.gz QBUUVMDUWRVPGX-CQSZACIVSA-N 1 0 280.368 3.054 20 5 CGBDRO C[C@H]([NH2+]CC1=CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834834307 634252854 /nfs/dbraw/zinc/25/28/54/634252854.db2.gz AKGPHEIUSRRVJF-NSHDSACASA-N 1 0 275.352 3.328 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCS[C@H]1C ZINC000873134863 634254678 /nfs/dbraw/zinc/25/46/78/634254678.db2.gz VIYJQFUEKHBVBY-WCQYABFASA-N 1 0 280.393 3.195 20 5 CGBDRO Cc1c(C[NH2+]CC[C@]2(C)CC2(F)F)cccc1[N+](=O)[O-] ZINC000873137796 634256159 /nfs/dbraw/zinc/25/61/59/634256159.db2.gz HKHKNNXXNNKZAX-CYBMUJFWSA-N 1 0 284.306 3.428 20 5 CGBDRO COC(C)(C)C[N@H+](C)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000876809778 634903826 /nfs/dbraw/zinc/90/38/26/634903826.db2.gz XDVCEDDVPGDRKQ-UHFFFAOYSA-N 1 0 280.368 3.068 20 5 CGBDRO O=[N+]([O-])c1cnn(C2CC([NH2+]CCC3CCCCC3)C2)c1 ZINC000876916604 634928386 /nfs/dbraw/zinc/92/83/86/634928386.db2.gz WJUARQBBBQCFHN-UHFFFAOYSA-N 1 0 292.383 3.055 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000126719812 635197934 /nfs/dbraw/zinc/19/79/34/635197934.db2.gz RERWYJBAKNGILK-INIZCTEOSA-N 1 0 292.379 3.331 20 5 CGBDRO CC1(C)CO[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877806157 635209454 /nfs/dbraw/zinc/20/94/54/635209454.db2.gz UUOICKIRGZVQRO-LLVKDONJSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848546701 636599675 /nfs/dbraw/zinc/59/96/75/636599675.db2.gz CLXWAXFCPNUXNY-SUNKGSAMSA-N 1 0 260.337 3.360 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C=CCC1 ZINC000883239234 636608698 /nfs/dbraw/zinc/60/86/98/636608698.db2.gz ZUGVKDSNDSANRW-OMDQHUAHSA-N 1 0 258.321 3.164 20 5 CGBDRO C=C/C=C/CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000883269176 636639565 /nfs/dbraw/zinc/63/95/65/636639565.db2.gz AXFVOEGRSIEBLQ-ITKZLYELSA-N 1 0 278.327 3.387 20 5 CGBDRO CC[C@H](CSC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000132675046 636829011 /nfs/dbraw/zinc/82/90/11/636829011.db2.gz YQVCNZPUCHTPHK-GFCCVEGCSA-N 1 0 268.382 3.134 20 5 CGBDRO CCC([NH3+])(CC)CNc1ccc2cc([N+](=O)[O-])ccc2n1 ZINC000133492871 636904972 /nfs/dbraw/zinc/90/49/72/636904972.db2.gz OEVLPKHXOCVTOD-UHFFFAOYSA-N 1 0 288.351 3.072 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000850467913 637078495 /nfs/dbraw/zinc/07/84/95/637078495.db2.gz AVIHDXXGSCFVJF-HZMBPMFUSA-N 1 0 278.352 3.443 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@H]2C[C@H]21)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850531575 637108633 /nfs/dbraw/zinc/10/86/33/637108633.db2.gz MCQXPRVNIXVWPZ-DOERSZECSA-N 1 0 289.379 3.264 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)C1CC1 ZINC000850557648 637121337 /nfs/dbraw/zinc/12/13/37/637121337.db2.gz OFRUXWWZFOCZPH-MEBBXXQBSA-N 1 0 277.368 3.262 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886106990 637416784 /nfs/dbraw/zinc/41/67/84/637416784.db2.gz HRUJZLHPNPFAND-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000886123265 637425301 /nfs/dbraw/zinc/42/53/01/637425301.db2.gz VOQILBSZPQSXSE-MRVWCRGKSA-N 1 0 275.352 3.000 20 5 CGBDRO CCC[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886141038 637433238 /nfs/dbraw/zinc/43/32/38/637433238.db2.gz VZAUTRHSAALTRN-JSGCOSHPSA-N 1 0 277.368 3.438 20 5 CGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886141040 637433427 /nfs/dbraw/zinc/43/34/27/637433427.db2.gz VZAUTRHSAALTRN-TZMCWYRMSA-N 1 0 277.368 3.438 20 5 CGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886158359 637441005 /nfs/dbraw/zinc/44/10/05/637441005.db2.gz XSGVJQXORPPORM-WCQYABFASA-N 1 0 263.341 3.000 20 5 CGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1cccc([N+](=O)[O-])c1 ZINC000924798350 638405677 /nfs/dbraw/zinc/40/56/77/638405677.db2.gz NAYQVSMQVGNPBT-AVHCAHFISA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H]([NH2+]C1CC2(C1)CO[C@@H](C)C2)c1ccccc1[N+](=O)[O-] ZINC000925691662 638569614 /nfs/dbraw/zinc/56/96/14/638569614.db2.gz JKSYVOCFIVNBHL-HSWOEZIZSA-N 1 0 290.363 3.203 20 5 CGBDRO COC1CC(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000859090516 639075948 /nfs/dbraw/zinc/07/59/48/639075948.db2.gz RZNJRJXIKSEOHD-UHFFFAOYSA-N 1 0 292.379 3.230 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2cccnc2)cc1[N+](=O)[O-] ZINC000934225147 639562315 /nfs/dbraw/zinc/56/23/15/639562315.db2.gz BKRBOTBYHBODTO-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040718144 639896230 /nfs/dbraw/zinc/89/62/30/639896230.db2.gz KCULGFATBGNAKX-SECBINFHSA-N 1 0 254.717 3.090 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC=CO2)c(Cl)c1 ZINC000189554134 640199021 /nfs/dbraw/zinc/19/90/21/640199021.db2.gz GQRJKGNFHATFOC-GFCCVEGCSA-N 1 0 282.727 3.031 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774140 640802716 /nfs/dbraw/zinc/80/27/16/640802716.db2.gz CCMMYSULSNVPFM-SNVBAGLBSA-N 1 0 252.289 3.108 20 5 CGBDRO [NH3+]Cc1cccn1-c1ccc2ccc3cccnc3c2n1 ZINC001156724108 805727975 /nfs/dbraw/zinc/72/79/75/805727975.db2.gz XAUJXYOBHMNPJE-UHFFFAOYSA-N 1 0 274.327 3.032 20 5 CGBDRO CC1([NH3+])CN(C(=O)c2c3ccccc3cc3ccccc32)C1 ZINC001157665301 805849842 /nfs/dbraw/zinc/84/98/42/805849842.db2.gz PNLVJKXEDMBROG-UHFFFAOYSA-N 1 0 290.366 3.166 20 5 CGBDRO c1cnc2c(c1)cc(NC1=CCC[NH2+]CC1)c1cccnc12 ZINC001159735558 806163467 /nfs/dbraw/zinc/16/34/67/806163467.db2.gz DYJKSUYOPFKMRS-UHFFFAOYSA-N 1 0 290.370 3.462 20 5 CGBDRO [NH3+]Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001159736023 806163595 /nfs/dbraw/zinc/16/35/95/806163595.db2.gz XWHGKPYKGDQMGA-UHFFFAOYSA-N 1 0 277.711 3.451 20 5 CGBDRO O=[N+]([O-])c1cc(O)cc(Nc2ccc([C@H]3CC[NH2+]C3)cc2)c1 ZINC001159775027 806169397 /nfs/dbraw/zinc/16/93/97/806169397.db2.gz AETZKUNHENZQGT-LBPRGKRZSA-N 1 0 299.330 3.121 20 5 CGBDRO CCC[N@H+](CC)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475177 806412996 /nfs/dbraw/zinc/41/29/96/806412996.db2.gz BHBZNJFCDOJTJF-UHFFFAOYSA-N 1 0 291.395 3.296 20 5 CGBDRO Cc1ncccc1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532582 806444373 /nfs/dbraw/zinc/44/43/73/806444373.db2.gz PABSVZAPMSHGKE-LBPRGKRZSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])Nc1cccc(CC[NH3+])c1 ZINC001254547600 806447502 /nfs/dbraw/zinc/44/75/02/806447502.db2.gz JKJABDCASFTCCG-ZDUSSCGKSA-N 1 0 299.374 3.139 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](F)CC1 ZINC001254551451 806447565 /nfs/dbraw/zinc/44/75/65/806447565.db2.gz BENZMLRVKYYNAN-TZMCWYRMSA-N 1 0 280.343 3.350 20 5 CGBDRO Cc1cnc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])s1 ZINC001254547475 806447587 /nfs/dbraw/zinc/44/75/87/806447587.db2.gz ILWGZFISPPLKDT-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC[C@H](F)C1 ZINC001254553353 806448991 /nfs/dbraw/zinc/44/89/91/806448991.db2.gz VIIGVJLNHPGVCP-JSGCOSHPSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)C1CCCC1 ZINC001254560986 806451148 /nfs/dbraw/zinc/45/11/48/806451148.db2.gz CQHSMMCRWPZEGK-LBPRGKRZSA-N 1 0 262.353 3.400 20 5 CGBDRO Cc1ccc(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254567419 806452810 /nfs/dbraw/zinc/45/28/10/806452810.db2.gz NRDBHJYQJVJTEX-KRWDZBQOSA-N 1 0 296.370 3.203 20 5 CGBDRO CC(C)CC[C@H](C)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254576325 806454184 /nfs/dbraw/zinc/45/41/84/806454184.db2.gz VNKHWIWPQCKFEL-SWLSCSKDSA-N 1 0 276.380 3.476 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccnc1 ZINC001254574880 806454811 /nfs/dbraw/zinc/45/48/11/806454811.db2.gz LSOZJYRVBXMMQT-DOTOQJQBSA-N 1 0 297.358 3.198 20 5 CGBDRO CC(C)(CC1CC1)[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254585349 806455884 /nfs/dbraw/zinc/45/58/84/806455884.db2.gz DWBXOEVFKMALMS-CQSZACIVSA-N 1 0 274.364 3.230 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596417 806457471 /nfs/dbraw/zinc/45/74/71/806457471.db2.gz DNTMYNKDAFGFBY-HSMVNMDESA-N 1 0 274.364 3.325 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602633 806458218 /nfs/dbraw/zinc/45/82/18/806458218.db2.gz HFFYRLIPVXXXDB-GOEBONIOSA-N 1 0 274.364 3.327 20 5 CGBDRO C[N@H+](Cc1cccs1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601345 806458692 /nfs/dbraw/zinc/45/86/92/806458692.db2.gz YKECROYTXCPJGX-CQSZACIVSA-N 1 0 288.372 3.256 20 5 CGBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000695110359 799825810 /nfs/dbraw/zinc/82/58/10/799825810.db2.gz HQCLVADGBDDXGR-BXUZGUMPSA-N 1 0 280.368 3.043 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1OC[C@@H]1CCCC[NH2+]C1 ZINC000697089966 799842455 /nfs/dbraw/zinc/84/24/55/799842455.db2.gz ZVZWWCFDUCVDRR-SNVBAGLBSA-N 1 0 284.743 3.017 20 5 CGBDRO Cc1c(C[NH2+]C[C@H](C)CC(F)F)cccc1[N+](=O)[O-] ZINC000697348140 799845388 /nfs/dbraw/zinc/84/53/88/799845388.db2.gz QWCHMQNXGRQRNS-SECBINFHSA-N 1 0 272.295 3.284 20 5 CGBDRO CC1(O)CCC([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000703529129 799925346 /nfs/dbraw/zinc/92/53/46/799925346.db2.gz DLJHVXDWFLHYRT-UHFFFAOYSA-N 1 0 298.770 3.031 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001163618708 806793580 /nfs/dbraw/zinc/79/35/80/806793580.db2.gz VJDWYXWTSDZGPU-DZGCQCFKSA-N 1 0 289.379 3.332 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CCCS2)cs1 ZINC000715665458 800141831 /nfs/dbraw/zinc/14/18/31/800141831.db2.gz CUOAWIIWSQNBSV-JTQLQIEISA-N 1 0 272.395 3.032 20 5 CGBDRO CC(C)[NH+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])CC1 ZINC000809346519 800429467 /nfs/dbraw/zinc/42/94/67/800429467.db2.gz BGWXYUCXQHTETD-UHFFFAOYSA-N 1 0 299.321 3.063 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC1CC[NH+](C(C)C)CC1 ZINC001166615660 807069482 /nfs/dbraw/zinc/06/94/82/807069482.db2.gz GXNWFWFFEKEGCL-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO CCC[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CCCCC1 ZINC001167145312 807161450 /nfs/dbraw/zinc/16/14/50/807161450.db2.gz CCCWSUNNTRNRAY-UHFFFAOYSA-N 1 0 294.399 3.121 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N1C(C)(C)CC([NH3+])CC1(C)C ZINC001167625083 807217783 /nfs/dbraw/zinc/21/77/83/807217783.db2.gz RJVSKZKOFNQUIA-UHFFFAOYSA-N 1 0 291.395 3.388 20 5 CGBDRO CC(C)C([NH2+]Cc1csc([N+](=O)[O-])c1)C(C)C ZINC001168540750 807441566 /nfs/dbraw/zinc/44/15/66/807441566.db2.gz CYZUSNRTRLMDHG-UHFFFAOYSA-N 1 0 256.371 3.427 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC001168976729 807544580 /nfs/dbraw/zinc/54/45/80/807544580.db2.gz FTAOCWWDFKFBQK-TZMCWYRMSA-N 1 0 254.374 3.134 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1F ZINC001168979918 807545677 /nfs/dbraw/zinc/54/56/77/807545677.db2.gz CEQCMBAXGNQNDJ-ZOWXZIJZSA-N 1 0 280.343 3.312 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(OC)c1 ZINC001168984997 807546637 /nfs/dbraw/zinc/54/66/37/807546637.db2.gz BXTWLGANHXVMSV-IVMMDQJWSA-N 1 0 292.379 3.181 20 5 CGBDRO CC(C)c1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168987204 807547163 /nfs/dbraw/zinc/54/71/63/807547163.db2.gz HMZZEYUTLPPGPV-WBVHZDCISA-N 1 0 290.407 3.388 20 5 CGBDRO CCOc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168983381 807547244 /nfs/dbraw/zinc/54/72/44/807547244.db2.gz JTTHZIFDGODDEF-UMVBOHGHSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC001168989299 807548226 /nfs/dbraw/zinc/54/82/26/807548226.db2.gz VQZWFAQJSDMDKJ-HUUCEWRRSA-N 1 0 268.401 3.382 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H](c2ccccc2F)C2CC2)C1 ZINC001168987729 807548233 /nfs/dbraw/zinc/54/82/33/807548233.db2.gz JVGHXEJKHDUETE-AXAPSJFSSA-N 1 0 292.354 3.312 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3c(F)cccc32)C1 ZINC001168990829 807548377 /nfs/dbraw/zinc/54/83/77/807548377.db2.gz DTWLKLISDNAFIG-XHBSWPGZSA-N 1 0 292.354 3.238 20 5 CGBDRO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001169000341 807548884 /nfs/dbraw/zinc/54/88/84/807548884.db2.gz XMNIOUQZVSULFF-RRFJBIMHSA-N 1 0 276.380 3.399 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(Cl)ccn1 ZINC001169006259 807550031 /nfs/dbraw/zinc/55/00/31/807550031.db2.gz WWMVIYQYLQSLCK-ZYHUDNBSSA-N 1 0 297.786 3.005 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]2c2ccc(Cl)cc2)C1 ZINC001169008586 807551565 /nfs/dbraw/zinc/55/15/65/807551565.db2.gz SRIZLIXFNVLPPB-KJEVXHAQSA-N 1 0 294.782 3.231 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011097 807551937 /nfs/dbraw/zinc/55/19/37/807551937.db2.gz IKEGUWPUUQDOHC-UONOGXRCSA-N 1 0 266.385 3.088 20 5 CGBDRO CCC[N@H+](Cc1ccccc1)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169021862 807554103 /nfs/dbraw/zinc/55/41/03/807554103.db2.gz APBSEVUOLXUZJL-CVEARBPZSA-N 1 0 276.380 3.344 20 5 CGBDRO CC[N@H+](Cc1ccccc1F)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038976 807556686 /nfs/dbraw/zinc/55/66/86/807556686.db2.gz LZSPKMHZQDZTGI-OCCSQVGLSA-N 1 0 280.343 3.093 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CC[C@H](c3ccc(F)cc3)C2)C1 ZINC001169039773 807557225 /nfs/dbraw/zinc/55/72/25/807557225.db2.gz TUDIIPINMGDZNM-IVMMDQJWSA-N 1 0 292.354 3.060 20 5 CGBDRO CCCCC[NH2+][C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170298130 807819638 /nfs/dbraw/zinc/81/96/38/807819638.db2.gz FXZMSVQLHNWJQP-LBPRGKRZSA-N 1 0 280.368 3.314 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328293 807825910 /nfs/dbraw/zinc/82/59/10/807825910.db2.gz IXQRBLOZILYMTN-STQMWFEESA-N 1 0 292.379 3.266 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCCC23CC3)c([N+](=O)[O-])c1 ZINC001170329783 807826433 /nfs/dbraw/zinc/82/64/33/807826433.db2.gz ULRDJZBZEVTIKP-LBPRGKRZSA-N 1 0 290.363 3.163 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001170328292 807827013 /nfs/dbraw/zinc/82/70/13/807827013.db2.gz IXQRBLOZILYMTN-QWHCGFSZSA-N 1 0 292.379 3.266 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@H+](C)C2CCCC2)c([N+](=O)[O-])c1 ZINC001170348185 807828715 /nfs/dbraw/zinc/82/87/15/807828715.db2.gz VPOLKIPEIDJLCC-GFCCVEGCSA-N 1 0 292.379 3.409 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001171538053 808088425 /nfs/dbraw/zinc/08/84/25/808088425.db2.gz BPXPJJHCBTVZGK-WFASDCNBSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]CC1CCC1)CC2 ZINC001172895583 808474602 /nfs/dbraw/zinc/47/46/02/808474602.db2.gz FVSZGEFNGXEANL-OAHLLOKOSA-N 1 0 274.364 3.232 20 5 CGBDRO CCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172895984 808474877 /nfs/dbraw/zinc/47/48/77/808474877.db2.gz KJBFBELQNBJFQG-AWEZNQCLSA-N 1 0 262.353 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[C@@H](F)C1)CC2 ZINC001172897131 808474941 /nfs/dbraw/zinc/47/49/41/808474941.db2.gz XMLSZONIQDRMKW-KFWWJZLASA-N 1 0 292.354 3.322 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH+]1CCC(F)CC1)CC2 ZINC001172909240 808475866 /nfs/dbraw/zinc/47/58/66/808475866.db2.gz RJIHQDYPPNQRPC-HNNXBMFYSA-N 1 0 292.354 3.276 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC13CCC3)CC2 ZINC001172904186 808476070 /nfs/dbraw/zinc/47/60/70/808476070.db2.gz MYFDMAMJCVKOBV-GDBMZVCRSA-N 1 0 286.375 3.374 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH+]1CC3(CCC3)C1)CC2 ZINC001172904464 808476091 /nfs/dbraw/zinc/47/60/91/808476091.db2.gz NPWCZGQSEOLASC-OAHLLOKOSA-N 1 0 286.375 3.328 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899038 808476250 /nfs/dbraw/zinc/47/62/50/808476250.db2.gz SELSFPUGPXOTCL-DOMZBBRYSA-N 1 0 276.380 3.478 20 5 CGBDRO CC1(C)C[NH+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172909950 808476435 /nfs/dbraw/zinc/47/64/35/808476435.db2.gz VYZBIUGSPHHOEJ-AWEZNQCLSA-N 1 0 274.364 3.184 20 5 CGBDRO CC(C)[N@H+](C)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172907916 808476505 /nfs/dbraw/zinc/47/65/05/808476505.db2.gz JQNVILZXDAWRBY-AWEZNQCLSA-N 1 0 262.353 3.182 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CCC[C@@H](F)C1)CC2 ZINC001172908508 808476629 /nfs/dbraw/zinc/47/66/29/808476629.db2.gz DAQSMVQYKKXEKT-HUUCEWRRSA-N 1 0 292.354 3.276 20 5 CGBDRO CC[N@H+]([C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-])C1CC1 ZINC001173184399 808533718 /nfs/dbraw/zinc/53/37/18/808533718.db2.gz MKQNIBQKVJMRSV-JTQLQIEISA-N 1 0 296.342 3.158 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC(F)CC1 ZINC001173210040 808537933 /nfs/dbraw/zinc/53/79/33/808537933.db2.gz GZASVYPGSAPHRM-LMWSTFAQSA-N 1 0 280.343 3.396 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(C)(C)C1 ZINC001173224945 808541046 /nfs/dbraw/zinc/54/10/46/808541046.db2.gz AARMFNJERYEDLA-LBPRGKRZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC001173225293 808541326 /nfs/dbraw/zinc/54/13/26/808541326.db2.gz JEZSWQUQDHKBBB-BPLDGKMQSA-N 1 0 274.364 3.258 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCc1ccccn1 ZINC001173233160 808543009 /nfs/dbraw/zinc/54/30/09/808543009.db2.gz HEQOCNMLWZSTHU-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC[C@@]23CCCOC3)c1 ZINC001177008375 809773071 /nfs/dbraw/zinc/77/30/71/809773071.db2.gz JAMXNGMQKIEYRF-INIZCTEOSA-N 1 0 290.363 3.130 20 5 CGBDRO Cc1cc(NCC[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC001186681592 810356273 /nfs/dbraw/zinc/35/62/73/810356273.db2.gz UDDFCCZDOMLRKF-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001196176093 811323693 /nfs/dbraw/zinc/32/36/93/811323693.db2.gz PURGOMRRFKAHSE-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@@H](C)[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC001202495086 812109176 /nfs/dbraw/zinc/10/91/76/812109176.db2.gz MJEOUODIXYMDTR-BDJLRTHQSA-N 1 0 294.395 3.362 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCc1ccc2ccccc2c1 ZINC001205770119 813072505 /nfs/dbraw/zinc/07/25/05/813072505.db2.gz ZQFREGSUNFDDPX-AWEZNQCLSA-N 1 0 258.385 3.451 20 5 CGBDRO C[C@@H](OCC[NH+]1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC001206709519 813403640 /nfs/dbraw/zinc/40/36/40/813403640.db2.gz NIUVBKSUTAIPHZ-CYBMUJFWSA-N 1 0 278.352 3.158 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001217956861 816016643 /nfs/dbraw/zinc/01/66/43/816016643.db2.gz GVHGRWFEBJCSHH-OTVXOJSOSA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(OC2CC[NH2+]CC2)cc1 ZINC001217963763 816019852 /nfs/dbraw/zinc/01/98/52/816019852.db2.gz PSFDWPBSWAMNGL-UHFFFAOYSA-N 1 0 298.342 3.393 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@H]1Oc1ccc([N+](=O)[O-])cc1Cl ZINC001217986242 816034015 /nfs/dbraw/zinc/03/40/15/816034015.db2.gz KWZNUXZYRAWJAC-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001217986444 816034391 /nfs/dbraw/zinc/03/43/91/816034391.db2.gz LPVMKBRFIAALLZ-CABZTGNLSA-N 1 0 284.743 3.015 20 5 CGBDRO Oc1c2ccccc2c(O[C@@H]2CC[NH2+]C2)c2ccccc12 ZINC001218038553 816069707 /nfs/dbraw/zinc/06/97/07/816069707.db2.gz MAUNVFCBMPLBFB-GFCCVEGCSA-N 1 0 279.339 3.439 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2c(Cl)cc(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218040278 816070676 /nfs/dbraw/zinc/07/06/76/816070676.db2.gz ZJGGORZFAWPASV-HTRCEHHLSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218048599 816074437 /nfs/dbraw/zinc/07/44/37/816074437.db2.gz DNBPYPFXKNZHES-DGCLKSJQSA-N 1 0 292.379 3.412 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218084961 816089984 /nfs/dbraw/zinc/08/99/84/816089984.db2.gz MGWNUVHEVBUZRJ-CYBMUJFWSA-N 1 0 296.754 3.159 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)CC1 ZINC001218186514 816118777 /nfs/dbraw/zinc/11/87/77/816118777.db2.gz BGIDTVLHKBGLBG-XYPYZODXSA-N 1 0 298.770 3.466 20 5 CGBDRO CC1(C)C[NH2+]CC[C@@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001218316399 816164523 /nfs/dbraw/zinc/16/45/23/816164523.db2.gz QYWKBUPVGRRVAB-LBPRGKRZSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1c2c(O)cccc2cc2cccc(O)c21 ZINC001218386032 816185399 /nfs/dbraw/zinc/18/53/99/816185399.db2.gz JPRACZDTKKEAMZ-BMIGLBTASA-N 1 0 295.338 3.143 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1c2ccccc2c(O)c2ccccc21 ZINC001218390785 816188031 /nfs/dbraw/zinc/18/80/31/816188031.db2.gz YXZNPDRPZJWOTE-BDJLRTHQSA-N 1 0 279.339 3.438 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@@H]1C[NH2+]CCC12CC2 ZINC001218400874 816194669 /nfs/dbraw/zinc/19/46/69/816194669.db2.gz ZMCNRHOUTJGXDN-OAHLLOKOSA-N 1 0 298.342 3.269 20 5 CGBDRO CC(C)(C)c1ccc(O[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218441268 816214042 /nfs/dbraw/zinc/21/40/42/816214042.db2.gz DGMGXDKZUYDNCP-HCKVZZMMSA-N 1 0 290.363 3.022 20 5 CGBDRO Cc1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001218488901 816244288 /nfs/dbraw/zinc/24/42/88/816244288.db2.gz ZRTBDBIQBBPFRW-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCc1ccc2c(c1)CCCC2 ZINC001223941005 816706809 /nfs/dbraw/zinc/70/68/09/816706809.db2.gz RIYZGOMXCKRGMW-CQSZACIVSA-N 1 0 262.417 3.177 20 5 CGBDRO Cc1oc(-c2cccs2)nc1CO[C@@H](C)C[N+](C)(C)C ZINC001224226903 816756675 /nfs/dbraw/zinc/75/66/75/816756675.db2.gz BLBWSRWTRJATCB-NSHDSACASA-N 1 0 295.428 3.323 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCC[C@H](C)c1ccccc1 ZINC001224995814 816925299 /nfs/dbraw/zinc/92/52/99/816925299.db2.gz XILUFWXXZGMZOO-GJZGRUSLSA-N 1 0 250.406 3.292 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1C(F)(F)F ZINC001225219438 816965790 /nfs/dbraw/zinc/96/57/90/816965790.db2.gz RUUROMSMFCGLRS-JTQLQIEISA-N 1 0 262.295 3.179 20 5 CGBDRO CCN(CC)c1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001225236566 816973783 /nfs/dbraw/zinc/97/37/83/816973783.db2.gz BEQFMIYILJDPFA-CQSZACIVSA-N 1 0 265.421 3.006 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC001226761842 817456331 /nfs/dbraw/zinc/45/63/31/817456331.db2.gz HJRZFEVHLQIDEU-LLVKDONJSA-N 1 0 284.743 3.110 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc2cc(O)ccc21 ZINC001226857485 817486152 /nfs/dbraw/zinc/48/61/52/817486152.db2.gz DAWKSBJAXAIUAN-LBPRGKRZSA-O 1 0 260.357 3.019 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(C)c([N+](=O)[O-])c1 ZINC001226949882 817514920 /nfs/dbraw/zinc/51/49/20/817514920.db2.gz AQXQXJXEJSQNNZ-LBPRGKRZSA-N 1 0 266.341 3.012 20 5 CGBDRO Cc1ccc(OC2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001226949942 817515276 /nfs/dbraw/zinc/51/52/76/817515276.db2.gz COPXXZDADUTCGH-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001226993413 817528080 /nfs/dbraw/zinc/52/80/80/817528080.db2.gz WGJBZJSDKCBKQB-AWEZNQCLSA-N 1 0 278.352 3.155 20 5 CGBDRO CC[C@H](C)OC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227414183 817643917 /nfs/dbraw/zinc/64/39/17/817643917.db2.gz OPACITZCWKGFSB-KBPBESRZSA-N 1 0 294.415 3.115 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(Cl)c2cccnc12 ZINC001227520335 817663039 /nfs/dbraw/zinc/66/30/39/817663039.db2.gz FIKSMOOWPXDPJU-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228002375 817779303 /nfs/dbraw/zinc/77/93/03/817779303.db2.gz MIRUHKUNVQJBRJ-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1c(Cl)cccc1[N+](=O)[O-] ZINC001228002376 817779759 /nfs/dbraw/zinc/77/97/59/817779759.db2.gz MIRUHKUNVQJBRJ-SNVBAGLBSA-N 1 0 286.759 3.357 20 5 CGBDRO CCOc1cc(C)c(O[C@@H](C)C[N+](C)(C)C)c(F)c1F ZINC001228360242 817889743 /nfs/dbraw/zinc/88/97/43/817889743.db2.gz ZNXPTQMSTGCWMI-NSHDSACASA-N 1 0 288.358 3.145 20 5 CGBDRO COc1cccc2c(O[C@@H](C)C[N+](C)(C)C)cc(C)nc12 ZINC001228501865 817923661 /nfs/dbraw/zinc/92/36/61/817923661.db2.gz SXRHTQLUOQUSED-ZDUSSCGKSA-N 1 0 289.399 3.025 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CCC[N@@H+](C(C)C)C1 ZINC001228570297 817940533 /nfs/dbraw/zinc/94/05/33/817940533.db2.gz BFVSXALRUUUTMY-HNNXBMFYSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1ccc(OC(C)C)cc1O[C@@H](C)C[N+](C)(C)C ZINC001228729055 817990159 /nfs/dbraw/zinc/99/01/59/817990159.db2.gz YBPZBWUCSHEGJE-AWEZNQCLSA-N 1 0 266.405 3.256 20 5 CGBDRO CSc1ccc(F)c(O[C@@H](C)C[N+](C)(C)C)c1F ZINC001234934609 818956678 /nfs/dbraw/zinc/95/66/78/818956678.db2.gz JTYGJRHPHFVQEF-VIFPVBQESA-N 1 0 276.372 3.160 20 5 CGBDRO CCN(CCC[NH+]1CCCC1)c1cc(C)ccc1[N+](=O)[O-] ZINC001472759714 937107531 /nfs/dbraw/zinc/10/75/31/937107531.db2.gz NJMNVTALVBXDMO-UHFFFAOYSA-N 1 0 291.395 3.215 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC000227859413 927544440 /nfs/dbraw/zinc/54/44/40/927544440.db2.gz AOOTWWBNWNGKSH-AVRGHOLYSA-N 1 0 292.379 3.043 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)C(C)(C)C1 ZINC001459921604 937506704 /nfs/dbraw/zinc/50/67/04/937506704.db2.gz GTPGPYXWYRPEAH-LBPRGKRZSA-N 1 0 292.379 3.471 20 5 CGBDRO CC[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC001459982443 937509487 /nfs/dbraw/zinc/50/94/87/937509487.db2.gz GXDOTFSDOIFWRM-JSGCOSHPSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[N@H+]1[C@H](C)CN([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC001460326228 937526428 /nfs/dbraw/zinc/52/64/28/937526428.db2.gz ABGWIXFEWSWVIX-MJBXVCDLSA-N 1 0 291.395 3.070 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001229376833 932142112 /nfs/dbraw/zinc/14/21/12/932142112.db2.gz KZVGKLMFZRYYAZ-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO CC[NH+]1CCC(Oc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC001229376141 932142669 /nfs/dbraw/zinc/14/26/69/932142669.db2.gz FALXAOXRSXQKCD-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1ccc(OC2CCC([NH+](C)C)CC2)c([N+](=O)[O-])c1 ZINC001230143882 932535962 /nfs/dbraw/zinc/53/59/62/932535962.db2.gz QGEKKEIJQPWKOC-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1ccc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c([N+](=O)[O-])c1 ZINC001230146485 932536401 /nfs/dbraw/zinc/53/64/01/932536401.db2.gz PSYJJNGLLNAVOR-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2nccc3c4ccccc4ccc32)C1 ZINC001230199574 932539715 /nfs/dbraw/zinc/53/97/15/932539715.db2.gz BWJCZHVCCGDOFQ-AWEZNQCLSA-N 1 0 278.355 3.471 20 5 CGBDRO CC(=O)c1cc2c(cc1O[C@@H](C)C[N+](C)(C)C)CCCC2 ZINC001230790630 932624841 /nfs/dbraw/zinc/62/48/41/932624841.db2.gz OOVGQAOZUMHYJW-ZDUSSCGKSA-N 1 0 290.427 3.242 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@H]1Nc1ccc(F)cc1[N+](=O)[O-] ZINC001322680116 934329159 /nfs/dbraw/zinc/32/91/59/934329159.db2.gz DVYQEOOIAOPTDQ-YPMHNXCESA-N 1 0 281.331 3.019 20 5 CGBDRO CCC1(CC)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001473221867 937798075 /nfs/dbraw/zinc/79/80/75/937798075.db2.gz DLGJAKGCPAKFAA-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO Cc1ccc(C[N@H+](C)C[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC001473675759 937817196 /nfs/dbraw/zinc/81/71/96/937817196.db2.gz YYHXRBNOEMBDAP-ZDUSSCGKSA-N 1 0 262.353 3.381 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C/C=C/C1CC1 ZINC001327594797 935072863 /nfs/dbraw/zinc/07/28/63/935072863.db2.gz DNEXISBPDNPGLW-UFFNRZRYSA-N 1 0 276.336 3.220 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC(F)F)c(Cl)c1 ZINC001335015218 936125527 /nfs/dbraw/zinc/12/55/27/936125527.db2.gz FPZBFNMNWLKDNT-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001474029930 937836703 /nfs/dbraw/zinc/83/67/03/937836703.db2.gz ZPSPOHBWZCCDDG-GDBMZVCRSA-N 1 0 292.379 3.136 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C/C=C/c1ccccc1 ZINC001474131466 937841272 /nfs/dbraw/zinc/84/12/72/937841272.db2.gz JUXCLILWMDUFIX-RMKNXTFCSA-N 1 0 282.343 3.440 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC001474390990 937857184 /nfs/dbraw/zinc/85/71/84/937857184.db2.gz KOQVQQFITHAYIJ-HIFRSBDPSA-N 1 0 292.379 3.075 20 5 CGBDRO CCCN(CCC[NH+](C)C)c1ccc(Cl)cc1[N+](=O)[O-] ZINC001559169637 938221556 /nfs/dbraw/zinc/22/15/56/938221556.db2.gz QDACFGBAXQGSAL-UHFFFAOYSA-N 1 0 299.802 3.416 20 5 CGBDRO CCCCC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001560211267 938247265 /nfs/dbraw/zinc/24/72/65/938247265.db2.gz BVMCACMTESDOET-UHFFFAOYSA-N 1 0 278.352 3.286 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)NCc1cccc([N+](=O)[O-])c1C ZINC001560491706 938260232 /nfs/dbraw/zinc/26/02/32/938260232.db2.gz VHFZTWYHZISONI-ZDUSSCGKSA-N 1 0 293.411 3.113 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1[N+](=O)[O-] ZINC000337986135 214344175 /nfs/dbraw/zinc/34/41/75/214344175.db2.gz AHPNCISNOPHMAX-KBPBESRZSA-N 1 0 290.363 3.272 20 5 CGBDRO CC[C@@H](CN[C@H](C)c1cccc([N+](=O)[O-])c1)[NH+]1CCCC1 ZINC000173315556 529495686 /nfs/dbraw/zinc/49/56/86/529495686.db2.gz XURDPHQZOLBEFL-HIFRSBDPSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)c1 ZINC000591062040 346897622 /nfs/dbraw/zinc/89/76/22/346897622.db2.gz SHBDWEDTZWJZID-CQSZACIVSA-N 1 0 260.337 3.217 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000178165749 529589305 /nfs/dbraw/zinc/58/93/05/529589305.db2.gz YCQODMGHUYMTPU-AWEZNQCLSA-N 1 0 280.368 3.044 20 5 CGBDRO CCn1cc[nH+]c1NCc1ccc([N+](=O)[O-])cc1Cl ZINC000414302750 529587095 /nfs/dbraw/zinc/58/70/95/529587095.db2.gz OLQAHBIHCLGPLW-UHFFFAOYSA-N 1 0 280.715 3.077 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])[C@H]1C[C@@H]1C ZINC000414116581 529607646 /nfs/dbraw/zinc/60/76/46/529607646.db2.gz QWWNFOBYLWMETK-UBHSHLNASA-N 1 0 262.353 3.162 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1 ZINC000126429891 187238869 /nfs/dbraw/zinc/23/88/69/187238869.db2.gz WIDARTDARLMFGC-NSHDSACASA-N 1 0 268.382 3.168 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCCSCC ZINC000337317398 214000886 /nfs/dbraw/zinc/00/08/86/214000886.db2.gz XWZLKKFMWYMMSU-UHFFFAOYSA-N 1 0 298.408 3.226 20 5 CGBDRO C[C@@H]1CN(Cc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592187174 346970637 /nfs/dbraw/zinc/97/06/37/346970637.db2.gz HVPJIMVECHFUEB-CYBMUJFWSA-N 1 0 290.363 3.128 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592395436 346983269 /nfs/dbraw/zinc/98/32/69/346983269.db2.gz BHEWPPSKKJDHJR-SCRDCRAPSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)O[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000593055367 347033347 /nfs/dbraw/zinc/03/33/47/347033347.db2.gz KIVHCRCHZZUVND-MRXNPFEDSA-N 1 0 292.379 3.027 20 5 CGBDRO C[N@@H+](Cc1ccc(Br)cc1[N+](=O)[O-])CC1CC1 ZINC000425412181 529982720 /nfs/dbraw/zinc/98/27/20/529982720.db2.gz ZOHYTDGDUSNJSJ-UHFFFAOYSA-N 1 0 299.168 3.199 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000040624221 344964980 /nfs/dbraw/zinc/96/49/80/344964980.db2.gz WZANQRZSOBKQEK-CYBMUJFWSA-N 1 0 277.368 3.045 20 5 CGBDRO CC(C)C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000046061106 345033725 /nfs/dbraw/zinc/03/37/25/345033725.db2.gz ZOEKRBPMGOMXDO-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])s1)[N@@H+]1CCC[C@@H](C)C1 ZINC000048999738 345070423 /nfs/dbraw/zinc/07/04/23/345070423.db2.gz RXJNPWWOSBOQQO-MNOVXSKESA-N 1 0 283.397 3.189 20 5 CGBDRO CCCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051854758 345093061 /nfs/dbraw/zinc/09/30/61/345093061.db2.gz WWTNVQSWCGKBBJ-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CCC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000052280221 345101951 /nfs/dbraw/zinc/10/19/51/345101951.db2.gz KBNWLIRSWBQITQ-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059371119 345207141 /nfs/dbraw/zinc/20/71/41/345207141.db2.gz FFOLHCAKWCXDPM-AWEZNQCLSA-N 1 0 262.353 3.402 20 5 CGBDRO CCCC[NH+]1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000066371868 345291198 /nfs/dbraw/zinc/29/11/98/345291198.db2.gz BEHFCPQYQNQZHO-UHFFFAOYSA-N 1 0 277.368 3.271 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1cccs1 ZINC000076511118 345545294 /nfs/dbraw/zinc/54/52/94/345545294.db2.gz MKCITPUGKMTJPF-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CCCC1CC1 ZINC000076767744 345549219 /nfs/dbraw/zinc/54/92/19/345549219.db2.gz ZNEVOURJIXQXHE-QPJJXVBHSA-N 1 0 260.337 3.388 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090847430 345796336 /nfs/dbraw/zinc/79/63/36/345796336.db2.gz QCDBBXCYYUPLGV-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000090909946 345797043 /nfs/dbraw/zinc/79/70/43/345797043.db2.gz VYPSLKWUYKNSKX-AWEZNQCLSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000096610322 345903697 /nfs/dbraw/zinc/90/36/97/345903697.db2.gz XUKUZAMONKUMRD-NSHDSACASA-N 1 0 280.368 3.375 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000160546376 346171457 /nfs/dbraw/zinc/17/14/57/346171457.db2.gz JQRMSWZFHHWZCZ-IOASZLSFSA-N 1 0 292.379 3.105 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000593589365 347092667 /nfs/dbraw/zinc/09/26/67/347092667.db2.gz QOMGTQMEZKTGKD-ZDUSSCGKSA-N 1 0 280.368 3.136 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCS[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000310775628 346472295 /nfs/dbraw/zinc/47/22/95/346472295.db2.gz DQGNBWGAFUTBBE-KWBADKCTSA-N 1 0 266.366 3.139 20 5 CGBDRO Cc1cc(NC[C@@H]2CC[N@@H+](C(C)C)C2)c(F)cc1[N+](=O)[O-] ZINC000314127575 346481103 /nfs/dbraw/zinc/48/11/03/346481103.db2.gz JWDMUFIIIAGNEH-LBPRGKRZSA-N 1 0 295.358 3.185 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584724323 346710218 /nfs/dbraw/zinc/71/02/18/346710218.db2.gz BFFWCTYDGNFEAF-CORIIIEPSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000593681425 347103590 /nfs/dbraw/zinc/10/35/90/347103590.db2.gz GRUVEZNEZYIWSV-SNVBAGLBSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000593717441 347107767 /nfs/dbraw/zinc/10/77/67/347107767.db2.gz HGDNEZMAZJWGRC-RYUDHWBXSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)C[C@H](C)C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000589170008 346786150 /nfs/dbraw/zinc/78/61/50/346786150.db2.gz BHYMDDLZURLLHS-ZDUSSCGKSA-N 1 0 264.369 3.409 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594042204 347143476 /nfs/dbraw/zinc/14/34/76/347143476.db2.gz ICEJATMGXOFKPJ-JKSUJKDBSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1F)[C@H]1CCCCO1 ZINC000594045276 347144441 /nfs/dbraw/zinc/14/44/41/347144441.db2.gz UWPHOEGBRPIWDI-HUUCEWRRSA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1cnc(CC[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 ZINC000594523017 347189676 /nfs/dbraw/zinc/18/96/76/347189676.db2.gz VESGRKKBLXTMQU-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO CC(C)COCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594489873 347177128 /nfs/dbraw/zinc/17/71/28/347177128.db2.gz HCWUBIBCSYVROD-HNNXBMFYSA-N 1 0 292.379 3.234 20 5 CGBDRO C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccncc1 ZINC000594496652 347178187 /nfs/dbraw/zinc/17/81/87/347178187.db2.gz QGVUOXBOXJUDIA-BLLLJJGKSA-N 1 0 297.358 3.370 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C1CC1 ZINC000594502082 347180790 /nfs/dbraw/zinc/18/07/90/347180790.db2.gz CTUZWAIPQMOJKX-YGRLFVJLSA-N 1 0 260.337 3.218 20 5 CGBDRO COCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)CC1 ZINC000594514172 347184705 /nfs/dbraw/zinc/18/47/05/347184705.db2.gz HNPXGFONZQIEFU-JYRVWZFOSA-N 1 0 290.363 3.014 20 5 CGBDRO C[C@@H](Cc1ccccn1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000594516260 347186780 /nfs/dbraw/zinc/18/67/80/347186780.db2.gz VFIZGXASMMNZGQ-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)[C@@H]1CCCCO1 ZINC000594519833 347188366 /nfs/dbraw/zinc/18/83/66/347188366.db2.gz LTBIGSZGISMMEQ-CVEARBPZSA-N 1 0 292.379 3.341 20 5 CGBDRO CC1(C)C[C@]1(C)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594997294 347251920 /nfs/dbraw/zinc/25/19/20/347251920.db2.gz UDDBPTVRVFODMG-ZDUSSCGKSA-N 1 0 252.289 3.012 20 5 CGBDRO CC(C)(F)CC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000594973389 347246233 /nfs/dbraw/zinc/24/62/33/347246233.db2.gz SSKHVZMGTSVHTL-ALCCZGGFSA-N 1 0 266.316 3.336 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3ccc(O)cc32)cc1 ZINC000594980332 347248096 /nfs/dbraw/zinc/24/80/96/347248096.db2.gz POTPWZHHJHVUMK-MRXNPFEDSA-N 1 0 284.315 3.078 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)C1CC1 ZINC000595004119 347253675 /nfs/dbraw/zinc/25/36/75/347253675.db2.gz NRLSAGRZLHBHPR-VHSXEESVSA-N 1 0 264.325 3.053 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC1(C)C ZINC000595106829 347285083 /nfs/dbraw/zinc/28/50/83/347285083.db2.gz MMIFAIGFRPCVOY-STQMWFEESA-N 1 0 292.379 3.369 20 5 CGBDRO CO[C@@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])C1CCCC1 ZINC000595291019 347287159 /nfs/dbraw/zinc/28/71/59/347287159.db2.gz VVNWZGYGKCRXDY-INIZCTEOSA-N 1 0 292.379 3.232 20 5 CGBDRO CC(C)[C@H](C)[N@H+](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595289501 347287400 /nfs/dbraw/zinc/28/74/00/347287400.db2.gz SMKMQACOEVKRRA-JTQLQIEISA-N 1 0 254.305 3.210 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000595413635 347299414 /nfs/dbraw/zinc/29/94/14/347299414.db2.gz DLTSYNGFUDJMSY-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO COC1CC(CC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000595047179 347268773 /nfs/dbraw/zinc/26/87/73/347268773.db2.gz BORKXTLCSWQPNE-XIKARTHZSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1COC(C)(C)C1 ZINC000595051936 347269964 /nfs/dbraw/zinc/26/99/64/347269964.db2.gz XXYZIHRUXLCYHD-NEPJUHHUSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000595073530 347277426 /nfs/dbraw/zinc/27/74/26/347277426.db2.gz MWKSLDAUXYRYJD-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CC(C)(C)OCCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595076830 347278040 /nfs/dbraw/zinc/27/80/40/347278040.db2.gz MRXVCUYLQXBRGC-CQSZACIVSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccoc1)c1cccc([N+](=O)[O-])c1 ZINC000595075442 347278143 /nfs/dbraw/zinc/27/81/43/347278143.db2.gz BTXFTRPRTJFYEC-LLVKDONJSA-N 1 0 260.293 3.081 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595079243 347279025 /nfs/dbraw/zinc/27/90/25/347279025.db2.gz IYTYNKPZSGPMAW-LALPHHSUSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000595087827 347280303 /nfs/dbraw/zinc/28/03/03/347280303.db2.gz FEUYISDBSYZJJT-CJNGLKHVSA-N 1 0 292.379 3.044 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@]1(C)CC1(C)C ZINC000595099907 347283523 /nfs/dbraw/zinc/28/35/23/347283523.db2.gz GNBPIDXFAJXQHS-BMIGLBTASA-N 1 0 278.352 3.443 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000595498360 347312452 /nfs/dbraw/zinc/31/24/52/347312452.db2.gz RTERERIYOYSIFD-GFCCVEGCSA-N 1 0 278.327 3.356 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595511192 347313712 /nfs/dbraw/zinc/31/37/12/347313712.db2.gz OQHNEZVHBRMQCF-NSHDSACASA-N 1 0 298.383 3.309 20 5 CGBDRO CCO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595521566 347315194 /nfs/dbraw/zinc/31/51/94/347315194.db2.gz FBSDTULLHOLAAA-UKRRQHHQSA-N 1 0 296.342 3.171 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000595593645 347322812 /nfs/dbraw/zinc/32/28/12/347322812.db2.gz RYBDTUAFKQZAOO-GFCCVEGCSA-N 1 0 250.342 3.258 20 5 CGBDRO COc1ccc(C[N@H+](C)C[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000595912432 347371826 /nfs/dbraw/zinc/37/18/26/347371826.db2.gz LXHIJAHJWPBWIO-LBPRGKRZSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([N+](=O)[O-])s1 ZINC000596076874 347379607 /nfs/dbraw/zinc/37/96/07/347379607.db2.gz QYYUTVKQBOPALX-ZYHUDNBSSA-N 1 0 281.381 3.003 20 5 CGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(C)sc2[N+](=O)[O-])C1 ZINC000596141270 347388410 /nfs/dbraw/zinc/38/84/10/347388410.db2.gz HSUVNWDYCZDFLP-GFCCVEGCSA-N 1 0 297.424 3.133 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)c2c1 ZINC000597131601 347537997 /nfs/dbraw/zinc/53/79/97/347537997.db2.gz BPFLGJMVACYXDI-WPGHFRTFSA-N 1 0 299.374 3.397 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CC1(F)F ZINC000598675946 347678152 /nfs/dbraw/zinc/67/81/52/347678152.db2.gz AZRAOIITCKRVLJ-SKDRFNHKSA-N 1 0 282.290 3.217 20 5 CGBDRO C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000598975225 347703241 /nfs/dbraw/zinc/70/32/41/347703241.db2.gz UEKDYXXCMBWZKU-STQMWFEESA-N 1 0 291.395 3.118 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000598998815 347705686 /nfs/dbraw/zinc/70/56/86/347705686.db2.gz IATPGBLCKAOJGM-QOBXEIRBSA-N 1 0 298.770 3.150 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000599059498 347712035 /nfs/dbraw/zinc/71/20/35/347712035.db2.gz XWDZRNSQFIHNNW-KGLIPLIRSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](CO)CCC(C)C)cccc1[N+](=O)[O-] ZINC000599068055 347713373 /nfs/dbraw/zinc/71/33/73/347713373.db2.gz KGQWAHJNWWMLTL-UONOGXRCSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CCC(C)C ZINC000599070248 347713696 /nfs/dbraw/zinc/71/36/96/347713696.db2.gz XQEKUBLATIZGKU-UONOGXRCSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ncccc1C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000599073031 347714587 /nfs/dbraw/zinc/71/45/87/347714587.db2.gz KDGDHANCNYDURK-CYBMUJFWSA-N 1 0 299.374 3.409 20 5 CGBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CCCC2(CC2)CC1 ZINC000599672479 347763021 /nfs/dbraw/zinc/76/30/21/347763021.db2.gz HIRJGFFCTJJBIV-UHFFFAOYSA-N 1 0 276.336 3.067 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)s1 ZINC000599164098 347722625 /nfs/dbraw/zinc/72/26/25/347722625.db2.gz JOSCPZSYNPELEV-NSHDSACASA-N 1 0 281.381 3.085 20 5 CGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@]1(C)CCCS1 ZINC000600110600 347780132 /nfs/dbraw/zinc/78/01/32/347780132.db2.gz AWGHQXXXKGXCEJ-CQSZACIVSA-N 1 0 280.393 3.312 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000601159219 347876225 /nfs/dbraw/zinc/87/62/25/347876225.db2.gz DQGVYMXEKLZQNK-VRJVPJCWSA-N 1 0 286.253 3.148 20 5 CGBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602508979 347972288 /nfs/dbraw/zinc/97/22/88/347972288.db2.gz DGZBWQZGFBWULB-WDEREUQCSA-N 1 0 289.335 3.404 20 5 CGBDRO CCC1(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CCC1 ZINC000602574388 347985689 /nfs/dbraw/zinc/98/56/89/347985689.db2.gz ZTTUFQVMZPPTPF-UHFFFAOYSA-N 1 0 289.335 3.406 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCCCF ZINC000602676291 348006653 /nfs/dbraw/zinc/00/66/53/348006653.db2.gz LTJIFUMJYJOYNX-UHFFFAOYSA-N 1 0 294.248 3.453 20 5 CGBDRO C[C@]1(CC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1(F)F ZINC000602709587 348015240 /nfs/dbraw/zinc/01/52/40/348015240.db2.gz GIOUWGOUIHEMRN-ZDUSSCGKSA-N 1 0 284.306 3.162 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CCO[C@H]1C ZINC000602762247 348024731 /nfs/dbraw/zinc/02/47/31/348024731.db2.gz DECIOXOPRDASRL-DZGCQCFKSA-N 1 0 292.379 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2ccns2)cc1 ZINC000602558690 347981601 /nfs/dbraw/zinc/98/16/01/347981601.db2.gz DACGAAUDASWREE-UHFFFAOYSA-N 1 0 291.376 3.164 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)[C@@H](C)C1CCCCC1 ZINC000602819324 348034019 /nfs/dbraw/zinc/03/40/19/348034019.db2.gz SEPCNYTWBOLKLD-LBPRGKRZSA-N 1 0 294.399 3.000 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](c3cccnc3)C2)c1 ZINC000602853162 348037551 /nfs/dbraw/zinc/03/75/51/348037551.db2.gz HSSNQEBVKLMKEQ-MRXNPFEDSA-N 1 0 297.358 3.369 20 5 CGBDRO CCC(CC)[C@@H](CNc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000603438443 348083586 /nfs/dbraw/zinc/08/35/86/348083586.db2.gz LSUPBVZMTURIES-OAHLLOKOSA-N 1 0 279.384 3.373 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC1CCCCC1 ZINC000603662544 348092361 /nfs/dbraw/zinc/09/23/61/348092361.db2.gz MZXNZSPFPKRFEN-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO Cc1cc(NC[C@H](C(C)C)[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000603845926 348098001 /nfs/dbraw/zinc/09/80/01/348098001.db2.gz PUVZFNQEQQFBAX-MRXNPFEDSA-N 1 0 291.395 3.436 20 5 CGBDRO CC(C)CC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000603848702 348098782 /nfs/dbraw/zinc/09/87/82/348098782.db2.gz FYGDSPPXRPPPMF-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO COc1ccc(C[N@H+](C)CCC(C)(C)C)cc1[N+](=O)[O-] ZINC000609577945 348348150 /nfs/dbraw/zinc/34/81/50/348348150.db2.gz DKRHDCLBKJLWHU-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[NH+](CC)CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000610273202 348370436 /nfs/dbraw/zinc/37/04/36/348370436.db2.gz XKTXHPVBFKJNAT-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000610717454 348399095 /nfs/dbraw/zinc/39/90/95/348399095.db2.gz UIEUXOHBNSUNSQ-HNNXBMFYSA-N 1 0 292.379 3.280 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1C1CC1 ZINC000611268559 348433025 /nfs/dbraw/zinc/43/30/25/348433025.db2.gz PDFLRHPOXYDSHY-BYPUDFOVSA-N 1 0 272.348 3.482 20 5 CGBDRO CSCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000611424883 348451059 /nfs/dbraw/zinc/45/10/59/348451059.db2.gz QVZWKBHILCUGBK-UHFFFAOYSA-N 1 0 292.360 3.307 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516479 348458211 /nfs/dbraw/zinc/45/82/11/348458211.db2.gz UKASTXCLTOTHLC-DZGCQCFKSA-N 1 0 292.379 3.465 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC000612461856 348521101 /nfs/dbraw/zinc/52/11/01/348521101.db2.gz LWNORTCIXAQRKL-OLZOCXBDSA-N 1 0 280.368 3.388 20 5 CGBDRO O=[N+]([O-])c1cnc2c(c1)C[N@@H+](CCC1CCCCC1)CC2 ZINC000612468210 348521835 /nfs/dbraw/zinc/52/18/35/348521835.db2.gz SKVUJXUFXLUEQP-UHFFFAOYSA-N 1 0 289.379 3.318 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000612577398 348529757 /nfs/dbraw/zinc/52/97/57/348529757.db2.gz DWMXOFVWIMVMHC-OAHLLOKOSA-N 1 0 260.337 3.278 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000612581359 348529809 /nfs/dbraw/zinc/52/98/09/348529809.db2.gz KVFIDFUSQHPCOG-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000271330439 191077983 /nfs/dbraw/zinc/07/79/83/191077983.db2.gz CGPJPNICROFHDP-UBHSHLNASA-N 1 0 292.379 3.369 20 5 CGBDRO C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC1CC1 ZINC000122955630 187062116 /nfs/dbraw/zinc/06/21/16/187062116.db2.gz UDXDLXAJINTBFF-UHFFFAOYSA-N 1 0 286.278 3.038 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CCCCOC)cc1[N+](=O)[O-] ZINC000152947869 188054629 /nfs/dbraw/zinc/05/46/29/188054629.db2.gz LABAXQMEAAIJHN-LBPRGKRZSA-N 1 0 296.367 3.071 20 5 CGBDRO CC[NH+](CC)Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000156943538 188289734 /nfs/dbraw/zinc/28/97/34/188289734.db2.gz HRPYQURDUPFKGW-UHFFFAOYSA-N 1 0 274.267 3.038 20 5 CGBDRO CC[C@@H]1CN(Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000157466841 188318677 /nfs/dbraw/zinc/31/86/77/188318677.db2.gz UZAMWZVMNIRFGH-LLVKDONJSA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CCc1nccs1 ZINC000157691250 188332286 /nfs/dbraw/zinc/33/22/86/188332286.db2.gz BWRKRTFLHMHZEW-NSHDSACASA-N 1 0 291.376 3.287 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccn(C)c2)cc1[N+](=O)[O-] ZINC000158507436 188379800 /nfs/dbraw/zinc/37/98/00/188379800.db2.gz JGQFAKBRALSUKV-GFCCVEGCSA-N 1 0 273.336 3.093 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccsc2)cccc1[N+](=O)[O-] ZINC000058003867 137927321 /nfs/dbraw/zinc/92/73/21/137927321.db2.gz TYZHHPJLRRNPKQ-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCO1 ZINC000271976945 191442169 /nfs/dbraw/zinc/44/21/69/191442169.db2.gz JFNIQWUALSYARX-QWHCGFSZSA-N 1 0 298.408 3.340 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCCCC[N@@H+](C)C1CC1 ZINC000413350830 235271543 /nfs/dbraw/zinc/27/15/43/235271543.db2.gz YDAUYASJMAQUNH-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@H]([NH2+]CC(C)(C)OCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000414239819 235371792 /nfs/dbraw/zinc/37/17/92/235371792.db2.gz JBLHAPYJIXNOFW-LBPRGKRZSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H](CO)C2)cccc1[N+](=O)[O-] ZINC000414348002 235392996 /nfs/dbraw/zinc/39/29/96/235392996.db2.gz WKKHLRQRASNMBX-IHRRRGAJSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1cc(NCCCC[NH3+])c([N+](=O)[O-])cc1C(F)(F)F ZINC000420231067 235730464 /nfs/dbraw/zinc/73/04/64/235730464.db2.gz JPLNTQSCPPQLBS-UHFFFAOYSA-N 1 0 291.273 3.073 20 5 CGBDRO CCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000248034782 138549793 /nfs/dbraw/zinc/54/97/93/138549793.db2.gz RIZXHGOZSJXLHS-ZIAGYGMSSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000426475638 236298294 /nfs/dbraw/zinc/29/82/94/236298294.db2.gz YSAIHKBBWATIDZ-MFKMUULPSA-N 1 0 264.300 3.108 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH+]2C[C@H]3CCCC[C@@H]3C2)c1 ZINC000426821399 236316385 /nfs/dbraw/zinc/31/63/85/236316385.db2.gz SHXBAFIWLLOGCX-ZIAGYGMSSA-N 1 0 290.363 3.096 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@]3(C)[C@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298321430 200394053 /nfs/dbraw/zinc/39/40/53/200394053.db2.gz QUFVDBDGGPFZBD-UONOGXRCSA-N 1 0 296.317 3.380 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176981033 189018686 /nfs/dbraw/zinc/01/86/86/189018686.db2.gz VOPDFQRGJWTLSO-QWRGUYRKSA-N 1 0 289.335 3.214 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000301127858 200922640 /nfs/dbraw/zinc/92/26/40/200922640.db2.gz XSEPABGYRXAZSA-NWDGAFQWSA-N 1 0 295.358 3.266 20 5 CGBDRO C[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000182070510 189313048 /nfs/dbraw/zinc/31/30/48/189313048.db2.gz FGEPEYVBDCTRNV-UHFFFAOYSA-N 1 0 254.717 3.090 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000301505811 201035425 /nfs/dbraw/zinc/03/54/25/201035425.db2.gz CRMSLPNDDTVBOA-STQMWFEESA-N 1 0 277.368 3.188 20 5 CGBDRO CCC[NH+]1CCC(CNc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000301557249 201067436 /nfs/dbraw/zinc/06/74/36/201067436.db2.gz IWKLVZXAXOJRDA-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301805793 201207812 /nfs/dbraw/zinc/20/78/12/201207812.db2.gz VSKSNCRSXZQGLH-SNVBAGLBSA-N 1 0 299.321 3.159 20 5 CGBDRO CC[NH+]1CCC(CCNc2ccc(C)cc2[N+](=O)[O-])CC1 ZINC000301803257 201206605 /nfs/dbraw/zinc/20/66/05/201206605.db2.gz DDJKSZKUTRKVET-UHFFFAOYSA-N 1 0 291.395 3.437 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2ccc(C)cc2[N+](=O)[O-])C1 ZINC000301823219 201217825 /nfs/dbraw/zinc/21/78/25/201217825.db2.gz MZUSCXVGRAUYPN-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1cc(N(C)CC2CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302147001 201364925 /nfs/dbraw/zinc/36/49/25/201364925.db2.gz GWHNVSIXHRUZDW-UHFFFAOYSA-N 1 0 271.320 3.298 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC1(C)C ZINC000449315068 239307818 /nfs/dbraw/zinc/30/78/18/239307818.db2.gz SYSHMEFTPWQZPX-ZWNOBZJWSA-N 1 0 280.393 3.009 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C1CCSCC1 ZINC000537975932 288556138 /nfs/dbraw/zinc/55/61/38/288556138.db2.gz HDPPFRVNULBYOY-LLVKDONJSA-N 1 0 280.393 3.449 20 5 CGBDRO C[C@@H](CCNc1c(F)cccc1[N+](=O)[O-])[NH+]1CCCCC1 ZINC000342846029 216573068 /nfs/dbraw/zinc/57/30/68/216573068.db2.gz CTOKSVUHNQMFIP-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000268543137 299380339 /nfs/dbraw/zinc/38/03/39/299380339.db2.gz ZUETXIIBWOUHOC-ZIEJDFEHSA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC23CCCC3)c1 ZINC000474058791 242853802 /nfs/dbraw/zinc/85/38/02/242853802.db2.gz QYQPOSPHOKNVKN-OAHLLOKOSA-N 1 0 274.364 3.450 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)C(F)(F)F ZINC000479595938 243113983 /nfs/dbraw/zinc/11/39/83/243113983.db2.gz VUSGIBACEYDYTG-VIFPVBQESA-N 1 0 276.258 3.191 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000037255087 369079572 /nfs/dbraw/zinc/07/95/72/369079572.db2.gz ZYFLXJGVGBYRAL-DGCLKSJQSA-N 1 0 278.352 3.272 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC1CC[NH+](C(C)C)CC1 ZINC000037061701 369057371 /nfs/dbraw/zinc/05/73/71/369057371.db2.gz QSPKNYHQLSHZRY-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO C[C@@H]([NH2+]C1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000037775626 369109412 /nfs/dbraw/zinc/10/94/12/369109412.db2.gz ONECVQBDFOCPDB-SNVBAGLBSA-N 1 0 266.366 3.141 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2c(F)cccc2F)cc1 ZINC000040675855 369159989 /nfs/dbraw/zinc/15/99/89/369159989.db2.gz ZIUJYOGVECNNOC-UHFFFAOYSA-N 1 0 292.285 3.205 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccsc2)cc1[N+](=O)[O-] ZINC000060390866 369587193 /nfs/dbraw/zinc/58/71/93/369587193.db2.gz ZHGMOUHXKKXNEU-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc([N+](=O)[O-])c1 ZINC000061588488 369602853 /nfs/dbraw/zinc/60/28/53/369602853.db2.gz YDYMGYPNSIITON-ZYHUDNBSSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@H]([NH2+]CCC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000063099360 369639980 /nfs/dbraw/zinc/63/99/80/369639980.db2.gz IHXNYOBREYOMKV-QMMMGPOBSA-N 1 0 262.231 3.198 20 5 CGBDRO CCC[C@H]([NH2+][C@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000090716402 370065690 /nfs/dbraw/zinc/06/56/90/370065690.db2.gz CRYMHVLGJFBHPU-JKSUJKDBSA-N 1 0 292.379 3.451 20 5 CGBDRO CCCC[N@H+](CCOC)Cc1cccc([N+](=O)[O-])c1C ZINC000109334060 370362220 /nfs/dbraw/zinc/36/22/20/370362220.db2.gz DQUMWYSUQJBNSP-UHFFFAOYSA-N 1 0 280.368 3.152 20 5 CGBDRO COCc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000112016957 370409619 /nfs/dbraw/zinc/40/96/19/370409619.db2.gz KSLNBJAEFJGKTE-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](C3CC3)C2)c1 ZINC000344004546 217010784 /nfs/dbraw/zinc/01/07/84/217010784.db2.gz CXXAVAXIWOQTKP-CQSZACIVSA-N 1 0 260.337 3.217 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915713 371486657 /nfs/dbraw/zinc/48/66/57/371486657.db2.gz FGZWXQKRKZRDBA-KCXAZCMYSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]([NH2+]CC1CCSCC1)c1cccc([N+](=O)[O-])c1 ZINC000135463935 371429521 /nfs/dbraw/zinc/42/95/21/371429521.db2.gz SMFQIBJENRXFQS-NSHDSACASA-N 1 0 280.393 3.389 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC000421835654 371659202 /nfs/dbraw/zinc/65/92/02/371659202.db2.gz FLHGPGDPUXXZFY-ZDUSSCGKSA-N 1 0 292.379 3.341 20 5 CGBDRO CC(C)C(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000289927925 371854428 /nfs/dbraw/zinc/85/44/28/371854428.db2.gz OEDHBHMKQFAQRN-UHFFFAOYSA-N 1 0 290.363 3.174 20 5 CGBDRO CC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289872876 371842278 /nfs/dbraw/zinc/84/22/78/371842278.db2.gz QWMYNFDKJXYLAP-OAHLLOKOSA-N 1 0 292.379 3.374 20 5 CGBDRO C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CC=CCC1 ZINC000344080731 217042991 /nfs/dbraw/zinc/04/29/91/217042991.db2.gz ZHERYRZJQGFEMR-NSHDSACASA-N 1 0 266.366 3.444 20 5 CGBDRO C[C@H](N[C@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258351 372043633 /nfs/dbraw/zinc/04/36/33/372043633.db2.gz BKCZMVWHRWNOPV-BLLLJJGKSA-N 1 0 291.395 3.153 20 5 CGBDRO CS[C@@H](C)C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000159134979 372108460 /nfs/dbraw/zinc/10/84/60/372108460.db2.gz VPINAGVSLPUACT-QMMMGPOBSA-N 1 0 274.773 3.089 20 5 CGBDRO CC[N@H+](C[C@@H](C)OC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329216 372160836 /nfs/dbraw/zinc/16/08/36/372160836.db2.gz VPEPLJWRIRLBQT-VXGBXAGGSA-N 1 0 266.341 3.013 20 5 CGBDRO CSC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C1 ZINC000292875245 372234927 /nfs/dbraw/zinc/23/49/27/372234927.db2.gz WYSAPWIPDIXKHC-CYBMUJFWSA-N 1 0 294.420 3.478 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CCCOC1 ZINC000344324684 217149938 /nfs/dbraw/zinc/14/99/38/217149938.db2.gz HAUVRHJJVJQFOY-CMPLNLGQSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)([NH2+]CCC1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000293256338 372338824 /nfs/dbraw/zinc/33/88/24/372338824.db2.gz INENSWAHTRBGRG-UHFFFAOYSA-N 1 0 292.379 3.236 20 5 CGBDRO COC1(CC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000293711254 372457366 /nfs/dbraw/zinc/45/73/66/372457366.db2.gz MUDCPOYHMZRYSN-LBPRGKRZSA-N 1 0 278.352 3.205 20 5 CGBDRO C[NH+](C)[C@@H](CNc1c(Cl)cccc1[N+](=O)[O-])C1CC1 ZINC000432313623 372556978 /nfs/dbraw/zinc/55/69/78/372556978.db2.gz NXVYZOGAWYQXRO-LBPRGKRZSA-N 1 0 283.759 3.000 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000294318135 372649305 /nfs/dbraw/zinc/64/93/05/372649305.db2.gz WLFAFYBVTQOTMR-YWPYICTPSA-N 1 0 280.368 3.307 20 5 CGBDRO CC1(C)CCC[C@](O)(C[NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000438345198 372932650 /nfs/dbraw/zinc/93/26/50/372932650.db2.gz FJIXXMYYSAMQJE-CQSZACIVSA-N 1 0 298.408 3.077 20 5 CGBDRO COCCC(C)(C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344715550 217286354 /nfs/dbraw/zinc/28/63/54/217286354.db2.gz YAANUNZZWPQMRW-VURMDHGXSA-N 1 0 278.352 3.013 20 5 CGBDRO CS[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296428352 373129067 /nfs/dbraw/zinc/12/90/67/373129067.db2.gz VGGKQZHQASHVGQ-MNOVXSKESA-N 1 0 266.366 3.093 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000296444741 373136903 /nfs/dbraw/zinc/13/69/03/373136903.db2.gz MNIVYFYEYVLZIK-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000444772000 373267761 /nfs/dbraw/zinc/26/77/61/373267761.db2.gz LQQSPLMYENWNCR-CQSZACIVSA-N 1 0 292.379 3.471 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000174553122 373335016 /nfs/dbraw/zinc/33/50/16/373335016.db2.gz AXULDWYPASOHNJ-GFCCVEGCSA-N 1 0 280.368 3.196 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446718307 373343978 /nfs/dbraw/zinc/34/39/78/373343978.db2.gz AVSQQCSRBASFDN-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO CC[C@H]1CC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000446718309 373345481 /nfs/dbraw/zinc/34/54/81/373345481.db2.gz AVSQQCSRBASFDN-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H](CO)C(C)(C)C)cc1[N+](=O)[O-] ZINC000446834849 373369244 /nfs/dbraw/zinc/36/92/44/373369244.db2.gz YPYRRKXDAOQJFR-HNNXBMFYSA-N 1 0 294.395 3.215 20 5 CGBDRO CC1(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000447573123 373455357 /nfs/dbraw/zinc/45/53/57/373455357.db2.gz FYJSEOWGONGXPB-CQSZACIVSA-N 1 0 260.337 3.362 20 5 CGBDRO CCO[C@@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1(C)C ZINC000300405734 373625303 /nfs/dbraw/zinc/62/53/03/373625303.db2.gz UNWLONQLFDWPJT-KCPJHIHWSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1ccc([N+](=O)[O-])c(C)c1 ZINC000301096372 373658192 /nfs/dbraw/zinc/65/81/92/373658192.db2.gz KDJRXBVDUQRMRF-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@@H]2CC[N@@H+](C3CCCC3)C2)c(F)c1 ZINC000301168789 373680475 /nfs/dbraw/zinc/68/04/75/373680475.db2.gz CXSFQNGUABLFLB-LLVKDONJSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000301211068 373692527 /nfs/dbraw/zinc/69/25/27/373692527.db2.gz WPHOLLYPUDHZAP-GFCCVEGCSA-N 1 0 293.342 3.163 20 5 CGBDRO CC/C=C/C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000449462478 373746335 /nfs/dbraw/zinc/74/63/35/373746335.db2.gz VEPUPNZQDRVICR-ONEGZZNKSA-N 1 0 286.278 3.252 20 5 CGBDRO CC(C)N(CC[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC000302223982 373832736 /nfs/dbraw/zinc/83/27/36/373832736.db2.gz QBHDPJWLHFCLJC-UHFFFAOYSA-N 1 0 285.775 3.025 20 5 CGBDRO Cc1cccc(NC[C@@H](c2ccco2)[NH+](C)C)c1[N+](=O)[O-] ZINC000302500483 373881921 /nfs/dbraw/zinc/88/19/21/373881921.db2.gz OJLFKOMKMOJRNT-ZDUSSCGKSA-N 1 0 289.335 3.211 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@]3(CCSC3)C2)c1 ZINC000449735711 373863132 /nfs/dbraw/zinc/86/31/32/373863132.db2.gz UOCIKASZKALRFH-HNNXBMFYSA-N 1 0 292.404 3.314 20 5 CGBDRO C[C@@H]1CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310197206 374209830 /nfs/dbraw/zinc/20/98/30/374209830.db2.gz RIKAKMDWEBWGSJ-PRHODGIISA-N 1 0 254.717 3.136 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1Cl)CC1CC1 ZINC000182166541 374226820 /nfs/dbraw/zinc/22/68/20/374226820.db2.gz SYQTYQNEEXOWNX-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C1CCC1 ZINC000182193245 374233531 /nfs/dbraw/zinc/23/35/31/374233531.db2.gz ZOYZZXVUWPYSRK-UHFFFAOYSA-N 1 0 254.717 3.233 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCCO)CC(C)(C)C ZINC000183331560 374403984 /nfs/dbraw/zinc/40/39/84/374403984.db2.gz PDSMGAZVFOMJCH-UHFFFAOYSA-N 1 0 294.395 3.134 20 5 CGBDRO C[C@@H]([NH2+]C1CC(C)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000453257654 374375904 /nfs/dbraw/zinc/37/59/04/374375904.db2.gz VFUXPAHFKJBMSZ-CBZQXFMTSA-N 1 0 252.289 3.136 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+](CCO)C1CCCCC1 ZINC000183207952 374386620 /nfs/dbraw/zinc/38/66/20/374386620.db2.gz NXAYLAUEAOWLMT-UHFFFAOYSA-N 1 0 292.379 3.030 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1=CCCC1 ZINC000183624515 374435906 /nfs/dbraw/zinc/43/59/06/374435906.db2.gz QCFGTDIVRDECKT-UHFFFAOYSA-N 1 0 260.337 3.493 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCOCC1 ZINC000330579471 374483207 /nfs/dbraw/zinc/48/32/07/374483207.db2.gz QSUXIWNKTAWGCW-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185195839 374609504 /nfs/dbraw/zinc/60/95/04/374609504.db2.gz COHRHJPCVWIVKF-GJZGRUSLSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000187922443 375117288 /nfs/dbraw/zinc/11/72/88/375117288.db2.gz SGGLLBUEUASFGS-JTQLQIEISA-N 1 0 254.355 3.278 20 5 CGBDRO CC1(C)CCN(Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493074082 375461425 /nfs/dbraw/zinc/46/14/25/375461425.db2.gz CGEANFIRAHPRPI-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO CC1(C)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000497384493 375595894 /nfs/dbraw/zinc/59/58/94/375595894.db2.gz FNNVCKQMSCJAQU-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCCCS2)c(F)c1 ZINC000336811741 375963070 /nfs/dbraw/zinc/96/30/70/375963070.db2.gz OILBSFOXUANWAQ-GFCCVEGCSA-N 1 0 284.356 3.109 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1C2CCC1CC2 ZINC000534331671 375976259 /nfs/dbraw/zinc/97/62/59/375976259.db2.gz KDIXAOIVNGCFRY-HYXAFXHYSA-N 1 0 258.321 3.235 20 5 CGBDRO C=Cn1cc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000194354901 375990577 /nfs/dbraw/zinc/99/05/77/375990577.db2.gz NDASVSSWUDNUEW-GFCCVEGCSA-N 1 0 286.335 3.051 20 5 CGBDRO C[C@@H]1C[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000536655824 376113062 /nfs/dbraw/zinc/11/30/62/376113062.db2.gz HTZOQDJSTJNJFS-WFMXKNRHSA-N 1 0 292.404 3.434 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000537092675 376146659 /nfs/dbraw/zinc/14/66/59/376146659.db2.gz DVUCKKKNGDNTQA-STQMWFEESA-N 1 0 280.368 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCOC(C)(C)C ZINC000537422731 376169046 /nfs/dbraw/zinc/16/90/46/376169046.db2.gz OCCCQMOSQVDOQS-LBPRGKRZSA-N 1 0 280.368 3.369 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC(C)(C)C ZINC000537422730 376169380 /nfs/dbraw/zinc/16/93/80/376169380.db2.gz OCCCQMOSQVDOQS-GFCCVEGCSA-N 1 0 280.368 3.369 20 5 CGBDRO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000538192884 376224710 /nfs/dbraw/zinc/22/47/10/376224710.db2.gz IVMBXUDPRDSACO-STQMWFEESA-N 1 0 280.368 3.307 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)C1(C)C ZINC000230144488 376485974 /nfs/dbraw/zinc/48/59/74/376485974.db2.gz QZJIHGKFRMRYFH-OLZOCXBDSA-N 1 0 298.770 3.151 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CC3)C2)c(Cl)c1 ZINC000543908821 376686460 /nfs/dbraw/zinc/68/64/60/376686460.db2.gz VFXBBHASYCHHMN-LLVKDONJSA-N 1 0 280.755 3.480 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000558687775 377032965 /nfs/dbraw/zinc/03/29/65/377032965.db2.gz CRDYDXWJHFAZJN-ZMJPVWNMSA-N 1 0 260.337 3.434 20 5 CGBDRO CC/C=C/CC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558740737 377042453 /nfs/dbraw/zinc/04/24/53/377042453.db2.gz OCKFBZYUXDJFQO-SNAWJCMRSA-N 1 0 262.353 3.425 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000558259232 376990696 /nfs/dbraw/zinc/99/06/96/376990696.db2.gz XYTVLDMVUYZZSD-QJPTWQEYSA-N 1 0 266.316 3.444 20 5 CGBDRO C[C@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795027 249029417 /nfs/dbraw/zinc/02/94/17/249029417.db2.gz FPMFOTBLMDQZTG-GXSJLCMTSA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1cnc(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])c(C)c1 ZINC000517929307 249273415 /nfs/dbraw/zinc/27/34/15/249273415.db2.gz NLWHFZFPCMOWRA-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342609581 377689601 /nfs/dbraw/zinc/68/96/01/377689601.db2.gz VBNRUJXIAIXJQJ-ZFWWWQNUSA-N 1 0 292.379 3.465 20 5 CGBDRO C[C@@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000255088290 377731061 /nfs/dbraw/zinc/73/10/61/377731061.db2.gz MCWTVWWXFCRMPQ-TXNVCOODSA-N 1 0 278.377 3.045 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)C(C)C ZINC000574769244 377707684 /nfs/dbraw/zinc/70/76/84/377707684.db2.gz ULFMXIOSBBAQMN-UHFFFAOYSA-N 1 0 266.341 3.224 20 5 CGBDRO C[C@@](CO)([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000265783611 378010120 /nfs/dbraw/zinc/01/01/20/378010120.db2.gz OXPZTKLFVYTOOV-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO CC(C)CO[C@H]1CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000268350108 378054587 /nfs/dbraw/zinc/05/45/87/378054587.db2.gz DFIYIWQGUKPOTK-KGLIPLIRSA-N 1 0 292.379 3.403 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C1CCSCC1 ZINC000578786909 378100591 /nfs/dbraw/zinc/10/05/91/378100591.db2.gz YHVSDABZUDRPDG-ZDUSSCGKSA-N 1 0 278.377 3.067 20 5 CGBDRO Cc1c([C@@H](C)NCCC[N@@H+](C)C(C)C)cccc1[N+](=O)[O-] ZINC000268775391 378108201 /nfs/dbraw/zinc/10/82/01/378108201.db2.gz RMJDOLFERWOPEY-CQSZACIVSA-N 1 0 293.411 3.284 20 5 CGBDRO C[C@@H]([NH2+]CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266818418 190282689 /nfs/dbraw/zinc/28/26/89/190282689.db2.gz YMOKCKUAYFZMKV-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000378233001 379792769 /nfs/dbraw/zinc/79/27/69/379792769.db2.gz KKGMTUKAGCOUFY-SNPRPXQTSA-N 1 0 290.363 3.014 20 5 CGBDRO CCc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)cn1 ZINC000352698240 379912966 /nfs/dbraw/zinc/91/29/66/379912966.db2.gz PPIBUMRFIQANDQ-UHFFFAOYSA-N 1 0 285.347 3.150 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352785243 379958979 /nfs/dbraw/zinc/95/89/79/379958979.db2.gz VPXQLLVCRZKLLO-YPMHNXCESA-N 1 0 278.352 3.366 20 5 CGBDRO CSC(C)(C)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135797498 295564559 /nfs/dbraw/zinc/56/45/59/295564559.db2.gz IKWFBCJCUHDNIP-JTQLQIEISA-N 1 0 268.382 3.387 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]C[C@H]1CC12CC2)C1CC1 ZINC000417332262 380594637 /nfs/dbraw/zinc/59/46/37/380594637.db2.gz CZRIUHSJAZDSTM-CABCVRRESA-N 1 0 286.375 3.306 20 5 CGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@H]1C ZINC000418112178 380701935 /nfs/dbraw/zinc/70/19/35/380701935.db2.gz BADDUBKDVKAPEF-BBBLOLIVSA-N 1 0 254.355 3.133 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)[C@@H](C)[C@H]1C ZINC000419373626 380819782 /nfs/dbraw/zinc/81/97/82/380819782.db2.gz OMRVRSURJGKQCD-VWYCJHECSA-N 1 0 289.335 3.212 20 5 CGBDRO CC[C@@H]1C[C@H](C[N@H+](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000356984931 380972010 /nfs/dbraw/zinc/97/20/10/380972010.db2.gz ILLPAXLGSLUMBG-UKRRQHHQSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000357555555 381208197 /nfs/dbraw/zinc/20/81/97/381208197.db2.gz VCLLFHPCXUISLP-AAEUAGOBSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361315422 381688970 /nfs/dbraw/zinc/68/89/70/381688970.db2.gz KKKDTVWXCQXNPS-HZPDHXFCSA-N 1 0 294.395 3.433 20 5 CGBDRO COc1cc(C[N@@H+]2CCC(C)=C(C)C2)ccc1[N+](=O)[O-] ZINC000361619922 381843168 /nfs/dbraw/zinc/84/31/68/381843168.db2.gz OXQUBQKNCGGWFV-UHFFFAOYSA-N 1 0 276.336 3.146 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@@H](C)CC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362313281 381939407 /nfs/dbraw/zinc/93/94/07/381939407.db2.gz CELWJQINFZHOLA-WDEREUQCSA-N 1 0 296.342 3.363 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]2C2CCC2)cc1 ZINC000477651303 285110589 /nfs/dbraw/zinc/11/05/89/285110589.db2.gz ZOSRYLXVKZRHDD-MRXNPFEDSA-N 1 0 274.364 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCOCC1)CCC2 ZINC000193071751 285145004 /nfs/dbraw/zinc/14/50/04/285145004.db2.gz MSAXDBWAJXYWCB-CZUORRHYSA-N 1 0 290.363 3.131 20 5 CGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000353816236 220348726 /nfs/dbraw/zinc/34/87/26/220348726.db2.gz LWVDPCVESVBSGX-SOFGYWHQSA-N 1 0 260.337 3.482 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](C[C@H]2CCC=CO2)C2CC2)c1 ZINC000193702056 285153309 /nfs/dbraw/zinc/15/33/09/285153309.db2.gz XDJNOXJYMWYGIU-MRXNPFEDSA-N 1 0 288.347 3.252 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCCC[C@@H]1C ZINC000358416383 533218216 /nfs/dbraw/zinc/21/82/16/533218216.db2.gz WWJTZRWSJUCSAP-LBPRGKRZSA-N 1 0 278.352 3.368 20 5 CGBDRO COCCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCC1 ZINC000355480728 533220107 /nfs/dbraw/zinc/22/01/07/533220107.db2.gz CLKVTILMTUMQDE-QPJJXVBHSA-N 1 0 290.363 3.157 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000282059700 195490754 /nfs/dbraw/zinc/49/07/54/195490754.db2.gz MNQCYQAKMWHIEC-BXKDBHETSA-N 1 0 282.315 3.021 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414195844 533305351 /nfs/dbraw/zinc/30/53/51/533305351.db2.gz JLHGBHKPCWXZNJ-AAEUAGOBSA-N 1 0 280.368 3.226 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H]1C ZINC000513042002 533410312 /nfs/dbraw/zinc/41/03/12/533410312.db2.gz USVQEGHZCKXFEG-ZZUQXNNYSA-N 1 0 260.337 3.386 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccccc1 ZINC000051123864 392067313 /nfs/dbraw/zinc/06/73/13/392067313.db2.gz ULMJIXPVZCXJRW-UHFFFAOYSA-N 1 0 286.331 3.106 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)CCS1 ZINC000282411803 392290811 /nfs/dbraw/zinc/29/08/11/392290811.db2.gz FYUJJZFCHCPUNX-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000361810982 392330147 /nfs/dbraw/zinc/33/01/47/392330147.db2.gz IHGOINNHDPLVFY-JGGQBBKZSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1cc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000285810736 392332352 /nfs/dbraw/zinc/33/23/52/392332352.db2.gz HNCBKOMXBXFPPY-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO COc1cc(C[N@H+](C)CC(C)(C)C)c([N+](=O)[O-])cc1F ZINC000361920116 392362458 /nfs/dbraw/zinc/36/24/58/392362458.db2.gz SIERBEBAYKETFH-UHFFFAOYSA-N 1 0 284.331 3.220 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000252196435 131133419 /nfs/dbraw/zinc/13/34/19/131133419.db2.gz VOSHELWIFHSFPY-OPDFLTKYSA-N 1 0 278.352 3.201 20 5 CGBDRO CCC(CC)(CCO)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000509411945 392749346 /nfs/dbraw/zinc/74/93/46/392749346.db2.gz XZUHYTFAJNRGQL-CLFYSBASSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CC[C@H](C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)O1 ZINC000190738906 392817984 /nfs/dbraw/zinc/81/79/84/392817984.db2.gz OVXFQFNJTKHJQV-MLGOLLRUSA-N 1 0 290.363 3.127 20 5 CGBDRO C[N@H+](CCc1ccccc1)CCc1ccccc1[N+](=O)[O-] ZINC000511058160 392827196 /nfs/dbraw/zinc/82/71/96/392827196.db2.gz DWLUBJDWYYKPTI-UHFFFAOYSA-N 1 0 284.359 3.312 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414217901 393044121 /nfs/dbraw/zinc/04/41/21/393044121.db2.gz YXRIXJPOKQEYKH-XHSDSOJGSA-N 1 0 290.363 3.129 20 5 CGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821015 393060777 /nfs/dbraw/zinc/06/07/77/393060777.db2.gz GANLYISEMWTQCY-OTYXRUKQSA-N 1 0 295.770 3.143 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906097 393066883 /nfs/dbraw/zinc/06/68/83/393066883.db2.gz YAMZEGJSZURQEL-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923472 393072218 /nfs/dbraw/zinc/07/22/18/393072218.db2.gz KNOSFDRECNQPJH-DGCLKSJQSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000466935588 393075564 /nfs/dbraw/zinc/07/55/64/393075564.db2.gz KOKDDOQQGLHIJG-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO COCCCCC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468646762 393156453 /nfs/dbraw/zinc/15/64/53/393156453.db2.gz ZDNDHBWLNKEMSR-KAMYIIQDSA-N 1 0 292.379 3.404 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000269048780 393221255 /nfs/dbraw/zinc/22/12/55/393221255.db2.gz VNQCDCONTUAEAU-LBPRGKRZSA-N 1 0 280.368 3.105 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCS[C@H](C)C1 ZINC000470171085 393229712 /nfs/dbraw/zinc/22/97/12/393229712.db2.gz FKZACCHEZVKXRJ-LLBKUYECSA-N 1 0 292.404 3.435 20 5 CGBDRO CO[C@@H]1CCC[N@H+](C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000470175662 393229810 /nfs/dbraw/zinc/22/98/10/393229810.db2.gz RFNCQDXOLLYCGX-RCBBPTIPSA-N 1 0 290.363 3.109 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@H](C)C1 ZINC000470176068 393231680 /nfs/dbraw/zinc/23/16/80/393231680.db2.gz HYYKZRYTLOTGQX-OXBCTQFSSA-N 1 0 260.337 3.340 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@H]2C)ccc1[N+](=O)[O-] ZINC000475154450 393378120 /nfs/dbraw/zinc/37/81/20/393378120.db2.gz QIVSLWHYMJLNOJ-YPMHNXCESA-N 1 0 278.352 3.272 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475151588 393378193 /nfs/dbraw/zinc/37/81/93/393378193.db2.gz QWSFYGCBQZPETJ-FRRDWIJNSA-N 1 0 292.379 3.470 20 5 CGBDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154599 393378643 /nfs/dbraw/zinc/37/86/43/393378643.db2.gz DDVWHZUCPNUNCR-JHJVBQTASA-N 1 0 262.353 3.461 20 5 CGBDRO CC[C@@H]([NH3+])CNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420257988 393444087 /nfs/dbraw/zinc/44/40/87/393444087.db2.gz FNGZRGPDEFUIAX-SSDOTTSWSA-N 1 0 278.139 3.051 20 5 CGBDRO C[C@@H]([NH3+])[C@@H](C)Nc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420263241 393444927 /nfs/dbraw/zinc/44/49/27/393444927.db2.gz NLXZQCFABGIARR-PHDIDXHHSA-N 1 0 278.139 3.049 20 5 CGBDRO [NH3+][C@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420274299 393447210 /nfs/dbraw/zinc/44/72/10/393447210.db2.gz FKAKLVBKWYNQMG-UWVGGRQHSA-N 1 0 283.759 3.178 20 5 CGBDRO [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1ccc(Cl)cc1[N+](=O)[O-] ZINC000420288992 393449665 /nfs/dbraw/zinc/44/96/65/393449665.db2.gz SSRUAWPWGOXXRD-FOCQTFQBSA-N 1 0 295.770 3.176 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000430215388 393540957 /nfs/dbraw/zinc/54/09/57/393540957.db2.gz GPMWPLHJHZNEIT-WFASDCNBSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@@H]1C[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358015 393495536 /nfs/dbraw/zinc/49/55/36/393495536.db2.gz QWXMJUBVPWAHJA-DGCLKSJQSA-N 1 0 260.337 3.215 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC(F)(F)C2)c(F)c1 ZINC000430041306 393514868 /nfs/dbraw/zinc/51/48/68/393514868.db2.gz VCLAOQNXRFLTTL-SECBINFHSA-N 1 0 288.269 3.259 20 5 CGBDRO CC(C)C1CC([NH2+]CCc2cccc([N+](=O)[O-])c2)C1 ZINC000488453371 393521319 /nfs/dbraw/zinc/52/13/19/393521319.db2.gz ZHAVODBTFMILMQ-UHFFFAOYSA-N 1 0 262.353 3.162 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC(C)=C[C@H](C)C1 ZINC000430281106 393558566 /nfs/dbraw/zinc/55/85/66/393558566.db2.gz RIACHDHVIWLGKC-NSHDSACASA-N 1 0 276.336 3.001 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC1(C)C ZINC000489397797 393593572 /nfs/dbraw/zinc/59/35/72/393593572.db2.gz FETLKQJFWRVTEX-AWEZNQCLSA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@H](N[C@@H]1CC[NH2+][C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000423397853 393665440 /nfs/dbraw/zinc/66/54/40/393665440.db2.gz VAIFRMOOTZDNLY-BJJXKVORSA-N 1 0 291.395 3.166 20 5 CGBDRO CO[C@](C)(C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000361147194 393684786 /nfs/dbraw/zinc/68/47/86/393684786.db2.gz RTYPYJXJQBJRHZ-GMNBZTITSA-N 1 0 290.363 3.013 20 5 CGBDRO CCC1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)COC1 ZINC000449598065 393918047 /nfs/dbraw/zinc/91/80/47/393918047.db2.gz HFMJEKGIVKKTGP-UHFFFAOYSA-N 1 0 292.379 3.234 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449755735 393944407 /nfs/dbraw/zinc/94/44/07/393944407.db2.gz OBXFQVATLGXLQK-JGGQBBKZSA-N 1 0 292.379 3.073 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453247668 394219061 /nfs/dbraw/zinc/21/90/61/394219061.db2.gz KNFWBZSUJIJQGU-GDBMZVCRSA-N 1 0 292.379 3.377 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)nc1 ZINC000453409152 394237791 /nfs/dbraw/zinc/23/77/91/394237791.db2.gz FSNMVZXMKYYKOE-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccs1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284050295 195969858 /nfs/dbraw/zinc/96/98/58/195969858.db2.gz KFJBWQVXIJODSB-SNVBAGLBSA-N 1 0 291.376 3.132 20 5 CGBDRO CCC[C@H]([NH2+]C1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000020089673 397605000 /nfs/dbraw/zinc/60/50/00/397605000.db2.gz GYWFJLLTIBONFO-BCLQGDPASA-N 1 0 292.379 3.329 20 5 CGBDRO CC[C@@H](N[C@H](C)C[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000045691356 397625642 /nfs/dbraw/zinc/62/56/42/397625642.db2.gz UHYSKIVPDCWODF-CZUORRHYSA-N 1 0 293.411 3.366 20 5 CGBDRO CO[C@H]1CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC1(C)C ZINC000296154058 286061359 /nfs/dbraw/zinc/06/13/59/286061359.db2.gz UEFUVBQHKVDWAZ-WFASDCNBSA-N 1 0 292.379 3.403 20 5 CGBDRO CC1(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)CC1 ZINC000555596365 289351304 /nfs/dbraw/zinc/35/13/04/289351304.db2.gz IJQPMEGSEHUFEL-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO C[C@H](c1ccco1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000069065477 165049244 /nfs/dbraw/zinc/04/92/44/165049244.db2.gz BMEZHAXOBYBUQM-GFCCVEGCSA-N 1 0 290.319 3.260 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C2CCSCC2)cc1[N+](=O)[O-] ZINC000089541677 165211504 /nfs/dbraw/zinc/21/15/04/165211504.db2.gz VXWUOGQFMHKUMS-LLVKDONJSA-N 1 0 280.393 3.449 20 5 CGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CCC1 ZINC000089905931 165219940 /nfs/dbraw/zinc/21/99/40/165219940.db2.gz SYVCLNNGIMSMMU-UHFFFAOYSA-N 1 0 287.319 3.234 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000120212163 287179559 /nfs/dbraw/zinc/17/95/59/287179559.db2.gz AYBRAUDXOQQOAW-MGPQQGTHSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)s1 ZINC000284220082 196006375 /nfs/dbraw/zinc/00/63/75/196006375.db2.gz TZJLWRWPHRTOKS-JTQLQIEISA-N 1 0 291.376 3.398 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccccc2)cc1[N+](=O)[O-] ZINC000006938114 170256854 /nfs/dbraw/zinc/25/68/54/170256854.db2.gz XYATXRNEZBGPPB-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000020121828 171001301 /nfs/dbraw/zinc/00/13/01/171001301.db2.gz KNQOGBIEAXCCDF-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000035308108 172121363 /nfs/dbraw/zinc/12/13/63/172121363.db2.gz FSNJCQDVZYUFMP-GXFFZTMASA-N 1 0 266.316 3.402 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677620 172348289 /nfs/dbraw/zinc/34/82/89/172348289.db2.gz HYTLXXLSKUHVAL-SWLSCSKDSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1cccc(CCC[NH2+]Cc2csc([N+](=O)[O-])c2)n1 ZINC000285619122 196345160 /nfs/dbraw/zinc/34/51/60/196345160.db2.gz QNKYHZXBQBTSGY-UHFFFAOYSA-N 1 0 291.376 3.082 20 5 CGBDRO COCc1ccccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000037500130 173237868 /nfs/dbraw/zinc/23/78/68/173237868.db2.gz BDXTVWIGKMIQFC-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044272 174052323 /nfs/dbraw/zinc/05/23/23/174052323.db2.gz STCUGUPCMCIGCL-WFASDCNBSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038096035 174110473 /nfs/dbraw/zinc/11/04/73/174110473.db2.gz RVWHUISVJKMQHY-CABCVRRESA-N 1 0 278.352 3.205 20 5 CGBDRO C[N@@H+]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000044537584 175200138 /nfs/dbraw/zinc/20/01/38/175200138.db2.gz VKTKTMTWPYSTOG-SNVBAGLBSA-N 1 0 283.759 3.002 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000074318443 176517415 /nfs/dbraw/zinc/51/74/15/176517415.db2.gz FHIIVJLWIYZHGJ-LLVKDONJSA-N 1 0 250.342 3.427 20 5 CGBDRO CC[C@@H]([NH2+]CCOCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000129823691 287339509 /nfs/dbraw/zinc/33/95/09/287339509.db2.gz YKLATJHHVQZQLM-OAHLLOKOSA-N 1 0 280.368 3.308 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000354790545 227111275 /nfs/dbraw/zinc/11/12/75/227111275.db2.gz LHGQSJYKBKFBCQ-MRXNPFEDSA-N 1 0 292.379 3.150 20 5 CGBDRO CSC[C@H](C)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192881746 274177694 /nfs/dbraw/zinc/17/76/94/274177694.db2.gz ZUGLKVVGXGMEQD-IINYFYTJSA-N 1 0 280.393 3.313 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000158062677 270052566 /nfs/dbraw/zinc/05/25/66/270052566.db2.gz GDRPEVPZJVQPLZ-DOMZBBRYSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](CCO)C(C)(C)C)cccc1[N+](=O)[O-] ZINC000158062841 270052588 /nfs/dbraw/zinc/05/25/88/270052588.db2.gz GDRPEVPZJVQPLZ-WFASDCNBSA-N 1 0 294.395 3.351 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC=CCC1 ZINC000179315046 265754809 /nfs/dbraw/zinc/75/48/09/265754809.db2.gz HYUJITMQLDHGED-CYBMUJFWSA-N 1 0 260.337 3.383 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H](C1CC1)C1CCC1 ZINC000325049008 270094805 /nfs/dbraw/zinc/09/48/05/270094805.db2.gz SEWPGGAWYXBDEQ-INIZCTEOSA-N 1 0 274.364 3.306 20 5 CGBDRO CCC[C@](C)(O)C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000524292343 270112602 /nfs/dbraw/zinc/11/26/02/270112602.db2.gz FYWKBPVHKURLLF-INIZCTEOSA-N 1 0 294.395 3.359 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1[C@H](C)C[C@H]1C ZINC000525997429 270122294 /nfs/dbraw/zinc/12/22/94/270122294.db2.gz RVPGQSFEUXBTAJ-CUOXCHRPSA-N 1 0 260.337 3.481 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+](C)C1CCOCC1 ZINC000527054720 270124716 /nfs/dbraw/zinc/12/47/16/270124716.db2.gz NTLMTEHUYUIVRM-RAXLEYEMSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000531778394 270209703 /nfs/dbraw/zinc/20/97/03/270209703.db2.gz GZQKFKKYLBKWRS-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C ZINC000532504156 270216346 /nfs/dbraw/zinc/21/63/46/270216346.db2.gz ZUTXECYLQQSNLU-JSGCOSHPSA-N 1 0 294.395 3.351 20 5 CGBDRO COCC(C)(C)[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000292075623 274016737 /nfs/dbraw/zinc/01/67/37/274016737.db2.gz FDOVEHJSLIEMFX-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO CO[C@@]1(C)C[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963903 274073744 /nfs/dbraw/zinc/07/37/44/274073744.db2.gz YVKKIKLBBFSMSN-HOCLYGCPSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000332075502 274382450 /nfs/dbraw/zinc/38/24/50/274382450.db2.gz XYFKOXMCVDBMGR-ONERCXAPSA-N 1 0 292.404 3.313 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1NCC12CCC[NH+]1CCC2 ZINC000343085500 275033548 /nfs/dbraw/zinc/03/35/48/275033548.db2.gz PJQVHJLVXFOEOM-UHFFFAOYSA-N 1 0 295.770 3.289 20 5 CGBDRO COC1([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000421822780 277473698 /nfs/dbraw/zinc/47/36/98/277473698.db2.gz BJLBJCGDWFDUNJ-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccccc1[N+](=O)[O-] ZINC000459764310 277629165 /nfs/dbraw/zinc/62/91/65/277629165.db2.gz CRDYDXWJHFAZJN-MHDGFBEUSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@H]1CC)c1cccc([N+](=O)[O-])c1 ZINC000414205571 288071790 /nfs/dbraw/zinc/07/17/90/288071790.db2.gz IRMJWTPHBOWEGW-ZNMIVQPWSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[NH+](CC)CCCNC(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429255591 279099561 /nfs/dbraw/zinc/09/95/61/279099561.db2.gz HXIOUGHXSFBBNB-UHFFFAOYSA-N 1 0 293.411 3.151 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449254319 279249316 /nfs/dbraw/zinc/24/93/16/279249316.db2.gz XQDUIJGGCIEYGQ-VHSXEESVSA-N 1 0 290.285 3.456 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@H]1CCSC1)C1CC1 ZINC000271921770 280374402 /nfs/dbraw/zinc/37/44/02/280374402.db2.gz DYMYNNQAVXLWRR-UONOGXRCSA-N 1 0 292.404 3.011 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531728112 288343619 /nfs/dbraw/zinc/34/36/19/288343619.db2.gz AEOYCUZBDVJEOC-DIOULYMOSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccoc1 ZINC000548395143 289003367 /nfs/dbraw/zinc/00/33/67/289003367.db2.gz SHBXZHICPYRWBF-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@H]21 ZINC000549545512 289046015 /nfs/dbraw/zinc/04/60/15/289046015.db2.gz XPQJZUJATOWHGT-DIOULYMOSA-N 1 0 290.363 3.311 20 5 CGBDRO C[C@H]([N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000549770430 289052898 /nfs/dbraw/zinc/05/28/98/289052898.db2.gz DPYQUWUAFURYTH-JTQLQIEISA-N 1 0 266.341 3.167 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](CC3CC3)C2)cc1 ZINC000550423146 289076592 /nfs/dbraw/zinc/07/65/92/289076592.db2.gz ZIDGWLKPFMRJOS-HNNXBMFYSA-N 1 0 274.364 3.259 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2C[C@H]21)c1ccccc1[N+](=O)[O-] ZINC000558687770 289511971 /nfs/dbraw/zinc/51/19/71/289511971.db2.gz CRDYDXWJHFAZJN-VTPLQMEGSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000158718750 290145437 /nfs/dbraw/zinc/14/54/37/290145437.db2.gz JRWUVJVQPSIMKW-XJKSGUPXSA-N 1 0 292.379 3.110 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCCC23CCC3)cc1[N+](=O)[O-] ZINC000449100159 533699067 /nfs/dbraw/zinc/69/90/67/533699067.db2.gz AXBWBNJRFUVMLO-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO CC(C)[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000324427625 321961878 /nfs/dbraw/zinc/96/18/78/321961878.db2.gz TVFWLXXWRQBLNJ-OAHLLOKOSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])[C@@H]1CCCO1 ZINC000565219506 322067296 /nfs/dbraw/zinc/06/72/96/322067296.db2.gz XXBBRSALYQLDRF-LZWOXQAQSA-N 1 0 290.363 3.129 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000565923467 322097114 /nfs/dbraw/zinc/09/71/14/322097114.db2.gz RAPQCLRNRYWLBS-KGLIPLIRSA-N 1 0 293.411 3.366 20 5 CGBDRO CSCCCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000566476527 322125530 /nfs/dbraw/zinc/12/55/30/322125530.db2.gz ZHBIWUDFMCDVEE-ZDUSSCGKSA-N 1 0 280.393 3.315 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCS1 ZINC000570059303 322264070 /nfs/dbraw/zinc/26/40/70/322264070.db2.gz LRQIFTAWKVHVME-GWCFXTLKSA-N 1 0 278.377 3.067 20 5 CGBDRO CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C(C)C ZINC000571296641 322295240 /nfs/dbraw/zinc/29/52/40/322295240.db2.gz WAVNYRTWUOYDFO-UHFFFAOYSA-N 1 0 266.341 3.094 20 5 CGBDRO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572974902 322363895 /nfs/dbraw/zinc/36/38/95/322363895.db2.gz CVICOSOPRSYSBX-HONMWMINSA-N 1 0 260.337 3.360 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000582603422 329114439 /nfs/dbraw/zinc/11/44/39/329114439.db2.gz CTHSYIIJMGONSY-DZGCQCFKSA-N 1 0 292.379 3.464 20 5 CGBDRO C[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1(C)CC1 ZINC000577557589 335368129 /nfs/dbraw/zinc/36/81/29/335368129.db2.gz MCUXQMAHRZSAGB-LLVKDONJSA-N 1 0 287.363 3.397 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000578552257 335649077 /nfs/dbraw/zinc/64/90/77/335649077.db2.gz DUXFRSRSFQTJIL-UHFFFAOYSA-N 1 0 276.258 3.273 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000580782942 335966642 /nfs/dbraw/zinc/96/66/42/335966642.db2.gz CTXRXBKBIILQBZ-HNNXBMFYSA-N 1 0 283.331 3.075 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581064554 336002491 /nfs/dbraw/zinc/00/24/91/336002491.db2.gz OCNZUOZIFKJMDF-OLZOCXBDSA-N 1 0 290.363 3.094 20 5 CGBDRO CCC[C@@]1([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])CCOC1 ZINC000381202055 336054803 /nfs/dbraw/zinc/05/48/03/336054803.db2.gz KPGWTAPYXQROHB-CQSZACIVSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@H]1CCCC[C@@H]1[N@H+](C)CCOc1ccccc1[N+](=O)[O-] ZINC000195670112 336058079 /nfs/dbraw/zinc/05/80/79/336058079.db2.gz YPSLIALVKOZYAK-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000449217519 534254316 /nfs/dbraw/zinc/25/43/16/534254316.db2.gz ZRUWLSGEYPXGIZ-GXTWGEPZSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1ccccn1 ZINC000449214127 534254407 /nfs/dbraw/zinc/25/44/07/534254407.db2.gz WBDMGCQOPOCKQP-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000087710182 520576386 /nfs/dbraw/zinc/57/63/86/520576386.db2.gz RKYOSAJPNYCLBV-GJZGRUSLSA-N 1 0 290.363 3.032 20 5 CGBDRO CC[C@H]([NH2+][C@H](CCO)C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000185195870 522745843 /nfs/dbraw/zinc/74/58/43/522745843.db2.gz COHRHJPCVWIVKF-LSDHHAIUSA-N 1 0 294.395 3.433 20 5 CGBDRO COc1ccc(C[NH2+]C[C@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000045630609 524072160 /nfs/dbraw/zinc/07/21/60/524072160.db2.gz NNXGWRAKBORMEO-LBPRGKRZSA-N 1 0 276.336 3.049 20 5 CGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173438131 527835563 /nfs/dbraw/zinc/83/55/63/527835563.db2.gz DAYIGLHLLNVUNR-CZUORRHYSA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000411166027 528046101 /nfs/dbraw/zinc/04/61/01/528046101.db2.gz TZLDRFRYJMUKOZ-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC[C@H](C)CCO)cc1[N+](=O)[O-] ZINC000449357019 528100268 /nfs/dbraw/zinc/10/02/68/528100268.db2.gz JQAXQECJSUUXGF-ZDUSSCGKSA-N 1 0 294.395 3.216 20 5 CGBDRO CC[NH+](CC)CCSCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000434805341 528163548 /nfs/dbraw/zinc/16/35/48/528163548.db2.gz XDDJRGJVRIAYBW-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178118541 528223718 /nfs/dbraw/zinc/22/37/18/528223718.db2.gz SERMIMYTMJNKQC-JKSUJKDBSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000355064701 528425498 /nfs/dbraw/zinc/42/54/98/528425498.db2.gz SSAPQFAQQXXWFX-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CCC([NH3+])(CC)CN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423282585 528950879 /nfs/dbraw/zinc/95/08/79/528950879.db2.gz CTXAXEUZLWIFEC-LBPRGKRZSA-N 1 0 279.384 3.071 20 5 CGBDRO CC[C@@H]([NH2+]CCCC1(O)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000421850063 529160980 /nfs/dbraw/zinc/16/09/80/529160980.db2.gz CREACRHKSCGBAH-OAHLLOKOSA-N 1 0 292.379 3.331 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)c1cnn(C)c1)c1cccc([N+](=O)[O-])c1 ZINC000163911816 529205962 /nfs/dbraw/zinc/20/59/62/529205962.db2.gz TYRCSTGHWAFXJA-IAQYHMDHSA-N 1 0 288.351 3.130 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000449399999 529212579 /nfs/dbraw/zinc/21/25/79/529212579.db2.gz GMIUCLWWRVYRGM-IUCCYITESA-N 1 0 292.379 3.259 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000745170846 572803315 /nfs/dbraw/zinc/80/33/15/572803315.db2.gz UFWCBTTYAAKHIG-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CC(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963150 618035117 /nfs/dbraw/zinc/03/51/17/618035117.db2.gz ZZZMTEXDHVIIDL-UHFFFAOYSA-N 1 0 256.733 3.384 20 5 CGBDRO COCCCCC[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000234595040 618435237 /nfs/dbraw/zinc/43/52/37/618435237.db2.gz MIJLETUYMOAYFZ-UHFFFAOYSA-N 1 0 286.759 3.155 20 5 CGBDRO Cc1ccccc1CC[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000061014196 618659638 /nfs/dbraw/zinc/65/96/38/618659638.db2.gz JXXIWASUGKXBKL-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO C[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C[C@H]1C ZINC000091439858 618666520 /nfs/dbraw/zinc/66/65/20/618666520.db2.gz AMBNDRHPNVBJCP-AOOOYVTPSA-N 1 0 268.744 3.336 20 5 CGBDRO CS[C@H](C)C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000162674897 619127303 /nfs/dbraw/zinc/12/73/03/619127303.db2.gz BRKOBRDOPOXRCM-MRVPVSSYSA-N 1 0 274.773 3.089 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]CCOCC1CCC1 ZINC000893617375 619242416 /nfs/dbraw/zinc/24/24/16/619242416.db2.gz SHCIZGKDUJEDFM-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CN(Cc1cccc([N+](=O)[O-])c1Br)CC1CC1 ZINC000234281164 619298184 /nfs/dbraw/zinc/29/81/84/619298184.db2.gz IYLMJQQEHWQRDB-UHFFFAOYSA-N 1 0 299.168 3.199 20 5 CGBDRO O=[N+]([O-])CC[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000791051377 619431439 /nfs/dbraw/zinc/43/14/39/619431439.db2.gz CELYKPMYUHHFBN-UHFFFAOYSA-N 1 0 262.353 3.098 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCc2ccns2)cc1Cl ZINC000895529605 619842777 /nfs/dbraw/zinc/84/27/77/619842777.db2.gz RTWWPKXKEACNMN-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1CC=CCC1 ZINC000088748412 620214604 /nfs/dbraw/zinc/21/46/04/620214604.db2.gz CHRXPRYMNZFSKG-LBPRGKRZSA-N 1 0 266.728 3.447 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2cccc(F)c2)cc1[N+](=O)[O-] ZINC000035017669 620230802 /nfs/dbraw/zinc/23/08/02/620230802.db2.gz HJDOMHWKFIHHHH-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1ccnnc1)c1cccc([N+](=O)[O-])c1 ZINC000925231080 620252933 /nfs/dbraw/zinc/25/29/33/620252933.db2.gz RNRYSTTWMOADFE-ABAIWWIYSA-N 1 0 286.335 3.187 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1CCOCC1 ZINC000897451463 620338231 /nfs/dbraw/zinc/33/82/31/620338231.db2.gz NDZLRYVFKYGFLW-UHFFFAOYSA-N 1 0 292.379 3.137 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000897466020 620340455 /nfs/dbraw/zinc/34/04/55/620340455.db2.gz MJRHAZUMZMWPEJ-OLZOCXBDSA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@H](C[NH2+]C[C@@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465461 620340730 /nfs/dbraw/zinc/34/07/30/620340730.db2.gz WVHUQBMZFOGLOQ-NEPJUHHUSA-N 1 0 280.393 3.041 20 5 CGBDRO Cc1ncc(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])s1 ZINC000897469241 620341736 /nfs/dbraw/zinc/34/17/36/620341736.db2.gz GSKGSWXYNYRQEC-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000925308115 620395591 /nfs/dbraw/zinc/39/55/91/620395591.db2.gz BGJVAZCUPDZLME-UKRRQHHQSA-N 1 0 280.368 3.014 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cc1[N+](=O)[O-] ZINC000897952930 620454385 /nfs/dbraw/zinc/45/43/85/620454385.db2.gz LNQCIIMSCKZARU-MGPQQGTHSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)c1cccnc1)c1ccccc1[N+](=O)[O-] ZINC000901642684 620959838 /nfs/dbraw/zinc/95/98/38/620959838.db2.gz MHINZKKTOAZMPV-QWHCGFSZSA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000901669042 620975590 /nfs/dbraw/zinc/97/55/90/620975590.db2.gz GFJAJJAQMPGJJD-MMMKDXCPSA-N 1 0 260.337 3.434 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCCCSC)cc([N+](=O)[O-])c1 ZINC000903098450 621571975 /nfs/dbraw/zinc/57/19/75/621571975.db2.gz PABALPFUQOMEKI-NSHDSACASA-N 1 0 298.408 3.397 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H]2CCC[C@@H]12)c1cccc([N+](=O)[O-])c1 ZINC000903315786 621686595 /nfs/dbraw/zinc/68/65/95/621686595.db2.gz HLBHFTAORFTRIJ-OBCWZRDOSA-N 1 0 260.337 3.434 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903333271 621689225 /nfs/dbraw/zinc/68/92/25/621689225.db2.gz YNUCXPQQNXZLGE-MNOVXSKESA-N 1 0 298.358 3.068 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903333270 621689765 /nfs/dbraw/zinc/68/97/65/621689765.db2.gz YNUCXPQQNXZLGE-GHMZBOCLSA-N 1 0 298.358 3.068 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000903406236 621729845 /nfs/dbraw/zinc/72/98/45/621729845.db2.gz TWWCFJKTUGEUOB-HZPDHXFCSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]3CCC[C@@H]32)cc1F ZINC000094774908 623489988 /nfs/dbraw/zinc/48/99/88/623489988.db2.gz LNZXNSDBKNTIAJ-JSGCOSHPSA-N 1 0 278.327 3.498 20 5 CGBDRO CCCC[N@H+](Cn1ncc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000914784107 623860206 /nfs/dbraw/zinc/86/02/06/623860206.db2.gz ZBTCKKNAELVZSN-UHFFFAOYSA-N 1 0 288.351 3.167 20 5 CGBDRO CC(C)[N@H+](CC1CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000915207893 623917128 /nfs/dbraw/zinc/91/71/28/623917128.db2.gz IEYJTWRWPUZXTO-UHFFFAOYSA-N 1 0 288.351 3.022 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCc3ccccc3C2)cc1 ZINC000237980151 624712105 /nfs/dbraw/zinc/71/21/05/624712105.db2.gz BDPGSUZWJJODOV-QGZVFWFLSA-N 1 0 296.370 3.284 20 5 CGBDRO CC(C)C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776582539 628220987 /nfs/dbraw/zinc/22/09/87/628220987.db2.gz VESRHNFNICOZHC-CVEARBPZSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC1(CC)CC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776591936 628222073 /nfs/dbraw/zinc/22/20/73/628222073.db2.gz LRIKYZCDLYMYJJ-OAHLLOKOSA-N 1 0 292.379 3.140 20 5 CGBDRO CC[C@@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589702 628222227 /nfs/dbraw/zinc/22/22/27/628222227.db2.gz VMDPOHNCUUOFFG-HOTGVXAUSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)c1ccc[nH]1 ZINC000783650874 628735381 /nfs/dbraw/zinc/73/53/81/628735381.db2.gz QHDKTTVUIRZLTN-VIFPVBQESA-N 1 0 279.727 3.427 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783653293 628735932 /nfs/dbraw/zinc/73/59/32/628735932.db2.gz ZZHMJOIWMQGSJU-ZYHUDNBSSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(CN2CC=CCC2)cc1Cl ZINC000783658958 628736528 /nfs/dbraw/zinc/73/65/28/628736528.db2.gz BKJLHIWXUJSWBQ-UHFFFAOYSA-N 1 0 252.701 3.010 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC1CCC1 ZINC000786818383 628965058 /nfs/dbraw/zinc/96/50/58/628965058.db2.gz XJIAOZVAZDIRIN-RAXLEYEMSA-N 1 0 290.363 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CC=CC1 ZINC000125429851 634699791 /nfs/dbraw/zinc/69/97/91/634699791.db2.gz YBGBUZQMGXGXTL-UHFFFAOYSA-N 1 0 252.701 3.056 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788628771 629070079 /nfs/dbraw/zinc/07/00/79/629070079.db2.gz PEBKYKXUYQEWPQ-HZMBPMFUSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@H]([NH2+]CCC1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788668854 629071476 /nfs/dbraw/zinc/07/14/76/629071476.db2.gz MMDZPBYIFKZOFD-JTQLQIEISA-N 1 0 263.341 3.018 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788668911 629071552 /nfs/dbraw/zinc/07/15/52/629071552.db2.gz BQCLPVQQLIJTQE-NXEZZACHSA-N 1 0 263.341 3.016 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875046 629389950 /nfs/dbraw/zinc/38/99/50/629389950.db2.gz XNAXJVDLGOXDKS-CMPLNLGQSA-N 1 0 293.323 3.266 20 5 CGBDRO C[C@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865565372 630191958 /nfs/dbraw/zinc/19/19/58/630191958.db2.gz WNRYNGFOKLCIMH-JTQLQIEISA-N 1 0 299.321 3.429 20 5 CGBDRO CCC[NH+]1CCC(CNc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000811788061 631120607 /nfs/dbraw/zinc/12/06/07/631120607.db2.gz XQMNAFQPBWOBRZ-UHFFFAOYSA-N 1 0 295.358 3.268 20 5 CGBDRO C[C@H]([NH2+]Cc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553805 631794253 /nfs/dbraw/zinc/79/42/53/631794253.db2.gz KIMTVLLJCAXEET-JTQLQIEISA-N 1 0 289.310 3.167 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@@]1(C)CCCO1 ZINC000815596522 631803768 /nfs/dbraw/zinc/80/37/68/631803768.db2.gz WZRPXKLQPQEWPO-IINYFYTJSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCS1 ZINC000866282266 633064692 /nfs/dbraw/zinc/06/46/92/633064692.db2.gz HBTSCRJBLYNFJJ-GWCFXTLKSA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C1(C2CC2)CC1 ZINC000866321983 633080726 /nfs/dbraw/zinc/08/07/26/633080726.db2.gz UZZSXRGXHIFATI-JTQLQIEISA-N 1 0 278.327 3.197 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@H]1CS[C@H](C)C1 ZINC000866372663 633108379 /nfs/dbraw/zinc/10/83/79/633108379.db2.gz IRWVXIJWIJFQLW-GIPNMCIBSA-N 1 0 298.383 3.149 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CC(C)(C)F ZINC000866409761 633126046 /nfs/dbraw/zinc/12/60/46/633126046.db2.gz SHCGCNBJZJRYOW-SECBINFHSA-N 1 0 272.295 3.003 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)Cc2ccc(F)cc2[N+](=O)[O-])o1 ZINC000866479557 633151924 /nfs/dbraw/zinc/15/19/24/633151924.db2.gz WOCLFBLFUQNWSF-JTQLQIEISA-N 1 0 292.310 3.356 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000866487116 633157374 /nfs/dbraw/zinc/15/73/74/633157374.db2.gz UWWFBPQPYNYDRN-SRVKXCTJSA-N 1 0 280.393 3.448 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866505980 633166534 /nfs/dbraw/zinc/16/65/34/633166534.db2.gz YJSILASRIMKINE-LLVKDONJSA-N 1 0 298.358 3.070 20 5 CGBDRO COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540699 633183570 /nfs/dbraw/zinc/18/35/70/633183570.db2.gz RTTHQAIMKURVTK-GJZGRUSLSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1(Cl)Cl ZINC000824764757 633284388 /nfs/dbraw/zinc/28/43/88/633284388.db2.gz CZYDCEXBDPJPCE-NSHDSACASA-N 1 0 289.162 3.268 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCCO1 ZINC000872016109 633937294 /nfs/dbraw/zinc/93/72/94/633937294.db2.gz FAFLFERVOZQOSD-ZYHUDNBSSA-N 1 0 296.392 3.146 20 5 CGBDRO CC(C)[N@H+](C)CCCN[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872021259 633942297 /nfs/dbraw/zinc/94/22/97/633942297.db2.gz PRVLHVBHOMVRSR-LBPRGKRZSA-N 1 0 297.374 3.115 20 5 CGBDRO COCC[C@H](C)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031830 633950928 /nfs/dbraw/zinc/95/09/28/633950928.db2.gz UHJSKHQBJZFESK-WDEREUQCSA-N 1 0 298.408 3.392 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070476 633991856 /nfs/dbraw/zinc/99/18/56/633991856.db2.gz CXIOSDGLYCSAHV-WOPDTQHZSA-N 1 0 296.342 3.057 20 5 CGBDRO COC1(C[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CCCC1 ZINC000872073705 633995733 /nfs/dbraw/zinc/99/57/33/633995733.db2.gz QTIJZNKKRRZAPX-NSHDSACASA-N 1 0 296.342 3.344 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872080639 634004021 /nfs/dbraw/zinc/00/40/21/634004021.db2.gz BFPQUTKVHUEIFE-QJPTWQEYSA-N 1 0 298.358 3.182 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CS[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872080171 634004462 /nfs/dbraw/zinc/00/44/62/634004462.db2.gz TUMQOIWCYLKPGS-UTLUCORTSA-N 1 0 284.356 3.279 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872081733 634006447 /nfs/dbraw/zinc/00/64/47/634006447.db2.gz JVVRKGJYZNNZOS-GMXVVIOVSA-N 1 0 298.358 3.182 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872093443 634018629 /nfs/dbraw/zinc/01/86/29/634018629.db2.gz VDTZFCZPDNZRNJ-JTQLQIEISA-N 1 0 284.331 3.200 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H](C)F ZINC000873128562 634251504 /nfs/dbraw/zinc/25/15/04/634251504.db2.gz VGYRAKSDYARJSC-JTQLQIEISA-N 1 0 254.305 3.049 20 5 CGBDRO CC(C)OC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CCC1 ZINC000873167027 634267826 /nfs/dbraw/zinc/26/78/26/634267826.db2.gz MPZXSEQECJMNOK-UHFFFAOYSA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1ccc(C[NH2+]CC2(OC(C)C)CCC2)cc1[N+](=O)[O-] ZINC000873167378 634269466 /nfs/dbraw/zinc/26/94/66/634269466.db2.gz UUJAUWZELPOLSR-UHFFFAOYSA-N 1 0 292.379 3.341 20 5 CGBDRO CC1(C)CCCC[C@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877095577 634983134 /nfs/dbraw/zinc/98/31/34/634983134.db2.gz RLMFWFWCWSOMEU-ORHYLEIMSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000877459970 635044956 /nfs/dbraw/zinc/04/49/56/635044956.db2.gz PQEIFKZALVCRPG-UWVGGRQHSA-N 1 0 275.308 3.014 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877464992 635047570 /nfs/dbraw/zinc/04/75/70/635047570.db2.gz QKJICWUAUOWISK-IWMBGFJWSA-N 1 0 292.383 3.053 20 5 CGBDRO CC[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)CCCO1 ZINC000877502124 635063682 /nfs/dbraw/zinc/06/36/82/635063682.db2.gz YWDYPMUKHMNQET-CQSZACIVSA-N 1 0 292.379 3.213 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)C2CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000877730308 635165916 /nfs/dbraw/zinc/16/59/16/635165916.db2.gz VLVVEJDFSAPCAM-JTQLQIEISA-N 1 0 284.306 3.427 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC[C@H]3CSC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000877738077 635170294 /nfs/dbraw/zinc/17/02/94/635170294.db2.gz JMAOJWAOKSEFSX-KBPBESRZSA-N 1 0 292.404 3.088 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000126725371 635225031 /nfs/dbraw/zinc/22/50/31/635225031.db2.gz JSJATUJRKQIKQR-QMTHXVAHSA-N 1 0 292.360 3.041 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@H](CF)C2)cc1[N+](=O)[O-] ZINC000880239075 635949759 /nfs/dbraw/zinc/94/97/59/635949759.db2.gz ULKTWLZYCIYXGV-CYBMUJFWSA-N 1 0 266.316 3.085 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000846214352 636160281 /nfs/dbraw/zinc/16/02/81/636160281.db2.gz QZXBREGYQIEXAF-NXEZZACHSA-N 1 0 265.357 3.262 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000883353911 636695769 /nfs/dbraw/zinc/69/57/69/636695769.db2.gz GSVBJZSMJPMMIO-HOTGVXAUSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000134984447 637060587 /nfs/dbraw/zinc/06/05/87/637060587.db2.gz APYKOFHPYQOMKF-SNVBAGLBSA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1COC2(CCC2)C1 ZINC000850526191 637105562 /nfs/dbraw/zinc/10/55/62/637105562.db2.gz TYHSWGSEMPSRNS-QWHCGFSZSA-N 1 0 290.363 3.265 20 5 CGBDRO C[C@@H]1CC(C)(C)CC[C@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140994 637432876 /nfs/dbraw/zinc/43/28/76/637432876.db2.gz UHQNKYLKPHSBFT-DGCLKSJQSA-N 1 0 277.368 3.294 20 5 CGBDRO C[C@@H](C1CCCCC1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC000886174963 637448661 /nfs/dbraw/zinc/44/86/61/637448661.db2.gz NIELSGIRMHLYQA-LBPRGKRZSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886241444 637468672 /nfs/dbraw/zinc/46/86/72/637468672.db2.gz YMYSSJNPTPRREX-BXUZGUMPSA-N 1 0 263.341 3.048 20 5 CGBDRO C[C@@H]1CCCC[C@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886241446 637468875 /nfs/dbraw/zinc/46/88/75/637468875.db2.gz YMYSSJNPTPRREX-RISCZKNCSA-N 1 0 263.341 3.048 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886280371 637481512 /nfs/dbraw/zinc/48/15/12/637481512.db2.gz CTSWCMXXKCCTTQ-VXGBXAGGSA-N 1 0 263.341 3.000 20 5 CGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000852710878 637698434 /nfs/dbraw/zinc/69/84/34/637698434.db2.gz AJZGAWFEPGBOLY-BJJXKVORSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)c1ncco1 ZINC000925467216 638506417 /nfs/dbraw/zinc/50/64/17/638506417.db2.gz QWFHMMSQKBHCRL-GFCCVEGCSA-N 1 0 289.335 3.256 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C(C)C)cc1[N+](=O)[O-] ZINC000926797614 638813330 /nfs/dbraw/zinc/81/33/30/638813330.db2.gz VEOCYQICHLPULW-HUUCEWRRSA-N 1 0 292.379 3.054 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000934396950 639601930 /nfs/dbraw/zinc/60/19/30/639601930.db2.gz SHDWTYZKEZVHBC-IUODEOHRSA-N 1 0 290.363 3.347 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH2+]C1(C2CCCCC2)CC1 ZINC000934788947 639676799 /nfs/dbraw/zinc/67/67/99/639676799.db2.gz UARQNFSLDBDISG-UHFFFAOYSA-N 1 0 275.352 3.192 20 5 CGBDRO CC[C@H](C)N(Cc1ccccc1)Cn1cc([N+](=O)[O-])cn1 ZINC000077441932 640238725 /nfs/dbraw/zinc/23/87/25/640238725.db2.gz UZKYJDOBTGZCHV-ZDUSSCGKSA-N 1 0 288.351 3.050 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084439922 640606466 /nfs/dbraw/zinc/60/64/66/640606466.db2.gz FEVLYFMHNOJQGC-NSHDSACASA-N 1 0 254.717 3.136 20 5 CGBDRO c1ccc2nc3c(cccc3NC3=CCC[NH2+]C3)nc2c1 ZINC001159728604 806162001 /nfs/dbraw/zinc/16/20/01/806162001.db2.gz ZWLKOQNSTMQQFE-UHFFFAOYSA-N 1 0 276.343 3.072 20 5 CGBDRO CC[C@@H]1C[C@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)CCO1 ZINC001254373772 806386719 /nfs/dbraw/zinc/38/67/19/806386719.db2.gz HJFXCVHDRHSIQB-MLGOLLRUSA-N 1 0 290.363 3.116 20 5 CGBDRO CCCC[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254475720 806412811 /nfs/dbraw/zinc/41/28/11/806412811.db2.gz INLYUOHRZQQUFD-UHFFFAOYSA-N 1 0 291.395 3.296 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])Nc1ccc(CC[NH3+])cc1 ZINC001254534947 806444721 /nfs/dbraw/zinc/44/47/21/806444721.db2.gz FOCWVDHCJWKXKQ-CYBMUJFWSA-N 1 0 299.374 3.139 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccoc1 ZINC001254541373 806446832 /nfs/dbraw/zinc/44/68/32/806446832.db2.gz GYDVWFOTHUJFTG-RYUDHWBXSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC001254551117 806447408 /nfs/dbraw/zinc/44/74/08/806447408.db2.gz YJTKJKLKYPVAHB-SNPRPXQTSA-N 1 0 274.364 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)Cc1ccccn1 ZINC001254550134 806448059 /nfs/dbraw/zinc/44/80/59/806448059.db2.gz DFMQSPRBOLPBLP-ZDUSSCGKSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](CF)C1 ZINC001254563292 806451687 /nfs/dbraw/zinc/45/16/87/806451687.db2.gz WEMZUXNIHUEZFH-OLZOCXBDSA-N 1 0 280.343 3.207 20 5 CGBDRO C[C@]1(F)CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594983 806457089 /nfs/dbraw/zinc/45/70/89/806457089.db2.gz ULRWKXUOHVZHNO-HOTGVXAUSA-N 1 0 292.354 3.276 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CCC1CCCC1)C2 ZINC001254572513 806454595 /nfs/dbraw/zinc/45/45/95/806454595.db2.gz PHKQEBUVRIZLES-OAHLLOKOSA-N 1 0 274.364 3.232 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587085 806455474 /nfs/dbraw/zinc/45/54/74/806455474.db2.gz VCBUXMBDICOPLH-KGLIPLIRSA-N 1 0 274.364 3.230 20 5 CGBDRO C[C@@H]1CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H]1C ZINC001254595986 806456775 /nfs/dbraw/zinc/45/67/75/806456775.db2.gz ASPJBHTVGXNUED-XNJGSVPQSA-N 1 0 288.391 3.430 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCC[C@H]3CCC[C@@H]31)C2 ZINC001254604007 806460335 /nfs/dbraw/zinc/46/03/35/806460335.db2.gz SAPNOXLRMDBGSQ-JLZZUVOBSA-N 1 0 286.375 3.327 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@H]1CCC[NH2+]C[C@H]1C ZINC001162472632 806594411 /nfs/dbraw/zinc/59/44/11/806594411.db2.gz YJQNIMGBVZHIOV-ZYHUDNBSSA-N 1 0 295.358 3.090 20 5 CGBDRO COCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000037999855 798883528 /nfs/dbraw/zinc/88/35/28/798883528.db2.gz RFBVCERHFPAYMQ-UHFFFAOYSA-N 1 0 286.331 3.031 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000453232895 799635451 /nfs/dbraw/zinc/63/54/51/799635451.db2.gz VIJDPWSDFMBRSJ-GLQYFDAESA-N 1 0 290.363 3.203 20 5 CGBDRO COC1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000703796916 799930312 /nfs/dbraw/zinc/93/03/12/799930312.db2.gz JZWSSWNBJNDRJY-UHFFFAOYSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000714701092 800127479 /nfs/dbraw/zinc/12/74/79/800127479.db2.gz RXBWUPNXQBZNOF-CQDKDKBSSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2CCC=CCC2)cc1 ZINC000718081804 800210716 /nfs/dbraw/zinc/21/07/16/800210716.db2.gz DHXHBTFECFUODS-UHFFFAOYSA-N 1 0 260.337 3.226 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)C(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000720258812 800255177 /nfs/dbraw/zinc/25/51/77/800255177.db2.gz RBZNWTZUCCVIFU-BXUZGUMPSA-N 1 0 280.368 3.449 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC=CC2)cs1 ZINC000724206369 800356855 /nfs/dbraw/zinc/35/68/55/800356855.db2.gz XVJDPEFOUSYALJ-UHFFFAOYSA-N 1 0 252.339 3.102 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(OC(C)C)cc1N[C@H](C)C[NH+](C)C ZINC001163785036 806828056 /nfs/dbraw/zinc/82/80/56/806828056.db2.gz AHLKMHUSEGUUOW-GFCCVEGCSA-N 1 0 295.383 3.052 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886830124 800547044 /nfs/dbraw/zinc/54/70/44/800547044.db2.gz MIWIMYMCCXRDHN-XJKCOSOUSA-N 1 0 290.363 3.157 20 5 CGBDRO C[N@@H+]1CCC[C@H](CCNc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC001165278400 806985033 /nfs/dbraw/zinc/98/50/33/806985033.db2.gz GFCQRXLJTKWUGX-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO CCC1(CC)CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC001167656269 807224012 /nfs/dbraw/zinc/22/40/12/807224012.db2.gz HQVHKDWGIJKNOG-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO CC(C)CC[C@@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001167905644 807271048 /nfs/dbraw/zinc/27/10/48/807271048.db2.gz SMARQLRXFVOZAI-AWEZNQCLSA-N 1 0 294.399 3.119 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1CC(C)(C)O1 ZINC001168457590 807422806 /nfs/dbraw/zinc/42/28/06/807422806.db2.gz ZDMKWCZAZJPCTJ-OAHLLOKOSA-N 1 0 277.432 3.262 20 5 CGBDRO CC(C)Oc1cccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168966568 807542958 /nfs/dbraw/zinc/54/29/58/807542958.db2.gz JNLGOEWAMWXCAE-CABCVRRESA-N 1 0 292.379 3.009 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C1 ZINC001168967715 807544002 /nfs/dbraw/zinc/54/40/02/807544002.db2.gz SPNNBAGOLCDEAR-QMCVRULOSA-N 1 0 292.423 3.238 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCCC2)C1 ZINC001168968427 807544010 /nfs/dbraw/zinc/54/40/10/807544010.db2.gz YYHBHHBBQADZIX-HOCLYGCPSA-N 1 0 288.391 3.491 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168976755 807544746 /nfs/dbraw/zinc/54/47/46/807544746.db2.gz GBXILRIKHFLADC-GPCCPHFNSA-N 1 0 284.306 3.061 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)C1 ZINC001168976333 807545192 /nfs/dbraw/zinc/54/51/92/807545192.db2.gz CUVAPZSZMXITBT-RIEGTJTDSA-N 1 0 294.782 3.362 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001168987321 807546916 /nfs/dbraw/zinc/54/69/16/807546916.db2.gz IGQWNAIQXNBABJ-CHWSQXEVSA-N 1 0 290.354 3.237 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C1 ZINC001168992053 807548166 /nfs/dbraw/zinc/54/81/66/807548166.db2.gz JETUINTYSFIZRN-DOMZBBRYSA-N 1 0 292.354 3.240 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCCc2ccccc2)C1 ZINC001168988313 807548371 /nfs/dbraw/zinc/54/83/71/807548371.db2.gz QTMKHAVHOMEQDF-JKSUJKDBSA-N 1 0 276.380 3.044 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)ccc1F ZINC001169000308 807549250 /nfs/dbraw/zinc/54/92/50/807549250.db2.gz XLHVXHLFAQHCGK-JBLDHEPKSA-N 1 0 284.306 3.061 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001169006337 807550629 /nfs/dbraw/zinc/55/06/29/807550629.db2.gz XOTUGKLKNYBWDQ-COLVAYQJSA-N 1 0 298.333 3.451 20 5 CGBDRO C[C@H]1C[N@@H+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169011950 807553629 /nfs/dbraw/zinc/55/36/29/807553629.db2.gz NWCILOGBMVJJHI-YDHLFZDLSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2ccccc2)C1 ZINC001169037098 807555711 /nfs/dbraw/zinc/55/57/11/807555711.db2.gz IXTMVHHOAMPIBJ-CWRNSKLLSA-N 1 0 274.364 3.269 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC(c3cccs3)CC2)C1 ZINC001169029003 807556355 /nfs/dbraw/zinc/55/63/55/807556355.db2.gz TUHSYAANUQBLEM-TZMCWYRMSA-N 1 0 294.420 3.373 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC(c3cccs3)CC2)C1 ZINC001169029000 807556360 /nfs/dbraw/zinc/55/63/60/807556360.db2.gz TUHSYAANUQBLEM-JSGCOSHPSA-N 1 0 294.420 3.373 20 5 CGBDRO CC[N@H+](Cc1cccs1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169039797 807556779 /nfs/dbraw/zinc/55/67/79/807556779.db2.gz UBIRATXVKBRBBY-NWDGAFQWSA-N 1 0 268.382 3.015 20 5 CGBDRO C[N@H+](CCc1ccccc1Cl)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169037733 807557084 /nfs/dbraw/zinc/55/70/84/807557084.db2.gz TWXODCDUEHUBTQ-TZMCWYRMSA-N 1 0 296.798 3.260 20 5 CGBDRO CCCC[NH+](CCCC)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038100 807557584 /nfs/dbraw/zinc/55/75/84/807557584.db2.gz VIIVNYKRXVZYLY-UONOGXRCSA-N 1 0 256.390 3.334 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169042805 807557776 /nfs/dbraw/zinc/55/77/76/807557776.db2.gz FWTMBBXHSVRGKP-APHBMKBZSA-N 1 0 292.354 3.408 20 5 CGBDRO C[NH+](C)CCC(C)(C)Nc1cc([N+](=O)[O-])cc2cc[nH]c21 ZINC001169718812 807697667 /nfs/dbraw/zinc/69/76/67/807697667.db2.gz YPUHSAGQZMSQCU-UHFFFAOYSA-N 1 0 290.367 3.218 20 5 CGBDRO CC1(C)CN(Cc2ccc(F)cc2[N+](=O)[O-])C1(C)C ZINC001261638234 807771612 /nfs/dbraw/zinc/77/16/12/807771612.db2.gz UWJAYXXSWZJHIH-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)C)c([N+](=O)[O-])c1 ZINC001170295528 807818173 /nfs/dbraw/zinc/81/81/73/807818173.db2.gz UQLJBEHGIDUSFX-LLVKDONJSA-N 1 0 280.368 3.170 20 5 CGBDRO COc1ccc(C[C@@H](C)NC(=[NH2+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC001170299250 807820618 /nfs/dbraw/zinc/82/06/18/807820618.db2.gz TZVUTWAJHQCARL-SNVBAGLBSA-N 1 0 293.367 3.147 20 5 CGBDRO CCCC[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329526 807826300 /nfs/dbraw/zinc/82/63/00/807826300.db2.gz QMYFKOCSPUVXGC-GFCCVEGCSA-N 1 0 280.368 3.266 20 5 CGBDRO CC1(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896958 808474541 /nfs/dbraw/zinc/47/45/41/808474541.db2.gz UYYKLKXJILHOFH-CQSZACIVSA-N 1 0 274.364 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccccn1)CC2 ZINC001172897840 808475047 /nfs/dbraw/zinc/47/50/47/808475047.db2.gz DVEYBMWYSRVIJE-HNNXBMFYSA-N 1 0 297.358 3.027 20 5 CGBDRO C[C@H]1CC[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906878 808475807 /nfs/dbraw/zinc/47/58/07/808475807.db2.gz ZDJQUYYCRAJDQF-WFASDCNBSA-N 1 0 274.364 3.184 20 5 CGBDRO CC[C@H](C)C[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899042 808476141 /nfs/dbraw/zinc/47/61/41/808476141.db2.gz SELSFPUGPXOTCL-SWLSCSKDSA-N 1 0 276.380 3.478 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@@H](F)C1)CC2 ZINC001172908498 808476212 /nfs/dbraw/zinc/47/62/12/808476212.db2.gz DAQSMVQYKKXEKT-CABCVRRESA-N 1 0 292.354 3.276 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC(C)C2)c1F ZINC001173175170 808532189 /nfs/dbraw/zinc/53/21/89/808532189.db2.gz LFYLXRKXYQVEBI-YVNMAJEFSA-N 1 0 296.342 3.062 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H](F)C1 ZINC001173211630 808537185 /nfs/dbraw/zinc/53/71/85/808537185.db2.gz UNHLSKNUZBKDNW-RAIGVLPGSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCc2cccnc21 ZINC001173217943 808538750 /nfs/dbraw/zinc/53/87/50/808538750.db2.gz NOEFDSWXGXJWEW-MLGOLLRUSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccsc1 ZINC001173212612 808538958 /nfs/dbraw/zinc/53/89/58/808538958.db2.gz BPAFGFDVTQOPES-GFCCVEGCSA-N 1 0 290.388 3.420 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]1[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173222964 808539875 /nfs/dbraw/zinc/53/98/75/808539875.db2.gz VVJMSKBDMNBINZ-CJNGLKHVSA-N 1 0 292.379 3.027 20 5 CGBDRO CO[C@H]1CCC[C@@H]([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173228780 808541153 /nfs/dbraw/zinc/54/11/53/808541153.db2.gz KIESYUUEXPSHAV-XPKDYRNWSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccccn1 ZINC001173225341 808541368 /nfs/dbraw/zinc/54/13/68/808541368.db2.gz JMCWXUQZDOWIHW-CYBMUJFWSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1(CC2CC2)CC1 ZINC001173229317 808543149 /nfs/dbraw/zinc/54/31/49/808543149.db2.gz MRIMGKXOMDZUPD-LBPRGKRZSA-N 1 0 274.364 3.448 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@@H](C)Cc2ccc([N+](=O)[O-])cc2)cn1 ZINC001173231004 808543293 /nfs/dbraw/zinc/54/32/93/808543293.db2.gz IGYLAENHWASBTR-AWEZNQCLSA-N 1 0 299.374 3.361 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC1CCC1 ZINC001173235840 808544754 /nfs/dbraw/zinc/54/47/54/808544754.db2.gz VERLCTUCLRPBAI-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@@H]1CC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236877 808545761 /nfs/dbraw/zinc/54/57/61/808545761.db2.gz FRAGMPMYUYZCBS-CHWSQXEVSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H]1C[C@H](C)CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001176244116 809654354 /nfs/dbraw/zinc/65/43/54/809654354.db2.gz VQIPUEQXSAYYAF-ZIAGYGMSSA-N 1 0 292.379 3.342 20 5 CGBDRO CC[N@H+](CCSC)Cc1c(C)ccc([N+](=O)[O-])c1C ZINC001182743108 810122522 /nfs/dbraw/zinc/12/25/22/810122522.db2.gz MGNVEGDZIMYYDZ-UHFFFAOYSA-N 1 0 282.409 3.397 20 5 CGBDRO CCCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC001191359800 810705086 /nfs/dbraw/zinc/70/50/86/810705086.db2.gz YQEZLSLCQJNDOG-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO COC[C@H](C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-])C(C)C ZINC001194683964 811106640 /nfs/dbraw/zinc/10/66/40/811106640.db2.gz SJLXNRBHSNTNOX-ZDUSSCGKSA-N 1 0 294.395 3.338 20 5 CGBDRO C[NH+](C)Cc1ccc(Nc2ccccc2[N+](=O)[O-])cc1 ZINC001206164765 813221498 /nfs/dbraw/zinc/22/14/98/813221498.db2.gz QIZXKVRIFWLUNT-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO C[NH2+][C@H]1C[C@H](Oc2ccc(-c3ccccc3[N+](=O)[O-])cc2)C1 ZINC001217954573 816015099 /nfs/dbraw/zinc/01/50/99/816015099.db2.gz GVHGRWFEBJCSHH-CTYIDZIISA-N 1 0 298.342 3.391 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[NH2+]C2)c(Cl)cc1Cl ZINC001217959759 816017782 /nfs/dbraw/zinc/01/77/82/816017782.db2.gz GUMPTYCHNZBVFW-SSDOTTSWSA-N 1 0 291.134 3.032 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CCCC[NH2+]C1 ZINC001217972190 816024572 /nfs/dbraw/zinc/02/45/72/816024572.db2.gz QGKJRYHQRDJMTQ-ZDUSSCGKSA-N 1 0 286.331 3.269 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+]CC[C@H]1C ZINC001218028673 816063585 /nfs/dbraw/zinc/06/35/85/816063585.db2.gz WJZFMGNQMBNLEQ-BXKDBHETSA-N 1 0 298.770 3.324 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]CC[C@@H]2C)c([N+](=O)[O-])cc1Cl ZINC001218028469 816064056 /nfs/dbraw/zinc/06/40/56/816064056.db2.gz FZBQVNTWHLDNOO-TVQRCGJNSA-N 1 0 298.770 3.324 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(O[C@@H]3CC[NH2+]C3)cc2)c1 ZINC001218038779 816069806 /nfs/dbraw/zinc/06/98/06/816069806.db2.gz WSTBMQIXHFXWKB-MRXNPFEDSA-N 1 0 284.315 3.003 20 5 CGBDRO C[C@H]1C[C@H](Oc2ccc([N+](=O)[O-])c3ccccc23)CC[NH2+]1 ZINC001218048774 816074229 /nfs/dbraw/zinc/07/42/29/816074229.db2.gz GTNCGQZVUAYKLL-NWDGAFQWSA-N 1 0 286.331 3.267 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1Cl ZINC001218062761 816082117 /nfs/dbraw/zinc/08/21/17/816082117.db2.gz WFNVRWBZKQWZIT-NXEZZACHSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1OC1CC2(C1)CCC[NH2+]C2 ZINC001218253793 816142904 /nfs/dbraw/zinc/14/29/04/816142904.db2.gz LYSXRDRUWLNXKH-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@H]1C=CC[NH2+]C1 ZINC001218333253 816170958 /nfs/dbraw/zinc/17/09/58/816170958.db2.gz HNPLXEBYJMBNPC-AWEZNQCLSA-N 1 0 276.339 3.295 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[C@@H](C)[NH2+]C1 ZINC001218400521 816193879 /nfs/dbraw/zinc/19/38/79/816193879.db2.gz VICGWMIWJOOCFD-ZJUUUORDSA-N 1 0 284.743 3.076 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OC(F)(F)c1ccc(F)c(F)c1F ZINC001222985527 816547719 /nfs/dbraw/zinc/54/77/19/816547719.db2.gz QDKPTOYYRODIIF-MRVPVSSYSA-N 1 0 298.275 3.265 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OC(Cl)(Cl)c1ccccc1 ZINC001223306384 816601879 /nfs/dbraw/zinc/60/18/79/816601879.db2.gz SLSLYWAGKVXIMW-NSHDSACASA-N 1 0 277.215 3.386 20 5 CGBDRO C[C@@H](O[C@H]1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429538 816628891 /nfs/dbraw/zinc/62/88/91/816628891.db2.gz LMKAPZITRDQBSH-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](OC1CC[NH+](C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC001223429441 816629006 /nfs/dbraw/zinc/62/90/06/816629006.db2.gz KMXQYJNRSVHYFE-LBPRGKRZSA-N 1 0 290.363 3.299 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1ccc(Br)cc1 ZINC001224770609 816877713 /nfs/dbraw/zinc/87/77/13/816877713.db2.gz CBZPJLCLHKPXKW-NSHDSACASA-N 1 0 287.221 3.233 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cccc(C(F)(F)F)c1 ZINC001225239430 816976630 /nfs/dbraw/zinc/97/66/30/816976630.db2.gz ZVBXWIGXROWUQR-JTQLQIEISA-N 1 0 262.295 3.179 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)cc2cccnc21 ZINC001225489118 817071836 /nfs/dbraw/zinc/07/18/36/817071836.db2.gz SLQRBBZAZONZPX-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccc(OC2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC001226951216 817514990 /nfs/dbraw/zinc/51/49/90/817514990.db2.gz WDEVYKALZHWFQF-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2ccc(O)cc21 ZINC001227571479 817673876 /nfs/dbraw/zinc/67/38/76/817673876.db2.gz GMWPDHZJLLWTQV-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO COc1ccc2cc(O[C@H](C)C[N+](C)(C)C)ccc2c1 ZINC001227654557 817688590 /nfs/dbraw/zinc/68/85/90/817688590.db2.gz UILSLSGTNVXSCA-CYBMUJFWSA-N 1 0 274.384 3.322 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cc(Cl)cc1F ZINC001227846567 817733056 /nfs/dbraw/zinc/73/30/56/817733056.db2.gz FOGLYYYTEXAPBU-MRVPVSSYSA-N 1 0 264.723 3.092 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1cc(Cl)cc([N+](=O)[O-])c1)C2 ZINC001228255289 817851962 /nfs/dbraw/zinc/85/19/62/817851962.db2.gz HFXJIVNKNBYSGJ-YABSGUDNSA-N 1 0 296.754 3.252 20 5 CGBDRO CCCC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001228466870 817912930 /nfs/dbraw/zinc/91/29/30/817912930.db2.gz UJADMBVBJYAGJF-ZDUSSCGKSA-N 1 0 264.389 3.143 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O)c2c1[C@@H]1CC[C@H]2C1 ZINC001231221092 818060199 /nfs/dbraw/zinc/06/01/99/818060199.db2.gz LQNGQPIFXRRWIO-RWMBFGLXSA-O 1 0 276.400 3.230 20 5 CGBDRO CCCOc1ccc(O[C@@H](C)C[N+](C)(C)C)c(F)c1F ZINC001229975095 928066017 /nfs/dbraw/zinc/06/60/17/928066017.db2.gz TWXSBQOLJBZAGI-NSHDSACASA-N 1 0 288.358 3.227 20 5 CGBDRO C[N@@H+]1CCC[C@H](CCNc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001458428272 937462140 /nfs/dbraw/zinc/46/21/40/937462140.db2.gz IPVSJDJMVIUENV-LLVKDONJSA-N 1 0 297.786 3.392 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC001460100078 937515524 /nfs/dbraw/zinc/51/55/24/937515524.db2.gz PURGOMRRFKAHSE-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO COCC1([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])CCC1 ZINC001460734315 937542491 /nfs/dbraw/zinc/54/24/91/937542491.db2.gz OGILZPCVQSAZKT-UHFFFAOYSA-N 1 0 298.770 3.249 20 5 CGBDRO Cc1ccc2ccnc(O[C@@H](C)C[N+](C)(C)C)c2c1 ZINC001229507202 932162871 /nfs/dbraw/zinc/16/28/71/932162871.db2.gz AEFUTBNRQQXAFY-ZDUSSCGKSA-N 1 0 259.373 3.017 20 5 CGBDRO Cc1c(C[NH2+]C[C@]2(C)C[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC001461686696 937592179 /nfs/dbraw/zinc/59/21/79/937592179.db2.gz XOTZUIRSDRLJRC-MIFYACCESA-N 1 0 274.364 3.429 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1Cl ZINC001229978268 932515303 /nfs/dbraw/zinc/51/53/03/932515303.db2.gz IVKFYELCHHCCCT-SNVBAGLBSA-N 1 0 284.743 3.030 20 5 CGBDRO CC(=O)c1ccc(Cl)cc1O[C@H](C)C[N+](C)(C)C ZINC001230297027 932555310 /nfs/dbraw/zinc/55/53/10/932555310.db2.gz FYDMRPRUGWKEJY-SNVBAGLBSA-N 1 0 270.780 3.016 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[N@@H+](C)CC2)cc([N+](=O)[O-])c1C ZINC001230472023 932575672 /nfs/dbraw/zinc/57/56/72/932575672.db2.gz YXUFWGAQEBVVFW-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO C[C@@H](Oc1ccc2[nH]c(N)[nH+]c2c1)c1ccccc1[N+](=O)[O-] ZINC001230516737 932583058 /nfs/dbraw/zinc/58/30/58/932583058.db2.gz SHYFZMSICSRQGC-SECBINFHSA-N 1 0 298.302 3.193 20 5 CGBDRO C[NH+](C)C1CCC(Oc2cccc(Cl)c2[N+](=O)[O-])CC1 ZINC001230914788 932641715 /nfs/dbraw/zinc/64/17/15/932641715.db2.gz KEQBGZCIDASIJA-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001307633853 932979223 /nfs/dbraw/zinc/97/92/23/932979223.db2.gz PPSCVQNCKPGNPX-DVOMOZLQSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]Cc2noc3ccccc23)cc1 ZINC001308936056 933207434 /nfs/dbraw/zinc/20/74/34/933207434.db2.gz UEKIUIPGEWDHOX-UHFFFAOYSA-N 1 0 297.314 3.068 20 5 CGBDRO CCC[N@H+](C)CC(C)(C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001472839228 937786132 /nfs/dbraw/zinc/78/61/32/937786132.db2.gz QZCITKOFWJHTDI-UHFFFAOYSA-N 1 0 283.347 3.266 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001333329397 935525754 /nfs/dbraw/zinc/52/57/54/935525754.db2.gz WWZDKLQPQVBGAF-GHORINQJSA-N 1 0 294.301 3.215 20 5 CGBDRO CC(C)C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC001474032568 937836776 /nfs/dbraw/zinc/83/67/76/937836776.db2.gz OJQVQSYCSNHMPV-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C1CC(C)(C)C1 ZINC001474215671 937844596 /nfs/dbraw/zinc/84/45/96/937844596.db2.gz FZCICTANOZKFFA-UHFFFAOYSA-N 1 0 262.353 3.490 20 5 CGBDRO CC[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1C ZINC001559769405 938235361 /nfs/dbraw/zinc/23/53/61/938235361.db2.gz OCGNKFNXZLRLPX-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC001559923410 938239162 /nfs/dbraw/zinc/23/91/62/938239162.db2.gz ZXISHRQPXMAKEN-FRRDWIJNSA-N 1 0 262.353 3.114 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CCC(C)CC1 ZINC001560720472 938272119 /nfs/dbraw/zinc/27/21/19/938272119.db2.gz XCSIEIFUQFGTOZ-UHFFFAOYSA-N 1 0 262.353 3.444 20 5 CGBDRO Cc1cc(NC[C@H]2CCCC[N@@H+]2C2CC2)c([N+](=O)[O-])s1 ZINC001559184435 960605585 /nfs/dbraw/zinc/60/55/85/960605585.db2.gz IBIFNPPPXRIZBV-GFCCVEGCSA-N 1 0 295.408 3.394 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590647174 346858427 /nfs/dbraw/zinc/85/84/27/346858427.db2.gz DNGLGGDBRAEJKH-YNEHKIRRSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH3+])CNc1cc(C)c([N+](=O)[O-])cc1C(F)(F)F ZINC000420260075 529453917 /nfs/dbraw/zinc/45/39/17/529453917.db2.gz IHYULTCSGMXXNJ-QMMMGPOBSA-N 1 0 291.273 3.071 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591061648 346897261 /nfs/dbraw/zinc/89/72/61/346897261.db2.gz BPKZLLPIXYRNNP-ZDUSSCGKSA-N 1 0 260.337 3.217 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000449204645 529650804 /nfs/dbraw/zinc/65/08/04/529650804.db2.gz JWMVTFZZCXQHOH-DUVNUKRYSA-N 1 0 292.379 3.073 20 5 CGBDRO CC1(C)SC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000338476608 214610590 /nfs/dbraw/zinc/61/05/90/214610590.db2.gz GKFUVAQICIUUSV-LLVKDONJSA-N 1 0 286.784 3.232 20 5 CGBDRO O=[N+]([O-])c1cc(-c2ccccc2)ccc1OC[C@H]1CC[NH2+]C1 ZINC000592158447 346967793 /nfs/dbraw/zinc/96/77/93/346967793.db2.gz CCLNBVMXJPVVNL-ZDUSSCGKSA-N 1 0 298.342 3.250 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000593118750 347042270 /nfs/dbraw/zinc/04/22/70/347042270.db2.gz YHURJBYHBRFGJJ-GXFFZTMASA-N 1 0 282.290 3.387 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@H](O)CC)c1cccc([N+](=O)[O-])c1 ZINC000128231299 187358997 /nfs/dbraw/zinc/35/89/97/187358997.db2.gz RNSBNWFJAGIUHS-CABCVRRESA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000040624218 344964910 /nfs/dbraw/zinc/96/49/10/344964910.db2.gz WZANQRZSOBKQEK-ZDUSSCGKSA-N 1 0 277.368 3.045 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000048070723 345060324 /nfs/dbraw/zinc/06/03/24/345060324.db2.gz DZPPQZFCJVQRPM-LLVKDONJSA-N 1 0 294.351 3.082 20 5 CGBDRO Cc1c(C[N@@H+](C)CCC(C)C)cccc1[N+](=O)[O-] ZINC000052246268 345100958 /nfs/dbraw/zinc/10/09/58/345100958.db2.gz UVPWERVPRFMKAU-UHFFFAOYSA-N 1 0 250.342 3.381 20 5 CGBDRO C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000063302174 345245169 /nfs/dbraw/zinc/24/51/69/345245169.db2.gz UZYJMUUQFJBQAD-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]3CCC[C@@H]32)cs1 ZINC000075769145 232175373 /nfs/dbraw/zinc/17/53/73/232175373.db2.gz FWDPOVFYRFGMJB-NEPJUHHUSA-N 1 0 266.366 3.421 20 5 CGBDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1Cc1cccc([N+](=O)[O-])c1C ZINC000074287810 345465262 /nfs/dbraw/zinc/46/52/62/345465262.db2.gz OJFRROQOVJAWAW-HZPDHXFCSA-N 1 0 292.379 3.029 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000147794749 232202300 /nfs/dbraw/zinc/20/23/00/232202300.db2.gz PXFLFQXYUIHVHN-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO CCC[NH+]1CCC(CNc2ccc([N+](=O)[O-])cc2)CC1 ZINC000091476544 345815624 /nfs/dbraw/zinc/81/56/24/345815624.db2.gz KDSRORRPPSXYBX-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC(C)(C)C[C@H](C)O)cc1[N+](=O)[O-] ZINC000090084771 345780965 /nfs/dbraw/zinc/78/09/65/345780965.db2.gz CXNWSMAMHCCCBQ-QWHCGFSZSA-N 1 0 294.395 3.351 20 5 CGBDRO CC[C@H](COC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000120203956 345996893 /nfs/dbraw/zinc/99/68/93/345996893.db2.gz VYQJGZZPQGTQDR-CYBMUJFWSA-N 1 0 280.368 3.233 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000121429502 346002363 /nfs/dbraw/zinc/00/23/63/346002363.db2.gz VJGRRHHGQXVRHE-BJJXKVORSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](Nc1ccc([N+](=O)[O-])c2cnccc12)c1ncc[nH]1 ZINC000139877449 346102135 /nfs/dbraw/zinc/10/21/35/346102135.db2.gz WGAIWEUMTGCEMF-SECBINFHSA-N 1 0 283.291 3.039 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cs1 ZINC000159734120 346168700 /nfs/dbraw/zinc/16/87/00/346168700.db2.gz MOWGWNFTMDCYBY-RYUDHWBXSA-N 1 0 266.366 3.421 20 5 CGBDRO CCc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000593591334 347093421 /nfs/dbraw/zinc/09/34/21/347093421.db2.gz TXKOJLKBDVQUMF-UHFFFAOYSA-N 1 0 270.332 3.447 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@H](C)C[N@@H+](C)C(C)C ZINC000311994647 346475533 /nfs/dbraw/zinc/47/55/33/346475533.db2.gz OXTBOOPQXVZUFY-GFCCVEGCSA-N 1 0 265.357 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCC(F)(F)C2)cc1 ZINC000312131829 346476235 /nfs/dbraw/zinc/47/62/35/346476235.db2.gz SUDGKARHQXXIMR-GFCCVEGCSA-N 1 0 284.306 3.162 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2c1CCC2 ZINC000593589750 347092461 /nfs/dbraw/zinc/09/24/61/347092461.db2.gz VGBAHLAULLQUIO-UHFFFAOYSA-N 1 0 282.343 3.373 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)cs1 ZINC000403390590 346596722 /nfs/dbraw/zinc/59/67/22/346596722.db2.gz HJKSICDTHZFIBP-ADEWGFFLSA-N 1 0 266.366 3.182 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cc1[N+](=O)[O-] ZINC000403435604 346596805 /nfs/dbraw/zinc/59/68/05/346596805.db2.gz YWTDOVAPCDVSKP-MELADBBJSA-N 1 0 260.337 3.181 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000594510038 347183233 /nfs/dbraw/zinc/18/32/33/347183233.db2.gz NLEHSESZGGWFCY-HZPDHXFCSA-N 1 0 290.363 3.032 20 5 CGBDRO COCC1(C[NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)CC1 ZINC000594514176 347184624 /nfs/dbraw/zinc/18/46/24/347184624.db2.gz HNPXGFONZQIEFU-MDWZMJQESA-N 1 0 290.363 3.014 20 5 CGBDRO CC1(C)[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(F)F ZINC000594992674 347250775 /nfs/dbraw/zinc/25/07/75/347250775.db2.gz VODAECXAVLGFLL-IYNGYCSASA-N 1 0 296.317 3.489 20 5 CGBDRO CC1(C)OCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000594997115 347252119 /nfs/dbraw/zinc/25/21/19/347252119.db2.gz XWBKHVXBUCBOMK-NSHDSACASA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]([NH2+]CCCOC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000594725505 347214264 /nfs/dbraw/zinc/21/42/64/347214264.db2.gz LGTYHSGGIHQPFP-GFCCVEGCSA-N 1 0 280.368 3.451 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CO1 ZINC000594930129 347232510 /nfs/dbraw/zinc/23/25/10/347232510.db2.gz SHKFFQQUUHKVKN-HOCLYGCPSA-N 1 0 292.379 3.075 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](OC)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595421803 347301036 /nfs/dbraw/zinc/30/10/36/347301036.db2.gz VJBLGJVEZIVETM-JKSUJKDBSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H](C)[C@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302046 347289257 /nfs/dbraw/zinc/28/92/57/347289257.db2.gz IQEFJHKGCHIIRN-ONGXEEELSA-N 1 0 281.356 3.290 20 5 CGBDRO COC1CCC([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595324249 347292004 /nfs/dbraw/zinc/29/20/04/347292004.db2.gz ZLIJYZKZKIMUDN-UHFFFAOYSA-N 1 0 296.342 3.123 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000595413634 347299193 /nfs/dbraw/zinc/29/91/93/347299193.db2.gz DLTSYNGFUDJMSY-IAQYHMDHSA-N 1 0 278.352 3.061 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC(C)C ZINC000595008879 347255736 /nfs/dbraw/zinc/25/57/36/347255736.db2.gz XDMRDXDMOFUAGI-LLVKDONJSA-N 1 0 266.341 3.300 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595011924 347256641 /nfs/dbraw/zinc/25/66/41/347256641.db2.gz CSGWLJUIGBHFFD-GFCCVEGCSA-N 1 0 296.367 3.071 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)SC ZINC000595035988 347265791 /nfs/dbraw/zinc/26/57/91/347265791.db2.gz OTIXHUXBYVWOAF-NXEZZACHSA-N 1 0 284.381 3.006 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000595422432 347300905 /nfs/dbraw/zinc/30/09/05/347300905.db2.gz XVYRQLUOZGVSNT-LRDDRELGSA-N 1 0 292.379 3.369 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595427447 347302303 /nfs/dbraw/zinc/30/23/03/347302303.db2.gz YESGVHQNXOFDBZ-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1noc(C[NH2+][C@H]2CCC(C)(C)C[C@H]2C)c1[N+](=O)[O-] ZINC000595441181 347303957 /nfs/dbraw/zinc/30/39/57/347303957.db2.gz USNHUDZWJJUERB-KOLCDFICSA-N 1 0 281.356 3.196 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000595498361 347312524 /nfs/dbraw/zinc/31/25/24/347312524.db2.gz RTERERIYOYSIFD-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO Cc1cc(NCC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596271668 347408635 /nfs/dbraw/zinc/40/86/35/347408635.db2.gz RZSKJBYIUJKYJH-LLVKDONJSA-N 1 0 283.397 3.109 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)c1 ZINC000595832017 347362704 /nfs/dbraw/zinc/36/27/04/347362704.db2.gz OQDLCJILUJQROL-QGZVFWFLSA-N 1 0 298.342 3.248 20 5 CGBDRO Cc1cc(OCc2cccc3c2CC[NH2+]C3)ccc1[N+](=O)[O-] ZINC000596068994 347379097 /nfs/dbraw/zinc/37/90/97/347379097.db2.gz CRPIBHRPYZOEAF-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1CC=CC1 ZINC000599066714 347713386 /nfs/dbraw/zinc/71/33/86/347713386.db2.gz XWNXCVQKBKLFGF-AWEZNQCLSA-N 1 0 258.321 3.138 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000599075042 347714977 /nfs/dbraw/zinc/71/49/77/347714977.db2.gz REGGXCLUQJMUEA-TVEHIPJCSA-N 1 0 278.352 3.057 20 5 CGBDRO COCC(C)(C)CNc1ccc2cnccc2c1[N+](=O)[O-] ZINC000599080055 347715001 /nfs/dbraw/zinc/71/50/01/347715001.db2.gz JNFRPMYTPOMHRR-UHFFFAOYSA-N 1 0 289.335 3.228 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@]32C)cc1[N+](=O)[O-] ZINC000599675857 347763867 /nfs/dbraw/zinc/76/38/67/347763867.db2.gz UOUQVGNBYXSTLG-BBRMVZONSA-N 1 0 290.363 3.368 20 5 CGBDRO C[N@@H+]1CCCC[C@@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599140575 347720550 /nfs/dbraw/zinc/72/05/50/347720550.db2.gz VXWPAYLWHWPAIF-JTQLQIEISA-N 1 0 299.321 3.017 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CC(F)(F)C1 ZINC000600136103 347783668 /nfs/dbraw/zinc/78/36/68/347783668.db2.gz PFSNQRNZRDJCRM-VIFPVBQESA-N 1 0 270.279 3.118 20 5 CGBDRO Cc1cc([C@H]2CCC[NH2+]2)ccc1-c1ccc([N+](=O)[O-])nc1 ZINC000600790172 347836797 /nfs/dbraw/zinc/83/67/97/347836797.db2.gz YBLPPDCAPBDNAL-OAHLLOKOSA-N 1 0 283.331 3.390 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601288907 347889222 /nfs/dbraw/zinc/88/92/22/347889222.db2.gz FMNMLZZKGHVHEC-XJKSGUPXSA-N 1 0 292.379 3.113 20 5 CGBDRO C[NH+](C)Cc1cccc(NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000601936586 347926640 /nfs/dbraw/zinc/92/66/40/347926640.db2.gz VPQCQNKUCHDPHX-UHFFFAOYSA-N 1 0 299.374 3.311 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)[C@H]2CC2(F)F)cccc1[N+](=O)[O-] ZINC000602020189 347934030 /nfs/dbraw/zinc/93/40/30/347934030.db2.gz LCSRWBSNLPJVLH-GXSJLCMTSA-N 1 0 270.279 3.037 20 5 CGBDRO CCC[C@@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602502847 347971240 /nfs/dbraw/zinc/97/12/40/347971240.db2.gz JOQPBAMMHDSBHZ-SECBINFHSA-N 1 0 263.297 3.014 20 5 CGBDRO CCC[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602502848 347971663 /nfs/dbraw/zinc/97/16/63/347971663.db2.gz JOQPBAMMHDSBHZ-VIFPVBQESA-N 1 0 263.297 3.014 20 5 CGBDRO CC1(C2([NH2+]Cc3nc4cc([N+](=O)[O-])ccc4o3)CC2)CC1 ZINC000602683922 348008265 /nfs/dbraw/zinc/00/82/65/348008265.db2.gz XXUAJXAKOPQXSB-UHFFFAOYSA-N 1 0 287.319 3.158 20 5 CGBDRO C[C@H](CC1CCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602741276 348022349 /nfs/dbraw/zinc/02/23/49/348022349.db2.gz HOPRUJPKJAJKGK-SNVBAGLBSA-N 1 0 289.335 3.404 20 5 CGBDRO CC(C)[NH+](CCNc1ccc([N+](=O)[O-])s1)C(C)C ZINC000604408734 348119728 /nfs/dbraw/zinc/11/97/28/348119728.db2.gz DBRPWWVXYPDJNE-UHFFFAOYSA-N 1 0 271.386 3.187 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000603836717 348097504 /nfs/dbraw/zinc/09/75/04/348097504.db2.gz LURWRERKEVQGEZ-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CC[NH+](CC)[C@@H](CNc1cccnc1[N+](=O)[O-])CC(C)C ZINC000603845631 348098206 /nfs/dbraw/zinc/09/82/06/348098206.db2.gz CGTVLIBXCDTWMF-CYBMUJFWSA-N 1 0 294.399 3.158 20 5 CGBDRO CC[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C[C@@H]1CCOC1 ZINC000609705530 348351392 /nfs/dbraw/zinc/35/13/92/348351392.db2.gz RMFCYLHXKPSCAO-NSHDSACASA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C2CC2)cs1 ZINC000609133525 348336987 /nfs/dbraw/zinc/33/69/87/348336987.db2.gz FMDUFIIIELUXGV-LLVKDONJSA-N 1 0 252.339 3.031 20 5 CGBDRO CC(C)(C)[C@@H]1CCC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000609195373 348339790 /nfs/dbraw/zinc/33/97/90/348339790.db2.gz CJWHGEDHDTWZIU-HNNXBMFYSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccsc1[N+](=O)[O-] ZINC000609353981 348342785 /nfs/dbraw/zinc/34/27/85/348342785.db2.gz FEKTVHFQDSLUPC-PHIMTYICSA-N 1 0 283.397 3.331 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)c(F)c1 ZINC000610476531 348384595 /nfs/dbraw/zinc/38/45/95/348384595.db2.gz FHHNUAZOSMGDDY-CQSZACIVSA-N 1 0 264.300 3.108 20 5 CGBDRO O=[N+]([O-])c1sccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000609964795 348359039 /nfs/dbraw/zinc/35/90/39/348359039.db2.gz MLKYGRQHAICEOU-LBPRGKRZSA-N 1 0 295.408 3.111 20 5 CGBDRO Cc1ccc(Nc2cnn(-c3cc[nH+]cc3)c2)c([N+](=O)[O-])c1 ZINC000611083895 348421663 /nfs/dbraw/zinc/42/16/63/348421663.db2.gz KXLJBZAMBZIGLR-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO CCC(CC)[C@H](CNc1sccc1[N+](=O)[O-])[NH+](C)C ZINC000611411323 348448077 /nfs/dbraw/zinc/44/80/77/348448077.db2.gz DDWAHMUHMMABPI-LBPRGKRZSA-N 1 0 285.413 3.435 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000611941926 348482026 /nfs/dbraw/zinc/48/20/26/348482026.db2.gz FCGUOEMCDVHKLB-QWHCGFSZSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000612577476 348529572 /nfs/dbraw/zinc/52/95/72/348529572.db2.gz YSZQILIRLOFKCA-AWEZNQCLSA-N 1 0 286.331 3.486 20 5 CGBDRO C[NH+](C)CC1(CNc2sccc2[N+](=O)[O-])CCCC1 ZINC000612666770 348538342 /nfs/dbraw/zinc/53/83/42/348538342.db2.gz GGOYDCDOEGHMKT-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000358194949 233077387 /nfs/dbraw/zinc/07/73/87/233077387.db2.gz UEZVPURUIUCGFJ-QWRGUYRKSA-N 1 0 266.366 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCCO1)CCC2 ZINC000618561904 349106195 /nfs/dbraw/zinc/10/61/95/349106195.db2.gz CLHVIBCYTLIPER-GDBMZVCRSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@@H](CC1CCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618618921 349125721 /nfs/dbraw/zinc/12/57/21/349125721.db2.gz RGRASNVRZXNPPV-JTQLQIEISA-N 1 0 288.351 3.139 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619722634 349279153 /nfs/dbraw/zinc/27/91/53/349279153.db2.gz MKKCGNYAIWLHMU-GXSJLCMTSA-N 1 0 275.308 3.014 20 5 CGBDRO C[C@H]1C[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCO1 ZINC000271370214 191102433 /nfs/dbraw/zinc/10/24/33/191102433.db2.gz JNNYOTPDHNQGPK-CNPQOGTOSA-N 1 0 290.363 3.013 20 5 CGBDRO CC[NH+](CC)Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000122987156 187064507 /nfs/dbraw/zinc/06/45/07/187064507.db2.gz PUQNMSGBIRVNFL-UHFFFAOYSA-N 1 0 287.157 3.199 20 5 CGBDRO CC1CC([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000271450889 191145206 /nfs/dbraw/zinc/14/52/06/191145206.db2.gz FUHCBHSKZLVPMK-WDIPEOLASA-N 1 0 274.364 3.304 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CCOC)cc1[N+](=O)[O-] ZINC000153466369 188083299 /nfs/dbraw/zinc/08/32/99/188083299.db2.gz ZRIKIOMRJKKHKC-RYUDHWBXSA-N 1 0 296.367 3.069 20 5 CGBDRO CSC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000292443974 198290461 /nfs/dbraw/zinc/29/04/61/198290461.db2.gz OSWRWFXJYGOAEI-ZDUSSCGKSA-N 1 0 280.393 3.170 20 5 CGBDRO Cc1cnc(CC[N@@H+](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000157421331 188315898 /nfs/dbraw/zinc/31/58/98/188315898.db2.gz KZFXFRAISMZOIO-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC3(CCC3)CC2)c1 ZINC000411871243 235089328 /nfs/dbraw/zinc/08/93/28/235089328.db2.gz QOBJUTSXFJTYTG-UHFFFAOYSA-N 1 0 292.404 3.456 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CS[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000414220783 235367091 /nfs/dbraw/zinc/36/70/91/235367091.db2.gz CLCHUVOULGJRGL-ADEWGFFLSA-N 1 0 280.393 3.448 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC23CC3)o1 ZINC000424185712 236130989 /nfs/dbraw/zinc/13/09/89/236130989.db2.gz QGRHHQHMSSOMKI-HNNXBMFYSA-N 1 0 284.315 3.497 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC12CC2 ZINC000424334180 236151989 /nfs/dbraw/zinc/15/19/89/236151989.db2.gz YSKBZRKJSUEKNB-RISCZKNCSA-N 1 0 260.337 3.058 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000426831065 236317287 /nfs/dbraw/zinc/31/72/87/236317287.db2.gz CTHUTIPWDJQOEG-OKILXGFUSA-N 1 0 290.363 3.096 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCNc1c(F)cccc1[N+](=O)[O-] ZINC000341546654 216007675 /nfs/dbraw/zinc/00/76/75/216007675.db2.gz LCEWHPZERGBJGN-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO CC[C@H]([NH2+]CC[C@H](C)CCO)c1cccc([N+](=O)[O-])c1 ZINC000297227339 200120338 /nfs/dbraw/zinc/12/03/38/200120338.db2.gz HQPCKAHACBTHLL-WFASDCNBSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@]3(C)[C@@H](C2)C3(F)F)cccc1[N+](=O)[O-] ZINC000298321427 200393808 /nfs/dbraw/zinc/39/38/08/200393808.db2.gz QUFVDBDGGPFZBD-KGLIPLIRSA-N 1 0 296.317 3.380 20 5 CGBDRO CC1(C)CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000177072296 189026638 /nfs/dbraw/zinc/02/66/38/189026638.db2.gz ACMSUTYLUGEWDP-UHFFFAOYSA-N 1 0 289.335 3.358 20 5 CGBDRO CC(C)[N@H+](CCCF)Cc1ccc([N+](=O)[O-])cc1 ZINC000178329346 189107520 /nfs/dbraw/zinc/10/75/20/189107520.db2.gz JITDMVKURMCKMB-UHFFFAOYSA-N 1 0 254.305 3.165 20 5 CGBDRO C[C@@H]([NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000178362466 189110825 /nfs/dbraw/zinc/11/08/25/189110825.db2.gz QZKMARPVKNNHIS-IAQYHMDHSA-N 1 0 274.364 3.304 20 5 CGBDRO Cc1ccc(C[NH2+]CCC2(F)CCC2)cc1[N+](=O)[O-] ZINC000342228719 216269792 /nfs/dbraw/zinc/26/97/92/216269792.db2.gz ZILQGCOPQYRKFQ-UHFFFAOYSA-N 1 0 266.316 3.275 20 5 CGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1F ZINC000301475800 201021541 /nfs/dbraw/zinc/02/15/41/201021541.db2.gz WIDUBYFYNJMPLT-LBPRGKRZSA-N 1 0 295.358 3.045 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000301581601 201079604 /nfs/dbraw/zinc/07/96/04/201079604.db2.gz TYVBQMFJOOLYLG-CQSZACIVSA-N 1 0 291.395 3.436 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000301606012 201091949 /nfs/dbraw/zinc/09/19/49/201091949.db2.gz YNPJEHLIUVCLKD-VXGBXAGGSA-N 1 0 281.331 3.019 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCCOCC2)cccc1[N+](=O)[O-] ZINC000183346167 189355767 /nfs/dbraw/zinc/35/57/67/189355767.db2.gz OKSFBJPVBXDVOG-STQMWFEESA-N 1 0 278.352 3.123 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1c(F)cc([N+](=O)[O-])cc1F ZINC000301808231 201210999 /nfs/dbraw/zinc/21/09/99/201210999.db2.gz WWECRHAGOKCAHV-JTQLQIEISA-N 1 0 299.321 3.159 20 5 CGBDRO C[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@H]1c1ccccc1 ZINC000301826156 201220992 /nfs/dbraw/zinc/22/09/92/201220992.db2.gz FAMGAPPXJRHFPW-DOTOQJQBSA-N 1 0 297.358 3.452 20 5 CGBDRO CC(C)[C@H](CNc1sccc1[N+](=O)[O-])[NH+]1CCCC1 ZINC000301988391 201288560 /nfs/dbraw/zinc/28/85/60/201288560.db2.gz LIYHGASDHTXDQV-LBPRGKRZSA-N 1 0 283.397 3.189 20 5 CGBDRO C[C@H]1CSC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000449168262 239217560 /nfs/dbraw/zinc/21/75/60/239217560.db2.gz CYICFJDEEKNNQN-SWLSCSKDSA-N 1 0 294.420 3.259 20 5 CGBDRO CC1=CC[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000302157526 201371428 /nfs/dbraw/zinc/37/14/28/201371428.db2.gz ODJAQJNKTMRBEL-UHFFFAOYSA-N 1 0 295.770 3.312 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1(C)CCCS1 ZINC000449191132 239236308 /nfs/dbraw/zinc/23/63/08/239236308.db2.gz PDZCHSJDIWMKCV-IUODEOHRSA-N 1 0 294.420 3.401 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)Cc2ccoc2)cccc1[N+](=O)[O-] ZINC000449277106 239285658 /nfs/dbraw/zinc/28/56/58/239285658.db2.gz DOIVZJZSALAAAC-LLVKDONJSA-N 1 0 274.320 3.217 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000449265187 239277738 /nfs/dbraw/zinc/27/77/38/239277738.db2.gz PAHUFIHWPMQXEO-YRGRVCCFSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCCC1CCOCC1 ZINC000449354330 239341178 /nfs/dbraw/zinc/34/11/78/239341178.db2.gz MKQROQOMDNYTRR-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO CCC[N@H+](C)C[C@@H]1CCN(c2cccc(C)c2[N+](=O)[O-])C1 ZINC000275400255 193021392 /nfs/dbraw/zinc/02/13/92/193021392.db2.gz DQDOQKBIGXODTA-AWEZNQCLSA-N 1 0 291.395 3.071 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CCC=CO2)c1 ZINC000275866197 193149995 /nfs/dbraw/zinc/14/99/95/193149995.db2.gz UTNSINJDROOVBD-GFCCVEGCSA-N 1 0 282.727 3.031 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399894 243193867 /nfs/dbraw/zinc/19/38/67/243193867.db2.gz GAUQLIHJMKMOFB-SWLSCSKDSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000483871711 243302497 /nfs/dbraw/zinc/30/24/97/243302497.db2.gz PVOSPDCREOECJI-CORIIIEPSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1CC1(C)C ZINC000487572419 243452726 /nfs/dbraw/zinc/45/27/26/243452726.db2.gz LIVBKRMQTNHRKF-FZMZJTMJSA-N 1 0 262.353 3.162 20 5 CGBDRO CCC[C@@H]([NH2+]CCN(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000020024038 368793498 /nfs/dbraw/zinc/79/34/98/368793498.db2.gz NHVJRDZKZTUGCS-MRXNPFEDSA-N 1 0 293.411 3.367 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccccn2)cc1[N+](=O)[O-] ZINC000020089289 368799015 /nfs/dbraw/zinc/79/90/15/368799015.db2.gz IQBSGAQMOKFCRC-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CC1CC(F)(F)C1 ZINC000491585706 243805686 /nfs/dbraw/zinc/80/56/86/243805686.db2.gz GLYWSRLBXMRSPM-HYXAFXHYSA-N 1 0 282.290 3.243 20 5 CGBDRO CC(C)[NH+](CCN[C@@H](C)c1ccc([N+](=O)[O-])cc1)C(C)C ZINC000037176817 369074618 /nfs/dbraw/zinc/07/46/18/369074618.db2.gz KXMMEZFPOCNBCJ-AWEZNQCLSA-N 1 0 293.411 3.364 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000037255085 369078208 /nfs/dbraw/zinc/07/82/08/369078208.db2.gz ZYFLXJGVGBYRAL-AAEUAGOBSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)c1ccccc1 ZINC000037011379 369051803 /nfs/dbraw/zinc/05/18/03/369051803.db2.gz FZKOSJRZYZZMOR-LBPRGKRZSA-N 1 0 286.331 3.454 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccnc2)cc1[N+](=O)[O-] ZINC000037717950 369101911 /nfs/dbraw/zinc/10/19/11/369101911.db2.gz KBLWMPOIZSNVDR-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000330734047 203168381 /nfs/dbraw/zinc/16/83/81/203168381.db2.gz UJNNCZOBFMMNJL-UKRRQHHQSA-N 1 0 292.379 3.465 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCCO2)cc1[N+](=O)[O-] ZINC000042814391 369233488 /nfs/dbraw/zinc/23/34/88/369233488.db2.gz ZSPMSZGSXAFNJN-OCCSQVGLSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000494237340 244272142 /nfs/dbraw/zinc/27/21/42/244272142.db2.gz KHBOXLDHIJDQAS-HUBLWGQQSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H](C[NH+]1CCCCC1)Nc1ccc([N+](=O)[O-])cc1F ZINC000047873363 369330517 /nfs/dbraw/zinc/33/05/17/369330517.db2.gz RXXMHFVLQRIKRM-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCc2nccs2)c1 ZINC000060390886 369586757 /nfs/dbraw/zinc/58/67/57/369586757.db2.gz NCYQBIDUQZVTPV-UHFFFAOYSA-N 1 0 297.767 3.037 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000064350421 369653664 /nfs/dbraw/zinc/65/36/64/369653664.db2.gz PTYJHMHTVUZIKE-INIZCTEOSA-N 1 0 292.379 3.374 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000102926921 370314229 /nfs/dbraw/zinc/31/42/29/370314229.db2.gz OJLUJAPFMYRJON-AWEZNQCLSA-N 1 0 260.337 3.359 20 5 CGBDRO CS[C@@H]1CCC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000117393219 370590215 /nfs/dbraw/zinc/59/02/15/370590215.db2.gz VPWCRAXUWCXDKG-WDEREUQCSA-N 1 0 286.422 3.420 20 5 CGBDRO C[C@@H]1CCCC[N@@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000130634033 371048462 /nfs/dbraw/zinc/04/84/62/371048462.db2.gz YOAKWXSONYUWJB-GFCCVEGCSA-N 1 0 295.358 3.410 20 5 CGBDRO CCC([NH3+])(CC)CNc1c2ccccc2ncc1[N+](=O)[O-] ZINC000130604171 371045469 /nfs/dbraw/zinc/04/54/69/371045469.db2.gz RGYRCISKGALZIW-UHFFFAOYSA-N 1 0 288.351 3.072 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](C)N(C)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000131049588 371080273 /nfs/dbraw/zinc/08/02/73/371080273.db2.gz IUKYHCMTPVARMT-BLLLJJGKSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000132447891 371175232 /nfs/dbraw/zinc/17/52/32/371175232.db2.gz XYFMWMFFIMDVRI-YPMHNXCESA-N 1 0 280.393 3.449 20 5 CGBDRO Cc1ccoc1CN[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135152800 371395244 /nfs/dbraw/zinc/39/52/44/371395244.db2.gz LRLCQKPHNYKBPX-NSHDSACASA-N 1 0 260.293 3.347 20 5 CGBDRO Cc1cccc(CCCNc2nc(C)ccc2[N+](=O)[O-])n1 ZINC000286622673 371528036 /nfs/dbraw/zinc/52/80/36/371528036.db2.gz RIGOZYGMLRJYBG-UHFFFAOYSA-N 1 0 286.335 3.046 20 5 CGBDRO C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000153770258 371786692 /nfs/dbraw/zinc/78/66/92/371786692.db2.gz AGIINBYTVYHJQO-UHFFFAOYSA-N 1 0 272.304 3.449 20 5 CGBDRO COCC(C)(C)CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000290141718 371914770 /nfs/dbraw/zinc/91/47/70/371914770.db2.gz OBIHGLBUGGIOHZ-UHFFFAOYSA-N 1 0 294.395 3.446 20 5 CGBDRO CC[C@H](C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1)OC ZINC000290247941 371945334 /nfs/dbraw/zinc/94/53/34/371945334.db2.gz TWYPAVWSXHRUML-KGLIPLIRSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC1(CC)[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@H]1OC ZINC000344164208 217081408 /nfs/dbraw/zinc/08/14/08/217081408.db2.gz ILQBBKOHMFDLGL-GJZGRUSLSA-N 1 0 292.379 3.278 20 5 CGBDRO CO[C@](C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000291071291 372109570 /nfs/dbraw/zinc/10/95/70/372109570.db2.gz RTYPYJXJQBJRHZ-BIENSFFJSA-N 1 0 290.363 3.013 20 5 CGBDRO CCOCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290977724 372086330 /nfs/dbraw/zinc/08/63/30/372086330.db2.gz YFZDNFUVQOXOHM-UHFFFAOYSA-N 1 0 293.150 3.028 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000159281294 372126375 /nfs/dbraw/zinc/12/63/75/372126375.db2.gz BVYPJKGVBIKHSM-CQSZACIVSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@H]([NH2+]C1CCSCC1)c1ccc([N+](=O)[O-])cc1 ZINC000163267109 372457318 /nfs/dbraw/zinc/45/73/18/372457318.db2.gz IMOFEQRXWHUEOC-JTQLQIEISA-N 1 0 266.366 3.141 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000163887134 372498604 /nfs/dbraw/zinc/49/86/04/372498604.db2.gz RLJQEIXJGALHCT-NEPJUHHUSA-N 1 0 288.351 3.049 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C12CCC2 ZINC000344449821 217194010 /nfs/dbraw/zinc/19/40/10/217194010.db2.gz OMFODIHDSCGESE-NWDGAFQWSA-N 1 0 296.392 3.094 20 5 CGBDRO COC[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000172180525 372920379 /nfs/dbraw/zinc/92/03/79/372920379.db2.gz ITACYTNFXJKRPB-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO C[C@@H](Cc1ccncc1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000344749824 217300476 /nfs/dbraw/zinc/30/04/76/217300476.db2.gz BQQWTSOLQXSZME-YVZNUBBCSA-N 1 0 297.358 3.224 20 5 CGBDRO CCc1ncc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000296079787 373017194 /nfs/dbraw/zinc/01/71/94/373017194.db2.gz QMIDPZXKGSVSFG-JTQLQIEISA-N 1 0 291.376 3.465 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccnc1 ZINC000344851131 217332641 /nfs/dbraw/zinc/33/26/41/217332641.db2.gz KSQIIUBVFVNFQB-JYRVWZFOSA-N 1 0 283.331 3.183 20 5 CGBDRO CCOCCC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344859454 217336413 /nfs/dbraw/zinc/33/64/13/217336413.db2.gz OXBSCVUHHBIVFK-JLHYYAGUSA-N 1 0 278.352 3.014 20 5 CGBDRO COC[C@]1(C)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296702231 373222607 /nfs/dbraw/zinc/22/26/07/373222607.db2.gz MMVRFUFRZFWPAP-XJKSGUPXSA-N 1 0 292.379 3.323 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000446736674 373354102 /nfs/dbraw/zinc/35/41/02/373354102.db2.gz WCPMARGIIWCDBA-SNVBAGLBSA-N 1 0 268.744 3.480 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531436 373446501 /nfs/dbraw/zinc/44/65/01/373446501.db2.gz RCYJSVFZVOKIJA-HOTGVXAUSA-N 1 0 292.379 3.113 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@]1(C)CCCO1 ZINC000345044414 217394390 /nfs/dbraw/zinc/39/43/90/217394390.db2.gz PEESFZYWZDTYMK-RCBBPTIPSA-N 1 0 290.363 3.157 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@]1(C)CCCO1 ZINC000345044415 217395349 /nfs/dbraw/zinc/39/53/49/217395349.db2.gz PEESFZYWZDTYMK-WQMJKPAKSA-N 1 0 290.363 3.157 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@H](C)CCCCO)cc1[N+](=O)[O-] ZINC000449424256 373696795 /nfs/dbraw/zinc/69/67/95/373696795.db2.gz DIFNMKPVQAMYNI-ZDUSSCGKSA-N 1 0 294.395 3.359 20 5 CGBDRO CN(C[C@H]1CCC[N@H+](C)C1)c1ccc([N+](=O)[O-])cc1Cl ZINC000301280406 373726729 /nfs/dbraw/zinc/72/67/29/373726729.db2.gz JVBZXTBYKNJVOG-NSHDSACASA-N 1 0 297.786 3.026 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H](C)CC(C)(C)O ZINC000449454218 373737954 /nfs/dbraw/zinc/73/79/54/373737954.db2.gz YTZISGBPPKMMIW-LLBKUYECSA-N 1 0 292.379 3.137 20 5 CGBDRO C[C@@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896514 374211528 /nfs/dbraw/zinc/21/15/28/374211528.db2.gz GNQXACFBOOHHNI-BBRMVZONSA-N 1 0 290.363 3.158 20 5 CGBDRO C[C@@H]1CCC(C)(C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000451999620 374213442 /nfs/dbraw/zinc/21/34/42/374213442.db2.gz AVURKGGKSCTESW-SNVBAGLBSA-N 1 0 266.316 3.497 20 5 CGBDRO CC(C)[N@H+](C)C[C@H](C)Nc1c(Cl)cccc1[N+](=O)[O-] ZINC000311766453 374255241 /nfs/dbraw/zinc/25/52/41/374255241.db2.gz VOMMNQPJPWOCMT-JTQLQIEISA-N 1 0 285.775 3.389 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182743331 374321489 /nfs/dbraw/zinc/32/14/89/374321489.db2.gz UXQDMTNVHZNKPE-JSGCOSHPSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1ccc([C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C)cc1[N+](=O)[O-] ZINC000315029920 374324532 /nfs/dbraw/zinc/32/45/32/374324532.db2.gz WHBNENAXUNNFHZ-ZIAGYGMSSA-N 1 0 293.411 3.283 20 5 CGBDRO C/C=C/C[C@H](CO)[NH2+][C@@H](CCC)c1cccc([N+](=O)[O-])c1 ZINC000186504175 374863280 /nfs/dbraw/zinc/86/32/80/374863280.db2.gz JMXJZJZGNJYJCV-GCILFIKNSA-N 1 0 292.379 3.353 20 5 CGBDRO CCOC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C(C)C ZINC000188860765 375283184 /nfs/dbraw/zinc/28/31/84/375283184.db2.gz FRYIXVOLWJUUEX-OAHLLOKOSA-N 1 0 280.368 3.054 20 5 CGBDRO CCOC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000188867671 375284572 /nfs/dbraw/zinc/28/45/72/375284572.db2.gz SVDAGKCVXUPMDH-CQSZACIVSA-N 1 0 280.368 3.054 20 5 CGBDRO COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)[C@H]1CCC[C@@H]1C ZINC000487977021 375290007 /nfs/dbraw/zinc/29/00/07/375290007.db2.gz FMFLQOKXPCRBSX-BBRMVZONSA-N 1 0 292.379 3.232 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])O1 ZINC000189719903 375438364 /nfs/dbraw/zinc/43/83/64/375438364.db2.gz NSCVZQFPBXXOQK-HZRUHFOJSA-N 1 0 290.363 3.155 20 5 CGBDRO COCC[N@H+](Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000507159063 375679758 /nfs/dbraw/zinc/67/97/58/375679758.db2.gz GWVXFZIEBHQECV-UHFFFAOYSA-N 1 0 292.379 3.329 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000515422646 375813420 /nfs/dbraw/zinc/81/34/20/375813420.db2.gz DMBXQIQRZHUONF-OZVIIMIRSA-N 1 0 292.379 3.367 20 5 CGBDRO COCCCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192780636 375789493 /nfs/dbraw/zinc/78/94/93/375789493.db2.gz HWAHXJMEGXFCLA-MRXNPFEDSA-N 1 0 292.379 3.379 20 5 CGBDRO CSC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC000193653594 375903252 /nfs/dbraw/zinc/90/32/52/375903252.db2.gz OHZRYWOGHMKZKY-UHFFFAOYSA-N 1 0 286.784 3.233 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C[C@H]1C ZINC000336810629 375963375 /nfs/dbraw/zinc/96/33/75/375963375.db2.gz ISZMNBXRWORMCY-GHMZBOCLSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH+]1C2CCC1CC2 ZINC000534331670 375974767 /nfs/dbraw/zinc/97/47/67/375974767.db2.gz KDIXAOIVNGCFRY-HWKANZROSA-N 1 0 258.321 3.235 20 5 CGBDRO CSCCN(C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000194428727 376003092 /nfs/dbraw/zinc/00/30/92/376003092.db2.gz DQDUWZHIBLGTMD-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](C[C@H]1CC=CCC1)C2 ZINC000537625720 376185519 /nfs/dbraw/zinc/18/55/19/376185519.db2.gz RYZNGMWKYNGFNL-ZDUSSCGKSA-N 1 0 272.348 3.309 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000222135877 376229231 /nfs/dbraw/zinc/22/92/31/376229231.db2.gz TVWIWWPLLRTHQL-PWSUYJOCSA-N 1 0 266.366 3.059 20 5 CGBDRO CCC[C@H]([NH2+]CCC[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222524619 376236498 /nfs/dbraw/zinc/23/64/98/376236498.db2.gz FBRGQBHDRCSBMO-BBRMVZONSA-N 1 0 294.395 3.434 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCSC1)c1cccc([N+](=O)[O-])c1 ZINC000226384130 376356543 /nfs/dbraw/zinc/35/65/43/376356543.db2.gz SNWVAPJOIMPTDU-RISCZKNCSA-N 1 0 280.393 3.389 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000228854082 376452474 /nfs/dbraw/zinc/45/24/74/376452474.db2.gz OVZCHXFDILNEIR-RRFJBIMHSA-N 1 0 292.379 3.185 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230409386 376515076 /nfs/dbraw/zinc/51/50/76/376515076.db2.gz YJMLBAPMETVGQX-CJNGLKHVSA-N 1 0 292.379 3.452 20 5 CGBDRO C[NH2+]C[C@H](C)CNc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000234394128 376618543 /nfs/dbraw/zinc/61/85/43/376618543.db2.gz JUHXASWDLOIKIW-ZETCQYMHSA-N 1 0 292.166 3.169 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])CC1(C)C ZINC000544785680 376762459 /nfs/dbraw/zinc/76/24/59/376762459.db2.gz DZBSBVJQWODRNQ-GFCCVEGCSA-N 1 0 262.353 3.463 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](CC3CC3)C2)cs1 ZINC000339672266 376798219 /nfs/dbraw/zinc/79/82/19/376798219.db2.gz CCJODHQPKMJTAU-LLVKDONJSA-N 1 0 266.366 3.278 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000247148830 377167194 /nfs/dbraw/zinc/16/71/94/377167194.db2.gz WVOKDLVHKYLNHU-GXTWGEPZSA-N 1 0 293.411 3.284 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000248199901 377279079 /nfs/dbraw/zinc/27/90/79/377279079.db2.gz YHWHXVNCUBIXMO-HUBLWGQQSA-N 1 0 280.368 3.043 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])cc1F ZINC000562236780 377284916 /nfs/dbraw/zinc/28/49/16/377284916.db2.gz KSQRONVSMPFWQJ-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccccc1[N+](=O)[O-] ZINC000341102747 377397318 /nfs/dbraw/zinc/39/73/18/377397318.db2.gz NDPFPFAXAFHQIC-CHWSQXEVSA-N 1 0 277.368 3.270 20 5 CGBDRO CCC[NH+]1CCC(Nc2cc(C)ccc2[N+](=O)[O-])CC1 ZINC000094659557 249041688 /nfs/dbraw/zinc/04/16/88/249041688.db2.gz QLHUGRGJGVGGPF-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc(F)c(F)c2)cc1 ZINC000037668262 249003134 /nfs/dbraw/zinc/00/31/34/249003134.db2.gz YNAJTWPIAZREIY-UHFFFAOYSA-N 1 0 278.258 3.163 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)c(F)c1 ZINC000313286030 249090997 /nfs/dbraw/zinc/09/09/97/249090997.db2.gz DWYZCDRRUBZHNA-RYUDHWBXSA-N 1 0 278.327 3.356 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(CF)CCC1 ZINC000517741773 249269753 /nfs/dbraw/zinc/26/97/53/249269753.db2.gz WCQFKGGHUUAIIV-UTCJRWHESA-N 1 0 264.300 3.090 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1Cc2ccccc2C1 ZINC000575034175 377741581 /nfs/dbraw/zinc/74/15/81/377741581.db2.gz YYWYRVZVDYGOGS-UHFFFAOYSA-N 1 0 296.370 3.142 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccccc1[N+](=O)[O-] ZINC000266433902 378020408 /nfs/dbraw/zinc/02/04/08/378020408.db2.gz DVEGMGMEKZOQJE-FATJJJSSSA-N 1 0 290.363 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCC2CC2)C2CC2)cc1 ZINC000343939165 378138677 /nfs/dbraw/zinc/13/86/77/378138677.db2.gz WWFVGJXSVGBOHK-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C ZINC000578887088 378110031 /nfs/dbraw/zinc/11/00/31/378110031.db2.gz JDXRXCVZAOBNPN-UHFFFAOYSA-N 1 0 256.733 3.479 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCCC(C)(C)CO)cc1[N+](=O)[O-] ZINC000268970510 378163786 /nfs/dbraw/zinc/16/37/86/378163786.db2.gz HZUNRSQEGGELHZ-ZDUSSCGKSA-N 1 0 294.395 3.353 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000269024415 378175836 /nfs/dbraw/zinc/17/58/36/378175836.db2.gz CGWQKJBGFDMTDB-SUNKGSAMSA-N 1 0 266.341 3.059 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000347348755 218199816 /nfs/dbraw/zinc/19/98/16/218199816.db2.gz OWTVYOGHIBEDBB-KRWDZBQOSA-N 1 0 297.358 3.273 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000278214606 379319844 /nfs/dbraw/zinc/31/98/44/379319844.db2.gz KOBUDDYWZLMTAL-SNVBAGLBSA-N 1 0 281.312 3.123 20 5 CGBDRO C[C@@H]([NH2+]CC1(CCO)CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000266768572 190279791 /nfs/dbraw/zinc/27/97/91/190279791.db2.gz IMKIEMOAAWXAON-CYBMUJFWSA-N 1 0 292.379 3.188 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000280337135 379681045 /nfs/dbraw/zinc/68/10/45/379681045.db2.gz IDPIKMZMJKNXGO-INIZCTEOSA-N 1 0 292.379 3.028 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000352611028 379877053 /nfs/dbraw/zinc/87/70/53/379877053.db2.gz BFXJTGMBTXWMHR-CQSZACIVSA-N 1 0 266.316 3.356 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)CC1CC1 ZINC000388305255 379884280 /nfs/dbraw/zinc/88/42/80/379884280.db2.gz FFUUXGMTTPTGID-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000352899071 380025847 /nfs/dbraw/zinc/02/58/47/380025847.db2.gz GWVNCYALOWRFOX-BBRMVZONSA-N 1 0 292.379 3.136 20 5 CGBDRO Cc1cc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)on1 ZINC000353985659 380265752 /nfs/dbraw/zinc/26/57/52/380265752.db2.gz DIDIITSXYMUBNM-LBPRGKRZSA-N 1 0 289.335 3.093 20 5 CGBDRO CC(C)CC[N@H+](Cc1c([N+](=O)[O-])ncn1C)C1CCCC1 ZINC000355547783 380707271 /nfs/dbraw/zinc/70/72/71/380707271.db2.gz ABXXPJSRFBJGEP-UHFFFAOYSA-N 1 0 294.399 3.119 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C1(C2CC2)CC1 ZINC000539514722 288619063 /nfs/dbraw/zinc/61/90/63/288619063.db2.gz YXBIFFDRLXILIA-HYXAFXHYSA-N 1 0 258.321 3.140 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000356850437 380901269 /nfs/dbraw/zinc/90/12/69/380901269.db2.gz QLTAYLCYCCYTKP-GZBFAFLISA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)cc(C)n1 ZINC000421369011 380906495 /nfs/dbraw/zinc/90/64/95/380906495.db2.gz CHEJWXHKRPLCCG-UHFFFAOYSA-N 1 0 285.347 3.205 20 5 CGBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000356913712 380933950 /nfs/dbraw/zinc/93/39/50/380933950.db2.gz IAWHJRGWVVWFBM-JTQLQIEISA-N 1 0 292.360 3.083 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000357026167 380996977 /nfs/dbraw/zinc/99/69/77/380996977.db2.gz BTXSLFSCAJWZGV-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000357321734 381104522 /nfs/dbraw/zinc/10/45/22/381104522.db2.gz GPZRRPNJFFRVTM-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000361425807 381741754 /nfs/dbraw/zinc/74/17/54/381741754.db2.gz PMAOJUUSZONPHR-HNNXBMFYSA-N 1 0 296.342 3.125 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H](C)C1 ZINC000361642493 381853447 /nfs/dbraw/zinc/85/34/47/381853447.db2.gz JJSJGWJMNRHUPQ-XJKSGUPXSA-N 1 0 292.379 3.232 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H](C)C1 ZINC000361642492 381853496 /nfs/dbraw/zinc/85/34/96/381853496.db2.gz JJSJGWJMNRHUPQ-CZUORRHYSA-N 1 0 292.379 3.232 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)c([N+](=O)[O-])cc1F ZINC000362315821 381941567 /nfs/dbraw/zinc/94/15/67/381941567.db2.gz IOKFHZGORGQTFL-GHMZBOCLSA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@@H]([NH3+])CCNc1c(Cl)cc(Cl)cc1[N+](=O)[O-] ZINC000420152049 532963010 /nfs/dbraw/zinc/96/30/10/532963010.db2.gz CZODGRXRTLCVIV-ZCFIWIBFSA-N 1 0 278.139 3.051 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC23CCC3)cc1 ZINC000444784444 285110621 /nfs/dbraw/zinc/11/06/21/285110621.db2.gz NVVUOZJDULFXQV-UHFFFAOYSA-N 1 0 260.337 3.156 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]3CCC[C@H]32)cc1 ZINC000247520253 285112635 /nfs/dbraw/zinc/11/26/35/285112635.db2.gz NIBZRIXZXZSROZ-UKRRQHHQSA-N 1 0 260.337 3.359 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000158375938 285155165 /nfs/dbraw/zinc/15/51/65/285155165.db2.gz PLBWQIMOZGRPQR-WDEREUQCSA-N 1 0 295.770 3.287 20 5 CGBDRO CCCC[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1CC1 ZINC000311909739 542431195 /nfs/dbraw/zinc/43/11/95/542431195.db2.gz RZUWFUAFVMNTNS-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCOC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000287582964 196891093 /nfs/dbraw/zinc/89/10/93/196891093.db2.gz RCRZSUINWDLVJA-FPMFFAJLSA-N 1 0 292.379 3.226 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000282239757 195548139 /nfs/dbraw/zinc/54/81/39/195548139.db2.gz ZXXLUXGZGXANSI-HNNXBMFYSA-N 1 0 290.363 3.034 20 5 CGBDRO Cc1ccc(C[NH2+]CCOc2ccc([N+](=O)[O-])cc2)s1 ZINC000050225483 392062952 /nfs/dbraw/zinc/06/29/52/392062952.db2.gz DLRXACPHBUKLPG-UHFFFAOYSA-N 1 0 292.360 3.133 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCCC3(CC3)C2)cc1F ZINC000282639415 392293926 /nfs/dbraw/zinc/29/39/26/392293926.db2.gz BMYTUKPDOVRJNF-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO C[C@H](c1ccncc1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000127613160 392448091 /nfs/dbraw/zinc/44/80/91/392448091.db2.gz SRLRAYPHDHFMGK-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)O ZINC000295071824 392542798 /nfs/dbraw/zinc/54/27/98/392542798.db2.gz SDJOYOUHVWFHNK-FZMZJTMJSA-N 1 0 280.368 3.103 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H](C)CCCCO)cccc1[N+](=O)[O-] ZINC000296446493 392559458 /nfs/dbraw/zinc/55/94/58/392559458.db2.gz MOZWQYWEDIFPLW-AAEUAGOBSA-N 1 0 280.368 3.105 20 5 CGBDRO CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC1CC1 ZINC000504899903 392640745 /nfs/dbraw/zinc/64/07/45/392640745.db2.gz OCYVXXJKJKXEKO-LBPRGKRZSA-N 1 0 280.393 3.465 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/CN1CCC[C@H]1c1ncc[nH]1 ZINC000375353129 392771810 /nfs/dbraw/zinc/77/18/10/392771810.db2.gz OLRQZJNOZJHJTE-VFQAQYNWSA-N 1 0 298.346 3.168 20 5 CGBDRO CCC[C@@]1(CO)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000344236447 393041424 /nfs/dbraw/zinc/04/14/24/393041424.db2.gz MRJVRTVCBLJBLY-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821017 393060477 /nfs/dbraw/zinc/06/04/77/393060477.db2.gz GANLYISEMWTQCY-YMTOWFKASA-N 1 0 295.770 3.143 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCSC1 ZINC000469133711 393178484 /nfs/dbraw/zinc/17/84/84/393178484.db2.gz XEGHCLWVRYCWIA-BCNIOPEESA-N 1 0 292.404 3.483 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cncc(C)c1 ZINC000468589495 393155444 /nfs/dbraw/zinc/15/54/44/393155444.db2.gz KXGCDXGFRWPOPD-AWNIVKPZSA-N 1 0 297.358 3.491 20 5 CGBDRO COC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC(C)CC1 ZINC000355419965 393316374 /nfs/dbraw/zinc/31/63/74/393316374.db2.gz YGBROWRNOUMLNR-UHFFFAOYSA-N 1 0 298.408 3.341 20 5 CGBDRO Cc1ccc(C[NH2+]CC[C@H]2CCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000273083030 393271801 /nfs/dbraw/zinc/27/18/01/393271801.db2.gz QYTJMEYNRPZLPN-KGLIPLIRSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417344290 393349103 /nfs/dbraw/zinc/34/91/03/393349103.db2.gz PYSBAIAOJWBMCP-MKBNYLNASA-N 1 0 292.379 3.111 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000475154448 393378630 /nfs/dbraw/zinc/37/86/30/393378630.db2.gz QIVSLWHYMJLNOJ-WCQYABFASA-N 1 0 278.352 3.272 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCO1 ZINC000356304622 393416211 /nfs/dbraw/zinc/41/62/11/393416211.db2.gz JNNYOTPDHNQGPK-GNXSNYGWSA-N 1 0 290.363 3.013 20 5 CGBDRO CSC1(C[N@H+](C)CCc2cccc([N+](=O)[O-])c2)CCC1 ZINC000356306829 393416344 /nfs/dbraw/zinc/41/63/44/393416344.db2.gz RLHNBRVQMBEDTI-UHFFFAOYSA-N 1 0 294.420 3.355 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000479534832 393433210 /nfs/dbraw/zinc/43/32/10/393433210.db2.gz YEGAEIWIHFYBEH-GXTWGEPZSA-N 1 0 294.395 3.433 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)C1(C)C ZINC000484297782 393445109 /nfs/dbraw/zinc/44/51/09/393445109.db2.gz VJUQIQAJOQBRRH-KCPJHIHWSA-N 1 0 292.379 3.367 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000430215387 393540364 /nfs/dbraw/zinc/54/03/64/393540364.db2.gz GPMWPLHJHZNEIT-SWLSCSKDSA-N 1 0 290.363 3.368 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000429592242 393490268 /nfs/dbraw/zinc/49/02/68/393490268.db2.gz SIJNFNWTQXSMJT-SWLSCSKDSA-N 1 0 262.353 3.258 20 5 CGBDRO CC1=C[C@@H](C)CN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000430271459 393554312 /nfs/dbraw/zinc/55/43/12/393554312.db2.gz XXXMTQFBAXOSHT-SNVBAGLBSA-N 1 0 264.300 3.132 20 5 CGBDRO CC1(C)CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2)C1 ZINC000443958395 393778251 /nfs/dbraw/zinc/77/82/51/393778251.db2.gz FPSZJDZIZLIJSG-UHFFFAOYSA-N 1 0 277.368 3.129 20 5 CGBDRO CC[C@@H](C)[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000501125351 393847627 /nfs/dbraw/zinc/84/76/27/393847627.db2.gz IPTBIUVNXRCFSB-LLVKDONJSA-N 1 0 297.786 3.169 20 5 CGBDRO CC(C)C1([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000453220632 394210043 /nfs/dbraw/zinc/21/00/43/394210043.db2.gz JHIJNXNXUDHMNN-LBPRGKRZSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)nc1 ZINC000453441083 394245431 /nfs/dbraw/zinc/24/54/31/394245431.db2.gz XBVWARKFXCZHQL-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CSC2(C)C)cccc1[N+](=O)[O-] ZINC000549237458 289038708 /nfs/dbraw/zinc/03/87/08/289038708.db2.gz PSOFNOOYUFOGBR-MFKMUULPSA-N 1 0 280.393 3.448 20 5 CGBDRO CO[C@H]1C[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)CC[C@H]1C ZINC000189281784 286074206 /nfs/dbraw/zinc/07/42/06/286074206.db2.gz ZJEGICGRQLKHOE-XUJVJEKNSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)(C)O ZINC000295071826 286921656 /nfs/dbraw/zinc/92/16/56/286921656.db2.gz SDJOYOUHVWFHNK-SMDDNHRTSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@@H](c1ccco1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000069065473 165048867 /nfs/dbraw/zinc/04/88/67/165048867.db2.gz BMEZHAXOBYBUQM-LBPRGKRZSA-N 1 0 290.319 3.260 20 5 CGBDRO Cc1cscc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000094878038 165395861 /nfs/dbraw/zinc/39/58/61/165395861.db2.gz JWJRDHNEQDAARN-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000111254459 287133728 /nfs/dbraw/zinc/13/37/28/287133728.db2.gz ACLWFQKGMVBKBL-GFCCVEGCSA-N 1 0 250.342 3.115 20 5 CGBDRO CN(Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCSC1 ZINC000119551650 287170859 /nfs/dbraw/zinc/17/08/59/287170859.db2.gz PBIKLOPDWHLWAH-VIFPVBQESA-N 1 0 286.784 3.186 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122709516 287211862 /nfs/dbraw/zinc/21/18/62/287211862.db2.gz UHVOJLGJCDXDTR-CYBMUJFWSA-N 1 0 280.368 3.371 20 5 CGBDRO CC1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000035677585 172348753 /nfs/dbraw/zinc/34/87/53/172348753.db2.gz ADDABAPXPDTJHB-UHFFFAOYSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677618 172348779 /nfs/dbraw/zinc/34/87/79/172348779.db2.gz HYTLXXLSKUHVAL-IUODEOHRSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000035692066 172360533 /nfs/dbraw/zinc/36/05/33/172360533.db2.gz DNBRDNNHBCXBNZ-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1cccc(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)n1 ZINC000285400283 196272012 /nfs/dbraw/zinc/27/20/12/196272012.db2.gz CNBDMDYOBYPDKT-UHFFFAOYSA-N 1 0 285.347 3.021 20 5 CGBDRO C[C@@H]([NH2+]CCCOCC1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177144 173010558 /nfs/dbraw/zinc/01/05/58/173010558.db2.gz XIXWMXAXWWVEHJ-GFCCVEGCSA-N 1 0 278.352 3.062 20 5 CGBDRO CCC[C@H]([NH2+]C1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000037267002 173078041 /nfs/dbraw/zinc/07/80/41/173078041.db2.gz ISDBGMYMUCLACX-INIZCTEOSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)n1 ZINC000127261742 287284090 /nfs/dbraw/zinc/28/40/90/287284090.db2.gz PSLCEFACQTYFLW-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038028839 174018490 /nfs/dbraw/zinc/01/84/90/174018490.db2.gz XGOJFKQEHGHESM-ZIAGYGMSSA-N 1 0 291.395 3.120 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044516 174052058 /nfs/dbraw/zinc/05/20/58/174052058.db2.gz WINRYQMEXNWAKA-BBRMVZONSA-N 1 0 292.379 3.452 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000040675991 174373704 /nfs/dbraw/zinc/37/37/04/174373704.db2.gz QZTQHBHCVMXTMM-AWEZNQCLSA-N 1 0 250.342 3.162 20 5 CGBDRO Cc1ccc(-c2csc([C@@H](C)[NH3+])n2)cc1[N+](=O)[O-] ZINC000041162266 174503483 /nfs/dbraw/zinc/50/34/83/174503483.db2.gz BMNSMCWBLPAHJY-MRVPVSSYSA-N 1 0 263.322 3.046 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1nccs1 ZINC000127910736 287298942 /nfs/dbraw/zinc/29/89/42/287298942.db2.gz BGHDDSOZTOIBMI-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC=CCC1 ZINC000045630599 175381892 /nfs/dbraw/zinc/38/18/92/175381892.db2.gz OJWVBQXCADBBPZ-GFCCVEGCSA-N 1 0 276.336 3.049 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2csc(C3CC[NH2+]CC3)n2)c1 ZINC000053252483 175546225 /nfs/dbraw/zinc/54/62/25/175546225.db2.gz AEKFBCHGKKTFPV-UHFFFAOYSA-N 1 0 289.360 3.185 20 5 CGBDRO CC(C)C[NH+]1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000058789689 175628543 /nfs/dbraw/zinc/62/85/43/175628543.db2.gz AOGXIHKMCFWDEU-UHFFFAOYSA-N 1 0 295.358 3.266 20 5 CGBDRO Cc1cccnc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000071339611 176129727 /nfs/dbraw/zinc/12/97/27/176129727.db2.gz YAKLGCUOKWUTJJ-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO Cc1ccc(CN(Cc2ccc([N+](=O)[O-])cc2)C2CC2)nc1 ZINC000130662954 287360743 /nfs/dbraw/zinc/36/07/43/287360743.db2.gz QLPZOLOLJPLGQP-UHFFFAOYSA-N 1 0 297.358 3.463 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402085762 260240557 /nfs/dbraw/zinc/24/05/57/260240557.db2.gz XRISFILGUYFQRW-KYOSRNDESA-N 1 0 278.352 3.203 20 5 CGBDRO CCCC[N@H+](CCCO)[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000183114208 270054916 /nfs/dbraw/zinc/05/49/16/270054916.db2.gz QHIJNHKLRJXDPL-CQSZACIVSA-N 1 0 294.395 3.449 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1C[C@@H]1C ZINC000322056497 270093319 /nfs/dbraw/zinc/09/33/19/270093319.db2.gz QHLSZPBWBAUERR-CQDKDKBSSA-N 1 0 262.353 3.162 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000237936645 270091013 /nfs/dbraw/zinc/09/10/13/270091013.db2.gz CGJOHVONIOWMBG-HZPDHXFCSA-N 1 0 282.343 3.488 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCC1 ZINC000322867788 270094075 /nfs/dbraw/zinc/09/40/75/270094075.db2.gz VKRCWDCHXISOIO-HNNXBMFYSA-N 1 0 262.353 3.306 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C2CC3(CCC3)C2)c1 ZINC000459447828 270096381 /nfs/dbraw/zinc/09/63/81/270096381.db2.gz HMSZRCPFMGRADB-UHFFFAOYSA-N 1 0 260.337 3.060 20 5 CGBDRO CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H](C)C(C)C ZINC000521480847 270102072 /nfs/dbraw/zinc/10/20/72/270102072.db2.gz LALFKGZVHBGLIO-ZDUSSCGKSA-N 1 0 280.368 3.340 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000531439853 270206858 /nfs/dbraw/zinc/20/68/58/270206858.db2.gz AQFMQMZOQKCHTP-KRWDZBQOSA-N 1 0 297.358 3.369 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531959473 270211634 /nfs/dbraw/zinc/21/16/34/270211634.db2.gz DKSBFBSMVSNMHJ-KBPBESRZSA-N 1 0 293.411 3.284 20 5 CGBDRO COCC(C)(C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000429237003 274016789 /nfs/dbraw/zinc/01/67/89/274016789.db2.gz NTVILBFJNFDTSB-UHFFFAOYSA-N 1 0 286.759 3.105 20 5 CGBDRO CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278975108 274057055 /nfs/dbraw/zinc/05/70/55/274057055.db2.gz CLKWIOOXHNXAQA-PGUXBMHVSA-N 1 0 292.379 3.330 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192881790 274176894 /nfs/dbraw/zinc/17/68/94/274176894.db2.gz ZUGLKVVGXGMEQD-YGRLFVJLSA-N 1 0 280.393 3.313 20 5 CGBDRO CC(C)(O)CC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000279088454 275553289 /nfs/dbraw/zinc/55/32/89/275553289.db2.gz NESQZRRIGHDNNS-CQSZACIVSA-N 1 0 292.379 3.068 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000330605966 275741260 /nfs/dbraw/zinc/74/12/60/275741260.db2.gz NAJYDWWWQLFXEE-JSGCOSHPSA-N 1 0 292.379 3.375 20 5 CGBDRO CC[NH+](CC)CCC[C@H](C)Nc1cc(N)ccc1[N+](=O)[O-] ZINC000193366646 276097982 /nfs/dbraw/zinc/09/79/82/276097982.db2.gz WESOTDXXGJJTHZ-LBPRGKRZSA-N 1 0 294.399 3.099 20 5 CGBDRO COC[C@@H](C)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433153131 277560636 /nfs/dbraw/zinc/56/06/36/277560636.db2.gz OMJOSVMJNASLEN-NHYWBVRUSA-N 1 0 292.379 3.189 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000268900863 277642732 /nfs/dbraw/zinc/64/27/32/277642732.db2.gz OQFWCZYPLVMOMK-BYCMXARLSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000397607260 288024937 /nfs/dbraw/zinc/02/49/37/288024937.db2.gz BFFYJWJLTZXOJY-SMDDNHRTSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)[C@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000355358118 278268434 /nfs/dbraw/zinc/26/84/34/278268434.db2.gz XJYPWFGVANELQT-AVGNSLFASA-N 1 0 278.352 3.061 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CCC[C@@H]1C ZINC000487961170 288115983 /nfs/dbraw/zinc/11/59/83/288115983.db2.gz GOSCLJXUIPDJDU-ZFWWWQNUSA-N 1 0 292.379 3.232 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CCN(C)[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000156577017 280197763 /nfs/dbraw/zinc/19/77/63/280197763.db2.gz PXIVNDMNFXNQQC-IVMMDQJWSA-N 1 0 291.395 3.118 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000301571324 281261369 /nfs/dbraw/zinc/26/13/69/281261369.db2.gz KYAHNNAVBGFAQF-CHWSQXEVSA-N 1 0 277.368 3.188 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538192967 288562227 /nfs/dbraw/zinc/56/22/27/288562227.db2.gz NBSUWBIDXMOOAM-XJKCOSOUSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]2C(C)C)cccc1[N+](=O)[O-] ZINC000552067584 289158585 /nfs/dbraw/zinc/15/85/85/289158585.db2.gz PYPJYCNMGBFQAP-UONOGXRCSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000348413078 290025494 /nfs/dbraw/zinc/02/54/94/290025494.db2.gz PEQSXJJFBQFHKL-ZMLRMANQSA-N 1 0 252.289 3.136 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000441682092 290267996 /nfs/dbraw/zinc/26/79/96/290267996.db2.gz RKBSTJFNRDTMRN-MCIONIFRSA-N 1 0 290.363 3.014 20 5 CGBDRO O=[N+]([O-])c1ccccc1N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160446813 304807702 /nfs/dbraw/zinc/80/77/02/304807702.db2.gz DCVXQMYWJUPVMW-AWEZNQCLSA-N 1 0 289.379 3.050 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388233828 327857109 /nfs/dbraw/zinc/85/71/09/327857109.db2.gz NONQNNGGHDOMEV-HFAKWTLXSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1cc(OCc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000152793037 321706136 /nfs/dbraw/zinc/70/61/36/321706136.db2.gz DSLCILUTQHTEAD-UHFFFAOYSA-N 1 0 258.277 3.186 20 5 CGBDRO Cc1cc(OCc2cccc([N+](=O)[O-])c2C)cc(C)[nH+]1 ZINC000152790472 321706248 /nfs/dbraw/zinc/70/62/48/321706248.db2.gz OGTOTSVRJVQXNA-UHFFFAOYSA-N 1 0 272.304 3.494 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOCC1CC1 ZINC000162871402 321887740 /nfs/dbraw/zinc/88/77/40/321887740.db2.gz UCTZOXVPWNFUNZ-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)CO1 ZINC000566219954 322110239 /nfs/dbraw/zinc/11/02/39/322110239.db2.gz IEYVNAHIDMJLED-JRPNMDOOSA-N 1 0 290.363 3.084 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCc1cccs1 ZINC000566475530 322125092 /nfs/dbraw/zinc/12/50/92/322125092.db2.gz MKABDZOCMAJQJM-AWEZNQCLSA-N 1 0 288.372 3.476 20 5 CGBDRO CCC[C@@H](C)C[N@@H+]1CCOc2ccc([N+](=O)[O-])cc2C1 ZINC000566848923 322140349 /nfs/dbraw/zinc/14/03/49/322140349.db2.gz YBZRKDBTALNKDN-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCSc2ccc([N+](=O)[O-])cn2)C1 ZINC000569471497 322248461 /nfs/dbraw/zinc/24/84/61/322248461.db2.gz KSAFDHSQZVZLQR-RYUDHWBXSA-N 1 0 295.408 3.060 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1 ZINC000569866936 322259111 /nfs/dbraw/zinc/25/91/11/322259111.db2.gz DDJAKWWPSPEAJN-OAHLLOKOSA-N 1 0 268.316 3.372 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000570739276 322281158 /nfs/dbraw/zinc/28/11/58/322281158.db2.gz NKJVDWIAQGKBRQ-SQWLQELKSA-N 1 0 290.363 3.129 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1C[C@@H]1C ZINC000571947140 322313226 /nfs/dbraw/zinc/31/32/26/322313226.db2.gz QCCPDKDPAMVLBV-GXTWGEPZSA-N 1 0 262.353 3.461 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000583691762 328976666 /nfs/dbraw/zinc/97/66/66/328976666.db2.gz LDUZGLZPPNJJOZ-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)cccc1[N+](=O)[O-] ZINC000577007249 335278339 /nfs/dbraw/zinc/27/83/39/335278339.db2.gz MXKBHSTZKMFKFD-YUTCNCBUSA-N 1 0 260.337 3.181 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CC12CC2 ZINC000579814736 335891072 /nfs/dbraw/zinc/89/10/72/335891072.db2.gz DELKLFMCIVACKW-NWDGAFQWSA-N 1 0 260.337 3.354 20 5 CGBDRO C[C@H]1C[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581064556 336002587 /nfs/dbraw/zinc/00/25/87/336002587.db2.gz OCNZUOZIFKJMDF-STQMWFEESA-N 1 0 290.363 3.094 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000581278275 336035513 /nfs/dbraw/zinc/03/55/13/336035513.db2.gz PINQNDLOWLINOO-ZDUSSCGKSA-N 1 0 282.409 3.477 20 5 CGBDRO CCCC[N@H+](C)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(OC)c1 ZINC000581856868 336151890 /nfs/dbraw/zinc/15/18/90/336151890.db2.gz TZOLZZUGCCXTRA-GFCCVEGCSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000424340021 533955338 /nfs/dbraw/zinc/95/53/38/533955338.db2.gz CCYXXXJKFZBVSY-RVMXOQNASA-N 1 0 260.337 3.352 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000178431686 534226762 /nfs/dbraw/zinc/22/67/62/534226762.db2.gz ZRQPUNZXVBKVKS-GXTWGEPZSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](C)C1 ZINC000449265185 534254531 /nfs/dbraw/zinc/25/45/31/534254531.db2.gz PAHUFIHWPMQXEO-DYEKYZERSA-N 1 0 262.353 3.304 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000094266123 520361579 /nfs/dbraw/zinc/36/15/79/520361579.db2.gz POLOYHUYXQRQDH-SNVBAGLBSA-N 1 0 254.355 3.325 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000094942066 521175264 /nfs/dbraw/zinc/17/52/64/521175264.db2.gz QRBAQLLKUVLIRR-DOMZBBRYSA-N 1 0 280.368 3.187 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC[C@@H](C)C[NH+]1CCCC1 ZINC000157241777 524906851 /nfs/dbraw/zinc/90/68/51/524906851.db2.gz JAFPWTLNFGDPMP-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO CC1(CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000355139529 527925911 /nfs/dbraw/zinc/92/59/11/527925911.db2.gz SWBSTEMNUVABPU-GQCTYLIASA-N 1 0 260.337 3.388 20 5 CGBDRO CC[NH+](CC)CCCCNc1nc(C)cc(C)c1[N+](=O)[O-] ZINC000359097083 528099800 /nfs/dbraw/zinc/09/98/00/528099800.db2.gz MAXXVFUJFVGSIC-UHFFFAOYSA-N 1 0 294.399 3.141 20 5 CGBDRO CCC[C@@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000449378513 528955374 /nfs/dbraw/zinc/95/53/74/528955374.db2.gz XFUXKDAUJXERNC-PIZKADEWSA-N 1 0 278.352 3.013 20 5 CGBDRO CCSCCC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449306209 529177960 /nfs/dbraw/zinc/17/79/60/529177960.db2.gz KCBFFHTVGVCQHF-LBPRGKRZSA-N 1 0 282.409 3.259 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OC ZINC000449400001 529247559 /nfs/dbraw/zinc/24/75/59/529247559.db2.gz GMIUCLWWRVYRGM-WOLLIAJRSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1cccc2c1CCN(Cc1cccc([N+](=O)[O-])c1)C2 ZINC000729476710 571920621 /nfs/dbraw/zinc/92/06/21/571920621.db2.gz CTFVDKUZSFLHLM-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1(C)CC1 ZINC000726605703 572588852 /nfs/dbraw/zinc/58/88/52/572588852.db2.gz GXJBRNDYQNDJHB-HWPRWLFBSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@H](Cc1cccnc1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000934239932 618559612 /nfs/dbraw/zinc/55/96/12/618559612.db2.gz SNPSZMNNXULVQQ-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H]([N@H+](C)Cn1ncc2ccc([N+](=O)[O-])cc21)C1(C)CC1 ZINC000176829162 618742271 /nfs/dbraw/zinc/74/22/71/618742271.db2.gz NBQJJIDXQPGPCZ-NSHDSACASA-N 1 0 288.351 3.022 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)CC(F)(F)F)cccc1[N+](=O)[O-] ZINC000235455066 618794256 /nfs/dbraw/zinc/79/42/56/618794256.db2.gz NHHYPSFBCGGJEP-MRVPVSSYSA-N 1 0 276.258 3.334 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000049094101 619211700 /nfs/dbraw/zinc/21/17/00/619211700.db2.gz XREYEILLSFGHCR-QWRGUYRKSA-N 1 0 266.341 3.128 20 5 CGBDRO Cc1cc(F)ncc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000894656419 619596800 /nfs/dbraw/zinc/59/68/00/619596800.db2.gz AVTJXAQNHXYACC-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000896510465 620015688 /nfs/dbraw/zinc/01/56/88/620015688.db2.gz QASVLAQXWRTTIC-KBVBSXBZSA-N 1 0 270.279 3.289 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccccc1[N+](=O)[O-] ZINC000897464362 620340029 /nfs/dbraw/zinc/34/00/29/620340029.db2.gz LVINWMBLSMCDMH-HZSPNIEDSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccncc1F)c1ccccc1[N+](=O)[O-] ZINC000897463805 620340415 /nfs/dbraw/zinc/34/04/15/620340415.db2.gz JAISAVINBKSADV-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CCSCC[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463930 620340423 /nfs/dbraw/zinc/34/04/23/620340423.db2.gz CRWPSBMHOABRSE-NSHDSACASA-N 1 0 268.382 3.041 20 5 CGBDRO CC[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866215172 620519157 /nfs/dbraw/zinc/51/91/57/620519157.db2.gz UZCNMQFANYRRJQ-VHSXEESVSA-N 1 0 254.305 3.053 20 5 CGBDRO C[N@H+](Cc1cc(-c2ccc([N+](=O)[O-])o2)no1)C(C)(C)C ZINC000901398749 620875186 /nfs/dbraw/zinc/87/51/86/620875186.db2.gz IIRGAERASITBOF-UHFFFAOYSA-N 1 0 279.296 3.073 20 5 CGBDRO CCCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903056621 621546311 /nfs/dbraw/zinc/54/63/11/621546311.db2.gz WRHKCMHJUPVRIQ-JTQLQIEISA-N 1 0 252.314 3.054 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903172081 621611961 /nfs/dbraw/zinc/61/19/61/621611961.db2.gz URBWEEBVSLDSDZ-PKFCDNJMSA-N 1 0 296.392 3.006 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H](C)C(C)(C)OC)cc([N+](=O)[O-])c1 ZINC000903223931 621635043 /nfs/dbraw/zinc/63/50/43/621635043.db2.gz MVVOLGHTTUWFRI-WDEREUQCSA-N 1 0 296.367 3.068 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C/C=C\Cl)cc1[N+](=O)[O-] ZINC000903444323 621755267 /nfs/dbraw/zinc/75/52/67/621755267.db2.gz ORFJKSXCOBWIJB-ISGFRBBESA-N 1 0 284.743 3.397 20 5 CGBDRO CC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCOCC1 ZINC000227834469 623032295 /nfs/dbraw/zinc/03/22/95/623032295.db2.gz RJOPGQHBWXBLKK-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)C ZINC000094774257 623460888 /nfs/dbraw/zinc/46/08/88/623460888.db2.gz SWDYDAKLKUKAQY-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000324173818 623687301 /nfs/dbraw/zinc/68/73/01/623687301.db2.gz OVMDVDCZHYEVJF-LBPRGKRZSA-N 1 0 252.289 3.012 20 5 CGBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000154350443 624257991 /nfs/dbraw/zinc/25/79/91/624257991.db2.gz PDYJCKBHUJYINK-ZBFHGGJFSA-N 1 0 292.379 3.283 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000922580168 626015136 /nfs/dbraw/zinc/01/51/36/626015136.db2.gz ABNOSMZFUFAJHX-ZVTBTPLYSA-N 1 0 278.352 3.011 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](c2ccccn2)C2CC2)c1 ZINC000922584505 626017357 /nfs/dbraw/zinc/01/73/57/626017357.db2.gz ARCJGTJFINOBBA-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C(F)(F)F)cccc1[N+](=O)[O-] ZINC000922729002 626040365 /nfs/dbraw/zinc/04/03/65/626040365.db2.gz YPJLPXUMIGYXDB-WDEREUQCSA-N 1 0 288.269 3.191 20 5 CGBDRO CC1(C)C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000922950801 626106919 /nfs/dbraw/zinc/10/69/19/626106919.db2.gz DOLQWNZJQIBWTG-ZDUSSCGKSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1Cn1nc(C)c2cc([N+](=O)[O-])ccc21 ZINC000764972661 627234749 /nfs/dbraw/zinc/23/47/49/627234749.db2.gz OKBFRMIPUNNQAC-LBPRGKRZSA-N 1 0 288.351 3.085 20 5 CGBDRO CCCCC[C@@H]1CCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000767765003 627435698 /nfs/dbraw/zinc/43/56/98/627435698.db2.gz ZMQHRNZAKMFLPC-CQSZACIVSA-N 1 0 294.399 3.410 20 5 CGBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585572 628221066 /nfs/dbraw/zinc/22/10/66/628221066.db2.gz XBQXAFTXLLFKNO-GDBMZVCRSA-N 1 0 292.379 3.283 20 5 CGBDRO COCCC(C)(C)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783638544 628733925 /nfs/dbraw/zinc/73/39/25/628733925.db2.gz PWNGUKHDHADLRY-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783640901 628734918 /nfs/dbraw/zinc/73/49/18/628734918.db2.gz LEMVRHHFBIAJPT-ZYHUDNBSSA-N 1 0 298.770 3.153 20 5 CGBDRO CC1(C)CC[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)O1 ZINC000783679575 628739135 /nfs/dbraw/zinc/73/91/35/628739135.db2.gz KQVCBRJMIMHPOQ-LLVKDONJSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+]C[C@H]2CCc3ccccc32)c1 ZINC000790052407 629180290 /nfs/dbraw/zinc/18/02/90/629180290.db2.gz FUSVIFAKEVRKHU-MRXNPFEDSA-N 1 0 296.370 3.457 20 5 CGBDRO O=[N+]([O-])CC[N@@H+]1CCCCC[C@@H]1/C=C/c1ccccc1 ZINC000791051606 629253123 /nfs/dbraw/zinc/25/31/23/629253123.db2.gz GMMIBUNWAJITTH-SIFUEBAJSA-N 1 0 274.364 3.221 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865903 629387958 /nfs/dbraw/zinc/38/79/58/629387958.db2.gz CYOROTFKAOSBEH-GHMZBOCLSA-N 1 0 293.323 3.266 20 5 CGBDRO CSCCC[N@H+](C)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000798964734 630130463 /nfs/dbraw/zinc/13/04/63/630130463.db2.gz UGDNUMMNSQYGJQ-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO C[C@H]([NH2+]C1CCCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553458 631794101 /nfs/dbraw/zinc/79/41/01/631794101.db2.gz AVMBNDBFIMDKQE-JTQLQIEISA-N 1 0 263.341 3.160 20 5 CGBDRO C[C@@H]([NH2+]CC12CCC(CC1)C2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815599360 631804931 /nfs/dbraw/zinc/80/49/31/631804931.db2.gz RDGCBBFQNJWKEX-OPGSHWCFSA-N 1 0 289.379 3.408 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC2CCC1CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815606725 631806019 /nfs/dbraw/zinc/80/60/19/631806019.db2.gz FJDFSIIDMBZCLB-FLRBZUCHSA-N 1 0 289.379 3.406 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620229 631807957 /nfs/dbraw/zinc/80/79/57/631807957.db2.gz KQKODVUDLDTJBO-QMTHXVAHSA-N 1 0 275.352 3.160 20 5 CGBDRO CC(C)(C)CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819018287 632365541 /nfs/dbraw/zinc/36/55/41/632365541.db2.gz SKINQJGANZOOOH-OAHLLOKOSA-N 1 0 294.395 3.434 20 5 CGBDRO CC[C@H](C)C[C@H](C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819115754 632381152 /nfs/dbraw/zinc/38/11/52/632381152.db2.gz OZQQPLDKVBOOSN-HUBLWGQQSA-N 1 0 280.368 3.043 20 5 CGBDRO CC[C@@H]1CCC[C@H]1C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819341834 632434997 /nfs/dbraw/zinc/43/49/97/632434997.db2.gz LENYJZMYTNDUCI-IVMMDQJWSA-N 1 0 292.379 3.044 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000866486738 633157585 /nfs/dbraw/zinc/15/75/85/633157585.db2.gz PFWRHLUXUDVTPU-IRUJWGPZSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC1(Cl)Cl ZINC000824766519 633285408 /nfs/dbraw/zinc/28/54/08/633285408.db2.gz VIYJXJWXVVHTCK-LLVKDONJSA-N 1 0 289.162 3.268 20 5 CGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCCC1 ZINC000826833244 633436649 /nfs/dbraw/zinc/43/66/49/633436649.db2.gz AHHGLZVCGPVVOD-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000831170446 633922115 /nfs/dbraw/zinc/92/21/15/633922115.db2.gz SLAPIDLAJQUOQR-GJZGRUSLSA-N 1 0 294.395 3.433 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H]1CCOC1 ZINC000872027937 633946938 /nfs/dbraw/zinc/94/69/38/633946938.db2.gz OHTQOWWZWBKTCK-GHMZBOCLSA-N 1 0 296.392 3.004 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030796 633949494 /nfs/dbraw/zinc/94/94/94/633949494.db2.gz CHGADZVQMKXDSP-VXGBXAGGSA-N 1 0 297.374 3.115 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044314 633968243 /nfs/dbraw/zinc/96/82/43/633968243.db2.gz TZQNXSKPECVPPG-WOPDTQHZSA-N 1 0 296.342 3.200 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051531 633974255 /nfs/dbraw/zinc/97/42/55/633974255.db2.gz KXEQDPGKLXPGIS-NSHDSACASA-N 1 0 298.358 3.183 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872053752 633976798 /nfs/dbraw/zinc/97/67/98/633976798.db2.gz MIXOUZQLVVNFQZ-COPLHBTASA-N 1 0 296.342 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)C[C@@H](C)O ZINC000872059248 633981480 /nfs/dbraw/zinc/98/14/80/633981480.db2.gz CBPUAYAGONGHAL-AXFHLTTASA-N 1 0 298.408 3.127 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064938 633987277 /nfs/dbraw/zinc/98/72/77/633987277.db2.gz PMKAHJRQXRZAFD-QWRGUYRKSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCSC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872067655 633989663 /nfs/dbraw/zinc/98/96/63/633989663.db2.gz RFHSBJFSHNTRRG-ZJUUUORDSA-N 1 0 284.356 3.138 20 5 CGBDRO COCC(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074694 633997133 /nfs/dbraw/zinc/99/71/33/633997133.db2.gz ZYGRERSJRFYLMU-SNVBAGLBSA-N 1 0 284.331 3.057 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H](C)O ZINC000872076800 633998686 /nfs/dbraw/zinc/99/86/86/633998686.db2.gz SPRIQNAREWVQRN-BREBYQMCSA-N 1 0 298.408 3.127 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1c(F)cccc1[N+](=O)[O-] ZINC000872107237 634030394 /nfs/dbraw/zinc/03/03/94/634030394.db2.gz XNSVOTWFOAXJJF-GHMZBOCLSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000872129495 634049766 /nfs/dbraw/zinc/04/97/66/634049766.db2.gz DKNWDOJFBPSGLL-TYNCELHUSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000872128275 634050195 /nfs/dbraw/zinc/05/01/95/634050195.db2.gz HOLVKPCKUZLHAN-AVGNSLFASA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872128337 634050213 /nfs/dbraw/zinc/05/02/13/634050213.db2.gz MAVVGVZJLZZJBI-XEZPLFJOSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H](CC1CCOCC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872129824 634050736 /nfs/dbraw/zinc/05/07/36/634050736.db2.gz WPKIOJLYUZOOJH-STQMWFEESA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCCSC1 ZINC000873072103 634242062 /nfs/dbraw/zinc/24/20/62/634242062.db2.gz TUGAKRYSXJLUSV-LBPRGKRZSA-N 1 0 280.393 3.197 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1CCC(F)(F)C1 ZINC000873080372 634242631 /nfs/dbraw/zinc/24/26/31/634242631.db2.gz NMVDEAGDTPNQAG-NSHDSACASA-N 1 0 284.306 3.489 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@@H]1CCCCO1 ZINC000873102210 634246523 /nfs/dbraw/zinc/24/65/23/634246523.db2.gz MMZQMICKWCTTJH-AWEZNQCLSA-N 1 0 292.379 3.260 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@H]1CCSC1 ZINC000873116617 634249638 /nfs/dbraw/zinc/24/96/38/634249638.db2.gz KVSVRHKOFSQSAJ-GFCCVEGCSA-N 1 0 280.393 3.054 20 5 CGBDRO Cc1c(C[NH2+]CC(C)(C)c2ccccn2)cccc1[N+](=O)[O-] ZINC000873129356 634252833 /nfs/dbraw/zinc/25/28/33/634252833.db2.gz NRJAFISZLUSTGS-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO CC1(C)CO[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000873155040 634262700 /nfs/dbraw/zinc/26/27/00/634262700.db2.gz DPQPYFIHQYEYJK-HZRUHFOJSA-N 1 0 290.363 3.013 20 5 CGBDRO CC[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873184006 634273540 /nfs/dbraw/zinc/27/35/40/634273540.db2.gz WZHGRKLWZVEMGQ-RDBSUJKOSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@H]1CCCOC1 ZINC000876696775 634882901 /nfs/dbraw/zinc/88/29/01/634882901.db2.gz XTOOORPBXWYLKT-CQSZACIVSA-N 1 0 292.379 3.070 20 5 CGBDRO COC1(C)CC[NH+](Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000877170286 635005986 /nfs/dbraw/zinc/00/59/86/635005986.db2.gz MDKNBYRVQCKDKT-UHFFFAOYSA-N 1 0 292.379 3.213 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@@H]1C ZINC000877565576 635094551 /nfs/dbraw/zinc/09/45/51/635094551.db2.gz KCZODJFQEQLVAK-LRDDRELGSA-N 1 0 292.379 3.068 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CC1(F)F)c1ccccc1[N+](=O)[O-] ZINC000877827650 635230148 /nfs/dbraw/zinc/23/01/48/635230148.db2.gz HHUUZIKXONMRGK-YWVKMMECSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CC1(C)C ZINC000842162273 635301020 /nfs/dbraw/zinc/30/10/20/635301020.db2.gz GOBUYUBOTNPYRV-ILXRZTDVSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCC2(CCC2)O1)c1cccc([N+](=O)[O-])c1 ZINC000878356049 635472850 /nfs/dbraw/zinc/47/28/50/635472850.db2.gz PJVLXDITSJSWHL-DOMZBBRYSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000878660161 635596141 /nfs/dbraw/zinc/59/61/41/635596141.db2.gz PUZHLUWZAHRMSQ-WFASDCNBSA-N 1 0 290.363 3.205 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCCO1 ZINC000879406784 635779924 /nfs/dbraw/zinc/77/99/24/635779924.db2.gz RONZWXPZUURQST-AWEZNQCLSA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844459827 635908692 /nfs/dbraw/zinc/90/86/92/635908692.db2.gz VBKVFOQKOCAEFU-WQAKAFBOSA-N 1 0 282.290 3.161 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000880293243 635965994 /nfs/dbraw/zinc/96/59/94/635965994.db2.gz GESSQPBZQIMLAW-LBPRGKRZSA-N 1 0 296.342 3.173 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCOC1 ZINC000880470206 636006767 /nfs/dbraw/zinc/00/67/67/636006767.db2.gz OCIUARLZKSIKGH-TZMCWYRMSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1[N+](=O)[O-] ZINC000880514827 636013567 /nfs/dbraw/zinc/01/35/67/636013567.db2.gz WBOIUYLZXDWVBP-WQVCFCJDSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H](COCC1CC1)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000846071807 636141519 /nfs/dbraw/zinc/14/15/19/636141519.db2.gz AKDCZFQFPXJPEV-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO CS[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000848530268 636591408 /nfs/dbraw/zinc/59/14/08/636591408.db2.gz XTYJXSKGRXZGTO-JTNHKYCSSA-N 1 0 292.404 3.456 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H](O)c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000850528295 637106500 /nfs/dbraw/zinc/10/65/00/637106500.db2.gz GSEYNIRSGBWRTF-JECHBYEQSA-N 1 0 298.342 3.424 20 5 CGBDRO C[N@H+](CCCCc1ccccc1)Cc1cccnc1[N+](=O)[O-] ZINC000885959239 637332768 /nfs/dbraw/zinc/33/27/68/637332768.db2.gz VZMPXMSYGGMVBZ-UHFFFAOYSA-N 1 0 299.374 3.445 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2[N+](=O)[O-])cc1 ZINC000886106989 637416654 /nfs/dbraw/zinc/41/66/54/637416654.db2.gz HRUJZLHPNPFAND-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@H]1CC[C@]2(CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)C1 ZINC000886122466 637424492 /nfs/dbraw/zinc/42/44/92/637424492.db2.gz BJOJBKNJAMLORM-WFASDCNBSA-N 1 0 275.352 3.002 20 5 CGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140968 637433491 /nfs/dbraw/zinc/43/34/91/637433491.db2.gz SZCAYVATUDKECL-YPMHNXCESA-N 1 0 263.341 3.048 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000886179418 637449955 /nfs/dbraw/zinc/44/99/55/637449955.db2.gz VMOBLZVHHIZGOX-LSDHHAIUSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@H]1CCCC[C@]1(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886241445 637469196 /nfs/dbraw/zinc/46/91/96/637469196.db2.gz YMYSSJNPTPRREX-FZMZJTMJSA-N 1 0 263.341 3.048 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCF ZINC000887141528 637759799 /nfs/dbraw/zinc/75/97/99/637759799.db2.gz XVYRJBIHWULUHA-LLVKDONJSA-N 1 0 254.305 3.256 20 5 CGBDRO Cc1cc(N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([N+](=O)[O-])s1 ZINC000853411409 637837833 /nfs/dbraw/zinc/83/78/33/637837833.db2.gz LHXPVFWFGXJNST-WDEREUQCSA-N 1 0 283.397 3.249 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC2(Cl)Cl)cs1 ZINC000856806125 638392864 /nfs/dbraw/zinc/39/28/64/638392864.db2.gz ASNKOPAFJQBAPA-MRVPVSSYSA-N 1 0 295.191 3.330 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000932177071 639288108 /nfs/dbraw/zinc/28/81/08/639288108.db2.gz ROFPVHYRWKOEBX-RQJABVFESA-N 1 0 292.379 3.449 20 5 CGBDRO CSCC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000932592313 639363754 /nfs/dbraw/zinc/36/37/54/639363754.db2.gz UIHKEPOMUVAKEV-UHFFFAOYSA-N 1 0 280.393 3.170 20 5 CGBDRO C[C@H]1CSCCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934296627 639573950 /nfs/dbraw/zinc/57/39/50/639573950.db2.gz MJZFVMPAQWLSAO-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000934619849 639641925 /nfs/dbraw/zinc/64/19/25/639641925.db2.gz PXEBIGYHGHWPTN-ZWNOBZJWSA-N 1 0 264.300 3.178 20 5 CGBDRO Cc1cccc(OCC[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000042895719 639921966 /nfs/dbraw/zinc/92/19/66/639921966.db2.gz RQDVQEXJAISOQL-UHFFFAOYSA-N 1 0 292.360 3.133 20 5 CGBDRO CC(C)=CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000191631359 640324173 /nfs/dbraw/zinc/32/41/73/640324173.db2.gz CZDWZQAUNJEBNG-UHFFFAOYSA-N 1 0 254.717 3.304 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCCC1 ZINC000094774158 640802073 /nfs/dbraw/zinc/80/20/73/640802073.db2.gz QRWRQSMGWSBFEB-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO Nc1c2cccnc2c2ncccc2c1NC1=C[NH2+]CCC1 ZINC001159735546 806163480 /nfs/dbraw/zinc/16/34/80/806163480.db2.gz DIMFQZFTPGWBEF-UHFFFAOYSA-N 1 0 291.358 3.002 20 5 CGBDRO Cc1nc(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])cs1 ZINC001254534029 806444657 /nfs/dbraw/zinc/44/46/57/806444657.db2.gz RTWVKAXUICXRGF-JTQLQIEISA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2cccnc21 ZINC001254537847 806446356 /nfs/dbraw/zinc/44/63/56/806446356.db2.gz IGMROJHOLOMBHJ-WFASDCNBSA-N 1 0 297.358 3.198 20 5 CGBDRO Cc1ccsc1C[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254565643 806451498 /nfs/dbraw/zinc/45/14/98/806451498.db2.gz FGMYTZIIUZLJNV-CYBMUJFWSA-N 1 0 288.372 3.222 20 5 CGBDRO C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254570847 806452847 /nfs/dbraw/zinc/45/28/47/806452847.db2.gz PXYWTEHGSVICMI-DJSGYFEHSA-N 1 0 274.364 3.230 20 5 CGBDRO Cc1ccnc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254580459 806455393 /nfs/dbraw/zinc/45/53/93/806455393.db2.gz CUVSVMFKDPACCA-SWLSCSKDSA-N 1 0 297.358 3.116 20 5 CGBDRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590041 806456720 /nfs/dbraw/zinc/45/67/20/806456720.db2.gz SYNVLYBTCBZLGE-JTNHKYCSSA-N 1 0 274.364 3.086 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([N@H+](Cc1ccco1)C1CC1)C2 ZINC001254608066 806459943 /nfs/dbraw/zinc/45/99/43/806459943.db2.gz OVEARGOLHQDAEI-INIZCTEOSA-N 1 0 298.342 3.320 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CCCC3(CCC3)C1)C2 ZINC001254610597 806461363 /nfs/dbraw/zinc/46/13/63/806461363.db2.gz LLPDRGJFBSQYRU-MRXNPFEDSA-N 1 0 286.375 3.328 20 5 CGBDRO CCC[N@H+](CC(C)C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254610020 806461485 /nfs/dbraw/zinc/46/14/85/806461485.db2.gz HQYKNFQHEXMXGB-INIZCTEOSA-N 1 0 276.380 3.430 20 5 CGBDRO Cc1cc(Cl)c(N[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162406376 806580118 /nfs/dbraw/zinc/58/01/18/806580118.db2.gz HAWSIQILQDAHFA-VHSXEESVSA-N 1 0 283.759 3.238 20 5 CGBDRO CN(C)c1ccc(NC(=[NH2+])C(C)(C)C)c([N+](=O)[O-])c1 ZINC001162664270 806643993 /nfs/dbraw/zinc/64/39/93/806643993.db2.gz AXRYNGZELAYGOH-UHFFFAOYSA-N 1 0 264.329 3.096 20 5 CGBDRO Cc1c(C[NH2+]C[C@]2(C)CC2(F)F)cccc1[N+](=O)[O-] ZINC000689669695 799767692 /nfs/dbraw/zinc/76/76/92/799767692.db2.gz MCPNAAZKTVEUSC-LBPRGKRZSA-N 1 0 270.279 3.038 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCCC3(CC3)C2)cs1 ZINC000695729664 799833590 /nfs/dbraw/zinc/83/35/90/799833590.db2.gz MUISYMNWATWACW-LLVKDONJSA-N 1 0 266.366 3.469 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C=CCC2)c(Cl)c1 ZINC000698283316 799854649 /nfs/dbraw/zinc/85/46/49/799854649.db2.gz HRQSIHMQBIHGNO-SNVBAGLBSA-N 1 0 252.701 3.056 20 5 CGBDRO CC[C@H]([NH2+]CC1CC(OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000703164733 799919026 /nfs/dbraw/zinc/91/90/26/799919026.db2.gz RXBWUPNXQBZNOF-KWCHVYNWSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC001163618710 806793298 /nfs/dbraw/zinc/79/32/98/806793298.db2.gz VJDWYXWTSDZGPU-UKRRQHHQSA-N 1 0 289.379 3.332 20 5 CGBDRO Cc1c(C[NH2+]C[C@]23C[C@H]2CCC3)cccc1[N+](=O)[O-] ZINC000710548356 800035653 /nfs/dbraw/zinc/03/56/53/800035653.db2.gz ARVJPPOWPWZCLL-HIFRSBDPSA-N 1 0 260.337 3.183 20 5 CGBDRO COC(C)(C)CC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000711894707 800079962 /nfs/dbraw/zinc/07/99/62/800079962.db2.gz QELKFKFNPQUKDD-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716672317 800178566 /nfs/dbraw/zinc/17/85/66/800178566.db2.gz RMYDAWRVBOLANY-OYNZBZHQSA-N 1 0 274.364 3.019 20 5 CGBDRO C[C@@H]1[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000719597933 800244430 /nfs/dbraw/zinc/24/44/30/800244430.db2.gz GBLVTHHFBLTRDO-LDYMZIIASA-N 1 0 285.294 3.037 20 5 CGBDRO COc1ccc(C[NH2+]CCC2CC=CC2)cc1[N+](=O)[O-] ZINC000724202054 800357308 /nfs/dbraw/zinc/35/73/08/800357308.db2.gz KLPORQAUCHSHFU-UHFFFAOYSA-N 1 0 276.336 3.049 20 5 CGBDRO O[C@]1(CNc2cccc3cc4ccccc4cc32)CC[NH2+]C1 ZINC001245965578 804090226 /nfs/dbraw/zinc/09/02/26/804090226.db2.gz KTDJLELGHJYHCI-LJQANCHMSA-N 1 0 292.382 3.129 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCC[C@@H]1CCC[N@@H+](C)C1 ZINC001165279843 806985870 /nfs/dbraw/zinc/98/58/70/806985870.db2.gz ZSJYTIOQICTXRR-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO [NH3+]Cc1cccn1-c1ncnc2cc3ccccc3cc21 ZINC001167586079 807209650 /nfs/dbraw/zinc/20/96/50/807209650.db2.gz JBFWAJNKGHOQJK-UHFFFAOYSA-N 1 0 274.327 3.032 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C[C@H]1C ZINC001168202444 807348130 /nfs/dbraw/zinc/34/81/30/807348130.db2.gz USCWYSWAZXYDDZ-WDEREUQCSA-N 1 0 266.316 3.212 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H]2[C@H](C1)C2(F)F ZINC001168309383 807378107 /nfs/dbraw/zinc/37/81/07/807378107.db2.gz LSIYEZVWSOUMAN-JLLWLGSASA-N 1 0 282.290 3.243 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(F)c(Cl)c2)C1 ZINC001168966189 807542935 /nfs/dbraw/zinc/54/29/35/807542935.db2.gz GYQJIMSVWCLMHZ-MNOVXSKESA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3cccc(Cl)c3)CC2)C1 ZINC001168976483 807544542 /nfs/dbraw/zinc/54/45/42/807544542.db2.gz DBWBMKOAUUHUCG-RISCZKNCSA-N 1 0 294.782 3.364 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2(c3ccccc3Cl)CC2)C1 ZINC001168975816 807545322 /nfs/dbraw/zinc/54/53/22/807545322.db2.gz XHYZHTDGIOBNKS-RYUDHWBXSA-N 1 0 294.782 3.364 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001168978056 807545770 /nfs/dbraw/zinc/54/57/70/807545770.db2.gz NWXJVEJBZQZPRZ-KBMXLJTQSA-N 1 0 276.380 3.481 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(C)c1 ZINC001168978336 807545861 /nfs/dbraw/zinc/54/58/61/807545861.db2.gz RFFVDCKDMMKSLG-VNQPRFMTSA-N 1 0 276.380 3.481 20 5 CGBDRO Cc1ccc(C2([NH2+][C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168979482 807546055 /nfs/dbraw/zinc/54/60/55/807546055.db2.gz YMZNIAKQRQWSSD-HIFRSBDPSA-N 1 0 274.364 3.019 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168979047 807546182 /nfs/dbraw/zinc/54/61/82/807546182.db2.gz WNVVBIPLMXNBAZ-CWRNSKLLSA-N 1 0 276.380 3.419 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983341 807547093 /nfs/dbraw/zinc/54/70/93/807547093.db2.gz JLYJDVBUYQBLRZ-CQDKDKBSSA-N 1 0 280.343 3.312 20 5 CGBDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169007452 807551659 /nfs/dbraw/zinc/55/16/59/807551659.db2.gz NWCILOGBMVJJHI-VNHYZAJKSA-N 1 0 274.364 3.051 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@H]2CC[C@H](C(F)(F)F)CC2)C1 ZINC001169007646 807552007 /nfs/dbraw/zinc/55/20/07/807552007.db2.gz OWLCFCMBTQEKOW-KKOKHZNYSA-N 1 0 294.317 3.143 20 5 CGBDRO CCC[N@H+](Cc1ccccc1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169021867 807554816 /nfs/dbraw/zinc/55/48/16/807554816.db2.gz APBSEVUOLXUZJL-JKSUJKDBSA-N 1 0 276.380 3.344 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2cccs2)C1 ZINC001169030315 807555739 /nfs/dbraw/zinc/55/57/39/807555739.db2.gz YQSAIRRDAMUIFE-AGIUHOORSA-N 1 0 280.393 3.330 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001169040951 807556865 /nfs/dbraw/zinc/55/68/65/807556865.db2.gz AFMGWADEWFDUBZ-HZPDHXFCSA-N 1 0 276.380 3.181 20 5 CGBDRO Cc1cccc(NC(C)(C)CC[NH+](C)C)c1[N+](=O)[O-] ZINC001169717427 807696766 /nfs/dbraw/zinc/69/67/66/807696766.db2.gz GCFRJOTUXVKEPB-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]CC2CCCC2)c([N+](=O)[O-])c1 ZINC001170298761 807819554 /nfs/dbraw/zinc/81/95/54/807819554.db2.gz NTMABRPDMJXECB-LBPRGKRZSA-N 1 0 292.379 3.314 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]CC2(C)CCC2)c([N+](=O)[O-])c1 ZINC001170307187 807825204 /nfs/dbraw/zinc/82/52/04/807825204.db2.gz FBUFLMLKLHKFEK-LBPRGKRZSA-N 1 0 292.379 3.314 20 5 CGBDRO CCC[N@H+](CC)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170330328 807826577 /nfs/dbraw/zinc/82/65/77/807826577.db2.gz ZDWOWVAXPGXXGP-GFCCVEGCSA-N 1 0 280.368 3.266 20 5 CGBDRO CC1(C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CC1 ZINC001172896957 808474962 /nfs/dbraw/zinc/47/49/62/808474962.db2.gz UYYKLKXJILHOFH-AWEZNQCLSA-N 1 0 274.364 3.232 20 5 CGBDRO CC(C)(C)C(=[NH2+])N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896694 808474965 /nfs/dbraw/zinc/47/49/65/808474965.db2.gz RFEKVUPQCVEGLZ-CYBMUJFWSA-N 1 0 289.379 3.455 20 5 CGBDRO CC1([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)CCC1 ZINC001172897865 808475090 /nfs/dbraw/zinc/47/50/90/808475090.db2.gz CPUQVVDPCPTTQO-AWEZNQCLSA-N 1 0 274.364 3.374 20 5 CGBDRO CCSCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899024 808475768 /nfs/dbraw/zinc/47/57/68/808475768.db2.gz KPHLCRUDYDPPAL-AWEZNQCLSA-N 1 0 294.420 3.185 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]CC1(F)CCC1)CC2 ZINC001172907025 808475954 /nfs/dbraw/zinc/47/59/54/808475954.db2.gz ZXLKTWPJMROZLL-AWEZNQCLSA-N 1 0 292.354 3.324 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@H]1C1CC1)CC2 ZINC001172907718 808476056 /nfs/dbraw/zinc/47/60/56/808476056.db2.gz HTPMPOVYOUPAQA-HYVNUMGLSA-N 1 0 286.375 3.230 20 5 CGBDRO CCSCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172899025 808476554 /nfs/dbraw/zinc/47/65/54/808476554.db2.gz KPHLCRUDYDPPAL-CQSZACIVSA-N 1 0 294.420 3.185 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175881 808533471 /nfs/dbraw/zinc/53/34/71/808533471.db2.gz UMNPHJVURWAKHO-MNOVXSKESA-N 1 0 298.358 3.309 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1ccncc1 ZINC001173209541 808537723 /nfs/dbraw/zinc/53/77/23/808537723.db2.gz CUVPBVCOWAHGNM-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](F)C1 ZINC001173211632 808537829 /nfs/dbraw/zinc/53/78/29/808537829.db2.gz UNHLSKNUZBKDNW-UHTWSYAYSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H](C)c1nccs1 ZINC001173215823 808538594 /nfs/dbraw/zinc/53/85/94/808538594.db2.gz FJKMXQSDYGSFIU-GHMZBOCLSA-N 1 0 291.376 3.333 20 5 CGBDRO Cc1cccnc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213138 808538677 /nfs/dbraw/zinc/53/86/77/808538677.db2.gz DXOLHYOQPMIRSN-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCc1ccsc1 ZINC001173212613 808538703 /nfs/dbraw/zinc/53/87/03/808538703.db2.gz BPAFGFDVTQOPES-LBPRGKRZSA-N 1 0 290.388 3.420 20 5 CGBDRO Cc1nc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)cs1 ZINC001173213902 808538846 /nfs/dbraw/zinc/53/88/46/808538846.db2.gz IQTYJUGWSTUPHR-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1ccccc1F ZINC001173216533 808538938 /nfs/dbraw/zinc/53/89/38/808538938.db2.gz LRWZQLNDWWJYOV-GFCCVEGCSA-N 1 0 288.322 3.455 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)C[C@H]1CF ZINC001173220973 808539887 /nfs/dbraw/zinc/53/98/87/808539887.db2.gz DULKWWSSDAWTHR-HUBLWGQQSA-N 1 0 280.343 3.206 20 5 CGBDRO CSC1CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173228438 808541183 /nfs/dbraw/zinc/54/11/83/808541183.db2.gz WTLAFBAZONGXDH-LBPRGKRZSA-N 1 0 294.420 3.353 20 5 CGBDRO CC[N@H+](C(C)C)[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224299 808541412 /nfs/dbraw/zinc/54/14/12/808541412.db2.gz DKPVNOCQTXDSGO-LBPRGKRZSA-N 1 0 250.342 3.256 20 5 CGBDRO CCC1([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173228251 808541822 /nfs/dbraw/zinc/54/18/22/808541822.db2.gz IHFCWNBMPQVQFE-CYBMUJFWSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1CCSCC1 ZINC001173228287 808541937 /nfs/dbraw/zinc/54/19/37/808541937.db2.gz IUBSFDGZNBMQOB-GFCCVEGCSA-N 1 0 294.420 3.259 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C1CC1)C1CC1 ZINC001173232680 808542366 /nfs/dbraw/zinc/54/23/66/808542366.db2.gz FPCHYOONUAZOHB-LLVKDONJSA-N 1 0 274.364 3.304 20 5 CGBDRO C[NH+](C)Cc1ccccc1Nc1ccc([N+](=O)[O-])cc1 ZINC001174479119 809033834 /nfs/dbraw/zinc/03/38/34/809033834.db2.gz BQBBDKANIGCEDJ-UHFFFAOYSA-N 1 0 271.320 3.400 20 5 CGBDRO C[C@H]1C[C@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001177267052 809789851 /nfs/dbraw/zinc/78/98/51/809789851.db2.gz HKVSFRJNGLOPPA-IUCAKERBSA-N 1 0 299.168 3.103 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccnc1[N+](=O)[O-])c1ccc(F)cc1 ZINC001192442788 810798536 /nfs/dbraw/zinc/79/85/36/810798536.db2.gz DFMBECIVTMWPNE-CQSZACIVSA-N 1 0 289.310 3.370 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](OCc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001217764230 815955944 /nfs/dbraw/zinc/95/59/44/815955944.db2.gz OKLASAXPVGGOQG-BETUJISGSA-N 1 0 286.331 3.015 20 5 CGBDRO C[C@@H]1[NH2+]C[C@H]1OCc1c2ccccc2nc2ccccc21 ZINC001217911275 815999018 /nfs/dbraw/zinc/99/90/18/815999018.db2.gz XMRUXQSRZZAWDC-KPZWWZAWSA-N 1 0 278.355 3.265 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[NH2+]C2)c(Cl)c1Cl ZINC001217963235 816019954 /nfs/dbraw/zinc/01/99/54/816019954.db2.gz PCMVQQVDYLJVIU-SSDOTTSWSA-N 1 0 291.134 3.032 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001217968168 816022135 /nfs/dbraw/zinc/02/21/35/816022135.db2.gz PBZCBLZFZKHBFB-PXAZEXFGSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1cc(O[C@@H]2CCCC[NH2+]C2)c(C)c(C)c1[N+](=O)[O-] ZINC001217972874 816025371 /nfs/dbraw/zinc/02/53/71/816025371.db2.gz AAOAIIKVNDBGKF-CYBMUJFWSA-N 1 0 278.352 3.041 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@@H]1Oc1cc(Cl)cc([N+](=O)[O-])c1 ZINC001217987750 816035573 /nfs/dbraw/zinc/03/55/73/816035573.db2.gz MZTSXFGYUBRCBM-ZANVPECISA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218035207 816067672 /nfs/dbraw/zinc/06/76/72/816067672.db2.gz WXLDKXLLVKCWTR-SJKOYZFVSA-N 1 0 278.355 3.375 20 5 CGBDRO c1ccc2c(c1)ccc1c2ccnc1O[C@@H]1CC[NH2+]C1 ZINC001218038823 816069165 /nfs/dbraw/zinc/06/91/65/816069165.db2.gz ZAABNPDWGQOEIF-CYBMUJFWSA-N 1 0 264.328 3.129 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+][C@H](C)C2)c(C)c(C)c1[N+](=O)[O-] ZINC001218054080 816076949 /nfs/dbraw/zinc/07/69/49/816076949.db2.gz WQHOPBUDJUNOIH-ZWNOBZJWSA-N 1 0 278.352 3.039 20 5 CGBDRO C[C@H]1C[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC001218059523 816079558 /nfs/dbraw/zinc/07/95/58/816079558.db2.gz KAPLDWLOSUBVEX-WCQYABFASA-N 1 0 286.331 3.267 20 5 CGBDRO Cc1cc(O[C@H]2CC[NH2+][C@H](C)C2)c([N+](=O)[O-])cc1Cl ZINC001218062764 816081764 /nfs/dbraw/zinc/08/17/64/816081764.db2.gz WFNVRWBZKQWZIT-ZJUUUORDSA-N 1 0 284.743 3.076 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218064951 816082505 /nfs/dbraw/zinc/08/25/05/816082505.db2.gz CCCUHYIXKMNQHA-WBVHZDCISA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@H]2CCC[C@]23CC[NH2+]C3)ccc1Cl ZINC001218097913 816097672 /nfs/dbraw/zinc/09/76/72/816097672.db2.gz USHACTVQMMOCFK-UONOGXRCSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC1CC2(C1)CC[NH2+]CC2 ZINC001218106156 816101233 /nfs/dbraw/zinc/10/12/33/816101233.db2.gz KUMTUBWMIPIWTE-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CC[C@]23CC[NH2+]C3)ccc2ccccc21 ZINC001218116040 816103631 /nfs/dbraw/zinc/10/36/31/816103631.db2.gz IWDXFRXDOQWGTP-NVXWUHKLSA-N 1 0 298.342 3.269 20 5 CGBDRO Cc1cc(O[C@@H]2CC[C@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218124313 816108676 /nfs/dbraw/zinc/10/86/76/816108676.db2.gz RALRAHPUANDQQV-GDBMZVCRSA-N 1 0 290.363 3.041 20 5 CGBDRO C[C@@H](Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-])C1C[NH2+]C1 ZINC001218193077 816122038 /nfs/dbraw/zinc/12/20/38/816122038.db2.gz GXYIQJJIPOBJPO-GFCCVEGCSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218421068 816207175 /nfs/dbraw/zinc/20/71/75/816207175.db2.gz VPNSIIKZTYBYAF-FZMZJTMJSA-N 1 0 292.379 3.269 20 5 CGBDRO CC1(C)C[C@@H](Oc2cc([N+](=O)[O-])ccc2Cl)CC[NH2+]1 ZINC001218476744 816233570 /nfs/dbraw/zinc/23/35/70/816233570.db2.gz SQUSGZCSPWWVFJ-JTQLQIEISA-N 1 0 284.743 3.158 20 5 CGBDRO CCCOc1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001223209060 816588431 /nfs/dbraw/zinc/58/84/31/816588431.db2.gz GEFBYZLCAWVUGW-AWEZNQCLSA-N 1 0 266.405 3.087 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1COC1CCC([NH+](C)C)CC1 ZINC001223535232 816646710 /nfs/dbraw/zinc/64/67/10/816646710.db2.gz HVFGOQCMYCBAPC-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1cccc(CO[C@H]2CC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001223661115 816664244 /nfs/dbraw/zinc/66/42/44/816664244.db2.gz MCKASSMIFDRKKX-SHTZXODSSA-N 1 0 292.379 3.293 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](O[C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC001224027442 816723194 /nfs/dbraw/zinc/72/31/94/816723194.db2.gz VIWAJNYKVUXYDC-DOMZBBRYSA-N 1 0 278.352 3.155 20 5 CGBDRO COc1ccc([C@@H](OCC[N+](C)(C)C)C(C)C)cc1 ZINC001224772440 816877639 /nfs/dbraw/zinc/87/76/39/816877639.db2.gz ABDXKZCLXOIROF-INIZCTEOSA-N 1 0 266.405 3.115 20 5 CGBDRO C[C@H](OCC[N+](C)(C)C)c1c(Cl)cncc1Cl ZINC001224773069 816877840 /nfs/dbraw/zinc/87/78/40/816877840.db2.gz DEHRPIAEWQHQON-VIFPVBQESA-N 1 0 278.203 3.172 20 5 CGBDRO CCC[C@H](OCC[N+](C)(C)C)c1ccc(OC)cc1 ZINC001224776271 816879152 /nfs/dbraw/zinc/87/91/52/816879152.db2.gz UFEHOQAQBOYPDS-INIZCTEOSA-N 1 0 266.405 3.259 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(OC(F)(F)F)c1 ZINC001225321330 817008633 /nfs/dbraw/zinc/00/86/33/817008633.db2.gz JIMRYZIBNXULCB-SNVBAGLBSA-N 1 0 278.294 3.059 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)cc2cccnc21 ZINC001225489119 817072177 /nfs/dbraw/zinc/07/21/77/817072177.db2.gz SLQRBBZAZONZPX-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cccc(O)c21 ZINC001225828147 817190806 /nfs/dbraw/zinc/19/08/06/817190806.db2.gz WAHRKGBAEDUINH-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1Br ZINC001226026569 817253320 /nfs/dbraw/zinc/25/33/20/817253320.db2.gz NHMKJMSITITVJX-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226445473 817358382 /nfs/dbraw/zinc/35/83/82/817358382.db2.gz DKTCKSLDJCZHBS-ZDUSSCGKSA-N 1 0 292.379 3.365 20 5 CGBDRO C[NH+](C)C1CCC(Oc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC001226762347 817457032 /nfs/dbraw/zinc/45/70/32/817457032.db2.gz RBESNICQFTUDCQ-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2nc3ccccc3c3ccccc32)C1 ZINC001226993858 817528490 /nfs/dbraw/zinc/52/84/90/817528490.db2.gz ZKXYCJHSWBCKCJ-ZDUSSCGKSA-N 1 0 278.355 3.471 20 5 CGBDRO Cc1cccc(O[C@H](C)C[N+](C)(C)C)c1Br ZINC001227127976 817566587 /nfs/dbraw/zinc/56/65/87/817566587.db2.gz BEQBTSPYSFNZLG-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO CCCCOc1ccc(O[C@@H](C)C[N+](C)(C)C)cc1 ZINC001227579670 817674904 /nfs/dbraw/zinc/67/49/04/817674904.db2.gz RDNKHXNSXPQDEQ-AWEZNQCLSA-N 1 0 266.405 3.339 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2cccc3ccc4cccnc4c32)C1 ZINC001227765492 817717010 /nfs/dbraw/zinc/71/70/10/817717010.db2.gz WULLRWIADTZPNI-HNNXBMFYSA-N 1 0 278.355 3.471 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(F)cc(Cl)cc1F ZINC001227846569 817733112 /nfs/dbraw/zinc/73/31/12/817733112.db2.gz FOGLYYYTEXAPBU-QMMMGPOBSA-N 1 0 264.723 3.092 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccccn2)cc1 ZINC001227909899 817751835 /nfs/dbraw/zinc/75/18/35/817751835.db2.gz KPAWYJBTFUFNHC-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO Cc1cc(C)c(O[C@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001228228857 817844601 /nfs/dbraw/zinc/84/46/01/817844601.db2.gz CHANZNRYOINJRM-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO C[C@@H]1CC[N@@H+]1Cc1ccc2ccc3cccnc3c2n1 ZINC001232217888 818283188 /nfs/dbraw/zinc/28/31/88/818283188.db2.gz BFJONXGEIUSOAI-GFCCVEGCSA-N 1 0 263.344 3.377 20 5 CGBDRO CC[N@H+](CCOC)Cc1ccc2ccc3cccnc3c2n1 ZINC001232219444 818283394 /nfs/dbraw/zinc/28/33/94/818283394.db2.gz REVAKGHBIMQCRH-UHFFFAOYSA-N 1 0 295.386 3.251 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccnc(-c2ccccc2)c1 ZINC001233625507 818661955 /nfs/dbraw/zinc/66/19/55/818661955.db2.gz XNDXLDTYXGYOAW-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO CCc1ccc(Cl)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001233761862 818699393 /nfs/dbraw/zinc/69/93/93/818699393.db2.gz QFZRYSZPISCKEP-LLVKDONJSA-N 1 0 256.797 3.376 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ncccc1-c1ccccc1 ZINC001233980178 818746309 /nfs/dbraw/zinc/74/63/09/818746309.db2.gz HRPCQHGCJYCXOI-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO COc1cc2ccccc2cc1O[C@H](C)C[N+](C)(C)C ZINC001234897537 818948156 /nfs/dbraw/zinc/94/81/56/818948156.db2.gz TXFQGQMIOSHSIQ-CYBMUJFWSA-N 1 0 274.384 3.322 20 5 CGBDRO [NH3+]Cc1cncc(-c2cnc3c(ccc4cccnc43)c2)c1 ZINC001239803868 820617750 /nfs/dbraw/zinc/61/77/50/820617750.db2.gz JQKQWRHQYVFWBQ-UHFFFAOYSA-N 1 0 286.338 3.304 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@H]([NH+](C)C)C23CCC3)c1 ZINC001458492890 937465719 /nfs/dbraw/zinc/46/57/19/937465719.db2.gz ZLHBBTMYTXJEMV-CABCVRRESA-N 1 0 289.379 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@@H+]2CCC(C)(C)C2)c1 ZINC001458698510 937472658 /nfs/dbraw/zinc/47/26/58/937472658.db2.gz OWZRZTZTSRUWDD-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O[C@@H]2CCCCO2)cc1 ZINC001229042597 932079552 /nfs/dbraw/zinc/07/95/52/932079552.db2.gz WXDYTASDRNVYEX-RHSMWYFYSA-N 1 0 294.415 3.066 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2)C1 ZINC001229469310 932155702 /nfs/dbraw/zinc/15/57/02/932155702.db2.gz GWXVYKAETNMCMM-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1OC1CC[NH+](C(C)C)CC1 ZINC001229882541 932497690 /nfs/dbraw/zinc/49/76/90/932497690.db2.gz OMGTUDVTIXMRRA-UHFFFAOYSA-N 1 0 292.379 3.463 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc2cccc(F)c2c1 ZINC001230211068 932541022 /nfs/dbraw/zinc/54/10/22/932541022.db2.gz GIVPPRNFMTUMIV-LBPRGKRZSA-N 1 0 262.348 3.452 20 5 CGBDRO CC[N@@H+]1CC[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])C1 ZINC001230622076 932600098 /nfs/dbraw/zinc/60/00/98/932600098.db2.gz GPDDNSOVAGXXBD-ZDUSSCGKSA-N 1 0 286.331 3.221 20 5 CGBDRO CC(C)C(CN(CC[NH3+])c1ccc([N+](=O)[O-])cc1)C(C)C ZINC001462190135 937623680 /nfs/dbraw/zinc/62/36/80/937623680.db2.gz KQDXMERIBXAKTQ-UHFFFAOYSA-N 1 0 293.411 3.288 20 5 CGBDRO C[C@H]([NH2+]Cc1cnc2ccccn12)c1cccc([N+](=O)[O-])c1 ZINC001308209166 933072664 /nfs/dbraw/zinc/07/26/64/933072664.db2.gz WNJUXNVPFJGQEW-LBPRGKRZSA-N 1 0 296.330 3.093 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1CN1C[C@H](C)OC(C)(C)C1 ZINC001308592476 933137899 /nfs/dbraw/zinc/13/78/99/933137899.db2.gz KTZZZYSXZWESFW-LBPRGKRZSA-N 1 0 292.379 3.211 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC001473333835 937801677 /nfs/dbraw/zinc/80/16/77/937801677.db2.gz MUAFWKXNIKHACE-GJZGRUSLSA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001473583350 937812790 /nfs/dbraw/zinc/81/27/90/937812790.db2.gz AMKMUQCRSCOVQB-KBPBESRZSA-N 1 0 290.363 3.238 20 5 CGBDRO C[C@H]([NH2+]CCC1CCOCC1)c1c(F)cccc1[N+](=O)[O-] ZINC001330066699 935264854 /nfs/dbraw/zinc/26/48/54/935264854.db2.gz GLYSNEUOOIEFNS-NSHDSACASA-N 1 0 296.342 3.201 20 5 CGBDRO CSC(C)(C)CCN1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001331706101 935404682 /nfs/dbraw/zinc/40/46/82/935404682.db2.gz GLZZZIYSBZJVJS-UHFFFAOYSA-N 1 0 280.393 3.442 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](C2CCC2)CC1 ZINC001473743396 937820169 /nfs/dbraw/zinc/82/01/69/937820169.db2.gz SBWBHHJIEMEJIM-AWEZNQCLSA-N 1 0 289.379 3.392 20 5 CGBDRO C[C@@H](C[NH2+]C[C@]1(C)CCCCO1)c1ccccc1[N+](=O)[O-] ZINC001474727680 937877346 /nfs/dbraw/zinc/87/73/46/937877346.db2.gz KBDCNOFPBHJVOL-BBRMVZONSA-N 1 0 292.379 3.247 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H]1C ZINC001559769771 938235378 /nfs/dbraw/zinc/23/53/78/938235378.db2.gz SGSDWOQDCREPTE-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]([NH3+])[C@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001576102666 962438487 /nfs/dbraw/zinc/43/84/87/962438487.db2.gz GTQGBOFMXIKBJV-WDSKDSINSA-N 1 0 278.139 3.049 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337482489 214111147 /nfs/dbraw/zinc/11/11/47/214111147.db2.gz RFCVEQJLBZEIQJ-CQSZACIVSA-N 1 0 260.337 3.060 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CCC[C@H]1F ZINC000590196083 346835510 /nfs/dbraw/zinc/83/55/10/346835510.db2.gz YLENERSCSWZICV-PBYRWIMMSA-N 1 0 264.300 3.088 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C1CCCC1 ZINC000083407318 178414371 /nfs/dbraw/zinc/41/43/71/178414371.db2.gz YHCJXFRZGLLTMB-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000337999288 214353180 /nfs/dbraw/zinc/35/31/80/214353180.db2.gz OPWOISBAJRWZSF-ZIAGYGMSSA-N 1 0 260.337 3.263 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000126154712 187220711 /nfs/dbraw/zinc/22/07/11/187220711.db2.gz VFPGPZCFFADWAU-STQMWFEESA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCN[C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000160128779 529690380 /nfs/dbraw/zinc/69/03/80/529690380.db2.gz OXDJPPPYSQBTPX-BBRMVZONSA-N 1 0 293.411 3.366 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000727833696 571772309 /nfs/dbraw/zinc/77/23/09/571772309.db2.gz YOYLLIMXGDQWQO-GFCCVEGCSA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000592399640 346984574 /nfs/dbraw/zinc/98/45/74/346984574.db2.gz PJDFHAYZUQJHQI-KFNAQCHYSA-N 1 0 290.363 3.129 20 5 CGBDRO CCC[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000056491181 345164864 /nfs/dbraw/zinc/16/48/64/345164864.db2.gz FZFZJABJVAGHTJ-UHFFFAOYSA-N 1 0 254.355 3.278 20 5 CGBDRO CC(C)(C)CC[NH+]1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000063264474 345244617 /nfs/dbraw/zinc/24/46/17/345244617.db2.gz WJWKJLSAUOZABD-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO CC1CC[NH+](CCCNc2ccsc2[N+](=O)[O-])CC1 ZINC000063256523 345244979 /nfs/dbraw/zinc/24/49/79/345244979.db2.gz INIGFUMURBHKPK-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H](C)C(C)C ZINC000065299115 345271174 /nfs/dbraw/zinc/27/11/74/345271174.db2.gz SUHFAVPNTNRDMC-CYBMUJFWSA-N 1 0 280.368 3.340 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(C1)CCOCC2 ZINC000076177834 345537250 /nfs/dbraw/zinc/53/72/50/345537250.db2.gz WJRSFEXBIKGUET-ZDUSSCGKSA-N 1 0 290.363 3.158 20 5 CGBDRO CC[NH+](CC)CCSc1ncc([N+](=O)[O-])cc1Cl ZINC000081006124 345694860 /nfs/dbraw/zinc/69/48/60/345694860.db2.gz GDHPARQUTKGNMU-UHFFFAOYSA-N 1 0 289.788 3.077 20 5 CGBDRO Cc1ncc([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000090418219 345787032 /nfs/dbraw/zinc/78/70/32/345787032.db2.gz PBGRDOJQRHLDFG-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO COC1CCC([N@H+](C)Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000093414937 345877418 /nfs/dbraw/zinc/87/74/18/345877418.db2.gz YOXVIVROPOGOAR-UHFFFAOYSA-N 1 0 292.379 3.293 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC=CC1 ZINC000122135055 346003987 /nfs/dbraw/zinc/00/39/87/346003987.db2.gz VECHPDHMROLLTR-GFCCVEGCSA-N 1 0 260.337 3.224 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000593595980 347093445 /nfs/dbraw/zinc/09/34/45/347093445.db2.gz MNYPCXBQNCUUMB-AWEZNQCLSA-N 1 0 294.395 3.178 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000593608040 347094938 /nfs/dbraw/zinc/09/49/38/347094938.db2.gz IWZAKVGKCCBZFU-AWEZNQCLSA-N 1 0 294.395 3.178 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCS[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000310775618 346472231 /nfs/dbraw/zinc/47/22/31/346472231.db2.gz DQGNBWGAFUTBBE-CWSCBRNRSA-N 1 0 266.366 3.139 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000585726005 346727799 /nfs/dbraw/zinc/72/77/99/346727799.db2.gz HWMXLLIIUMYDAM-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO C[NH+](C)CCOc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC000584601978 346689594 /nfs/dbraw/zinc/68/95/94/346689594.db2.gz WAGSZZXIMVOLBB-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO C[C@H](COCC1CC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000593682802 347103864 /nfs/dbraw/zinc/10/38/64/347103864.db2.gz YIIGYPFDVVTKPI-DIECRNLCSA-N 1 0 290.363 3.013 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594045464 347143894 /nfs/dbraw/zinc/14/38/94/347143894.db2.gz XCGWENPJRSJFJQ-CABCVRRESA-N 1 0 278.352 3.032 20 5 CGBDRO Cc1ccncc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000594712055 347212808 /nfs/dbraw/zinc/21/28/08/347212808.db2.gz PHKKKCCUVGHHAA-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])OC ZINC000594506096 347181621 /nfs/dbraw/zinc/18/16/21/347181621.db2.gz MFMPYSRIALEYLS-HZUKXOBISA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1C(C)(C)C1(F)F ZINC000594991873 347250787 /nfs/dbraw/zinc/25/07/87/347250787.db2.gz LTGBZNQKKBNNMM-LBPRGKRZSA-N 1 0 284.306 3.284 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCC[C@@H](C)O1)c1ccc([N+](=O)[O-])cc1 ZINC000594724123 347213229 /nfs/dbraw/zinc/21/32/29/347213229.db2.gz DGQTWZJVEJYWIJ-XUJVJEKNSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]CCCc1ccco1 ZINC000594998297 347252741 /nfs/dbraw/zinc/25/27/41/347252741.db2.gz VSPRPOGRSXKDFY-CLTKARDFSA-N 1 0 286.331 3.423 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@]12C[C@@H]1CCC2 ZINC000594952646 347239324 /nfs/dbraw/zinc/23/93/24/347239324.db2.gz QMGNELSWNGRIMJ-VLLIJTNSSA-N 1 0 258.321 3.140 20 5 CGBDRO CCC[C@H]1[C@H](C)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386758 347297721 /nfs/dbraw/zinc/29/77/21/347297721.db2.gz RJMROGYQPCEVNU-PWSUYJOCSA-N 1 0 281.356 3.292 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCSC ZINC000595009341 347255734 /nfs/dbraw/zinc/25/57/34/347255734.db2.gz RDLPXAKDCOJLEP-SNVBAGLBSA-N 1 0 284.381 3.007 20 5 CGBDRO COC1CC(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595050119 347269246 /nfs/dbraw/zinc/26/92/46/347269246.db2.gz PMYBUUUYIPGZJG-HSBZDZAISA-N 1 0 292.379 3.369 20 5 CGBDRO COC1CC(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595049745 347269325 /nfs/dbraw/zinc/26/93/25/347269325.db2.gz OBVUUUAVFGDRRZ-DNOWBOINSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000595049792 347269360 /nfs/dbraw/zinc/26/93/60/347269360.db2.gz OQBPLNMYUBFBKG-QWHCGFSZSA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc([N+](=O)[O-])c1 ZINC000595053967 347271180 /nfs/dbraw/zinc/27/11/80/347271180.db2.gz KQBNQDBTPWSLJQ-WFASDCNBSA-N 1 0 291.395 3.118 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056925 347272913 /nfs/dbraw/zinc/27/29/13/347272913.db2.gz SSYOPRAKZWENGL-CVEARBPZSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(F)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595085285 347279332 /nfs/dbraw/zinc/27/93/32/347279332.db2.gz JTGSGBSSDCZEQL-LBPRGKRZSA-N 1 0 266.316 3.310 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000595423112 347300836 /nfs/dbraw/zinc/30/08/36/347300836.db2.gz MDGMBNPYRLCIPI-RVMXOQNASA-N 1 0 260.337 3.292 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000595094907 347282027 /nfs/dbraw/zinc/28/20/27/347282027.db2.gz OGKWVOKVKFENEF-LRDDRELGSA-N 1 0 292.379 3.451 20 5 CGBDRO CC1(C)C[C@]1(C)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000595098656 347283452 /nfs/dbraw/zinc/28/34/52/347283452.db2.gz DKECEYXWPQMVEQ-WFASDCNBSA-N 1 0 260.337 3.360 20 5 CGBDRO CC[C@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCCCC1 ZINC000595421425 347301004 /nfs/dbraw/zinc/30/10/04/347301004.db2.gz IWJYXUDGQAVYCL-LBPRGKRZSA-N 1 0 281.356 3.340 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000595756702 347351971 /nfs/dbraw/zinc/35/19/71/347351971.db2.gz VUXZALOMHZKVQF-NSHDSACASA-N 1 0 284.306 3.306 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000595429166 347302583 /nfs/dbraw/zinc/30/25/83/347302583.db2.gz MJEWKAQVNVWREC-JTQLQIEISA-N 1 0 266.316 3.402 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595440743 347303892 /nfs/dbraw/zinc/30/38/92/347303892.db2.gz GTBIEDRJKVXHSW-ZWNOBZJWSA-N 1 0 266.316 3.354 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595543483 347317270 /nfs/dbraw/zinc/31/72/70/347317270.db2.gz JYXKWNYOXFDKDQ-MEBBXXQBSA-N 1 0 296.342 3.027 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@@H]1CCCCO1 ZINC000595561503 347319714 /nfs/dbraw/zinc/31/97/14/347319714.db2.gz KGPXLXAUQNGBIM-ZFWWWQNUSA-N 1 0 296.342 3.171 20 5 CGBDRO CC(C)CC1([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595832981 347362766 /nfs/dbraw/zinc/36/27/66/347362766.db2.gz YUONCGRDPZDTKK-UHFFFAOYSA-N 1 0 262.353 3.306 20 5 CGBDRO CC1CC(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C1 ZINC000598676477 347677909 /nfs/dbraw/zinc/67/79/09/347677909.db2.gz IOMWLVIBTIGCMN-QIMFLAQGSA-N 1 0 260.337 3.218 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@@H]1C[C@H]1C1CC1 ZINC000598977832 347703081 /nfs/dbraw/zinc/70/30/81/347703081.db2.gz OAWNTGWVSXRWPF-UVBJJODRSA-N 1 0 274.364 3.162 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H]1CCCOC1 ZINC000598984830 347703498 /nfs/dbraw/zinc/70/34/98/347703498.db2.gz CRUZKQLAOWTWKB-RRFAQUSLSA-N 1 0 290.363 3.014 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000599673432 347763969 /nfs/dbraw/zinc/76/39/69/347763969.db2.gz OALJWMMGQPPOLW-LBPRGKRZSA-N 1 0 280.368 3.139 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])N1Cc2ccc(O)cc2C1 ZINC000599537079 347752851 /nfs/dbraw/zinc/75/28/51/347752851.db2.gz YQIWQBWATTVTBS-NSHDSACASA-N 1 0 284.315 3.377 20 5 CGBDRO O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)o1 ZINC000600192808 347791616 /nfs/dbraw/zinc/79/16/16/347791616.db2.gz SSEVIRYZCRFJBC-TXEJJXNPSA-N 1 0 284.315 3.307 20 5 CGBDRO COC[C@]1(C)CC[N@H+](Cc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000295146905 199371957 /nfs/dbraw/zinc/37/19/57/199371957.db2.gz QPBKQRKAJONCOZ-CQSZACIVSA-N 1 0 298.770 3.107 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc([C@@H]3CCC[NH2+]3)cc2)cn1 ZINC000600788568 347835953 /nfs/dbraw/zinc/83/59/53/347835953.db2.gz LHVGLKBDDNMHLJ-AWEZNQCLSA-N 1 0 269.304 3.081 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3ncccc32)c1 ZINC000601272588 347887081 /nfs/dbraw/zinc/88/70/81/347887081.db2.gz HVRQDQSDIOCIQU-KRWDZBQOSA-N 1 0 297.358 3.200 20 5 CGBDRO CC1([NH+]2CCCC2)CCN(c2sccc2[N+](=O)[O-])CC1 ZINC000601215738 347881632 /nfs/dbraw/zinc/88/16/32/347881632.db2.gz DVGNWCDSHWAMAR-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3=CCCC3)nc2c1 ZINC000602574582 347985796 /nfs/dbraw/zinc/98/57/96/347985796.db2.gz BUZFWHBMQBLWSF-UHFFFAOYSA-N 1 0 287.319 3.326 20 5 CGBDRO C[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602647493 348000357 /nfs/dbraw/zinc/00/03/57/348000357.db2.gz LDAAGZVBXXZMNB-GHMZBOCLSA-N 1 0 289.335 3.262 20 5 CGBDRO Cc1nocc1C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000602673476 348005549 /nfs/dbraw/zinc/00/55/49/348005549.db2.gz BXQBOMPOUYPYCG-NSHDSACASA-N 1 0 289.335 3.002 20 5 CGBDRO CC(C)[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602718717 348016341 /nfs/dbraw/zinc/01/63/41/348016341.db2.gz QJVDDSFASAUHHQ-HNNXBMFYSA-N 1 0 289.335 3.260 20 5 CGBDRO Cc1noc(C[N@@H+]2CC[C@]2(C)C2CCCCC2)c1[N+](=O)[O-] ZINC000603029740 348054365 /nfs/dbraw/zinc/05/43/65/348054365.db2.gz MYGZJRJCKFFLLS-OAHLLOKOSA-N 1 0 293.367 3.436 20 5 CGBDRO C[C@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCC[C@H](C)C1 ZINC000604433519 348120179 /nfs/dbraw/zinc/12/01/79/348120179.db2.gz TYHAPJAHODACAI-WDEREUQCSA-N 1 0 283.397 3.189 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCc3ccccc32)cc1 ZINC000610763639 348402702 /nfs/dbraw/zinc/40/27/02/348402702.db2.gz HPUVWWVZQTVEHQ-INIZCTEOSA-N 1 0 296.370 3.457 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)c(C)n1 ZINC000611300441 348436656 /nfs/dbraw/zinc/43/66/56/348436656.db2.gz MODZRGBJDJZGLA-ZDUSSCGKSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1cc(N2CC[C@@H](C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000611923455 348480506 /nfs/dbraw/zinc/48/05/06/348480506.db2.gz QIHIGNWAJDHFQE-SNVBAGLBSA-N 1 0 271.320 3.298 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCOC2(CCC2)C1 ZINC000273430565 192147187 /nfs/dbraw/zinc/14/71/87/192147187.db2.gz SYZAFSPDNDQZRR-AWEZNQCLSA-N 1 0 290.363 3.095 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000351978766 219272207 /nfs/dbraw/zinc/27/22/07/219272207.db2.gz ZOAMMHCYMHNMHW-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358023809 233039858 /nfs/dbraw/zinc/03/98/58/233039858.db2.gz XVGVSHTWJJIOHT-JMSVASOKSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H](C)c2cn[nH]c2)cccc1[N+](=O)[O-] ZINC000358368965 233118428 /nfs/dbraw/zinc/11/84/28/233118428.db2.gz OGABJJPZCMQJPB-GHMZBOCLSA-N 1 0 274.324 3.038 20 5 CGBDRO CC1(C)CCC[N@H+](CCNc2sccc2[N+](=O)[O-])C1 ZINC000618175373 349057117 /nfs/dbraw/zinc/05/71/17/349057117.db2.gz YGCWEIQDBFRNOZ-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO C[NH+](C)C1(CNc2ccc(F)cc2[N+](=O)[O-])CCCC1 ZINC000041620701 137889548 /nfs/dbraw/zinc/88/95/48/137889548.db2.gz UXYOSZPTIHTMGB-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])C1CCOCC1 ZINC000119750466 186849544 /nfs/dbraw/zinc/84/95/44/186849544.db2.gz WJKMIANSMFIKJR-JTQLQIEISA-N 1 0 298.770 3.153 20 5 CGBDRO CO[C@@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000417327587 293547830 /nfs/dbraw/zinc/54/78/30/293547830.db2.gz BRQAASXSZSRUFH-IUODEOHRSA-N 1 0 280.368 3.307 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]C2CC(C)C2)cc1[N+](=O)[O-] ZINC000271460373 191150322 /nfs/dbraw/zinc/15/03/22/191150322.db2.gz HNBFBOYVPPQJPG-QWKFWESOSA-N 1 0 278.352 3.443 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC)cc1[N+](=O)[O-] ZINC000152551854 188027812 /nfs/dbraw/zinc/02/78/12/188027812.db2.gz ZWQZNJFMVGWCRP-WDEREUQCSA-N 1 0 266.341 3.443 20 5 CGBDRO CC1(C)C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C(C)(C)O1 ZINC000155160745 188187998 /nfs/dbraw/zinc/18/79/98/188187998.db2.gz SNXXIYHLUKHVLL-JTQLQIEISA-N 1 0 284.381 3.092 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000155819356 188229354 /nfs/dbraw/zinc/22/93/54/188229354.db2.gz TZSGBTQSJNZVBT-VXGBXAGGSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157704514 188333292 /nfs/dbraw/zinc/33/32/92/188333292.db2.gz YHWHXVNCUBIXMO-JMSVASOKSA-N 1 0 280.368 3.043 20 5 CGBDRO CCCC[N@H+](C)CCNc1cc(C)c([N+](=O)[O-])cc1F ZINC000461942948 535226047 /nfs/dbraw/zinc/22/60/47/535226047.db2.gz DWKZSJZMARQIIR-UHFFFAOYSA-N 1 0 283.347 3.186 20 5 CGBDRO CCCC[N@H+](C)CCNc1ccc([N+](=O)[O-])c(C)c1 ZINC000514173671 535226234 /nfs/dbraw/zinc/22/62/34/535226234.db2.gz XNWNEWUTEMSSCX-UHFFFAOYSA-N 1 0 265.357 3.047 20 5 CGBDRO Cc1cc(NCCCC[N@@H+](C)C2CC2)ccc1[N+](=O)[O-] ZINC000413347550 235270749 /nfs/dbraw/zinc/27/07/49/235270749.db2.gz LLTKDNLYWMCEFB-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCc2nccs2)cccc1[N+](=O)[O-] ZINC000127911729 138391315 /nfs/dbraw/zinc/39/13/15/138391315.db2.gz CBCZFHFNQFFCMZ-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]([NH2+]C(C1CC1)C1CC1)c1ccc([N+](=O)[O-])cc1 ZINC000037177085 299256896 /nfs/dbraw/zinc/25/68/96/299256896.db2.gz PHQJGSXFPAJLRA-JTQLQIEISA-N 1 0 260.337 3.434 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000426475637 236298110 /nfs/dbraw/zinc/29/81/10/236298110.db2.gz YSAIHKBBWATIDZ-GXFFZTMASA-N 1 0 264.300 3.108 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000179394100 189191415 /nfs/dbraw/zinc/19/14/15/189191415.db2.gz CWIGAKRZOCJVKK-QWRGUYRKSA-N 1 0 278.352 3.443 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1(F)CCC1 ZINC000342228727 216268658 /nfs/dbraw/zinc/26/86/58/216268658.db2.gz ZKRJGNBLTXPPLI-UHFFFAOYSA-N 1 0 266.316 3.275 20 5 CGBDRO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000181138415 189288993 /nfs/dbraw/zinc/28/89/93/189288993.db2.gz CEHMMLCMPMNYBK-SWLSCSKDSA-N 1 0 294.395 3.433 20 5 CGBDRO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181235701 189291646 /nfs/dbraw/zinc/29/16/46/189291646.db2.gz FASULSKILDQAND-STQMWFEESA-N 1 0 280.368 3.369 20 5 CGBDRO C[C@@H]1C[C@H](N(C)c2ccc([N+](=O)[O-])cc2Cl)CC[N@@H+]1C ZINC000301414337 201000270 /nfs/dbraw/zinc/00/02/70/201000270.db2.gz LKKXHRTWXKVHFM-GHMZBOCLSA-N 1 0 297.786 3.167 20 5 CGBDRO C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])c1cccs1 ZINC000182551509 189326918 /nfs/dbraw/zinc/32/69/18/189326918.db2.gz HKOYHSUETJFLGM-LLVKDONJSA-N 1 0 292.360 3.386 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(C)CCOCC1 ZINC000537944810 288554009 /nfs/dbraw/zinc/55/40/09/288554009.db2.gz OGJOPJHLDZFKOH-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1cccs1 ZINC000449065527 239154656 /nfs/dbraw/zinc/15/46/56/239154656.db2.gz ZRCLGFIDYYJKGT-GFCCVEGCSA-N 1 0 290.388 3.420 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCC2CCOCC2)c(F)c1 ZINC000449353369 239341765 /nfs/dbraw/zinc/34/17/65/239341765.db2.gz AOOCSIIAWTXVEQ-UHFFFAOYSA-N 1 0 296.342 3.030 20 5 CGBDRO COc1ccc(C[N@@H+]2[C@H](C)CCC2(C)C)cc1[N+](=O)[O-] ZINC000452003983 240392524 /nfs/dbraw/zinc/39/25/24/240392524.db2.gz GZTNFOWKDGNCSL-LLVKDONJSA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)C(F)(F)F)cc1[N+](=O)[O-] ZINC000479604832 243116419 /nfs/dbraw/zinc/11/64/19/243116419.db2.gz OGFDMVSBEQNXSQ-SECBINFHSA-N 1 0 276.258 3.191 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]2Cc2ccccc2)cc1 ZINC000479116837 243094764 /nfs/dbraw/zinc/09/47/64/243094764.db2.gz SUQAPLIOQNAISI-GOSISDBHSA-N 1 0 296.370 3.454 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC000481185856 243182492 /nfs/dbraw/zinc/18/24/92/243182492.db2.gz UZGQVJRDDVPYLK-MGPQQGTHSA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000268961360 299389761 /nfs/dbraw/zinc/38/97/61/299389761.db2.gz LHSWFRXFKYAJFU-QWHCGFSZSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1)c1ccc([N+](=O)[O-])cc1 ZINC000037176797 369074035 /nfs/dbraw/zinc/07/40/35/369074035.db2.gz KIAMRSNUTXZXSP-GFCCVEGCSA-N 1 0 256.305 3.446 20 5 CGBDRO CCCCOCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000040506659 369159673 /nfs/dbraw/zinc/15/96/73/369159673.db2.gz OEBCKIUUNWPYFV-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO C[C@H]1C[C@H](C)[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493237813 244124857 /nfs/dbraw/zinc/12/48/57/244124857.db2.gz NQWPGWXIRFSHOX-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423146925 299399451 /nfs/dbraw/zinc/39/94/51/299399451.db2.gz QONVDXKQFRAWPW-YMRXKLBXSA-N 1 0 297.358 3.390 20 5 CGBDRO C[C@H]([NH2+]C[C@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000219220979 376197032 /nfs/dbraw/zinc/19/70/32/376197032.db2.gz PJAURADZLNSHJX-HZMBPMFUSA-N 1 0 292.360 3.041 20 5 CGBDRO C[N@H+](CCc1cccs1)Cc1csc([N+](=O)[O-])c1 ZINC000075966359 369923959 /nfs/dbraw/zinc/92/39/59/369923959.db2.gz UQJGPIVAPXOIJO-UHFFFAOYSA-N 1 0 282.390 3.392 20 5 CGBDRO CS[C@H](C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000090725080 370066771 /nfs/dbraw/zinc/06/67/71/370066771.db2.gz KCNRIVPHVLXXLM-GHMZBOCLSA-N 1 0 268.382 3.305 20 5 CGBDRO CS[C@H]1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000117393229 370589947 /nfs/dbraw/zinc/58/99/47/370589947.db2.gz VPWCRAXUWCXDKG-MNOVXSKESA-N 1 0 286.422 3.420 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1cncs1 ZINC000129621963 370996387 /nfs/dbraw/zinc/99/63/87/370996387.db2.gz SUAMZGKELHQZHI-UWVGGRQHSA-N 1 0 277.349 3.463 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C2CC2)cc1[N+](=O)[O-] ZINC000130915614 371070131 /nfs/dbraw/zinc/07/01/31/371070131.db2.gz RBONBRARLVZGBG-STQMWFEESA-N 1 0 291.395 3.037 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000131578143 371118035 /nfs/dbraw/zinc/11/80/35/371118035.db2.gz NTOUDQAQGMICGY-MFKMUULPSA-N 1 0 268.382 3.387 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CSCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000132600123 371186814 /nfs/dbraw/zinc/18/68/14/371186814.db2.gz MIAXVHPUJXNEOY-GXFFZTMASA-N 1 0 298.433 3.094 20 5 CGBDRO CSC(C)(C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000135384986 371421293 /nfs/dbraw/zinc/42/12/93/371421293.db2.gz FQIQVWCKOGPDIC-UHFFFAOYSA-N 1 0 288.800 3.479 20 5 CGBDRO Cc1cc(OCc2ccccc2[N+](=O)[O-])cc(C)[nH+]1 ZINC000152799219 371725531 /nfs/dbraw/zinc/72/55/31/371725531.db2.gz UWTXUEIQOHDUMT-UHFFFAOYSA-N 1 0 258.277 3.186 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCOC(F)(F)F)cccc1[N+](=O)[O-] ZINC000353315627 220023487 /nfs/dbraw/zinc/02/34/87/220023487.db2.gz QKPLKLMVOWIRQF-SECBINFHSA-N 1 0 292.257 3.090 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc(O)c(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000153458857 371768969 /nfs/dbraw/zinc/76/89/69/371768969.db2.gz RVKMSGFAWREKEE-JTQLQIEISA-N 1 0 290.294 3.290 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)cc1 ZINC000290298960 371958652 /nfs/dbraw/zinc/95/86/52/371958652.db2.gz BDBVKVDLWATSMG-IXDOHACOSA-N 1 0 280.327 3.023 20 5 CGBDRO CCC[N@H+](CC)CCN[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000156797184 371994894 /nfs/dbraw/zinc/99/48/94/371994894.db2.gz HSJZHARRABDVAY-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000290570160 372018478 /nfs/dbraw/zinc/01/84/78/372018478.db2.gz SZYMMPXTVUOEDD-FGTMMUONSA-N 1 0 294.354 3.331 20 5 CGBDRO CCCC[C@H](C[NH3+])N[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294695 372047950 /nfs/dbraw/zinc/04/79/50/372047950.db2.gz CSTDHIVGUAZQHD-CHWSQXEVSA-N 1 0 279.384 3.071 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCCSC2)cccc1[N+](=O)[O-] ZINC000159581427 372157470 /nfs/dbraw/zinc/15/74/70/372157470.db2.gz YCXNBCWANFUOMZ-NEPJUHHUSA-N 1 0 280.393 3.449 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCCS1 ZINC000344331820 217154905 /nfs/dbraw/zinc/15/49/05/217154905.db2.gz BINJZNCKYFILOA-BRLPQQTGSA-N 1 0 292.404 3.483 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000163164278 372450033 /nfs/dbraw/zinc/45/00/33/372450033.db2.gz XEGMNEXWIKAKII-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)OC ZINC000293687304 372450818 /nfs/dbraw/zinc/45/08/18/372450818.db2.gz NSOVNCCITQVKDM-RISCZKNCSA-N 1 0 266.341 3.061 20 5 CGBDRO COc1ccc(C[NH2+]Cc2ccsc2C)cc1[N+](=O)[O-] ZINC000293721069 372460903 /nfs/dbraw/zinc/46/09/03/372460903.db2.gz YNTHBHHUNZQMCI-UHFFFAOYSA-N 1 0 292.360 3.263 20 5 CGBDRO CCC[C@@H]([NH2+]CC[C@@H](O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000165430759 372550959 /nfs/dbraw/zinc/55/09/59/372550959.db2.gz PAWZLVDKCRIGBG-HZPDHXFCSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1(C)CCCO1 ZINC000167101243 372588384 /nfs/dbraw/zinc/58/83/84/372588384.db2.gz YTTRHPARPCJRHK-CJNGLKHVSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000168686927 372617292 /nfs/dbraw/zinc/61/72/92/372617292.db2.gz IJUBQPKQGHZJMN-NWDGAFQWSA-N 1 0 280.393 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000433807217 372633227 /nfs/dbraw/zinc/63/32/27/372633227.db2.gz DQNAJIRAEQZOSX-AWEZNQCLSA-N 1 0 289.379 3.332 20 5 CGBDRO CCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CCCC1 ZINC000294396760 372653082 /nfs/dbraw/zinc/65/30/82/372653082.db2.gz KSXLDDBLMIBGRQ-UHFFFAOYSA-N 1 0 293.323 3.315 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)CCCCCO)cc1[N+](=O)[O-] ZINC000435053564 372730417 /nfs/dbraw/zinc/73/04/17/372730417.db2.gz SHTQOMVXELGWDF-UHFFFAOYSA-N 1 0 294.395 3.313 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000295851780 372935664 /nfs/dbraw/zinc/93/56/64/372935664.db2.gz BAEHSDUHSUFROV-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO CO[C@H](C)CC[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000344860382 217337198 /nfs/dbraw/zinc/33/71/98/217337198.db2.gz ISCMNAKYLMSXRT-KIWPFMIBSA-N 1 0 278.352 3.013 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000173814376 373196044 /nfs/dbraw/zinc/19/60/44/373196044.db2.gz YFBODCKEOBNTQX-OCCSQVGLSA-N 1 0 260.337 3.359 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444588911 373202720 /nfs/dbraw/zinc/20/27/20/373202720.db2.gz HHYIZVCMTBZNLC-JTQLQIEISA-N 1 0 276.340 3.092 20 5 CGBDRO Cc1c(C[N@H+]2CC[C@H](C(C)C)C2)cccc1[N+](=O)[O-] ZINC000446737633 373355065 /nfs/dbraw/zinc/35/50/65/373355065.db2.gz XYKHHHVKIQKAEF-ZDUSSCGKSA-N 1 0 262.353 3.381 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NCCc1cn2ccccc2n1 ZINC000301168144 373681880 /nfs/dbraw/zinc/68/18/80/373681880.db2.gz JEHLUWIVIRLESY-UHFFFAOYSA-N 1 0 296.330 3.206 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC(C)(C)C[C@@H](C)O ZINC000539083162 288603336 /nfs/dbraw/zinc/60/33/36/288603336.db2.gz XBVROTLPAPSISN-OLZOCXBDSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])cn1 ZINC000449733892 373861179 /nfs/dbraw/zinc/86/11/79/373861179.db2.gz KWPOYJOCLNMHBQ-CQSZACIVSA-N 1 0 299.374 3.327 20 5 CGBDRO CC[NH+]1CCC(N(C)c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000302792062 373965883 /nfs/dbraw/zinc/96/58/83/373965883.db2.gz YWQBNYSNWRICOD-UHFFFAOYSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@H]([NH2+]CC[C@@H]1CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000180256253 373982883 /nfs/dbraw/zinc/98/28/83/373982883.db2.gz WFBHXIXKGLXXMS-WFASDCNBSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H](CCc1ccco1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000313809572 374305818 /nfs/dbraw/zinc/30/58/18/374305818.db2.gz ICMICEDZZVTEMH-NSHDSACASA-N 1 0 292.310 3.438 20 5 CGBDRO CC[C@@H](N[C@@H](C)C[N@H+](C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000314870290 374322803 /nfs/dbraw/zinc/32/28/03/374322803.db2.gz FUSARQDZHLZTDV-XJKSGUPXSA-N 1 0 293.411 3.364 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@H](C2CC2)C2CCC2)cc1 ZINC000324791250 374356412 /nfs/dbraw/zinc/35/64/12/374356412.db2.gz LTMSBKJWHIHMTN-INIZCTEOSA-N 1 0 290.363 3.142 20 5 CGBDRO CC/C=C/C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000453339491 374431575 /nfs/dbraw/zinc/43/15/75/374431575.db2.gz ZJMBLAPMVKTEKA-VFQAQYNWSA-N 1 0 274.364 3.472 20 5 CGBDRO CCCC[N@H+](CC)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184226723 374505687 /nfs/dbraw/zinc/50/56/87/374505687.db2.gz YFVJAYIFIJHAMN-UHFFFAOYSA-N 1 0 284.331 3.365 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184309092 374514243 /nfs/dbraw/zinc/51/42/43/374514243.db2.gz UUSARZZXWJYGHG-ZJUUUORDSA-N 1 0 284.331 3.267 20 5 CGBDRO CCOC(C)(C)C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000186535271 374871238 /nfs/dbraw/zinc/87/12/38/374871238.db2.gz WPQJEDRVUWYSIV-VQHVLOKHSA-N 1 0 278.352 3.013 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000464841231 374907234 /nfs/dbraw/zinc/90/72/34/374907234.db2.gz CDVIQRSZVKVHNQ-BETUJISGSA-N 1 0 292.379 3.470 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C1CCSCC1 ZINC000187318010 375003380 /nfs/dbraw/zinc/00/33/80/375003380.db2.gz XGPXNTAAPHFQPP-NSHDSACASA-N 1 0 280.393 3.216 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H](C)C1 ZINC000187612769 375055250 /nfs/dbraw/zinc/05/52/50/375055250.db2.gz VESZGCSRPVYATG-BHTHQVBYSA-N 1 0 292.379 3.043 20 5 CGBDRO CC(C)c1ccc(CNC[C@@H](C)C[NH+](C)C)cc1[N+](=O)[O-] ZINC000491588334 375333716 /nfs/dbraw/zinc/33/37/16/375333716.db2.gz HLUHKSKDUCBYBB-CYBMUJFWSA-N 1 0 293.411 3.006 20 5 CGBDRO CCOC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C(C)C ZINC000189355994 375373774 /nfs/dbraw/zinc/37/37/74/375373774.db2.gz PAGIDKRPIAYDHN-SWLSCSKDSA-N 1 0 280.368 3.307 20 5 CGBDRO COC1(CC[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000516877568 375823277 /nfs/dbraw/zinc/82/32/77/375823277.db2.gz IBPKTQPJRCDBRL-AWEZNQCLSA-N 1 0 290.363 3.131 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000336830874 375990120 /nfs/dbraw/zinc/99/01/20/375990120.db2.gz HOPXVWPVGHRDPS-LSDHHAIUSA-N 1 0 280.368 3.451 20 5 CGBDRO CCC(CC)[C@H](CNc1ncc([N+](=O)[O-])cc1C)[NH+](C)C ZINC000536530862 376094417 /nfs/dbraw/zinc/09/44/17/376094417.db2.gz MTLBJQYNWDPQNE-AWEZNQCLSA-N 1 0 294.399 3.077 20 5 CGBDRO C[C@@H]1C[C@H](C)[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000537616555 376180063 /nfs/dbraw/zinc/18/00/63/376180063.db2.gz FNUJQOYLTVDTHM-XHSUHYBKSA-N 1 0 260.337 3.338 20 5 CGBDRO CC[C@H](O)CCC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000537989022 376217747 /nfs/dbraw/zinc/21/77/47/376217747.db2.gz ZWIOTZGUMQCZLY-OCCSQVGLSA-N 1 0 280.368 3.105 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C)CC(F)(F)F)cc1[N+](=O)[O-] ZINC000222874059 376242945 /nfs/dbraw/zinc/24/29/45/376242945.db2.gz RYRMPSCHNGFTDR-QMMMGPOBSA-N 1 0 292.257 3.034 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@@H]2C2CCC2)cc1 ZINC000338002205 376253670 /nfs/dbraw/zinc/25/36/70/376253670.db2.gz UUDLRNKFDRTUJW-CABCVRRESA-N 1 0 260.337 3.263 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000540153860 376360783 /nfs/dbraw/zinc/36/07/83/376360783.db2.gz LCPMJRWIILEPKJ-DZGCQCFKSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000541769107 376479171 /nfs/dbraw/zinc/47/91/71/376479171.db2.gz XHTGATTWYPNMKW-TXEJJXNPSA-N 1 0 262.353 3.381 20 5 CGBDRO COCCCCC[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000230142436 376486442 /nfs/dbraw/zinc/48/64/42/376486442.db2.gz RRLHLIAHAOKMIY-UHFFFAOYSA-N 1 0 286.759 3.155 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000233847546 376604134 /nfs/dbraw/zinc/60/41/34/376604134.db2.gz XTAYZVSKYXSQPY-ZIAGYGMSSA-N 1 0 280.393 3.359 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000233992222 376606778 /nfs/dbraw/zinc/60/67/78/376606778.db2.gz IKOYNKNQSXVVPB-UONOGXRCSA-N 1 0 280.393 3.359 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000233993773 376607818 /nfs/dbraw/zinc/60/78/18/376607818.db2.gz WCTIYWIIEGBHGO-WDEREUQCSA-N 1 0 286.422 3.420 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccncc1F ZINC000340316281 376998180 /nfs/dbraw/zinc/99/81/80/376998180.db2.gz RBEANYSGVAQCKV-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CC[C@@H]1C[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)CCS1 ZINC000247559473 377224185 /nfs/dbraw/zinc/22/41/85/377224185.db2.gz QPPOPXVEDSFSQW-BXUZGUMPSA-N 1 0 280.393 3.483 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1[N+](=O)[O-] ZINC000248513128 377334668 /nfs/dbraw/zinc/33/46/68/377334668.db2.gz DAAFSJQDWXCDKE-SLEUVZQESA-N 1 0 278.352 3.121 20 5 CGBDRO COC(C)(C)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000451102426 284640288 /nfs/dbraw/zinc/64/02/88/284640288.db2.gz JAICCRGGFHBXIX-NSHDSACASA-N 1 0 266.341 3.061 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1OC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000515831839 249220731 /nfs/dbraw/zinc/22/07/31/249220731.db2.gz VKBDAYFFXDBJEH-JOCQHMNTSA-N 1 0 278.352 3.047 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCCC2CC2)n1 ZINC000516145755 249226495 /nfs/dbraw/zinc/22/64/95/249226495.db2.gz OLSLXNMENHYVTO-ZIAGYGMSSA-N 1 0 292.383 3.055 20 5 CGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1F)C1CCCCC1 ZINC000519037873 249291156 /nfs/dbraw/zinc/29/11/56/249291156.db2.gz TWTCHGCKKNNTFQ-UHFFFAOYSA-N 1 0 295.358 3.410 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cccc1[N+](=O)[O-] ZINC000252696392 377652744 /nfs/dbraw/zinc/65/27/44/377652744.db2.gz ZJPVNCHIKBJCQH-HEHGZKQESA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC[C@@H]1CCCO1 ZINC000342591041 377678179 /nfs/dbraw/zinc/67/81/79/377678179.db2.gz DFTISGQFBWNHSN-OLZOCXBDSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@@H]1CCCO1 ZINC000342595157 377680807 /nfs/dbraw/zinc/68/08/07/377680807.db2.gz HFDBVYGOOOEAMZ-DOMZBBRYSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCOC(F)F ZINC000574904592 377723253 /nfs/dbraw/zinc/72/32/53/377723253.db2.gz JVPDZQMKHHLWEN-SNVBAGLBSA-N 1 0 288.294 3.183 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000268340631 378053070 /nfs/dbraw/zinc/05/30/70/378053070.db2.gz PDOHRMZHNCBXJU-RWMBFGLXSA-N 1 0 260.337 3.388 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCSC ZINC000343668282 378060020 /nfs/dbraw/zinc/06/00/20/378060020.db2.gz ALDFQCWSZSHEPP-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO CC[C@H]1C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000343680741 378064698 /nfs/dbraw/zinc/06/46/98/378064698.db2.gz PXOLJRBSFGTZJY-KKTNHOPESA-N 1 0 290.363 3.109 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000268914199 378151090 /nfs/dbraw/zinc/15/10/90/378151090.db2.gz IMGDYESSVBOSDR-LSDHHAIUSA-N 1 0 280.368 3.307 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000578747780 378096980 /nfs/dbraw/zinc/09/69/80/378096980.db2.gz PWWNIGPNWNKONQ-GMXVVIOVSA-N 1 0 278.352 3.443 20 5 CGBDRO CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272042958 378551326 /nfs/dbraw/zinc/55/13/26/378551326.db2.gz WNLLANSQAKJUCP-GOEBONIOSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272477219 378646440 /nfs/dbraw/zinc/64/64/40/378646440.db2.gz GEPBXJSBOUODIY-XNRPHZJLSA-N 1 0 292.379 3.139 20 5 CGBDRO CCS[C@H]1CCC[C@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000348482421 378965851 /nfs/dbraw/zinc/96/58/51/378965851.db2.gz WCJSFZHRDJFLIN-OCCSQVGLSA-N 1 0 298.383 3.498 20 5 CGBDRO CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]C[C@H](C)OC ZINC000276873609 379010017 /nfs/dbraw/zinc/01/00/17/379010017.db2.gz FGZNOWHMARQWSB-NWDGAFQWSA-N 1 0 298.408 3.090 20 5 CGBDRO CCCN(CCC[NH+](C)C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000349374041 379255658 /nfs/dbraw/zinc/25/56/58/379255658.db2.gz XXAGGTFXYHXFCT-UHFFFAOYSA-N 1 0 293.411 3.067 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347614593 218292629 /nfs/dbraw/zinc/29/26/29/218292629.db2.gz PLDBKMJBPZEQQA-WDEREUQCSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@H]([NH2+]CCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000266818419 190282821 /nfs/dbraw/zinc/28/28/21/190282821.db2.gz YMOKCKUAYFZMKV-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CCOCC1 ZINC000350112880 379509803 /nfs/dbraw/zinc/50/98/03/379509803.db2.gz WPGHEPJLWFHBPY-MRXNPFEDSA-N 1 0 292.379 3.198 20 5 CGBDRO CC(C)n1nccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279963472 379564909 /nfs/dbraw/zinc/56/49/09/379564909.db2.gz PHLBXLMHZPJKIE-GFCCVEGCSA-N 1 0 288.351 3.223 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)cs1 ZINC000347669123 218315110 /nfs/dbraw/zinc/31/51/10/218315110.db2.gz WOWLAFWBVHSJJR-CYBMUJFWSA-N 1 0 296.392 3.047 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402362005 379964106 /nfs/dbraw/zinc/96/41/06/379964106.db2.gz VYIIBCNOOFJXLJ-KBPBESRZSA-N 1 0 292.379 3.371 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000352780063 379956170 /nfs/dbraw/zinc/95/61/70/379956170.db2.gz RLAZUPIAYXVWIF-GFCCVEGCSA-N 1 0 298.408 3.177 20 5 CGBDRO COCC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000353076863 380105722 /nfs/dbraw/zinc/10/57/22/380105722.db2.gz CBTDALHNRQSBIV-UHFFFAOYSA-N 1 0 292.379 3.281 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCOCC1CC1 ZINC000268053158 190372579 /nfs/dbraw/zinc/37/25/79/190372579.db2.gz WNMWDPGCRGPRAK-GFCCVEGCSA-N 1 0 278.352 3.014 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000353123490 380127760 /nfs/dbraw/zinc/12/77/60/380127760.db2.gz QAPZLHAYNQLOAV-AWEZNQCLSA-N 1 0 293.411 3.113 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@@](C)(CO)C(C)C)cc1[N+](=O)[O-] ZINC000353127981 380129297 /nfs/dbraw/zinc/12/92/97/380129297.db2.gz SINQELHERYYFSB-INIZCTEOSA-N 1 0 294.395 3.215 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1C[C@@H](C)O[C@@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000414285479 380207474 /nfs/dbraw/zinc/20/74/74/380207474.db2.gz RSQDMOCDTITCLC-GFQSEFKGSA-N 1 0 278.352 3.059 20 5 CGBDRO CO[C@](C)([C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C)C1CC1 ZINC000414506278 380282298 /nfs/dbraw/zinc/28/22/98/380282298.db2.gz WJVKNRHBHNDZAX-BLLLJJGKSA-N 1 0 292.379 3.196 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000355132230 380590912 /nfs/dbraw/zinc/59/09/12/380590912.db2.gz JDVFKLLUDRKSOM-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@@H](C[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21)OC ZINC000417349888 380601780 /nfs/dbraw/zinc/60/17/80/380601780.db2.gz NEMGGJMXRYBIDK-GOEBONIOSA-N 1 0 292.379 3.377 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H](C)[C@H]1C ZINC000418112183 380702248 /nfs/dbraw/zinc/70/22/48/380702248.db2.gz BADDUBKDVKAPEF-UTLUCORTSA-N 1 0 254.355 3.133 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000421373904 380912103 /nfs/dbraw/zinc/91/21/03/380912103.db2.gz FFUXPCMPCYBSHN-NWANDNLSSA-N 1 0 292.379 3.073 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)CC1 ZINC000357114400 381035147 /nfs/dbraw/zinc/03/51/47/381035147.db2.gz DRWFUPKRGOBLDY-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000359994203 381403050 /nfs/dbraw/zinc/40/30/50/381403050.db2.gz URTBEMHJZAASBZ-JTQLQIEISA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)CC2CCC2)cc1[N+](=O)[O-] ZINC000280969445 195050775 /nfs/dbraw/zinc/05/07/75/195050775.db2.gz LFHZTJWZRDYXHN-DOMZBBRYSA-N 1 0 292.379 3.105 20 5 CGBDRO CCC[N@H+](CCc1ccccn1)Cc1ccc([N+](=O)[O-])cc1 ZINC000289141928 197245051 /nfs/dbraw/zinc/24/50/51/197245051.db2.gz AJRJOLFSZGVJKA-UHFFFAOYSA-N 1 0 299.374 3.445 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CC2CCCC2)n1 ZINC000447551405 285169489 /nfs/dbraw/zinc/16/94/89/285169489.db2.gz QFALEADTYFTFOY-KGLIPLIRSA-N 1 0 292.383 3.055 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@H]1CCCC[C@@H]1C ZINC000430216416 533136689 /nfs/dbraw/zinc/13/66/89/533136689.db2.gz HCTQCRPQBYXJHG-FZMZJTMJSA-N 1 0 278.352 3.272 20 5 CGBDRO CCc1cc(NCCc2ccc([N+](=O)[O-])cc2)cc[nH+]1 ZINC000307766663 542422719 /nfs/dbraw/zinc/42/27/19/542422719.db2.gz FBUPULBHVAXKLI-UHFFFAOYSA-N 1 0 271.320 3.207 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cnc(C)o1 ZINC000459677177 533408701 /nfs/dbraw/zinc/40/87/01/533408701.db2.gz PKEBTUBIHIENNH-IZZDOVSWSA-N 1 0 287.319 3.084 20 5 CGBDRO C[C@H](Cc1ccsc1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000048557185 392002987 /nfs/dbraw/zinc/00/29/87/392002987.db2.gz WEIDFRMNJMDEFS-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000054081034 392088371 /nfs/dbraw/zinc/08/83/71/392088371.db2.gz LOMAELSSZOYAPJ-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000361948381 392373210 /nfs/dbraw/zinc/37/32/10/392373210.db2.gz ZDBBTGIODXZNDS-SUZMYJTESA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000263725394 131316296 /nfs/dbraw/zinc/31/62/96/131316296.db2.gz DEYBHQNHZIHVFO-ZDUSSCGKSA-N 1 0 292.379 3.110 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000123069496 392425122 /nfs/dbraw/zinc/42/51/22/392425122.db2.gz SARCWKWWEDTSOZ-UWVGGRQHSA-N 1 0 252.289 3.107 20 5 CGBDRO CCC[N@H+](CCc1ccccn1)Cc1ccccc1[N+](=O)[O-] ZINC000289747410 392431395 /nfs/dbraw/zinc/43/13/95/392431395.db2.gz IXIZFRGNOMAZLH-UHFFFAOYSA-N 1 0 299.374 3.445 20 5 CGBDRO CO[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000374675183 392688097 /nfs/dbraw/zinc/68/80/97/392688097.db2.gz DYGGRHDREOQLNV-ZDUSSCGKSA-N 1 0 298.770 3.249 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CS1 ZINC000332071362 392697471 /nfs/dbraw/zinc/69/74/71/392697471.db2.gz VROGFCDZFVSFSO-GMXABZIVSA-N 1 0 292.404 3.456 20 5 CGBDRO CC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000522711323 392932020 /nfs/dbraw/zinc/93/20/20/392932020.db2.gz VMXDYEQQSMBHDX-CQSZACIVSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@H]1CCC[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000525640068 392943024 /nfs/dbraw/zinc/94/30/24/392943024.db2.gz NXQDHPCRDZHERJ-KBPBESRZSA-N 1 0 292.379 3.484 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@H]1C ZINC000466421479 393029062 /nfs/dbraw/zinc/02/90/62/393029062.db2.gz DLIZCUZGFBVFCZ-DGCLKSJQSA-N 1 0 262.353 3.429 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(O)c1 ZINC000468631989 393156734 /nfs/dbraw/zinc/15/67/34/393156734.db2.gz RGEGJDCJLIGPRB-JYRVWZFOSA-N 1 0 298.342 3.494 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cccc(O)c1 ZINC000468631990 393157026 /nfs/dbraw/zinc/15/70/26/393157026.db2.gz RGEGJDCJLIGPRB-MDWZMJQESA-N 1 0 298.342 3.494 20 5 CGBDRO CC(C)(C)[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000270631656 393240265 /nfs/dbraw/zinc/24/02/65/393240265.db2.gz HPWFNNMFMJAEKG-HIFRSBDPSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H]1CCSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276862369 393301992 /nfs/dbraw/zinc/30/19/92/393301992.db2.gz XCXYULRUHVOAHH-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO CCC(CC)[C@H](CNc1cc(C)c([N+](=O)[O-])cn1)[NH+](C)C ZINC000470867873 393261254 /nfs/dbraw/zinc/26/12/54/393261254.db2.gz VUQMNBGZDJCDOQ-AWEZNQCLSA-N 1 0 294.399 3.077 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000475151589 393378795 /nfs/dbraw/zinc/37/87/95/393378795.db2.gz QWSFYGCBQZPETJ-JHJVBQTASA-N 1 0 292.379 3.470 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214533 393540883 /nfs/dbraw/zinc/54/08/83/393540883.db2.gz ZVEJSFKETSJWEC-WCQYABFASA-N 1 0 278.352 3.366 20 5 CGBDRO C[C@H]1CC[C@H]([N@H+](C)Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000429578707 393485714 /nfs/dbraw/zinc/48/57/14/393485714.db2.gz JMUSTVUPNCAFHJ-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000488510382 393529714 /nfs/dbraw/zinc/52/97/14/393529714.db2.gz BACNBFJHJRQLMU-KOLCDFICSA-N 1 0 268.744 3.036 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H](CC(C)C)C2)ccc1[N+](=O)[O-] ZINC000490099026 393631958 /nfs/dbraw/zinc/63/19/58/393631958.db2.gz DWVDMJFFNINDRJ-CQSZACIVSA-N 1 0 292.379 3.471 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@@H](C)CC)ccc1[N+](=O)[O-] ZINC000492514856 393747210 /nfs/dbraw/zinc/74/72/10/393747210.db2.gz OHIZTIBXALPMAW-NSHDSACASA-N 1 0 266.341 3.224 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@H](C)CC)ccc1[N+](=O)[O-] ZINC000492514855 393747441 /nfs/dbraw/zinc/74/74/41/393747441.db2.gz OHIZTIBXALPMAW-LLVKDONJSA-N 1 0 266.341 3.224 20 5 CGBDRO CCC[N@H+](CC)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492565184 393754410 /nfs/dbraw/zinc/75/44/10/393754410.db2.gz WKDVJVSOXVUYBQ-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO CCOc1cc(C[N@@H+]2CCCC2(C)C)ccc1[N+](=O)[O-] ZINC000492396248 393728200 /nfs/dbraw/zinc/72/82/00/393728200.db2.gz ILMDRYGMUWZQRV-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO CC(C)C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C(C)C ZINC000444588733 393789668 /nfs/dbraw/zinc/78/96/68/393789668.db2.gz GGUTYNDSYDMATH-UHFFFAOYSA-N 1 0 290.367 3.338 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000500421739 393828167 /nfs/dbraw/zinc/82/81/67/393828167.db2.gz OMDRBWFCJQLIJZ-CYBMUJFWSA-N 1 0 277.368 3.271 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)cs1 ZINC000449531332 393885162 /nfs/dbraw/zinc/88/51/62/393885162.db2.gz BLZQGVYAGOVUBU-JSGCOSHPSA-N 1 0 278.377 3.277 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2(C)CC2)CC1 ZINC000449672292 393938325 /nfs/dbraw/zinc/93/83/25/393938325.db2.gz MCOULNRPQCPDIN-UHFFFAOYSA-N 1 0 260.337 3.326 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000452016089 394049588 /nfs/dbraw/zinc/04/95/88/394049588.db2.gz WCTXYPDGUOIJFP-JTQLQIEISA-N 1 0 288.351 3.234 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCOC(C)(C)C1 ZINC000453586748 394251691 /nfs/dbraw/zinc/25/16/91/394251691.db2.gz VURHPKUGNZKMFV-ZDUSSCGKSA-N 1 0 292.379 3.198 20 5 CGBDRO COCCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000151038034 292307163 /nfs/dbraw/zinc/30/71/63/292307163.db2.gz LJPXNMSQQKQAGN-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H](c1ccco1)[N@H+](C)CCc1ccc([N+](=O)[O-])cc1 ZINC000069066465 165049881 /nfs/dbraw/zinc/04/98/81/165049881.db2.gz RODHEGJMFRMRLB-LBPRGKRZSA-N 1 0 274.320 3.423 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3[nH]ccc32)cc1 ZINC000070939100 165064125 /nfs/dbraw/zinc/06/41/25/165064125.db2.gz VXZTWRLJQZXVAH-UHFFFAOYSA-N 1 0 281.315 3.366 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000090587895 287102856 /nfs/dbraw/zinc/10/28/56/287102856.db2.gz DCLURZKPPLPVFP-STQMWFEESA-N 1 0 294.395 3.351 20 5 CGBDRO CC[NH+](CC)Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000089883273 165219775 /nfs/dbraw/zinc/21/97/75/165219775.db2.gz DQPAFYNPECJDJM-UHFFFAOYSA-N 1 0 275.308 3.092 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CO)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000092392850 165295529 /nfs/dbraw/zinc/29/55/29/165295529.db2.gz SEAYCAFTRBMHDB-LSDHHAIUSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)C[C@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093840032 165340026 /nfs/dbraw/zinc/34/00/26/165340026.db2.gz PZEWPJCQLBAUMR-CQSZACIVSA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000094324523 287122108 /nfs/dbraw/zinc/12/21/08/287122108.db2.gz QFULGEPRUXTSIK-CQSZACIVSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(Cl)cccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000119876679 287174862 /nfs/dbraw/zinc/17/48/62/287174862.db2.gz DCQGILMJPRVKHB-GXTWGEPZSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000123292223 287218100 /nfs/dbraw/zinc/21/81/00/287218100.db2.gz JTZKARKPPBGWIU-HNNXBMFYSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1ccc([C@@H](C)NCCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000020129207 171017604 /nfs/dbraw/zinc/01/76/04/171017604.db2.gz WGMGPEQRRXFLPM-CQSZACIVSA-N 1 0 291.395 3.040 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1[N+](=O)[O-] ZINC000020208779 171073442 /nfs/dbraw/zinc/07/34/42/171073442.db2.gz DAAFSJQDWXCDKE-HUBLWGQQSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cnn1C ZINC000037167373 173001379 /nfs/dbraw/zinc/00/13/79/173001379.db2.gz ZTXRPGIDPFBXIQ-WDEREUQCSA-N 1 0 288.351 3.049 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCCc2ccccc2)cs1 ZINC000037562561 173272825 /nfs/dbraw/zinc/27/28/25/173272825.db2.gz XVFIXHCLTNYSFC-UHFFFAOYSA-N 1 0 276.361 3.379 20 5 CGBDRO CCCC[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675989 174373751 /nfs/dbraw/zinc/37/37/51/174373751.db2.gz IEHYFBHWIROFKJ-GFCCVEGCSA-N 1 0 250.342 3.306 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000071954209 176304335 /nfs/dbraw/zinc/30/43/35/176304335.db2.gz ANHYXAXCQSCWBR-OLZOCXBDSA-N 1 0 277.368 3.127 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](CC)C1 ZINC000355085788 227383785 /nfs/dbraw/zinc/38/37/85/227383785.db2.gz YSHUYDIOIVBJRD-GFCCVEGCSA-N 1 0 278.352 3.225 20 5 CGBDRO CC[NH+](CC)CCCN[C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000131429750 287379705 /nfs/dbraw/zinc/37/97/05/287379705.db2.gz FBYWENGYFJVKGF-CQSZACIVSA-N 1 0 293.411 3.286 20 5 CGBDRO O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]C[C@H]2CC23CC3)c1 ZINC000418097901 228036197 /nfs/dbraw/zinc/03/61/97/228036197.db2.gz OASFCYSXLSKATA-SNVBAGLBSA-N 1 0 298.289 3.086 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOC(C)(C)C ZINC000526046812 260205406 /nfs/dbraw/zinc/20/54/06/260205406.db2.gz QKWIFYQKBNQONN-RAXLEYEMSA-N 1 0 292.379 3.403 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)[C@@H]1CCCO1 ZINC000192659708 262207889 /nfs/dbraw/zinc/20/78/89/262207889.db2.gz FVHNGMMCLWRAGT-XZJROXQQSA-N 1 0 290.363 3.129 20 5 CGBDRO Cc1c(CSCC2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC000519766315 265597661 /nfs/dbraw/zinc/59/76/61/265597661.db2.gz DCODMFYBWGGFEU-UHFFFAOYSA-N 1 0 280.393 3.136 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000522015061 270103715 /nfs/dbraw/zinc/10/37/15/270103715.db2.gz VMSOFBZPWWDYDV-MFKMUULPSA-N 1 0 260.337 3.218 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)o1 ZINC000531685559 270208495 /nfs/dbraw/zinc/20/84/95/270208495.db2.gz HNEXPJQLSXUIRG-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc21 ZINC000290499331 273589425 /nfs/dbraw/zinc/58/94/25/273589425.db2.gz YCRDFVWGKZTYDX-ABAIWWIYSA-N 1 0 290.363 3.086 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCCCO1 ZINC000106866788 276002209 /nfs/dbraw/zinc/00/22/09/276002209.db2.gz VJLPJNJKDDRCGA-INIZCTEOSA-N 1 0 292.379 3.376 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000353972755 276011844 /nfs/dbraw/zinc/01/18/44/276011844.db2.gz ORIMDBWAMHIJAS-BBRMVZONSA-N 1 0 291.395 3.120 20 5 CGBDRO CCC[NH+](CCC)[C@@H](C)C(=O)Nc1ccccc1[N+](=O)[O-] ZINC000267861456 276253012 /nfs/dbraw/zinc/25/30/12/276253012.db2.gz IIXBGFAWPPEZMA-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO Cc1cc(C)c(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000397025161 288020391 /nfs/dbraw/zinc/02/03/91/288020391.db2.gz JNZMWQCEJATSKY-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157874281 278283470 /nfs/dbraw/zinc/28/34/70/278283470.db2.gz AZAQYTMHWZZDFY-PJODQICGSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc(C[NH+]2CC3(C2)CCCC3)cc1[N+](=O)[O-] ZINC000459556218 288096779 /nfs/dbraw/zinc/09/67/79/288096779.db2.gz FKHOVKORLPWGEF-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO O=[N+]([O-])c1cccc(CCNc2cc[nH+]c3ccccc23)c1 ZINC000536154307 288474937 /nfs/dbraw/zinc/47/49/37/288474937.db2.gz GMEOFYKRMYJULK-UHFFFAOYSA-N 1 0 293.326 3.220 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2C)o1 ZINC000542705075 288767898 /nfs/dbraw/zinc/76/78/98/288767898.db2.gz NORUNZOPGURCOU-UHFFFAOYSA-N 1 0 274.320 3.137 20 5 CGBDRO CS[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC000543237393 288793886 /nfs/dbraw/zinc/79/38/86/288793886.db2.gz DLDFRAFAOYELSI-ZDUSSCGKSA-N 1 0 282.409 3.462 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1(C2CC2)CC1 ZINC000543454734 288805345 /nfs/dbraw/zinc/80/53/45/288805345.db2.gz OOPCBAYMCHKLGU-UHFFFAOYSA-N 1 0 266.728 3.280 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H](C)F ZINC000550274019 289072040 /nfs/dbraw/zinc/07/20/40/289072040.db2.gz ZLAKXFIFVXQQCB-OBIHZWKSSA-N 1 0 266.316 3.336 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000553074444 289207451 /nfs/dbraw/zinc/20/74/51/289207451.db2.gz IHTQAUFWLWNPKX-NSHDSACASA-N 1 0 293.342 3.163 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]2OCC[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000178062790 290050246 /nfs/dbraw/zinc/05/02/46/290050246.db2.gz OMQODYLKIWLXBY-BJKJVOPESA-N 1 0 290.363 3.203 20 5 CGBDRO C[N@@H+]1CC[C@H](Nc2ccccc2[N+](=O)[O-])[C@@H]1c1ccccc1 ZINC000301826158 290226346 /nfs/dbraw/zinc/22/63/46/290226346.db2.gz FAMGAPPXJRHFPW-RDJZCZTQSA-N 1 0 297.358 3.452 20 5 CGBDRO CC[C@@H]([NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000580120718 327704705 /nfs/dbraw/zinc/70/47/05/327704705.db2.gz BDSVOGFUEWEPKC-OAHLLOKOSA-N 1 0 287.363 3.397 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388272724 327864252 /nfs/dbraw/zinc/86/42/52/327864252.db2.gz HTWPLAYNZNKZMU-KNXALSJPSA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000163368305 321894265 /nfs/dbraw/zinc/89/42/65/321894265.db2.gz MPCSOXFLCBVTHB-YDHLFZDLSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1ccc(NC(=O)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C)n1 ZINC000563668597 322006046 /nfs/dbraw/zinc/00/60/46/322006046.db2.gz DEXHPJYFLRDRBG-NSHDSACASA-N 1 0 299.330 3.349 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000564783221 322042651 /nfs/dbraw/zinc/04/26/51/322042651.db2.gz GCXJRXNOJJJABA-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H]1C1CC1)c1ccccc1[N+](=O)[O-] ZINC000573908515 322412966 /nfs/dbraw/zinc/41/29/66/322412966.db2.gz UZRXQUNVUNNYPZ-BPNCWPANSA-N 1 0 260.337 3.434 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCC1CC1 ZINC000584361521 329102632 /nfs/dbraw/zinc/10/26/32/329102632.db2.gz UBALPVINZHAJPO-CQSZACIVSA-N 1 0 260.337 3.362 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@H]1F ZINC000580534516 335108294 /nfs/dbraw/zinc/10/82/94/335108294.db2.gz MYEALJPWUPOGFV-BNOWGMLFSA-N 1 0 280.343 3.396 20 5 CGBDRO CCc1cccnc1[C@@H](C)[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000507505789 500608773 /nfs/dbraw/zinc/60/87/73/500608773.db2.gz DTAJYCIYYQNUOU-CYBMUJFWSA-N 1 0 299.374 3.446 20 5 CGBDRO CC(C)C[C@H](C[NH3+])NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414839011 500611692 /nfs/dbraw/zinc/61/16/92/500611692.db2.gz LGGHEAGQXWOAMH-CQSZACIVSA-N 1 0 293.411 3.181 20 5 CGBDRO COc1cc(C[N@@H+]2CC[C@H]3CCC[C@@H]32)c([N+](=O)[O-])cc1F ZINC000426476341 533823730 /nfs/dbraw/zinc/82/37/30/533823730.db2.gz ROTYZYYIHKMXFP-MFKMUULPSA-N 1 0 294.326 3.117 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1C[C@H]1C ZINC000414115127 533870153 /nfs/dbraw/zinc/87/01/53/533870153.db2.gz UQUNMSFLBPTRGV-GBIKHYSHSA-N 1 0 282.771 3.425 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)c1ccc(F)cn1 ZINC000147794548 533870304 /nfs/dbraw/zinc/87/03/04/533870304.db2.gz PXFLFQXYUIHVHN-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCSC1 ZINC000449181490 534254414 /nfs/dbraw/zinc/25/44/14/534254414.db2.gz HRQDPDUKNWMDLJ-WCQYABFASA-N 1 0 280.393 3.011 20 5 CGBDRO CC(C)[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000049531853 519726592 /nfs/dbraw/zinc/72/65/92/519726592.db2.gz IMCBVKLCKODHOO-UHFFFAOYSA-N 1 0 260.293 3.353 20 5 CGBDRO CCCC[N@H+](CC)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083168332 520478487 /nfs/dbraw/zinc/47/84/87/520478487.db2.gz WPMYLAGZKZYFGA-UHFFFAOYSA-N 1 0 277.324 3.358 20 5 CGBDRO CCC[C@H]([NH2+]C[C@](C)(O)CC)c1cccc([N+](=O)[O-])c1 ZINC000087012313 521161783 /nfs/dbraw/zinc/16/17/83/521161783.db2.gz ATGWEYFIVPMZJX-LSDHHAIUSA-N 1 0 280.368 3.187 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1C ZINC000183492932 522514602 /nfs/dbraw/zinc/51/46/02/522514602.db2.gz CONZAUFTTZJXRY-LBPRGKRZSA-N 1 0 280.368 3.196 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000094948577 522847275 /nfs/dbraw/zinc/84/72/75/522847275.db2.gz SAHMAJNHMUCPKP-SWLSCSKDSA-N 1 0 280.368 3.044 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083168541 523091015 /nfs/dbraw/zinc/09/10/15/523091015.db2.gz GJPKMFIKTVIWLC-NSHDSACASA-N 1 0 289.335 3.358 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000183712299 524402096 /nfs/dbraw/zinc/40/20/96/524402096.db2.gz JAKHNCZSUXFCMU-CYBMUJFWSA-N 1 0 285.347 3.491 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CC2 ZINC000424319535 534887725 /nfs/dbraw/zinc/88/77/25/534887725.db2.gz ILNXZSAGAZHRLO-DUVNUKRYSA-N 1 0 286.375 3.448 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000085971094 525922358 /nfs/dbraw/zinc/92/23/58/525922358.db2.gz FCIJAQPSVAGNIX-NOLJZWGESA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCCC(F)(F)F ZINC000097988939 527401047 /nfs/dbraw/zinc/40/10/47/527401047.db2.gz MURGWNBZLPIYKS-UHFFFAOYSA-N 1 0 262.231 3.027 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC1(C)C ZINC000414482700 527530467 /nfs/dbraw/zinc/53/04/67/527530467.db2.gz GLSIZWDELGAYFL-OIOXUXFSSA-N 1 0 260.337 3.386 20 5 CGBDRO CC(C)(C)CC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000437789578 527669476 /nfs/dbraw/zinc/66/94/76/527669476.db2.gz RHOOZPXOUMZZOS-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO CCC([NH3+])(CC)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423286235 528950274 /nfs/dbraw/zinc/95/02/74/528950274.db2.gz GDVRPSRTBNDNFP-LBPRGKRZSA-N 1 0 279.384 3.071 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000414192207 529177186 /nfs/dbraw/zinc/17/71/86/529177186.db2.gz HGGRNTYGAZEOPY-IUODEOHRSA-N 1 0 280.368 3.308 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358145283 529220766 /nfs/dbraw/zinc/22/07/66/529220766.db2.gz ABSRDJGILKVYFU-CHWSQXEVSA-N 1 0 280.368 3.105 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC)cc1[N+](=O)[O-] ZINC000191646911 535413137 /nfs/dbraw/zinc/41/31/37/535413137.db2.gz JSFUKXKSAZRAHS-QJPTWQEYSA-N 1 0 296.367 3.068 20 5 CGBDRO CC[C@@H](C)C[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1OC ZINC000482840238 535509159 /nfs/dbraw/zinc/50/91/59/535509159.db2.gz IWEGFNGWMAXDRP-GFCCVEGCSA-N 1 0 280.368 3.471 20 5 CGBDRO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)[C@H]1CCOC1 ZINC000463023184 535765072 /nfs/dbraw/zinc/76/50/72/535765072.db2.gz HBNMXIIWCWWTKB-OVHOFWQVSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[N@@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)C[C@@H](C)OC ZINC000462824595 535765388 /nfs/dbraw/zinc/76/53/88/535765388.db2.gz FHOFMYVQPCSTNU-KADHNRKRSA-N 1 0 292.379 3.355 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)C[C@H]1C ZINC000451575142 536694039 /nfs/dbraw/zinc/69/40/39/536694039.db2.gz SBSNSDIBKAPACQ-XJKCOSOUSA-N 1 0 292.379 3.321 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1CCNc1cccc(F)c1[N+](=O)[O-] ZINC000730807098 572377102 /nfs/dbraw/zinc/37/71/02/572377102.db2.gz YQFJZYVRVCZJGZ-RYUDHWBXSA-N 1 0 295.358 3.409 20 5 CGBDRO CC[N@@H+]1CC[C@H](N(C)c2ccc([N+](=O)[O-])cc2F)C[C@@H]1C ZINC000740870616 572462708 /nfs/dbraw/zinc/46/27/08/572462708.db2.gz GPNOPRPHYPHMLZ-RYUDHWBXSA-N 1 0 295.358 3.043 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000741790951 572529129 /nfs/dbraw/zinc/52/91/29/572529129.db2.gz OIQQTFZKGKIBTJ-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000734001114 572622381 /nfs/dbraw/zinc/62/23/81/572622381.db2.gz IWINQSKPOVUICT-NSHDSACASA-N 1 0 266.316 3.498 20 5 CGBDRO Cc1ccc(N2CCC[N@@H+](C(C)(C)C)CC2)c([N+](=O)[O-])c1 ZINC000747211887 572919204 /nfs/dbraw/zinc/91/92/04/572919204.db2.gz DNAZJUSDTBQHSY-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO Cc1ccc(C[NH2+]C2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000749923263 573059079 /nfs/dbraw/zinc/05/90/79/573059079.db2.gz HWZLLDVTMTWTDR-VXGBXAGGSA-N 1 0 262.353 3.427 20 5 CGBDRO CCO[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000932970941 618113010 /nfs/dbraw/zinc/11/30/10/618113010.db2.gz YTBBXGHRLZOGIO-JSGCOSHPSA-N 1 0 278.352 3.075 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H](c2ccncc2)C2CC2)cs1 ZINC000934688618 618669636 /nfs/dbraw/zinc/66/96/36/618669636.db2.gz RDQSZNCZFVQNFT-CQSZACIVSA-N 1 0 289.360 3.292 20 5 CGBDRO CCC[N@H+](Cn1nc(C)c2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000179546641 618794960 /nfs/dbraw/zinc/79/49/60/618794960.db2.gz KZFCEWJJOLWWIA-UHFFFAOYSA-N 1 0 288.351 3.085 20 5 CGBDRO C[C@H]1C[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C[C@H]1C ZINC000092085336 618836236 /nfs/dbraw/zinc/83/62/36/618836236.db2.gz BYIUULFRXWAVSU-AOOOYVTPSA-N 1 0 268.744 3.336 20 5 CGBDRO C[N@H+](CCNc1ccc([N+](=O)[O-])cc1C(F)F)C1CC1 ZINC000111290988 618936166 /nfs/dbraw/zinc/93/61/66/618936166.db2.gz FTKXNEPITCVQSE-UHFFFAOYSA-N 1 0 285.294 3.039 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000895435288 619826642 /nfs/dbraw/zinc/82/66/42/619826642.db2.gz ZHMTYVVOOMTPIM-PJXYFTJBSA-N 1 0 266.728 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C=CCC2)cc1Cl ZINC000895527291 619842260 /nfs/dbraw/zinc/84/22/60/619842260.db2.gz LUEMGQVSQKUDCH-SNVBAGLBSA-N 1 0 266.728 3.304 20 5 CGBDRO C[C@@H](C[NH2+]C1CC(CF)(CF)C1)c1ccccc1[N+](=O)[O-] ZINC000897461483 620340045 /nfs/dbraw/zinc/34/00/45/620340045.db2.gz QHPKMEAMMKQEFE-NSHDSACASA-N 1 0 298.333 3.376 20 5 CGBDRO C[C@H](CC1CC1)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897465773 620340385 /nfs/dbraw/zinc/34/03/85/620340385.db2.gz HXHFDIDJIBQSDP-NWDGAFQWSA-N 1 0 262.353 3.477 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCCCSC)cc([N+](=O)[O-])c1 ZINC000903098449 621572001 /nfs/dbraw/zinc/57/20/01/621572001.db2.gz PABALPFUQOMEKI-LLVKDONJSA-N 1 0 298.408 3.397 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C2(C3CC3)CC2)cc([N+](=O)[O-])c1 ZINC000903139851 621594726 /nfs/dbraw/zinc/59/47/26/621594726.db2.gz VKXFVOFFEAOKGJ-SNVBAGLBSA-N 1 0 276.336 3.197 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@]1(C)CCCO1 ZINC000903244693 621637053 /nfs/dbraw/zinc/63/70/53/621637053.db2.gz BMMHGDLRPQWNLQ-XJKCOSOUSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ncco1 ZINC000903245863 621637736 /nfs/dbraw/zinc/63/77/36/621637736.db2.gz PJKBVLSIGJJPPH-GHMZBOCLSA-N 1 0 275.308 3.037 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C/C=C\Cl)CCC2 ZINC000903444296 621755305 /nfs/dbraw/zinc/75/53/05/621755305.db2.gz OGETUSNNIWNOJZ-MDVHNNDNSA-N 1 0 266.728 3.314 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C/C=C/Cl)CCC2 ZINC000903444295 621755583 /nfs/dbraw/zinc/75/55/83/621755583.db2.gz OGETUSNNIWNOJZ-DRRGCAIJSA-N 1 0 266.728 3.314 20 5 CGBDRO Cc1ncc(-c2ccc(C[NH+](C)C)s2)cc1[N+](=O)[O-] ZINC000904865467 622013555 /nfs/dbraw/zinc/01/35/55/622013555.db2.gz YCRDCSZNWZEKJS-UHFFFAOYSA-N 1 0 277.349 3.088 20 5 CGBDRO CC[C@@H](CSC)[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000163870024 622806323 /nfs/dbraw/zinc/80/63/23/622806323.db2.gz CBGPZXXMNGSAHV-JTQLQIEISA-N 1 0 288.800 3.479 20 5 CGBDRO C[C@H]([NH2+]C1Cc2ccccc2C1)c1ccccc1[N+](=O)[O-] ZINC000223830114 622866150 /nfs/dbraw/zinc/86/61/50/622866150.db2.gz GRKZAOIEUMGQCM-LBPRGKRZSA-N 1 0 282.343 3.413 20 5 CGBDRO CS[C@@H]1CC[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000230696579 623262621 /nfs/dbraw/zinc/26/26/21/623262621.db2.gz RJRCOHOOOKSUHV-VHSXEESVSA-N 1 0 272.395 3.030 20 5 CGBDRO Cc1ccc(CN(Cn2nccc2[N+](=O)[O-])C(C)C)s1 ZINC000920083910 624446736 /nfs/dbraw/zinc/44/67/36/624446736.db2.gz PHWALEMSDNFWNO-UHFFFAOYSA-N 1 0 294.380 3.029 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCCC3(CCC3)O2)cs1 ZINC000922814519 626048776 /nfs/dbraw/zinc/04/87/76/626048776.db2.gz WTRWCCZOGYKZQN-GFCCVEGCSA-N 1 0 296.392 3.238 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)c1 ZINC000922966976 626109058 /nfs/dbraw/zinc/10/90/58/626109058.db2.gz BVJVBQGTPTXPEW-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1)CC(F)F ZINC000842890697 626268092 /nfs/dbraw/zinc/26/80/92/626268092.db2.gz RQIGNCNELFPGMB-RKDXNWHRSA-N 1 0 287.310 3.119 20 5 CGBDRO COC1CCC([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000839170066 626324684 /nfs/dbraw/zinc/32/46/84/626324684.db2.gz VWJQNXABRVJWDM-UHFFFAOYSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000752091464 626418640 /nfs/dbraw/zinc/41/86/40/626418640.db2.gz IIXPKGFAJYJWRD-VHSXEESVSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H](CC[NH+](C)C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000124762221 634504125 /nfs/dbraw/zinc/50/41/25/634504125.db2.gz MFKTYMWHJOAASN-SECBINFHSA-N 1 0 271.748 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C3CCC3)C2)cc1F ZINC000839679424 626777975 /nfs/dbraw/zinc/77/79/75/626777975.db2.gz GWJJDYNREVQVAH-CYBMUJFWSA-N 1 0 278.327 3.356 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776584708 628220924 /nfs/dbraw/zinc/22/09/24/628220924.db2.gz PDLVPLDOXOQZET-DVOMOZLQSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@@H]1CCCCC[N@@H+]1C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776585575 628221013 /nfs/dbraw/zinc/22/10/13/628221013.db2.gz XBQXAFTXLLFKNO-ZBFHGGJFSA-N 1 0 292.379 3.283 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCC=CO1 ZINC000786818033 628965309 /nfs/dbraw/zinc/96/53/09/628965309.db2.gz FBQVMVJMDACWKM-WQMJKPAKSA-N 1 0 288.347 3.280 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498248 629059388 /nfs/dbraw/zinc/05/93/88/629059388.db2.gz MCNCMVQEDSFJBN-LBPRGKRZSA-N 1 0 285.347 3.070 20 5 CGBDRO C[C@H]([NH2+]CCC1CCCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647800 629070713 /nfs/dbraw/zinc/07/07/13/629070713.db2.gz NCEKELYRYGEKPF-NSHDSACASA-N 1 0 277.368 3.408 20 5 CGBDRO CC(C)C[C@@H](C)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669070 629071366 /nfs/dbraw/zinc/07/13/66/629071366.db2.gz CPAQINUUVBHHRK-GHMZBOCLSA-N 1 0 265.357 3.262 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+](C2CCC2)C2CCC2)cc1 ZINC000795470912 629680345 /nfs/dbraw/zinc/68/03/45/629680345.db2.gz KKFLJHQMTDGXFL-INIZCTEOSA-N 1 0 290.363 3.035 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H](c3ccccn3)C2)cccc1[N+](=O)[O-] ZINC000799192480 630155783 /nfs/dbraw/zinc/15/57/83/630155783.db2.gz FOGZWEVELBJBTG-HNNXBMFYSA-N 1 0 297.358 3.288 20 5 CGBDRO COCC[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CCCC1 ZINC000801511745 630339849 /nfs/dbraw/zinc/33/98/49/630339849.db2.gz HPKAHQCTKUOFIC-UHFFFAOYSA-N 1 0 296.342 3.125 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804523818 630534773 /nfs/dbraw/zinc/53/47/73/630534773.db2.gz BOUSDDPIUBKYQY-LBPRGKRZSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C1(C)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815604281 631804360 /nfs/dbraw/zinc/80/43/60/631804360.db2.gz JOXODRUMUYGHSS-ZJUUUORDSA-N 1 0 263.341 3.016 20 5 CGBDRO CC1(C)CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819253800 632411303 /nfs/dbraw/zinc/41/13/03/632411303.db2.gz JAGYQFZTCCMMEB-DZGCQCFKSA-N 1 0 292.379 3.187 20 5 CGBDRO CCCCCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000844259902 635848447 /nfs/dbraw/zinc/84/84/47/635848447.db2.gz UQNSEKCBJYOYEJ-UHFFFAOYSA-N 1 0 293.367 3.093 20 5 CGBDRO C[C@@H](CCc1cccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000866259351 633048148 /nfs/dbraw/zinc/04/81/48/633048148.db2.gz LRBLLOAMJBVQPZ-AWEZNQCLSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CCCSC1 ZINC000866279479 633062642 /nfs/dbraw/zinc/06/26/42/633062642.db2.gz UZEQNPFRFMOMHK-ZWNOBZJWSA-N 1 0 298.383 3.150 20 5 CGBDRO C[C@@H](CCc1cccnc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000866290067 633067676 /nfs/dbraw/zinc/06/76/76/633067676.db2.gz NQXPVAVKSXMOFE-ZDUSSCGKSA-N 1 0 285.347 3.101 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCCS1 ZINC000866481109 633153174 /nfs/dbraw/zinc/15/31/74/633153174.db2.gz OVQAXDXFWXRFFN-SMDDNHRTSA-N 1 0 292.404 3.457 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2cncs2)cc1[N+](=O)[O-] ZINC000866539807 633182707 /nfs/dbraw/zinc/18/27/07/633182707.db2.gz HCVBMXBBYLYKLS-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO C[C@]1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824766472 633285520 /nfs/dbraw/zinc/28/55/20/633285520.db2.gz VBFSKEMKRTURLM-SECBINFHSA-N 1 0 295.191 3.330 20 5 CGBDRO C[C@]1(C[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(Cl)Cl ZINC000824765562 633285670 /nfs/dbraw/zinc/28/56/70/633285670.db2.gz NLNFTAYCHCDKPB-LLVKDONJSA-N 1 0 289.162 3.268 20 5 CGBDRO Cc1nn(C[N@H+]2CCCC[C@H]2CC(C)C)c(C)c1[N+](=O)[O-] ZINC000122118351 633314213 /nfs/dbraw/zinc/31/42/13/633314213.db2.gz LZMRZCAASPFTFR-AWEZNQCLSA-N 1 0 294.399 3.266 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831348109 633945448 /nfs/dbraw/zinc/94/54/48/633945448.db2.gz SSZWXRLYICOYQD-DZGCQCFKSA-N 1 0 296.342 3.027 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCCS1)c1c(F)cccc1[N+](=O)[O-] ZINC000872040839 633961959 /nfs/dbraw/zinc/96/19/59/633961959.db2.gz CRJVNDBHKPDTII-VHSXEESVSA-N 1 0 284.356 3.280 20 5 CGBDRO C[C@@H]([NH2+]CCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047779 633970434 /nfs/dbraw/zinc/97/04/34/633970434.db2.gz GHSBFEWCMURRSX-SECBINFHSA-N 1 0 252.289 3.185 20 5 CGBDRO C[C@@H]([NH2+]CC1(C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872050084 633973046 /nfs/dbraw/zinc/97/30/46/633973046.db2.gz WSFPWSBVPHJPNH-SECBINFHSA-N 1 0 252.289 3.185 20 5 CGBDRO C[C@H]([NH2+]C1(C2CC2)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872055883 633979344 /nfs/dbraw/zinc/97/93/44/633979344.db2.gz MYCXCPTXYBLKDE-VIFPVBQESA-N 1 0 264.300 3.327 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)[C@@H](C)O ZINC000872076801 634000631 /nfs/dbraw/zinc/00/06/31/634000631.db2.gz SPRIQNAREWVQRN-CWSCBRNRSA-N 1 0 298.408 3.127 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@H](O)C(C)C ZINC000872079605 634002623 /nfs/dbraw/zinc/00/26/23/634002623.db2.gz JMAUKXOGDPCNRW-IFUGULHKSA-N 1 0 298.358 3.180 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000872079653 634002732 /nfs/dbraw/zinc/00/27/32/634002732.db2.gz ZHKZDEWKBUOSGL-FTGAXOIBSA-N 1 0 296.342 3.198 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@H](C)c2c(F)cccc2[N+](=O)[O-])CCC1 ZINC000872080223 634004549 /nfs/dbraw/zinc/00/45/49/634004549.db2.gz OUHIVFDWKUQVJI-GHMZBOCLSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@H]([NH2+][C@@H]1COC2(CCC2)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872084027 634008854 /nfs/dbraw/zinc/00/88/54/634008854.db2.gz CRYBUMDCKBTFML-QWRGUYRKSA-N 1 0 294.326 3.096 20 5 CGBDRO C[C@H]([NH2+]CC1=CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088249 634014546 /nfs/dbraw/zinc/01/45/46/634014546.db2.gz MXAFFQVWQTXFLV-JTQLQIEISA-N 1 0 264.300 3.495 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088227 634014613 /nfs/dbraw/zinc/01/46/13/634014613.db2.gz MCOQKOWQVLGEDO-GHMZBOCLSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCOC1(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088230 634014714 /nfs/dbraw/zinc/01/47/14/634014714.db2.gz MCOQKOWQVLGEDO-WDEREUQCSA-N 1 0 296.342 3.200 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872104791 634025584 /nfs/dbraw/zinc/02/55/84/634025584.db2.gz PHRKCFQAUYOOCX-NSHDSACASA-N 1 0 298.358 3.447 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCOCC1CC1 ZINC000873008686 634231092 /nfs/dbraw/zinc/23/10/92/634231092.db2.gz AIQWAYVVPSMFEN-UHFFFAOYSA-N 1 0 292.379 3.118 20 5 CGBDRO Cc1csc(CC[NH2+]Cc2cccc([N+](=O)[O-])c2C)n1 ZINC000873012006 634231161 /nfs/dbraw/zinc/23/11/61/634231161.db2.gz AIDFOAODRFVBSJ-UHFFFAOYSA-N 1 0 291.376 3.000 20 5 CGBDRO CSC1(C[NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873115730 634249256 /nfs/dbraw/zinc/24/92/56/634249256.db2.gz OLJXERMHRAJJTM-UHFFFAOYSA-N 1 0 280.393 3.197 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CCO1 ZINC000873132177 634253740 /nfs/dbraw/zinc/25/37/40/634253740.db2.gz KHPWKJUAKSBQNJ-ZIAGYGMSSA-N 1 0 292.379 3.259 20 5 CGBDRO Cc1c(C[NH2+]CC(C)(C)c2cccnc2)cccc1[N+](=O)[O-] ZINC000873132163 634253880 /nfs/dbraw/zinc/25/38/80/634253880.db2.gz JYMRWUAAZVBZPC-UHFFFAOYSA-N 1 0 299.374 3.366 20 5 CGBDRO CC(C)OC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCC1 ZINC000873167273 634269202 /nfs/dbraw/zinc/26/92/02/634269202.db2.gz QPYIIFVMXZLATL-UHFFFAOYSA-N 1 0 284.381 3.094 20 5 CGBDRO CC(C)[C@@H]1C[C@H]1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834893904 634270665 /nfs/dbraw/zinc/27/06/65/634270665.db2.gz QQFZWAWVVJDOGH-WXHSDQCUSA-N 1 0 277.368 3.120 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834914548 634286185 /nfs/dbraw/zinc/28/61/85/634286185.db2.gz NMVNISMZHZLSIU-NSHDSACASA-N 1 0 295.383 3.033 20 5 CGBDRO [NH3+][C@@H]1C[C@H]1c1ccc(NCc2ccccc2[N+](=O)[O-])cc1 ZINC000873214604 634287525 /nfs/dbraw/zinc/28/75/25/634287525.db2.gz BDSCGWTYTSQORR-LSDHHAIUSA-N 1 0 283.331 3.022 20 5 CGBDRO CCCCC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876906017 634926028 /nfs/dbraw/zinc/92/60/28/634926028.db2.gz OJWUXWBPBVAIMY-PNESKVBLSA-N 1 0 280.372 3.053 20 5 CGBDRO CCC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877563197 635091973 /nfs/dbraw/zinc/09/19/73/635091973.db2.gz IMYCXPHPLRTOLB-ORHYLEIMSA-N 1 0 294.399 3.299 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(CC(F)F)C1 ZINC000877599359 635107512 /nfs/dbraw/zinc/10/75/12/635107512.db2.gz WZVUCOVBSURIJU-UHFFFAOYSA-N 1 0 284.306 3.299 20 5 CGBDRO O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CCCCCCC2)cc1 ZINC000126719600 635198341 /nfs/dbraw/zinc/19/83/41/635198341.db2.gz RERWYJBAKNGILK-MRXNPFEDSA-N 1 0 292.379 3.331 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000877827563 635227915 /nfs/dbraw/zinc/22/79/15/635227915.db2.gz BNQOSUJYNZCRMD-XUJVJEKNSA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1ccc(C[N@@H+]([C@@H](C)CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000878477402 635522526 /nfs/dbraw/zinc/52/25/26/635522526.db2.gz ZPAWJTNXEJBLHL-ZDUSSCGKSA-N 1 0 292.379 3.029 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000879962178 635889990 /nfs/dbraw/zinc/88/99/90/635889990.db2.gz OASZRTKSADYKIT-CHWSQXEVSA-N 1 0 292.379 3.139 20 5 CGBDRO CCCC[C@H](COC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000130639512 636486341 /nfs/dbraw/zinc/48/63/41/636486341.db2.gz AMGJRDBIHKQNSI-CQSZACIVSA-N 1 0 280.368 3.198 20 5 CGBDRO COC[C@@H](CO)[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000883108245 636543157 /nfs/dbraw/zinc/54/31/57/636543157.db2.gz AOJCGVVAZOQGRF-MRXNPFEDSA-N 1 0 295.382 3.090 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@H]12 ZINC000885954354 637329796 /nfs/dbraw/zinc/32/97/96/637329796.db2.gz VPEKVDFIMUJJFT-YUELXQCFSA-N 1 0 289.379 3.390 20 5 CGBDRO CCC[C@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039677 637381243 /nfs/dbraw/zinc/38/12/43/637381243.db2.gz OEGHHIKSRYNWHM-LBPRGKRZSA-N 1 0 263.341 3.002 20 5 CGBDRO CCC[C@@H](C)[C@@H]1CCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886043888 637383293 /nfs/dbraw/zinc/38/32/93/637383293.db2.gz LYKUCZZVUYGZTC-OCCSQVGLSA-N 1 0 277.368 3.390 20 5 CGBDRO CC(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886129806 637428889 /nfs/dbraw/zinc/42/88/89/637428889.db2.gz ONJXQFRLZMDHKX-KGLIPLIRSA-N 1 0 277.368 3.294 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](c2ccccc2)C1 ZINC000886215884 637462195 /nfs/dbraw/zinc/46/21/95/637462195.db2.gz SLPINFJVTOSAIN-HNNXBMFYSA-N 1 0 297.358 3.369 20 5 CGBDRO Cc1noc(C[N@@H+](C)C2CCCCCCC2)c1[N+](=O)[O-] ZINC000851741049 637488021 /nfs/dbraw/zinc/48/80/21/637488021.db2.gz DPVNDOYTOMJZEW-UHFFFAOYSA-N 1 0 281.356 3.436 20 5 CGBDRO CC(C)([NH3+])CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000925737773 638590564 /nfs/dbraw/zinc/59/05/64/638590564.db2.gz KZZZKPFMVPZCAU-AWEZNQCLSA-N 1 0 291.395 3.034 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCS1 ZINC000927025195 638833346 /nfs/dbraw/zinc/83/33/46/638833346.db2.gz BKYNMLSHUYXMHA-SUNKGSAMSA-N 1 0 292.404 3.456 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000859542071 639159441 /nfs/dbraw/zinc/15/94/41/639159441.db2.gz WUQDFVSASIUWLW-OLZOCXBDSA-N 1 0 296.367 3.204 20 5 CGBDRO C[C@@H]([NH2+]CCCCCF)c1ccc([N+](=O)[O-])cc1 ZINC000932178966 639289737 /nfs/dbraw/zinc/28/97/37/639289737.db2.gz UZISKGXCVWYGMR-LLVKDONJSA-N 1 0 254.305 3.385 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000934623793 639642632 /nfs/dbraw/zinc/64/26/32/639642632.db2.gz QUFGYCAECKPPNE-QMTHXVAHSA-N 1 0 264.300 3.178 20 5 CGBDRO CSCC(C)(C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000934663648 639652635 /nfs/dbraw/zinc/65/26/35/639652635.db2.gz LZETYNWXUXOJOQ-UHFFFAOYSA-N 1 0 268.382 3.134 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H](c2ccncc2)C2CC2)cc1 ZINC000934690822 639657815 /nfs/dbraw/zinc/65/78/15/639657815.db2.gz DLJUBNMAHBSZNN-QGZVFWFLSA-N 1 0 297.358 3.273 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCc1ccco1 ZINC000084439734 640606731 /nfs/dbraw/zinc/60/67/31/640606731.db2.gz NRFUVEXAOPRDQJ-UHFFFAOYSA-N 1 0 280.711 3.174 20 5 CGBDRO CC[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000246256879 640666360 /nfs/dbraw/zinc/66/63/60/640666360.db2.gz KFKIUMCUZCDPJZ-CZUORRHYSA-N 1 0 292.379 3.140 20 5 CGBDRO [NH3+]CCc1cccc(Nc2c(F)ccc([N+](=O)[O-])c2F)c1 ZINC001159674919 806148340 /nfs/dbraw/zinc/14/83/40/806148340.db2.gz NIUCLRATJVWRHM-UHFFFAOYSA-N 1 0 293.273 3.118 20 5 CGBDRO Cc1cnccc1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254532900 806445521 /nfs/dbraw/zinc/44/55/21/806445521.db2.gz SIEIRSPWJYDYMN-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO CCCCC(=O)[C@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540470 806446166 /nfs/dbraw/zinc/44/61/66/806446166.db2.gz UBWBFSFYKZANRF-OLZOCXBDSA-N 1 0 292.379 3.263 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1(c2cccnc2)CC1 ZINC001254544989 806446449 /nfs/dbraw/zinc/44/64/49/806446449.db2.gz ZALGAXSQJNPPRC-ZDUSSCGKSA-N 1 0 297.358 3.200 20 5 CGBDRO CC[C@H](C)[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254552003 806447969 /nfs/dbraw/zinc/44/79/69/806447969.db2.gz HVNMKVOXDFUUGW-RYUDHWBXSA-N 1 0 250.342 3.256 20 5 CGBDRO CC[N@H+](Cc1cccnc1)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562945 806450977 /nfs/dbraw/zinc/45/09/77/806450977.db2.gz SCSUDJRJCKAZSY-AWEZNQCLSA-N 1 0 299.374 3.443 20 5 CGBDRO CC1CCC([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568449 806452544 /nfs/dbraw/zinc/45/25/44/806452544.db2.gz GBJQDXCAKRAFLZ-KWCHVYNWSA-N 1 0 274.364 3.230 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@H](C)C1 ZINC001254570933 806452996 /nfs/dbraw/zinc/45/29/96/806452996.db2.gz QRNOSCAHNCDUAW-GZBFAFLISA-N 1 0 292.379 3.025 20 5 CGBDRO CO[C@@H]1CC[N@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC001254570935 806453306 /nfs/dbraw/zinc/45/33/06/806453306.db2.gz QRNOSCAHNCDUAW-KCQAQPDRSA-N 1 0 292.379 3.025 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)nc1 ZINC001254573951 806454100 /nfs/dbraw/zinc/45/41/00/806454100.db2.gz DWNMUCASGZOTBW-SWLSCSKDSA-N 1 0 297.358 3.116 20 5 CGBDRO Cc1cc(C)cc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254572140 806454833 /nfs/dbraw/zinc/45/48/33/806454833.db2.gz IGLAZXRJWUPXGE-QGZVFWFLSA-N 1 0 296.370 3.469 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@H]1CC13CCCCC3)C2 ZINC001254580624 806455695 /nfs/dbraw/zinc/45/56/95/806455695.db2.gz HJQXFJRTEPMKJK-HOCLYGCPSA-N 1 0 286.375 3.374 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254587087 806455964 /nfs/dbraw/zinc/45/59/64/806455964.db2.gz VCBUXMBDICOPLH-ZIAGYGMSSA-N 1 0 274.364 3.230 20 5 CGBDRO CCCCC[N@H+](C)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601055 806458449 /nfs/dbraw/zinc/45/84/49/806458449.db2.gz XTKIAENVRYKSPI-HNNXBMFYSA-N 1 0 262.353 3.184 20 5 CGBDRO C[N@H+](CC1CC(F)(F)C1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254602717 806458815 /nfs/dbraw/zinc/45/88/15/806458815.db2.gz IRNNMYULQNYFMA-CQSZACIVSA-N 1 0 296.317 3.039 20 5 CGBDRO CC1(C)CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254599492 806459134 /nfs/dbraw/zinc/45/91/34/806459134.db2.gz MFPYQXLUUHWXTG-OAHLLOKOSA-N 1 0 274.364 3.184 20 5 CGBDRO [NH3+][C@@H]1CCC[C@@H](Nc2cc(Cl)ccc2/C=C/[N+](=O)[O-])C1 ZINC001162401259 806577193 /nfs/dbraw/zinc/57/71/93/806577193.db2.gz KSPPTYGKVDKPDV-AMRKSYTLSA-N 1 0 295.770 3.269 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NC[C@@H]2CCC[NH2+]C[C@@H]2C)c1F ZINC001162467688 806592104 /nfs/dbraw/zinc/59/21/04/806592104.db2.gz RTEJBCCPGYSGCX-RYUDHWBXSA-N 1 0 295.358 3.090 20 5 CGBDRO CCC[N@H+](CC)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000037095021 798859445 /nfs/dbraw/zinc/85/94/45/798859445.db2.gz AKGCBZNBDAULGR-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO C[C@H]1CCC[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)C1 ZINC000037562706 798869151 /nfs/dbraw/zinc/86/91/51/798869151.db2.gz FIUIBDNQNORRFI-GXSJLCMTSA-N 1 0 254.355 3.325 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701023462 799883536 /nfs/dbraw/zinc/88/35/36/799883536.db2.gz CTGMERLLDJEAHU-PUXPGTEJSA-N 1 0 298.770 3.150 20 5 CGBDRO CCC[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1C)OCC ZINC000705322607 799948071 /nfs/dbraw/zinc/94/80/71/799948071.db2.gz IQVMFRBVZFSZNZ-CQSZACIVSA-N 1 0 280.368 3.198 20 5 CGBDRO C[C@@H]1CCCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000705458146 799950154 /nfs/dbraw/zinc/95/01/54/799950154.db2.gz NTKXBJJTWMRMQK-LLVKDONJSA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1C[C@H](OC)C1)c1cccc([N+](=O)[O-])c1 ZINC000714701096 800126943 /nfs/dbraw/zinc/12/69/43/800126943.db2.gz RXBWUPNXQBZNOF-KCPJHIHWSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1c(C[NH2+]CC[C@H]2CCCS2)cccc1[N+](=O)[O-] ZINC000715781908 800146749 /nfs/dbraw/zinc/14/67/49/800146749.db2.gz KDEKKLUWHBZLEH-CYBMUJFWSA-N 1 0 280.393 3.279 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@@H]2[C@H]2C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000716662681 800178918 /nfs/dbraw/zinc/17/89/18/800178918.db2.gz CGGKPTKAEOYFLV-HJPIBITLSA-N 1 0 274.364 3.285 20 5 CGBDRO CSCC1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)CC1 ZINC000719313760 800237026 /nfs/dbraw/zinc/23/70/26/800237026.db2.gz BMNLHFBDAJINLM-UHFFFAOYSA-N 1 0 298.383 3.309 20 5 CGBDRO CC1(C[NH2+]Cc2ccccc2[N+](=O)[O-])CC(F)(F)C1 ZINC000720898553 800271143 /nfs/dbraw/zinc/27/11/43/800271143.db2.gz BAFXNUBSWCPWTQ-UHFFFAOYSA-N 1 0 270.279 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](c2ccccn2)C2CC2)cc1 ZINC000922585673 800619540 /nfs/dbraw/zinc/61/95/40/800619540.db2.gz NCRUUZRCVOCHRN-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CCCC(F)F)cc([N+](=O)[O-])c1 ZINC001120365972 802742621 /nfs/dbraw/zinc/74/26/21/802742621.db2.gz RFICUHPHWAWXFR-VIFPVBQESA-N 1 0 288.294 3.299 20 5 CGBDRO CN(C)c1cc[nH+]cc1Nc1ccc([N+](=O)[O-])cc1Cl ZINC001248594687 804958692 /nfs/dbraw/zinc/95/86/92/804958692.db2.gz PPCJRPVJIXAJFV-UHFFFAOYSA-N 1 0 292.726 3.453 20 5 CGBDRO CN(C)c1cc(Nc2ccc([N+](=O)[O-])cc2Cl)cc[nH+]1 ZINC001248597895 804959655 /nfs/dbraw/zinc/95/96/55/804959655.db2.gz CSKQVDYXXYUETB-UHFFFAOYSA-N 1 0 292.726 3.453 20 5 CGBDRO CC(C)[NH+]1CC(Nc2cc3cccnc3c3ncccc23)C1 ZINC001168313819 807380642 /nfs/dbraw/zinc/38/06/42/807380642.db2.gz FDONQWGTODJQEE-UHFFFAOYSA-N 1 0 292.386 3.288 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C)CC(C)(C)C1 ZINC001168424940 807410284 /nfs/dbraw/zinc/41/02/84/807410284.db2.gz YNESSBWZWCUDNB-GFCCVEGCSA-N 1 0 292.379 3.471 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cccc3ccccc32)C1 ZINC001168956845 807541836 /nfs/dbraw/zinc/54/18/36/807541836.db2.gz GBTXPTFAQXLZOM-BBRMVZONSA-N 1 0 284.359 3.375 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]CCCc2ccc(Cl)cc2)C1 ZINC001168967383 807542475 /nfs/dbraw/zinc/54/24/75/807542475.db2.gz PLJLXZWFOPCFDY-DZGCQCFKSA-N 1 0 296.798 3.308 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001168968196 807543830 /nfs/dbraw/zinc/54/38/30/807543830.db2.gz XITQOMHCBZXGIB-WFASDCNBSA-N 1 0 274.364 3.099 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC001168978318 807545910 /nfs/dbraw/zinc/54/59/10/807545910.db2.gz RDAKSOKSONHFDZ-HIFRSBDPSA-N 1 0 296.798 3.308 20 5 CGBDRO CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccn1 ZINC001168985365 807546618 /nfs/dbraw/zinc/54/66/18/807546618.db2.gz DPNHDDPQTDYMMI-FMKPAKJESA-N 1 0 291.395 3.204 20 5 CGBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990851 807547883 /nfs/dbraw/zinc/54/78/83/807547883.db2.gz FAPTVJXXQNCNSD-OUCADQQQSA-N 1 0 280.343 3.230 20 5 CGBDRO Cc1ccc(F)cc1[C@H](C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990852 807548081 /nfs/dbraw/zinc/54/80/81/807548081.db2.gz FAPTVJXXQNCNSD-SCRDCRAPSA-N 1 0 280.343 3.230 20 5 CGBDRO CC(C)C1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168990255 807548259 /nfs/dbraw/zinc/54/82/59/807548259.db2.gz ZCVGBLYVFDDFKL-PPWQZUPISA-N 1 0 268.401 3.236 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(OC)cc1 ZINC001168990511 807548344 /nfs/dbraw/zinc/54/83/44/807548344.db2.gz ZUKAHINJEHXIOY-IVMMDQJWSA-N 1 0 292.379 3.181 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1F ZINC001169006542 807550168 /nfs/dbraw/zinc/55/01/68/807550168.db2.gz YRZXNOHJPBUASU-OUCADQQQSA-N 1 0 280.343 3.230 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)CCC2 ZINC001169002216 807550280 /nfs/dbraw/zinc/55/02/80/807550280.db2.gz JHXTZJXOLBAHAX-UKPHBRMFSA-N 1 0 288.391 3.407 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169005442 807550370 /nfs/dbraw/zinc/55/03/70/807550370.db2.gz UKXMQOFILXHPKE-YUELXQCFSA-N 1 0 268.401 3.380 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC(c3ccccc3)CC2)C1 ZINC001169023426 807554458 /nfs/dbraw/zinc/55/44/58/807554458.db2.gz TXSSCWKGZLBNKP-WMLDXEAASA-N 1 0 288.391 3.311 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCc3cc(Cl)ccc3C2)C1 ZINC001169036404 807556336 /nfs/dbraw/zinc/55/63/36/807556336.db2.gz OBXZNSBUYPYZKQ-NHYWBVRUSA-N 1 0 294.782 3.144 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2CCCC2(C)C)c([N+](=O)[O-])c1 ZINC001170327685 807827298 /nfs/dbraw/zinc/82/72/98/807827298.db2.gz HBVXZNITZFSWOT-GFCCVEGCSA-N 1 0 292.379 3.409 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1[C@H](C)CCC1(C)C ZINC001171077325 807978308 /nfs/dbraw/zinc/97/83/08/807978308.db2.gz DDALPVCLZIXKBT-LLVKDONJSA-N 1 0 278.352 3.366 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccncc1)CC2 ZINC001172897883 808474300 /nfs/dbraw/zinc/47/43/00/808474300.db2.gz FMHXBKNXLYAHBX-MRXNPFEDSA-N 1 0 297.358 3.027 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]Cc1ccco1)CC2 ZINC001172897866 808474749 /nfs/dbraw/zinc/47/47/49/808474749.db2.gz FEIAVVSBXOTPCQ-CQSZACIVSA-N 1 0 286.331 3.225 20 5 CGBDRO CC1CC(C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172896254 808474894 /nfs/dbraw/zinc/47/48/94/808474894.db2.gz NNRXJPKKDUDBRW-SEEARECTSA-N 1 0 288.391 3.478 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909461 808476096 /nfs/dbraw/zinc/47/60/96/808476096.db2.gz RYPVNIHISGTXJX-IUODEOHRSA-N 1 0 274.364 3.327 20 5 CGBDRO C[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172906875 808476396 /nfs/dbraw/zinc/47/63/96/808476396.db2.gz ZDJQUYYCRAJDQF-IUODEOHRSA-N 1 0 274.364 3.184 20 5 CGBDRO [NH3+]CCc1cccn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172903314 808476607 /nfs/dbraw/zinc/47/66/07/808476607.db2.gz PZHWGKPAXALION-MRXNPFEDSA-N 1 0 299.374 3.018 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1nccs1 ZINC001173215830 808538457 /nfs/dbraw/zinc/53/84/57/808538457.db2.gz FJKMXQSDYGSFIU-WDEREUQCSA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCSCC1 ZINC001173215695 808538629 /nfs/dbraw/zinc/53/86/29/808538629.db2.gz YQCWAINHYHMZCS-NSHDSACASA-N 1 0 280.393 3.011 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cscn1 ZINC001173213827 808539026 /nfs/dbraw/zinc/53/90/26/808539026.db2.gz KZQGENSSTGEDAE-QWRGUYRKSA-N 1 0 291.376 3.333 20 5 CGBDRO Cc1cnc(C[NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)s1 ZINC001173220830 808539656 /nfs/dbraw/zinc/53/96/56/808539656.db2.gz HDCOUROXOGGXDB-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(CC[NH3+])c1 ZINC001173222833 808539833 /nfs/dbraw/zinc/53/98/33/808539833.db2.gz ZIEDESKEMXJJNM-ZDUSSCGKSA-N 1 0 299.374 3.139 20 5 CGBDRO CCCCOCCC[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173218519 808540481 /nfs/dbraw/zinc/54/04/81/808540481.db2.gz PRXJHWZJWWNHFX-CQSZACIVSA-N 1 0 294.395 3.322 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001173228862 808541087 /nfs/dbraw/zinc/54/10/87/808541087.db2.gz KZFPVTPYVRQSMX-OEYIWLLWSA-N 1 0 274.364 3.304 20 5 CGBDRO CC(C)CCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001190332646 810619836 /nfs/dbraw/zinc/61/98/36/810619836.db2.gz WMCCZJMWGOLYDQ-UHFFFAOYSA-N 1 0 291.395 3.153 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1[C@@H](C)CCC1(C)C ZINC001195074438 811194118 /nfs/dbraw/zinc/19/41/18/811194118.db2.gz JJESYBRWRYNFJU-NSHDSACASA-N 1 0 278.352 3.366 20 5 CGBDRO Cc1cccc2[nH+]cc(Nc3cccc([N+](=O)[O-])c3)n21 ZINC001204449622 812642125 /nfs/dbraw/zinc/64/21/25/812642125.db2.gz BGKVXDGRHZDTPA-UHFFFAOYSA-N 1 0 268.276 3.295 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccnn1-c1cc[nH+]cc1 ZINC001211288318 814871634 /nfs/dbraw/zinc/87/16/34/814871634.db2.gz PNCMVXRGCWFAJB-UHFFFAOYSA-N 1 0 295.302 3.228 20 5 CGBDRO C[C@H](OCCCC1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001217887293 815989278 /nfs/dbraw/zinc/98/92/78/815989278.db2.gz GOPDZAGWJRRRJD-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C1 ZINC001217955675 816016376 /nfs/dbraw/zinc/01/63/76/816016376.db2.gz HDWXCOIJXPUHAI-KNVOCYPGSA-N 1 0 291.134 3.031 20 5 CGBDRO O=[N+]([O-])c1ccc2ccccc2c1O[C@H]1CCC[NH2+]CC1 ZINC001217993946 816040099 /nfs/dbraw/zinc/04/00/99/816040099.db2.gz DNGYPGBPKMZJJE-ZDUSSCGKSA-N 1 0 286.331 3.269 20 5 CGBDRO Cc1cc(O[C@@H]2CCC[NH2+]CC2)c(C)c(C)c1[N+](=O)[O-] ZINC001217999579 816044002 /nfs/dbraw/zinc/04/40/02/816044002.db2.gz JUTWRAJMCOCSNG-CYBMUJFWSA-N 1 0 278.352 3.041 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001218028605 816063885 /nfs/dbraw/zinc/06/38/85/816063885.db2.gz HCKSGZSHGIVIES-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc(-c3ccccc3)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218037187 816068807 /nfs/dbraw/zinc/06/88/07/816068807.db2.gz LDWHYTBTVHMWBE-IUODEOHRSA-N 1 0 298.342 3.391 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C[NH2+]1 ZINC001218039662 816069570 /nfs/dbraw/zinc/06/95/70/816069570.db2.gz RVLYVDFXKOPGDT-RNFRBKRXSA-N 1 0 291.134 3.031 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218043247 816070352 /nfs/dbraw/zinc/07/03/52/816070352.db2.gz GTAMFBBZGQQSTC-IAQYHMDHSA-N 1 0 292.379 3.269 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC23CC[NH2+]CC3)ccc1Cl ZINC001218084691 816089493 /nfs/dbraw/zinc/08/94/93/816089493.db2.gz IONVBDPCUXCBHE-CYBMUJFWSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@]23CC[NH2+]C3)cc1Cl ZINC001218095380 816095892 /nfs/dbraw/zinc/09/58/92/816095892.db2.gz PKFSJZOKKSEZSF-ZIAGYGMSSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@H]1CCC[C@]12CC[NH2+]C2 ZINC001218096608 816096435 /nfs/dbraw/zinc/09/64/35/816096435.db2.gz UJKBRSNPXZTHEB-GXTWGEPZSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCC[C@]12CC[NH2+]C2 ZINC001218099992 816099411 /nfs/dbraw/zinc/09/94/11/816099411.db2.gz ZJEMEFDELNOZMX-ZIAGYGMSSA-N 1 0 296.754 3.159 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])cc1Cl ZINC001218122042 816107364 /nfs/dbraw/zinc/10/73/64/816107364.db2.gz ZGRQHCXZRAWUHM-KBPBESRZSA-N 1 0 296.754 3.078 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@@]23CC[NH2+]C3)c(C)c(C)c1[N+](=O)[O-] ZINC001218124316 816108683 /nfs/dbraw/zinc/10/86/83/816108683.db2.gz RALRAHPUANDQQV-HOCLYGCPSA-N 1 0 290.363 3.041 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC001218145728 816114292 /nfs/dbraw/zinc/11/42/92/816114292.db2.gz CCXAQEBZZZATBX-SUZMYJTESA-N 1 0 296.754 3.015 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2cccc(O[C@H]3CC[NH2+]C3)c2)c1 ZINC001218181972 816118389 /nfs/dbraw/zinc/11/83/89/816118389.db2.gz JEOMPJZIBFXAEK-INIZCTEOSA-N 1 0 284.315 3.003 20 5 CGBDRO Cc1cc(OC2CC3(C2)CCC[NH2+]C3)cc(C)c1[N+](=O)[O-] ZINC001218256243 816143499 /nfs/dbraw/zinc/14/34/99/816143499.db2.gz ZJCWLSVAZYKDQC-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@H](Oc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218344303 816172912 /nfs/dbraw/zinc/17/29/12/816172912.db2.gz UVVIBOCYQIUQCX-NSHDSACASA-N 1 0 284.315 3.338 20 5 CGBDRO CC1(C)C[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218471665 816230077 /nfs/dbraw/zinc/23/00/77/816230077.db2.gz ABKZKRPWIZKSNC-JTQLQIEISA-N 1 0 284.743 3.158 20 5 CGBDRO C[C@H](O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc([N+](=O)[O-])cc1 ZINC001224020679 816721545 /nfs/dbraw/zinc/72/15/45/816721545.db2.gz ZNUHTOIEKQJYHW-KSYCFECVSA-N 1 0 290.363 3.298 20 5 CGBDRO CC(C)[C@H](OCCC[N+](C)(C)C)c1ccccc1 ZINC001224624111 816835152 /nfs/dbraw/zinc/83/51/52/816835152.db2.gz UVUDSMHPSPITJO-INIZCTEOSA-N 1 0 250.406 3.497 20 5 CGBDRO CCCCC(=O)[C@H](CCCC)OCC[N+](C)(C)C ZINC001224775797 816879109 /nfs/dbraw/zinc/87/91/09/816879109.db2.gz PJZXRMMGSNOYPY-HNNXBMFYSA-N 1 0 258.426 3.027 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(F)c(Br)c1 ZINC001225508391 817078549 /nfs/dbraw/zinc/07/85/49/817078549.db2.gz PLHRMMWTWKSEON-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)c1 ZINC001225681199 817139346 /nfs/dbraw/zinc/13/93/46/817139346.db2.gz OEZDORGNICXESR-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C1 ZINC001226445866 817359876 /nfs/dbraw/zinc/35/98/76/817359876.db2.gz GWZAHBHSUJSGPI-CYBMUJFWSA-N 1 0 292.379 3.365 20 5 CGBDRO Cc1cc(OC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001226842003 817481820 /nfs/dbraw/zinc/48/18/20/817481820.db2.gz QSFUNCFVYWEYIT-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001226990879 817526875 /nfs/dbraw/zinc/52/68/75/817526875.db2.gz YKBWFPMOXRWQMX-LLVKDONJSA-N 1 0 298.770 3.420 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001226993415 817528454 /nfs/dbraw/zinc/52/84/54/817528454.db2.gz WGJBZJSDKCBKQB-CQSZACIVSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1OCC(F)(F)F ZINC001228268489 817856807 /nfs/dbraw/zinc/85/68/07/817856807.db2.gz ULRPBTDUUJTBCC-NSHDSACASA-N 1 0 292.321 3.101 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228759240 818002417 /nfs/dbraw/zinc/00/24/17/818002417.db2.gz YEPATULBBDCPJY-LLVKDONJSA-N 1 0 284.743 3.111 20 5 CGBDRO Cc1c(C)c(O[C@H](C)C[N+](C)(C)C)c(C)c(C)c1O ZINC001231338979 818078532 /nfs/dbraw/zinc/07/85/32/818078532.db2.gz DYXXZBMEHJVAEI-SNVBAGLBSA-O 1 0 266.405 3.099 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cncc(-c2ccccc2)c1 ZINC001234269377 818821344 /nfs/dbraw/zinc/82/13/44/818821344.db2.gz CSLUUZICPXCKAR-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cnc(Cl)c(C(F)(F)F)c1 ZINC001234964684 818968748 /nfs/dbraw/zinc/96/87/48/818968748.db2.gz QKSZAZJKUNTWOF-MRVPVSSYSA-N 1 0 297.728 3.227 20 5 CGBDRO CS[C@@H]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001330089603 935268002 /nfs/dbraw/zinc/26/80/02/935268002.db2.gz RUXVKFSMHNRBDA-UONOGXRCSA-N 1 0 280.393 3.311 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCCC(F)F)c1 ZINC001355301478 937135195 /nfs/dbraw/zinc/13/51/95/937135195.db2.gz IRVFCCUTEWZCPV-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO CC(C)(C)[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001459806696 937501118 /nfs/dbraw/zinc/50/11/18/937501118.db2.gz LHTGQUCCMYLXIH-ZDUSSCGKSA-N 1 0 292.379 3.342 20 5 CGBDRO C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001461161597 937567092 /nfs/dbraw/zinc/56/70/92/937567092.db2.gz UMKFYJWHYQWMPI-IUODEOHRSA-N 1 0 292.379 3.388 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(Cl)c(Cl)cc1O ZINC001229552837 932170292 /nfs/dbraw/zinc/17/02/92/932170292.db2.gz LNFNKMOHNYFOLH-MRVPVSSYSA-O 1 0 279.187 3.173 20 5 CGBDRO COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCCC1 ZINC001461584874 937587235 /nfs/dbraw/zinc/58/72/35/937587235.db2.gz WFUKANYYXBYQOW-UHFFFAOYSA-N 1 0 292.379 3.200 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(Cl)c([N+](=O)[O-])c1)C2 ZINC001229962120 932511111 /nfs/dbraw/zinc/51/11/11/932511111.db2.gz ORPPGDXESXIOSB-IAZYJMLFSA-N 1 0 296.754 3.252 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(C)c(Cl)cc2[N+](=O)[O-])C1 ZINC001229975201 932514889 /nfs/dbraw/zinc/51/48/89/932514889.db2.gz MKBDQDYKAIKHRQ-NSHDSACASA-N 1 0 298.770 3.420 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230914270 932641801 /nfs/dbraw/zinc/64/18/01/932641801.db2.gz GOVCYPVERFDPDT-JTQLQIEISA-N 1 0 284.743 3.111 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cccc(Cl)c1[N+](=O)[O-] ZINC001230919015 932642968 /nfs/dbraw/zinc/64/29/68/932642968.db2.gz SMXMQSRHMTUWBT-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO C[N@@H+]1CC[C@@H](Oc2cccc(-c3cccc([N+](=O)[O-])c3)c2)C1 ZINC001230938591 932645941 /nfs/dbraw/zinc/64/59/41/932645941.db2.gz JAIWKNYRNIURDQ-QGZVFWFLSA-N 1 0 298.342 3.345 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC001307845799 933007880 /nfs/dbraw/zinc/00/78/80/933007880.db2.gz UIELVFBVRLXRSM-ZDUSSCGKSA-N 1 0 290.363 3.225 20 5 CGBDRO COc1cc(C[NH2+]C2CCCCCC2)c([N+](=O)[O-])cc1O ZINC001308187562 933069136 /nfs/dbraw/zinc/06/91/36/933069136.db2.gz RQDMJOSQHVIOAR-UHFFFAOYSA-N 1 0 294.351 3.121 20 5 CGBDRO CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC001308958740 933213335 /nfs/dbraw/zinc/21/33/35/933213335.db2.gz MAAVGVPSWHFPEW-SCRDCRAPSA-N 1 0 262.353 3.477 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC001318387482 933719647 /nfs/dbraw/zinc/71/96/47/933719647.db2.gz ZJHJRKVEYCYLCK-AAEUAGOBSA-N 1 0 281.331 3.019 20 5 CGBDRO CC(C)c1ccc([C@@H]([NH2+]CC[N+](=O)[O-])C(C)C)cc1 ZINC001473337370 937802596 /nfs/dbraw/zinc/80/25/96/937802596.db2.gz GZTLHICSKBURDU-HNNXBMFYSA-N 1 0 264.369 3.373 20 5 CGBDRO CC[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1C ZINC001473402602 937804905 /nfs/dbraw/zinc/80/49/05/937804905.db2.gz LMBLDNKRLOCEAR-STQMWFEESA-N 1 0 278.352 3.094 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[C@@H]2CCC[C@@H]21 ZINC001474392498 937856977 /nfs/dbraw/zinc/85/69/77/937856977.db2.gz UFSPEKWTTNAHFX-CQDKDKBSSA-N 1 0 290.363 3.272 20 5 CGBDRO Cc1ccc(NC(=O)c2ccc([C@H](C)[NH3+])cc2)cc1[N+](=O)[O-] ZINC001579722277 962662828 /nfs/dbraw/zinc/66/28/28/962662828.db2.gz CBQQMNKNBFITSD-NSHDSACASA-N 1 0 299.330 3.175 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C3CC3)CC2)c(F)c1 ZINC000590008136 346821985 /nfs/dbraw/zinc/82/19/85/346821985.db2.gz GGYYQUUMKZYWDC-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO CC[N@H+](CCSC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592197350 346971293 /nfs/dbraw/zinc/97/12/93/346971293.db2.gz AWWIQPLLCQYNNR-LLVKDONJSA-N 1 0 268.382 3.341 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2CCC(F)CC2)c1 ZINC000592377101 346980345 /nfs/dbraw/zinc/98/03/45/346980345.db2.gz JQQCFSXTLFJMBG-UHFFFAOYSA-N 1 0 266.316 3.213 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000592392177 346982284 /nfs/dbraw/zinc/98/22/84/346982284.db2.gz DCBPPFRQIVKZPT-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO C[NH+](C)CC1CCC(Nc2ccccc2[N+](=O)[O-])CC1 ZINC000128138675 187353970 /nfs/dbraw/zinc/35/39/70/187353970.db2.gz HFZLSSPSKWTCBM-UHFFFAOYSA-N 1 0 277.368 3.127 20 5 CGBDRO Cc1ccc(C[NH+]2CCC(CF)CC2)cc1[N+](=O)[O-] ZINC000295083706 199336828 /nfs/dbraw/zinc/33/68/28/199336828.db2.gz QQPHKOLJNDZGJE-UHFFFAOYSA-N 1 0 266.316 3.085 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]C3(C4CCC4)CC3)nc2c1 ZINC000593081716 347036796 /nfs/dbraw/zinc/03/67/96/347036796.db2.gz QBYJWFNXEPZXTG-UHFFFAOYSA-N 1 0 287.319 3.158 20 5 CGBDRO C[NH2+]Cc1cccc(NCc2ccc([N+](=O)[O-])cc2C)c1 ZINC000414860575 530009653 /nfs/dbraw/zinc/00/96/53/530009653.db2.gz DCINRUWHRJAPMM-UHFFFAOYSA-N 1 0 285.347 3.235 20 5 CGBDRO C[C@H]([NH3+])c1ccc(OCCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037697595 344952721 /nfs/dbraw/zinc/95/27/21/344952721.db2.gz LOVQBCSYMLMJEV-LBPRGKRZSA-N 1 0 286.331 3.236 20 5 CGBDRO C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000044370296 345009137 /nfs/dbraw/zinc/00/91/37/345009137.db2.gz XXAWABDSHXCQTK-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C(C)(C)O ZINC000295099984 199345074 /nfs/dbraw/zinc/34/50/74/199345074.db2.gz VXTGEOWUFMYIOV-WFASDCNBSA-N 1 0 294.395 3.055 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000059371116 345207258 /nfs/dbraw/zinc/20/72/58/345207258.db2.gz FFOLHCAKWCXDPM-CQSZACIVSA-N 1 0 262.353 3.402 20 5 CGBDRO CC[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000065534141 345273989 /nfs/dbraw/zinc/27/39/89/345273989.db2.gz WVBNEAQWXXMANF-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO Cc1cc(NCCC[NH+](C(C)C)C(C)C)ncc1[N+](=O)[O-] ZINC000074773216 345481365 /nfs/dbraw/zinc/48/13/65/345481365.db2.gz WSJRTBZGCNFTPK-UHFFFAOYSA-N 1 0 294.399 3.219 20 5 CGBDRO CCC[N@@H+]1CC[C@H](CNc2ccc([N+](=O)[O-])cc2C)C1 ZINC000091457333 345815271 /nfs/dbraw/zinc/81/52/71/345815271.db2.gz MJVRBQWCVPHOBN-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CCC[N@H+](C)C[C@H]1CCN(c2cc(C)ccc2[N+](=O)[O-])C1 ZINC000088726411 345764693 /nfs/dbraw/zinc/76/46/93/345764693.db2.gz NEYFOFGUFVEWMC-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO Cc1ncc([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)s1 ZINC000089513494 345770301 /nfs/dbraw/zinc/77/03/01/345770301.db2.gz RTXQAGWJSADRBE-VIFPVBQESA-N 1 0 277.349 3.211 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2cccc([N+](=O)[O-])c2)o1 ZINC000090909844 345796924 /nfs/dbraw/zinc/79/69/24/345796924.db2.gz ZEFVVMGRSFQKCY-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000090909918 345796966 /nfs/dbraw/zinc/79/69/66/345796966.db2.gz RWSBPBKRKXFIFG-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000091097163 345803985 /nfs/dbraw/zinc/80/39/85/345803985.db2.gz NMGNNCHMYYETPB-JTQLQIEISA-N 1 0 274.411 3.230 20 5 CGBDRO CC[NH+](CC)C[C@H]1CCN(c2ccc([N+](=O)[O-])c(C)c2)C1 ZINC000092658507 345850167 /nfs/dbraw/zinc/85/01/67/345850167.db2.gz GFEKKJZRGJSYGT-CQSZACIVSA-N 1 0 291.395 3.071 20 5 CGBDRO Cc1noc(C)c1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000092332182 345836138 /nfs/dbraw/zinc/83/61/38/345836138.db2.gz HUPYARUNYFUGNP-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])Cc1ccoc1 ZINC000102407289 345916061 /nfs/dbraw/zinc/91/60/61/345916061.db2.gz UYGYAVUKYOBHCX-UHFFFAOYSA-N 1 0 290.319 3.089 20 5 CGBDRO C[C@H]([NH2+][C@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173362447 232281416 /nfs/dbraw/zinc/28/14/16/232281416.db2.gz PCLKEPMSOSYQGC-SWLSCSKDSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000112375568 345954413 /nfs/dbraw/zinc/95/44/13/345954413.db2.gz QUFHWNIQBXWQJL-LLVKDONJSA-N 1 0 250.342 3.427 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CC[C@H](CO)CC2)cccc1[N+](=O)[O-] ZINC000121399788 346001976 /nfs/dbraw/zinc/00/19/76/346001976.db2.gz OODWEHAKIGDUEF-MCIONIFRSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)OC1CCC([NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000130303240 346056193 /nfs/dbraw/zinc/05/61/93/346056193.db2.gz JYKJWQJLUQZFJJ-UHFFFAOYSA-N 1 0 298.408 3.482 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000134392205 346081587 /nfs/dbraw/zinc/08/15/87/346081587.db2.gz SWPRHAINPNIPMH-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000593674094 347102792 /nfs/dbraw/zinc/10/27/92/347102792.db2.gz NODKKGUXFMUTRD-KKTNHOPESA-N 1 0 290.363 3.109 20 5 CGBDRO C[N@H+](CCCOC(C)(C)C)CCc1ccccc1[N+](=O)[O-] ZINC000586773208 346734216 /nfs/dbraw/zinc/73/42/16/346734216.db2.gz PDIUMZJDDFHNFL-UHFFFAOYSA-N 1 0 294.395 3.274 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2CC3(CCC3)C2)c(F)c1 ZINC000593687125 347103816 /nfs/dbraw/zinc/10/38/16/347103816.db2.gz CMMABPKZHHBDQN-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO CCC[C@H](C)[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000593715054 347106604 /nfs/dbraw/zinc/10/66/04/347106604.db2.gz JWYPSGAMWQZFHV-CORIIIEPSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)c1 ZINC000594508580 347182240 /nfs/dbraw/zinc/18/22/40/347182240.db2.gz DKHRIUCNTDNCTQ-CVEARBPZSA-N 1 0 290.363 3.032 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000594992909 347250811 /nfs/dbraw/zinc/25/08/11/347250811.db2.gz LBUSJPIVYPPTQT-HNNXBMFYSA-N 1 0 262.353 3.427 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594733100 347215142 /nfs/dbraw/zinc/21/51/42/347215142.db2.gz XNZUTLLSCBSUEW-JOYOIKCWSA-N 1 0 270.279 3.291 20 5 CGBDRO CC[C@H](COCC1CC1)[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000594957469 347240743 /nfs/dbraw/zinc/24/07/43/347240743.db2.gz RPZCBZBTYNCQPR-CYBMUJFWSA-N 1 0 296.342 3.029 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000594969138 347245776 /nfs/dbraw/zinc/24/57/76/347245776.db2.gz MSYVQXGEEVDPIR-GSOOHQETSA-N 1 0 290.363 3.155 20 5 CGBDRO CCSC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000594986593 347249679 /nfs/dbraw/zinc/24/96/79/347249679.db2.gz HXOZFIIGTTTWEH-UHFFFAOYSA-N 1 0 272.395 3.032 20 5 CGBDRO CCSC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000594986764 347249700 /nfs/dbraw/zinc/24/97/00/347249700.db2.gz JCYASSNQNDAXRU-ALCCZGGFSA-N 1 0 292.404 3.483 20 5 CGBDRO C[C@H](CSCCF)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595009716 347255778 /nfs/dbraw/zinc/25/57/78/347255778.db2.gz VLJSDHJZMHJFJT-GHMZBOCLSA-N 1 0 286.372 3.337 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C(F)F ZINC000595015978 347258011 /nfs/dbraw/zinc/25/80/11/347258011.db2.gz WSLRTYFJYMUAOD-VIFPVBQESA-N 1 0 272.295 3.364 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC(C)C1 ZINC000595027503 347261755 /nfs/dbraw/zinc/26/17/55/347261755.db2.gz OTSBGEWXIHUMCW-HSOILSAZSA-N 1 0 264.325 3.053 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCF ZINC000595038696 347265716 /nfs/dbraw/zinc/26/57/16/347265716.db2.gz NXQGDEQLRBHELE-SNVBAGLBSA-N 1 0 270.304 3.004 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC=C(C)C ZINC000595040932 347266461 /nfs/dbraw/zinc/26/64/61/347266461.db2.gz NMQUKKKNLLBLNR-NSHDSACASA-N 1 0 264.325 3.220 20 5 CGBDRO CCC1([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595042742 347267254 /nfs/dbraw/zinc/26/72/54/347267254.db2.gz URIVHNZTIWFRER-SNVBAGLBSA-N 1 0 264.325 3.197 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000595054329 347270772 /nfs/dbraw/zinc/27/07/72/347270772.db2.gz ZYIGIVNIHXGBTE-GMXABZIVSA-N 1 0 290.363 3.300 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CO)C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000595056926 347272431 /nfs/dbraw/zinc/27/24/31/347272431.db2.gz SSYOPRAKZWENGL-HOTGVXAUSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCc1ccoc1 ZINC000595084017 347279971 /nfs/dbraw/zinc/27/99/71/347279971.db2.gz IBCATHHPPBAFJS-GFCCVEGCSA-N 1 0 274.320 3.390 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1ccccc1[N+](=O)[O-] ZINC000595423111 347300883 /nfs/dbraw/zinc/30/08/83/347300883.db2.gz MDGMBNPYRLCIPI-FVCCEPFGSA-N 1 0 260.337 3.292 20 5 CGBDRO CC[C@H](C)[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000595593647 347322887 /nfs/dbraw/zinc/32/28/87/347322887.db2.gz RYBDTUAFKQZAOO-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000595747317 347349389 /nfs/dbraw/zinc/34/93/89/347349389.db2.gz LLXWRYLRDZYWDS-CYBMUJFWSA-N 1 0 290.363 3.243 20 5 CGBDRO CCC1(CC)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595753348 347350559 /nfs/dbraw/zinc/35/05/59/347350559.db2.gz UGOOZPHICGYCMK-UHFFFAOYSA-N 1 0 281.356 3.293 20 5 CGBDRO CCS[C@@H]1CCCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595446058 347304477 /nfs/dbraw/zinc/30/44/77/347304477.db2.gz BJQVKXMNQHJIHX-ZYHUDNBSSA-N 1 0 299.396 3.045 20 5 CGBDRO CCC[C@H]1CCCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595441286 347304589 /nfs/dbraw/zinc/30/45/89/347304589.db2.gz WLJNTKIQDFPCGH-NWDGAFQWSA-N 1 0 281.356 3.340 20 5 CGBDRO CC[N@H+](Cc1onc(C)c1[N+](=O)[O-])[C@@H]1CCCC[C@@H]1C ZINC000595453589 347306036 /nfs/dbraw/zinc/30/60/36/347306036.db2.gz QGMINPRBUIPNDT-CMPLNLGQSA-N 1 0 281.356 3.292 20 5 CGBDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595462537 347307791 /nfs/dbraw/zinc/30/77/91/347307791.db2.gz UXYMGRRCHOIIFT-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000595522112 347315138 /nfs/dbraw/zinc/31/51/38/347315138.db2.gz ILWWRDWDLOJWOC-JFGNBEQYSA-N 1 0 281.356 3.196 20 5 CGBDRO Cc1cc(NC2CC[NH+](C3CCC3)CC2)c([N+](=O)[O-])s1 ZINC000596259415 347406307 /nfs/dbraw/zinc/40/63/07/347406307.db2.gz ZCGAERHAWNOBCQ-UHFFFAOYSA-N 1 0 295.408 3.394 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3ccccc3)C2)cc1 ZINC000595831165 347362554 /nfs/dbraw/zinc/36/25/54/347362554.db2.gz JSIMYGDHFLNCHK-QGZVFWFLSA-N 1 0 298.342 3.248 20 5 CGBDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000595856313 347368062 /nfs/dbraw/zinc/36/80/62/347368062.db2.gz APBAVKRCLMYJIH-SFESLNEESA-N 1 0 274.364 3.400 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](CNc2ccccc2[N+](=O)[O-])C1 ZINC000596308778 347414972 /nfs/dbraw/zinc/41/49/72/347414972.db2.gz URUBNTWSELDAKM-GFCCVEGCSA-N 1 0 277.368 3.127 20 5 CGBDRO C[C@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@@H]1C[C@H]1C1CC1 ZINC000598962730 347701611 /nfs/dbraw/zinc/70/16/11/347701611.db2.gz ILWDNEXXEFOPFB-UVBJJODRSA-N 1 0 274.364 3.162 20 5 CGBDRO Cc1ccc(NC[C@H]2CCCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC000599140325 347720535 /nfs/dbraw/zinc/72/05/35/347720535.db2.gz UUMNDCSVBDTINO-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000599164781 347722798 /nfs/dbraw/zinc/72/27/98/347722798.db2.gz MNNBZNGOYTWRMY-HNNXBMFYSA-N 1 0 275.352 3.024 20 5 CGBDRO C[C@H]1C[NH+](Cc2ccc([N+](=O)[O-])cc2)C[C@H](C)C1(F)F ZINC000599512395 347749082 /nfs/dbraw/zinc/74/90/82/347749082.db2.gz JHUHKYOTRGDMNN-QWRGUYRKSA-N 1 0 284.306 3.318 20 5 CGBDRO C[C@@H]1C[NH+](Cc2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F ZINC000599513278 347749311 /nfs/dbraw/zinc/74/93/11/347749311.db2.gz RRHYSSBNBCWRAK-GHMZBOCLSA-N 1 0 284.306 3.318 20 5 CGBDRO Cc1ccc(-c2cccc([C@@H]3C[NH2+]CCO3)c2)cc1[N+](=O)[O-] ZINC000600789581 347836149 /nfs/dbraw/zinc/83/61/49/347836149.db2.gz GHKGKGLXCGDZDM-KRWDZBQOSA-N 1 0 298.342 3.231 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)F)c1cccc([N+](=O)[O-])c1 ZINC000601288407 347888851 /nfs/dbraw/zinc/88/88/51/347888851.db2.gz XCCMOITWCNKBHQ-LBPRGKRZSA-N 1 0 254.305 3.384 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000601299021 347889938 /nfs/dbraw/zinc/88/99/38/347889938.db2.gz MDECURIDDIJRQP-RGCMKSIDSA-N 1 0 292.379 3.071 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)O1 ZINC000601298470 347890036 /nfs/dbraw/zinc/89/00/36/347890036.db2.gz IPZLKSXSVYHHON-XYPYXGAPSA-N 1 0 290.363 3.128 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000601306628 347890537 /nfs/dbraw/zinc/89/05/37/347890537.db2.gz NKDSNXLORUUCDO-AVPPRXQKSA-N 1 0 274.242 3.196 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CCSCC1 ZINC000602439669 347958090 /nfs/dbraw/zinc/95/80/90/347958090.db2.gz KXAVCJQLJJHRBN-UHFFFAOYSA-N 1 0 280.393 3.170 20 5 CGBDRO CCC[C@@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC000602612310 347994023 /nfs/dbraw/zinc/99/40/23/347994023.db2.gz OUSIKMLXBFBWTM-AWEZNQCLSA-N 1 0 280.368 3.235 20 5 CGBDRO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCCC[C@@H]1C ZINC000604432688 348120336 /nfs/dbraw/zinc/12/03/36/348120336.db2.gz QHAWCQPBOCGUHF-QWRGUYRKSA-N 1 0 283.397 3.331 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCCCC1 ZINC000603837833 348097602 /nfs/dbraw/zinc/09/76/02/348097602.db2.gz LZLHHQURFULGCI-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCCC2(CC2)C1 ZINC000351940450 219256734 /nfs/dbraw/zinc/25/67/34/219256734.db2.gz DIICKPHNYOIORG-UTCJRWHESA-N 1 0 272.348 3.484 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610582306 348391025 /nfs/dbraw/zinc/39/10/25/348391025.db2.gz GJYDGSOMJMVVHE-MNOVXSKESA-N 1 0 289.335 3.356 20 5 CGBDRO Cc1occc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000610805298 348404402 /nfs/dbraw/zinc/40/44/02/348404402.db2.gz XBALPUUGWOGYLF-SNVBAGLBSA-N 1 0 260.293 3.347 20 5 CGBDRO CC1(C)C[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])CCCO1 ZINC000611272390 348434308 /nfs/dbraw/zinc/43/43/08/348434308.db2.gz GDJZTOINQLURFB-YVMONPNESA-N 1 0 290.363 3.109 20 5 CGBDRO CC(C)C([NH2+]CCOc1cccc([N+](=O)[O-])c1)C(C)C ZINC000611434106 348451771 /nfs/dbraw/zinc/45/17/71/348451771.db2.gz NQBPWUOLDNUFAC-UHFFFAOYSA-N 1 0 280.368 3.244 20 5 CGBDRO O=[N+]([O-])c1ccc(CN2CC[C@H](C(F)F)C2)c(Cl)c1 ZINC000611795704 348476777 /nfs/dbraw/zinc/47/67/77/348476777.db2.gz CPVGSSQHQOJZSH-VIFPVBQESA-N 1 0 290.697 3.335 20 5 CGBDRO C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCC1 ZINC000612516821 348525186 /nfs/dbraw/zinc/52/51/86/348525186.db2.gz QEMADZBWAMQGJP-LBPRGKRZSA-N 1 0 278.352 3.142 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000612577477 348529660 /nfs/dbraw/zinc/52/96/60/348529660.db2.gz YSZQILIRLOFKCA-CQSZACIVSA-N 1 0 286.331 3.486 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)nc2c1 ZINC000614600959 348685363 /nfs/dbraw/zinc/68/53/63/348685363.db2.gz VGGHNPRAMPNIIM-GWCFXTLKSA-N 1 0 287.319 3.110 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CCCOC[C@H]1C ZINC000615835240 348767776 /nfs/dbraw/zinc/76/77/76/348767776.db2.gz CWSZXQPLFNWREZ-RNQWEJQRSA-N 1 0 290.363 3.109 20 5 CGBDRO COC[C@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000618569213 349108240 /nfs/dbraw/zinc/10/82/40/349108240.db2.gz PYWRVAOTEJBLSJ-CVEARBPZSA-N 1 0 292.379 3.233 20 5 CGBDRO CSC1(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000618990782 349192851 /nfs/dbraw/zinc/19/28/51/349192851.db2.gz FUTYVTXCMGJWOT-LLVKDONJSA-N 1 0 280.393 3.449 20 5 CGBDRO CC(C)C1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000619431135 349249690 /nfs/dbraw/zinc/24/96/90/349249690.db2.gz KVIUKCUTIRTFBI-FNORWQNLSA-N 1 0 260.337 3.196 20 5 CGBDRO COCCCC[N@H+](C)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000352090884 219316940 /nfs/dbraw/zinc/31/69/40/219316940.db2.gz DVZHPOQZZINNNV-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000122688094 187046059 /nfs/dbraw/zinc/04/60/59/187046059.db2.gz VYKNWHDVBHZAOU-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H](CC)COC)cc1[N+](=O)[O-] ZINC000153900729 188110908 /nfs/dbraw/zinc/11/09/08/188110908.db2.gz QHNRONUUQBDFLQ-WCQYABFASA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CS[C@@H](C)C1 ZINC000414230729 235369210 /nfs/dbraw/zinc/36/92/10/235369210.db2.gz OFHHNDKMNLDFCJ-NTZNESFSSA-N 1 0 280.393 3.009 20 5 CGBDRO COC1([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CCC1 ZINC000414311132 235385813 /nfs/dbraw/zinc/38/58/13/235385813.db2.gz IECLBSUNAWWURI-RYUDHWBXSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000104688231 138351018 /nfs/dbraw/zinc/35/10/18/138351018.db2.gz ZJWWHEHGFQJYQX-GFCCVEGCSA-N 1 0 266.341 3.094 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)SCC[NH+](C)C ZINC000180077106 138429066 /nfs/dbraw/zinc/42/90/66/138429066.db2.gz CEZDQLCPKUEVBI-NSHDSACASA-N 1 0 268.382 3.259 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H]3CCC[C@H]32)cc1 ZINC000426464064 236296912 /nfs/dbraw/zinc/29/69/12/236296912.db2.gz XRQSAFDGTWTEEQ-DZGCQCFKSA-N 1 0 260.337 3.012 20 5 CGBDRO Cc1cc(NC[C@@H](C)C[NH+]2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000313956800 138587674 /nfs/dbraw/zinc/58/76/74/138587674.db2.gz HWFYWVFTEUQWOR-LLVKDONJSA-N 1 0 295.358 3.186 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000178651528 189134994 /nfs/dbraw/zinc/13/49/94/189134994.db2.gz ZCGXEUPNDXLXBC-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000178661007 189135720 /nfs/dbraw/zinc/13/57/20/189135720.db2.gz LYMZCPVOFYIZFN-BXUZGUMPSA-N 1 0 280.368 3.307 20 5 CGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000342081274 216213175 /nfs/dbraw/zinc/21/31/75/216213175.db2.gz WDXXWZMHJUVSKW-VGVVRCBHSA-N 1 0 283.331 3.354 20 5 CGBDRO CC[C@H](C)[NH+]1CCN([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000451823237 240365150 /nfs/dbraw/zinc/36/51/50/240365150.db2.gz MXTZRWKEKKYKEL-KBPBESRZSA-N 1 0 291.395 3.072 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CCc2ccc3[nH]ccc3c2)c1 ZINC000441192141 238381818 /nfs/dbraw/zinc/38/18/18/238381818.db2.gz FWDLCPUXOQLBRX-UHFFFAOYSA-N 1 0 295.342 3.408 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1CCCSC1 ZINC000342289175 216292084 /nfs/dbraw/zinc/29/20/84/216292084.db2.gz WGCIRYZXLKKGQC-RBWDJNPFSA-N 1 0 292.404 3.341 20 5 CGBDRO CC[C@H]([NH2+]CCCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000181563032 189301266 /nfs/dbraw/zinc/30/12/66/189301266.db2.gz WMRNIIMGBKQSSI-HNNXBMFYSA-N 1 0 280.368 3.188 20 5 CGBDRO CCSCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000181841607 189307904 /nfs/dbraw/zinc/30/79/04/189307904.db2.gz RBSUYRKPHQMJPR-NSHDSACASA-N 1 0 268.382 3.307 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCCCCCO)cc1[N+](=O)[O-] ZINC000181842182 189307918 /nfs/dbraw/zinc/30/79/18/189307918.db2.gz RJQZWMXNLXBYDB-ZDUSSCGKSA-N 1 0 280.368 3.107 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C/C=C/Cl)cc1[N+](=O)[O-] ZINC000181840136 189307939 /nfs/dbraw/zinc/30/79/39/189307939.db2.gz CBOPYYHBWZVSGQ-QLCVYAKKSA-N 1 0 254.717 3.306 20 5 CGBDRO CC[N@@H+]1CCCC[C@@H]1CNc1cccc(F)c1[N+](=O)[O-] ZINC000301524621 201045553 /nfs/dbraw/zinc/04/55/53/201045553.db2.gz HCRCLVXMCQPJHZ-LLVKDONJSA-N 1 0 281.331 3.020 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000301573475 201074672 /nfs/dbraw/zinc/07/46/72/201074672.db2.gz PITVCJISFRWOKY-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000183039589 189343838 /nfs/dbraw/zinc/34/38/38/189343838.db2.gz PZVHORCWJBFYMD-UWVGGRQHSA-N 1 0 277.324 3.260 20 5 CGBDRO Cc1cc(NCc2nccn2CC(C)C)ccc1[N+](=O)[O-] ZINC000301753317 201176747 /nfs/dbraw/zinc/17/67/47/201176747.db2.gz JJSNITUIWSREGA-UHFFFAOYSA-N 1 0 288.351 3.368 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184686193 189392729 /nfs/dbraw/zinc/39/27/29/189392729.db2.gz PHXZRSDEQBWFPR-GXFFZTMASA-N 1 0 296.342 3.411 20 5 CGBDRO C[NH+](C)[C@@H](CNc1sccc1[N+](=O)[O-])c1ccccc1 ZINC000301928667 201267153 /nfs/dbraw/zinc/26/71/53/201267153.db2.gz JBLUDWYNSUHPSR-ZDUSSCGKSA-N 1 0 291.376 3.371 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC12CCCC2 ZINC000449287651 239291424 /nfs/dbraw/zinc/29/14/24/239291424.db2.gz XHDNMQAXUPHGKA-IUODEOHRSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1F ZINC000449343294 239331406 /nfs/dbraw/zinc/33/14/06/239331406.db2.gz JGUFODSYGQFYAO-KGYLQXTDSA-N 1 0 266.316 3.006 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000453355077 240871816 /nfs/dbraw/zinc/87/18/16/240871816.db2.gz HHAUTKPZVDJVBY-XEGUGMAKSA-N 1 0 260.337 3.292 20 5 CGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CC(C)(C)C1 ZINC000459734339 242198628 /nfs/dbraw/zinc/19/86/28/242198628.db2.gz ONQALBQDCYTUJJ-UHFFFAOYSA-N 1 0 254.355 3.277 20 5 CGBDRO COc1ccc(C[NH2+]C2(C3CCC3)CCC2)cc1[N+](=O)[O-] ZINC000459740214 242200736 /nfs/dbraw/zinc/20/07/36/242200736.db2.gz JKDLOFWGTPRREO-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO Cn1ccc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000343209044 216690182 /nfs/dbraw/zinc/69/01/82/216690182.db2.gz XTVCUGQCDCDPRI-UHFFFAOYSA-N 1 0 287.363 3.046 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1 ZINC000481396397 243191736 /nfs/dbraw/zinc/19/17/36/243191736.db2.gz FVQDMMSYBGVCCL-IUODEOHRSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615488 203041158 /nfs/dbraw/zinc/04/11/58/203041158.db2.gz UETZZPKMWQNBCW-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H](CN1CCCCC1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000037153277 369069215 /nfs/dbraw/zinc/06/92/15/369069215.db2.gz JUEGLXRTROWGGY-KBPBESRZSA-N 1 0 291.395 3.120 20 5 CGBDRO COc1cccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)c1 ZINC000037680708 369100520 /nfs/dbraw/zinc/10/05/20/369100520.db2.gz BHJJICDJZLVOOQ-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000037010420 369050363 /nfs/dbraw/zinc/05/03/63/369050363.db2.gz DTFUKJWHLZVCSP-MRXNPFEDSA-N 1 0 285.347 3.273 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000037717990 369101803 /nfs/dbraw/zinc/10/18/03/369101803.db2.gz JVIGBYAIRHIMDQ-INIZCTEOSA-N 1 0 285.347 3.273 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CCSc1ccccc1 ZINC000037854596 369119595 /nfs/dbraw/zinc/11/95/95/369119595.db2.gz LSCLXVJVEKNVFV-UHFFFAOYSA-N 1 0 288.372 3.477 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@@H]3CCC[C@H]32)ccc1[N+](=O)[O-] ZINC000492821637 244031022 /nfs/dbraw/zinc/03/10/22/244031022.db2.gz ZJQIYUOVDMRSQN-UONOGXRCSA-N 1 0 290.363 3.368 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000049094170 369388553 /nfs/dbraw/zinc/38/85/53/369388553.db2.gz BUDHWZHLFOHCEZ-MNOVXSKESA-N 1 0 266.341 3.128 20 5 CGBDRO C[NH+]1CCC(CCNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227889465 189789378 /nfs/dbraw/zinc/78/93/78/189789378.db2.gz QAFJFEPRFIYJRF-UHFFFAOYSA-N 1 0 299.321 3.017 20 5 CGBDRO CC(C)[NH+](CCNc1ccc(F)cc1[N+](=O)[O-])C(C)C ZINC000057364338 369536385 /nfs/dbraw/zinc/53/63/85/369536385.db2.gz GEMMANJUZSGQTO-UHFFFAOYSA-N 1 0 283.347 3.265 20 5 CGBDRO C[N@H+](CCCNc1ccc([N+](=O)[O-])nc1)C1CCCCC1 ZINC000055372155 369516487 /nfs/dbraw/zinc/51/64/87/369516487.db2.gz VJNACWLTMUVLDH-UHFFFAOYSA-N 1 0 292.383 3.056 20 5 CGBDRO CC[C@H]([NH2+]CCCSC)c1cccc([N+](=O)[O-])c1 ZINC000069434203 369760815 /nfs/dbraw/zinc/76/08/15/369760815.db2.gz IXDOTLMOWSDWTC-ZDUSSCGKSA-N 1 0 268.382 3.389 20 5 CGBDRO CCSCC[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000080530816 369990732 /nfs/dbraw/zinc/99/07/32/369990732.db2.gz DWPJLDNRTSAWSG-LLVKDONJSA-N 1 0 268.382 3.216 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C1CC(F)(F)C1 ZINC000277000736 193527205 /nfs/dbraw/zinc/52/72/05/193527205.db2.gz AJWDIQMIKOZMOX-SNVBAGLBSA-N 1 0 284.306 3.303 20 5 CGBDRO CCC(C)(CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000116358946 370556935 /nfs/dbraw/zinc/55/69/35/370556935.db2.gz RSTIHXNVBWRVKU-UHFFFAOYSA-N 1 0 266.341 3.272 20 5 CGBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000117394328 370590104 /nfs/dbraw/zinc/59/01/04/370590104.db2.gz CLVIWWDKBJCFFR-JSGCOSHPSA-N 1 0 280.393 3.359 20 5 CGBDRO Cc1c(C[N@H+]2CCS[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC000118417597 370615169 /nfs/dbraw/zinc/61/51/69/370615169.db2.gz NGYMPTFGGIGQHA-NWDGAFQWSA-N 1 0 280.393 3.229 20 5 CGBDRO CC[NH+](CC)CCCN[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000131430183 371108119 /nfs/dbraw/zinc/10/81/19/371108119.db2.gz AMIOGZXNAMLRDP-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO CC[C@@H]([NH2+][C@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000131578364 371117807 /nfs/dbraw/zinc/11/78/07/371117807.db2.gz NTOUDQAQGMICGY-ZWNOBZJWSA-N 1 0 268.382 3.387 20 5 CGBDRO C[C@@H](O)CC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000090087662 296169959 /nfs/dbraw/zinc/16/99/59/296169959.db2.gz UPQKUGBMZZUSIO-VXGBXAGGSA-N 1 0 280.368 3.043 20 5 CGBDRO CS[C@@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000134604490 371353075 /nfs/dbraw/zinc/35/30/75/371353075.db2.gz MDDLPXIWNDJEKN-LLVKDONJSA-N 1 0 298.383 3.451 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152876046 371730891 /nfs/dbraw/zinc/73/08/91/371730891.db2.gz SVNGUISPDACWSE-PHIMTYICSA-N 1 0 280.755 3.480 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)ccc1[N+](=O)[O-] ZINC000344154794 217076822 /nfs/dbraw/zinc/07/68/22/217076822.db2.gz YZIQBUYGTFPFAX-AWEZNQCLSA-N 1 0 290.363 3.225 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CC1 ZINC000291101834 372115808 /nfs/dbraw/zinc/11/58/08/372115808.db2.gz DSPNWDLPUYZGBV-WBMJQRKESA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000291270504 372152228 /nfs/dbraw/zinc/15/22/28/372152228.db2.gz QOTBPRPWPCSPEV-KRWDZBQOSA-N 1 0 298.342 3.468 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cccc1[N+](=O)[O-] ZINC000160547528 372257991 /nfs/dbraw/zinc/25/79/91/372257991.db2.gz ZJPVNCHIKBJCQH-ZENOOKHLSA-N 1 0 292.379 3.105 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429245093 372328034 /nfs/dbraw/zinc/32/80/34/372328034.db2.gz IUDJSVJTAIWOPH-CYBMUJFWSA-N 1 0 294.395 3.217 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])Cc1ccco1 ZINC000162141090 372377012 /nfs/dbraw/zinc/37/70/12/372377012.db2.gz TWVOKILZQBRPRT-QPJJXVBHSA-N 1 0 272.304 3.333 20 5 CGBDRO CC[C@H]1CCCC[C@H]1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000163399636 372467104 /nfs/dbraw/zinc/46/71/04/372467104.db2.gz VMBRBTNGIKZWCK-MAZHCROVSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc(NCCOC(C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000168656052 372614341 /nfs/dbraw/zinc/61/43/41/372614341.db2.gz VKRLURBEIMMKOT-UHFFFAOYSA-N 1 0 289.335 3.288 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000433807218 372632794 /nfs/dbraw/zinc/63/27/94/372632794.db2.gz DQNAJIRAEQZOSX-CQSZACIVSA-N 1 0 289.379 3.332 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000433796715 372632956 /nfs/dbraw/zinc/63/29/56/372632956.db2.gz PLIMJIXJPJJSFU-OAHLLOKOSA-N 1 0 289.379 3.332 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000433812161 372635805 /nfs/dbraw/zinc/63/58/05/372635805.db2.gz MZTVDESYNZSIFB-ZDUSSCGKSA-N 1 0 293.342 3.163 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000353494329 220118215 /nfs/dbraw/zinc/11/82/15/220118215.db2.gz ZPPSWAQLQICTIH-SNVBAGLBSA-N 1 0 254.355 3.421 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCCSC1 ZINC000344727299 217290562 /nfs/dbraw/zinc/29/05/62/217290562.db2.gz TVIVFVPOQOLXKJ-RJNRQISESA-N 1 0 278.377 3.093 20 5 CGBDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)cn1 ZINC000295916608 372957926 /nfs/dbraw/zinc/95/79/26/372957926.db2.gz FBOLDOHJVQOWJK-NWDGAFQWSA-N 1 0 288.351 3.223 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccncc2)cc1[N+](=O)[O-] ZINC000344769121 217305406 /nfs/dbraw/zinc/30/54/06/217305406.db2.gz HUFIDZXLHIFKPQ-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)no1 ZINC000344839452 217327985 /nfs/dbraw/zinc/32/79/85/217327985.db2.gz ZCHRGLNCFCBURP-WDZFZDKYSA-N 1 0 287.319 3.084 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)O)cc1[N+](=O)[O-] ZINC000296520228 373162035 /nfs/dbraw/zinc/16/20/35/373162035.db2.gz PWVBKFAAVLHOHN-NWDGAFQWSA-N 1 0 280.368 3.103 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H]1CCCCO1 ZINC000344849335 217332561 /nfs/dbraw/zinc/33/25/61/217332561.db2.gz KHKHSGOCCCJBAL-RCBBPTIPSA-N 1 0 290.363 3.157 20 5 CGBDRO COC[C@@]1(C)CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000296702214 373222200 /nfs/dbraw/zinc/22/22/00/373222200.db2.gz MMVRFUFRZFWPAP-BBRMVZONSA-N 1 0 292.379 3.323 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000296636533 373201654 /nfs/dbraw/zinc/20/16/54/373201654.db2.gz XSMMRKNYDDAFIE-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000444596914 373209401 /nfs/dbraw/zinc/20/94/01/373209401.db2.gz OEVUFOSJFZXYNP-LLVKDONJSA-N 1 0 288.351 3.093 20 5 CGBDRO CC(C)[N@H+](CCOc1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000444778381 373271643 /nfs/dbraw/zinc/27/16/43/373271643.db2.gz UNODLAMNBMETBN-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO CCC[C@](C)(O)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447531435 373446139 /nfs/dbraw/zinc/44/61/39/373446139.db2.gz RCYJSVFZVOKIJA-CVEARBPZSA-N 1 0 292.379 3.113 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccn(C)c1 ZINC000345043891 217395331 /nfs/dbraw/zinc/39/53/31/217395331.db2.gz KMIUANAGWUGHPY-MDWZMJQESA-N 1 0 285.347 3.126 20 5 CGBDRO CO[C@H]1C[C@H]([NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])C1(C)C ZINC000300645382 373637815 /nfs/dbraw/zinc/63/78/15/373637815.db2.gz PARUQISTZPKCMO-STQMWFEESA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCC[C@H](C)C1 ZINC000301127860 373670359 /nfs/dbraw/zinc/67/03/59/373670359.db2.gz XSEPABGYRXAZSA-RYUDHWBXSA-N 1 0 295.358 3.266 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC000449505095 373805155 /nfs/dbraw/zinc/80/51/55/373805155.db2.gz QWFWNDYDAYGCQW-YGRLFVJLSA-N 1 0 298.770 3.105 20 5 CGBDRO Cn1cccc1C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000449494688 373790285 /nfs/dbraw/zinc/79/02/85/373790285.db2.gz BFTMCDXAHBTPAS-HNNXBMFYSA-N 1 0 299.374 3.313 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000311683514 374253937 /nfs/dbraw/zinc/25/39/37/374253937.db2.gz JMVSKEPTBVJPQN-LLVKDONJSA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1N[C@@H](C)C[N@@H+](C)C(C)C ZINC000311994651 374266056 /nfs/dbraw/zinc/26/60/56/374266056.db2.gz OXTBOOPQXVZUFY-LBPRGKRZSA-N 1 0 265.357 3.044 20 5 CGBDRO COc1ccc(OCC[NH+](C(C)C)C(C)C)c([N+](=O)[O-])c1 ZINC000183049362 374364358 /nfs/dbraw/zinc/36/43/58/374364358.db2.gz HHZKPOAKYGCKJB-UHFFFAOYSA-N 1 0 296.367 3.101 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000183349738 374403844 /nfs/dbraw/zinc/40/38/44/374403844.db2.gz OBJGWVWFARQGIT-ZIAGYGMSSA-N 1 0 260.337 3.135 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000332291223 374565563 /nfs/dbraw/zinc/56/55/63/374565563.db2.gz YCLPVSXXNQRHEC-LLVKDONJSA-N 1 0 288.351 3.236 20 5 CGBDRO CC(C)C[C@H]1OCCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000185189348 374605908 /nfs/dbraw/zinc/60/59/08/374605908.db2.gz MQIDGEIDHMWTRW-HZPDHXFCSA-N 1 0 292.379 3.278 20 5 CGBDRO CCOC[C@@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C(C)C ZINC000474005748 375071449 /nfs/dbraw/zinc/07/14/49/375071449.db2.gz DILSPCQGFCIGCE-SOIVGHGOSA-N 1 0 292.379 3.259 20 5 CGBDRO CC1(C)CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000497413801 375596578 /nfs/dbraw/zinc/59/65/78/375596578.db2.gz BQICWGPGFDEMSL-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO CCC[N@@H+](Cc1ccc(OC)c([N+](=O)[O-])c1)CC(C)C ZINC000508581318 375751376 /nfs/dbraw/zinc/75/13/76/375751376.db2.gz INJHVSXGMSLHJW-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCc1ccccn1)CCC2 ZINC000192592186 375768230 /nfs/dbraw/zinc/76/82/30/375768230.db2.gz WDUKPRODQMQLKK-QGZVFWFLSA-N 1 0 297.358 3.200 20 5 CGBDRO CSCCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192880272 375797755 /nfs/dbraw/zinc/79/77/55/375797755.db2.gz XPJGHHZGOCNAPN-CQSZACIVSA-N 1 0 280.393 3.315 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192779606 375789334 /nfs/dbraw/zinc/78/93/34/375789334.db2.gz OMPQUFYTYAEGPF-HNNXBMFYSA-N 1 0 292.379 3.113 20 5 CGBDRO CC(C)[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCC1 ZINC000193199957 375838593 /nfs/dbraw/zinc/83/85/93/375838593.db2.gz FNTZTXTWRXZAIA-INIZCTEOSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@@H]1CC[C@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000336812202 375964554 /nfs/dbraw/zinc/96/45/54/375964554.db2.gz QMPRFXAYVANWHM-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1cc(NCCC[N@@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000336844468 376006586 /nfs/dbraw/zinc/00/65/86/376006586.db2.gz ZPBBBBHSMUVKHC-UHFFFAOYSA-N 1 0 283.347 3.185 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccc2[nH]cnc2c1)c1ccccc1[N+](=O)[O-] ZINC000540327659 376371568 /nfs/dbraw/zinc/37/15/68/376371568.db2.gz QGVWZQOPUZMNTI-LLVKDONJSA-N 1 0 296.330 3.322 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000227272135 376385970 /nfs/dbraw/zinc/38/59/70/376385970.db2.gz LZTGCOQWBPHUAB-OLZOCXBDSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000227272155 376386565 /nfs/dbraw/zinc/38/65/65/376386565.db2.gz LZTGCOQWBPHUAB-QWHCGFSZSA-N 1 0 278.352 3.205 20 5 CGBDRO C[NH+]1CCC(C)(CNc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000227307695 376387777 /nfs/dbraw/zinc/38/77/77/376387777.db2.gz NMLKUYKDCFCRJV-UHFFFAOYSA-N 1 0 299.321 3.017 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@H]2CCCCO2)c1 ZINC000227339127 376391507 /nfs/dbraw/zinc/39/15/07/376391507.db2.gz JARDHQUGVCXFQP-CYBMUJFWSA-N 1 0 298.770 3.297 20 5 CGBDRO Cc1ccc(CC[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000541539450 376456430 /nfs/dbraw/zinc/45/64/30/376456430.db2.gz VLTOFJMGVPFCAR-UHFFFAOYSA-N 1 0 294.738 3.482 20 5 CGBDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000541795147 376482839 /nfs/dbraw/zinc/48/28/39/376482839.db2.gz XTPZDUARQGYJJP-TUKIKUTGSA-N 1 0 292.379 3.052 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2nccs2)cc1[N+](=O)[O-] ZINC000230694158 376536755 /nfs/dbraw/zinc/53/67/55/376536755.db2.gz VOMDYCSIKBCGGV-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000339004935 376623696 /nfs/dbraw/zinc/62/36/96/376623696.db2.gz VUPQXISTWPCUIU-NEPJUHHUSA-N 1 0 295.358 3.409 20 5 CGBDRO CC(C)(C)[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000543247161 376624368 /nfs/dbraw/zinc/62/43/68/376624368.db2.gz AIJWPPOHRWJYKJ-ZDUSSCGKSA-N 1 0 262.353 3.463 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(F)(F)C1 ZINC000340281353 376978456 /nfs/dbraw/zinc/97/84/56/376978456.db2.gz XJKYZCLBYIWLIP-LLVKDONJSA-N 1 0 284.306 3.462 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000558737250 377042551 /nfs/dbraw/zinc/04/25/51/377042551.db2.gz ZEAIGKDKOMVOQK-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CC[C@H](F)C1 ZINC000558259311 376993266 /nfs/dbraw/zinc/99/32/66/376993266.db2.gz XYTVLDMVUYZZSD-SRVKXCTJSA-N 1 0 266.316 3.444 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCO1 ZINC000246581460 377054945 /nfs/dbraw/zinc/05/49/45/377054945.db2.gz YQSQOERTANITHL-UGFHNGPFSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CCCCO ZINC000560349194 377142507 /nfs/dbraw/zinc/14/25/07/377142507.db2.gz APRKOYIBZMQQRO-STQMWFEESA-N 1 0 280.368 3.105 20 5 CGBDRO Cc1cc(OCc2cccc([N+](=O)[O-])c2)c(C)c(C)[nH+]1 ZINC000562227954 377283546 /nfs/dbraw/zinc/28/35/46/377283546.db2.gz LJRRDYDWAFXNFO-UHFFFAOYSA-N 1 0 272.304 3.494 20 5 CGBDRO CO[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000248997193 377441323 /nfs/dbraw/zinc/44/13/23/377441323.db2.gz GYAJHOWOTIGZCT-YNEHKIRRSA-N 1 0 278.352 3.121 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@H](C)C1 ZINC000249136231 377469427 /nfs/dbraw/zinc/46/94/27/377469427.db2.gz YSFDPPYNTUSLCP-VXGBXAGGSA-N 1 0 280.393 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000312903350 249082643 /nfs/dbraw/zinc/08/26/43/249082643.db2.gz YXRCXCGSACCGAI-ZBCRRDGASA-N 1 0 274.364 3.306 20 5 CGBDRO Cc1cc(NCC[N@@H+](C)C2CCCC2)c(F)cc1[N+](=O)[O-] ZINC000313981645 249094719 /nfs/dbraw/zinc/09/47/19/249094719.db2.gz MGVMRQDVZGOJGT-UHFFFAOYSA-N 1 0 295.358 3.329 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 ZINC000265275161 190171372 /nfs/dbraw/zinc/17/13/72/190171372.db2.gz XXIYXAXZUZSMMU-UHFFFAOYSA-N 1 0 294.351 3.082 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@H](c3ccncc3)C2)cccc1[N+](=O)[O-] ZINC000518674267 249284653 /nfs/dbraw/zinc/28/46/53/249284653.db2.gz PCDKPIABQLDPBR-INIZCTEOSA-N 1 0 297.358 3.288 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](Oc3ccccc3)C2)c1 ZINC000517562388 249267587 /nfs/dbraw/zinc/26/75/87/249267587.db2.gz OQDLCJILUJQROL-KRWDZBQOSA-N 1 0 298.342 3.248 20 5 CGBDRO CC[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255583247 377768539 /nfs/dbraw/zinc/76/85/39/377768539.db2.gz OVQGZUGNWSZZPJ-VGVVRCBHSA-N 1 0 260.337 3.340 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H]2C2CCC2)cs1 ZINC000343006450 377879838 /nfs/dbraw/zinc/87/98/38/377879838.db2.gz BANZCZZWRHESMX-LBPRGKRZSA-N 1 0 266.366 3.421 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000578747781 378097119 /nfs/dbraw/zinc/09/71/19/378097119.db2.gz PWWNIGPNWNKONQ-GVXVVHGQSA-N 1 0 278.352 3.443 20 5 CGBDRO CO[C@H](C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-])C(C)C ZINC000268982553 378164793 /nfs/dbraw/zinc/16/47/93/378164793.db2.gz PFMBDZDLISPDAQ-CZUORRHYSA-N 1 0 294.395 3.177 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000580209099 378233555 /nfs/dbraw/zinc/23/35/55/378233555.db2.gz VKRQIVOIVWXMGE-GFCCVEGCSA-N 1 0 270.279 3.151 20 5 CGBDRO COC(C)(C)CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000346440111 378579133 /nfs/dbraw/zinc/57/91/33/378579133.db2.gz WSEHEGDEQPNKNA-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000272586123 378671493 /nfs/dbraw/zinc/67/14/93/378671493.db2.gz WTBFDYRJSGBANW-IHRRRGAJSA-N 1 0 292.379 3.200 20 5 CGBDRO CC(C)OC1CC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000274531232 378848014 /nfs/dbraw/zinc/84/80/14/378848014.db2.gz RBOXCLPFOGCJID-HIFPTAJRSA-N 1 0 278.352 3.201 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C(F)F)CCC2 ZINC000348288425 378887249 /nfs/dbraw/zinc/88/72/49/378887249.db2.gz JTUKBVPKJIKSQX-JHJVBQTASA-N 1 0 282.290 3.215 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CC[C@H](F)C2)cccc1[N+](=O)[O-] ZINC000348334105 378914485 /nfs/dbraw/zinc/91/44/85/378914485.db2.gz NSUFZMGCLORQLL-SDDRHHMPSA-N 1 0 266.316 3.444 20 5 CGBDRO COCC(C)(C)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000276909101 379019640 /nfs/dbraw/zinc/01/96/40/379019640.db2.gz JBSUVQDGSUKYIG-GFCCVEGCSA-N 1 0 280.368 3.226 20 5 CGBDRO CC(C)OCCC[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000353699316 220264620 /nfs/dbraw/zinc/26/46/20/220264620.db2.gz RMWPZEFIVPEIIP-TWGQIWQCSA-N 1 0 292.379 3.355 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)CCCCCO ZINC000278819363 194169056 /nfs/dbraw/zinc/16/90/56/194169056.db2.gz HJOJVLMMJSOGOI-CYBMUJFWSA-N 1 0 280.368 3.059 20 5 CGBDRO CC[C@@H]1CN(Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCO1 ZINC000349799325 379389390 /nfs/dbraw/zinc/38/93/90/379389390.db2.gz JCGSYWWVNXXDSG-CQSZACIVSA-N 1 0 292.379 3.329 20 5 CGBDRO CC(C)[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C(C)(C)O ZINC000347709934 218330742 /nfs/dbraw/zinc/33/07/42/218330742.db2.gz VQWDCMOXOPEGQT-BXUZGUMPSA-N 1 0 280.368 3.041 20 5 CGBDRO C[C@@H]([NH3+])[C@@H](C)Nc1c(Cl)cc([N+](=O)[O-])cc1Cl ZINC000381528999 379869988 /nfs/dbraw/zinc/86/99/88/379869988.db2.gz ZZOFFSNKGDJLBN-PHDIDXHHSA-N 1 0 278.139 3.049 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000388272725 379883889 /nfs/dbraw/zinc/88/38/89/379883889.db2.gz HTWPLAYNZNKZMU-RLCCDNCMSA-N 1 0 292.379 3.449 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCOCC2(CCC2)C1 ZINC000408213949 380000248 /nfs/dbraw/zinc/00/02/48/380000248.db2.gz FMACNTZBAALTDO-ZDUSSCGKSA-N 1 0 290.363 3.158 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]CC2(C(F)(F)F)CC2)c1 ZINC000353038526 380089095 /nfs/dbraw/zinc/08/90/95/380089095.db2.gz ZXKGZIBGKRJBMZ-UHFFFAOYSA-N 1 0 274.242 3.027 20 5 CGBDRO C[C@@H]1CC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000353118370 380124234 /nfs/dbraw/zinc/12/42/34/380124234.db2.gz LMWYJOBRWUIQMW-KCJUWKMLSA-N 1 0 286.278 3.084 20 5 CGBDRO Cc1ccccc1C[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000353607969 380215431 /nfs/dbraw/zinc/21/54/31/380215431.db2.gz CLHWXKSHBJVFBK-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCSC1 ZINC000288338969 197054609 /nfs/dbraw/zinc/05/46/09/197054609.db2.gz BCZRMWBQRWAOAA-GFCCVEGCSA-N 1 0 280.393 3.136 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)C1CCSCC1 ZINC000354590100 380497199 /nfs/dbraw/zinc/49/71/99/380497199.db2.gz ZLGXWMNJYLJLEW-LBPRGKRZSA-N 1 0 294.420 3.259 20 5 CGBDRO CC[NH2+]Cc1ccccc1NCc1cccc([N+](=O)[O-])c1 ZINC000414872969 380468132 /nfs/dbraw/zinc/46/81/32/380468132.db2.gz WMTYLBVTWLSQFZ-UHFFFAOYSA-N 1 0 285.347 3.316 20 5 CGBDRO CCC[C@H](O)C[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311682 380589705 /nfs/dbraw/zinc/58/97/05/380589705.db2.gz MHZUVNZZQRYWBX-HOCLYGCPSA-N 1 0 292.379 3.113 20 5 CGBDRO CC1(C)C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C(C)(C)O1 ZINC000268962089 190456211 /nfs/dbraw/zinc/45/62/11/190456211.db2.gz VXMAWSRCRAOKNC-AWEZNQCLSA-N 1 0 292.379 3.073 20 5 CGBDRO CCC[NH+](CCC)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000355461369 380674106 /nfs/dbraw/zinc/67/41/06/380674106.db2.gz YJINKFVJZXNMQS-UHFFFAOYSA-N 1 0 276.340 3.093 20 5 CGBDRO COCCCC[N@H+](C)[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000419381202 380824598 /nfs/dbraw/zinc/82/45/98/380824598.db2.gz HZAJKBHPDADKBD-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1ccc(F)cn1 ZINC000356691914 380825419 /nfs/dbraw/zinc/82/54/19/380825419.db2.gz GYCRATXKWREKKC-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2c(F)cccc2[N+](=O)[O-])C[C@H]1C ZINC000419372319 380818947 /nfs/dbraw/zinc/81/89/47/380818947.db2.gz MDEXZBBEFSAEQE-GMTAPVOTSA-N 1 0 266.316 3.210 20 5 CGBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000356932509 380944475 /nfs/dbraw/zinc/94/44/75/380944475.db2.gz YKINQUYMQLIHDN-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000360492949 381559057 /nfs/dbraw/zinc/55/90/57/381559057.db2.gz VCZWKDHWTLYQSU-CYBMUJFWSA-N 1 0 285.347 3.273 20 5 CGBDRO C[C@@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000348892748 218769172 /nfs/dbraw/zinc/76/91/72/218769172.db2.gz JIQOFGXMJUQMNJ-AWEZNQCLSA-N 1 0 299.374 3.164 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169880 532964587 /nfs/dbraw/zinc/96/45/87/532964587.db2.gz PVLIVZLTVIOZHI-QWHCGFSZSA-N 1 0 294.395 3.319 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](F)C1)CCC2 ZINC000332006129 285145285 /nfs/dbraw/zinc/14/52/85/285145285.db2.gz FAQZGFTWZZYZIA-YWPYICTPSA-N 1 0 278.327 3.452 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@H]2CCC(F)(F)C2)cc1[N+](=O)[O-] ZINC000281687925 195338304 /nfs/dbraw/zinc/33/83/04/195338304.db2.gz PCIAVDNLQYCSAU-LBPRGKRZSA-N 1 0 284.306 3.428 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C)C1CC1 ZINC000411955089 533347400 /nfs/dbraw/zinc/34/74/00/533347400.db2.gz UHWKVWZVTWQRMW-MLGOLLRUSA-N 1 0 292.379 3.196 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000246971900 131099528 /nfs/dbraw/zinc/09/95/28/131099528.db2.gz ILYGRKWYNCCGOA-ZLDLUXBVSA-N 1 0 278.352 3.061 20 5 CGBDRO CCC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000252715446 131137226 /nfs/dbraw/zinc/13/72/26/131137226.db2.gz VPEDVKWMNAAQMC-INWMFGNUSA-N 1 0 292.379 3.451 20 5 CGBDRO CCS[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000286030625 392365532 /nfs/dbraw/zinc/36/55/32/392365532.db2.gz HWEMJRBPYFEDTR-JSGCOSHPSA-N 1 0 280.393 3.359 20 5 CGBDRO Cc1ccncc1C[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000291824732 392490408 /nfs/dbraw/zinc/49/04/08/392490408.db2.gz ZPRBSTAXZUVYIB-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO COCC[C@H]1CCCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000372087783 392582135 /nfs/dbraw/zinc/58/21/35/392582135.db2.gz GSEAHLKFIMFFDQ-CQSZACIVSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc(F)cc1[N+](=O)[O-] ZINC000505577680 392675714 /nfs/dbraw/zinc/67/57/14/392675714.db2.gz ZZKNJZWZJPBHSC-RYUDHWBXSA-N 1 0 295.358 3.266 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCOC1 ZINC000341894349 392994752 /nfs/dbraw/zinc/99/47/52/392994752.db2.gz ZZZDSWRURZUCEC-SCRDCRAPSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCC[C@@H]1C ZINC000466421480 393029521 /nfs/dbraw/zinc/02/95/21/393029521.db2.gz DLIZCUZGFBVFCZ-WCQYABFASA-N 1 0 262.353 3.429 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)cc1[N+](=O)[O-] ZINC000344388089 393042703 /nfs/dbraw/zinc/04/27/03/393042703.db2.gz GHPOAZWPZGMNHQ-MLGOLLRUSA-N 1 0 292.379 3.375 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1CC[C@@H](C)C1 ZINC000470176070 393231609 /nfs/dbraw/zinc/23/16/09/393231609.db2.gz HYYKZRYTLOTGQX-YFBAIUBQSA-N 1 0 260.337 3.340 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000470177067 393231771 /nfs/dbraw/zinc/23/17/71/393231771.db2.gz OZFOQXOUWFINLF-JLHYYAGUSA-N 1 0 260.337 3.484 20 5 CGBDRO CCc1ccccc1[C@@H]([NH3+])CNc1ccccc1[N+](=O)[O-] ZINC000420272603 393447163 /nfs/dbraw/zinc/44/71/63/393447163.db2.gz IFFXTZCMCPGZNF-AWEZNQCLSA-N 1 0 285.347 3.269 20 5 CGBDRO C[C@H]1C[C@@H]1C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000488358016 393495650 /nfs/dbraw/zinc/49/56/50/393495650.db2.gz QWXMJUBVPWAHJA-WCQYABFASA-N 1 0 260.337 3.215 20 5 CGBDRO C[C@H]1C[C@@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356809 393496423 /nfs/dbraw/zinc/49/64/23/393496423.db2.gz OAALVAWDCQVURM-WCQYABFASA-N 1 0 260.337 3.215 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000430200065 393538154 /nfs/dbraw/zinc/53/81/54/393538154.db2.gz FFYHVFVTZMTSSC-VXGBXAGGSA-N 1 0 278.352 3.081 20 5 CGBDRO CCC(C)(C)[N@H+](C)Cc1cc(F)ccc1[N+](=O)[O-] ZINC000733997181 572622003 /nfs/dbraw/zinc/62/20/03/572622003.db2.gz SDLCFIQAZUNEHQ-UHFFFAOYSA-N 1 0 254.305 3.354 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[NH2+][C@H]1CC2CCC1CC2 ZINC000433060926 393680425 /nfs/dbraw/zinc/68/04/25/393680425.db2.gz ICQAAQQLEMPIRB-MGULZYLOSA-N 1 0 278.327 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2CC[C@@H](C3CC3)C2)cc1 ZINC000491116496 393666875 /nfs/dbraw/zinc/66/68/75/393666875.db2.gz JUAHJMZVUUGZAK-CQSZACIVSA-N 1 0 290.363 3.096 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])c(OC(C)(C)C)c1)[NH+](C)C ZINC000443450752 393758276 /nfs/dbraw/zinc/75/82/76/393758276.db2.gz FWKDLWAXXVSMLC-LLVKDONJSA-N 1 0 295.383 3.134 20 5 CGBDRO CSC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000433205455 393699851 /nfs/dbraw/zinc/69/98/51/393699851.db2.gz FEUSNLGZBUFTIB-XQRVVYSFSA-N 1 0 278.377 3.093 20 5 CGBDRO C[C@H]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708522 393790534 /nfs/dbraw/zinc/79/05/34/393790534.db2.gz RKKFWXBQDLDDKZ-WDEREUQCSA-N 1 0 288.351 3.092 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1F ZINC000500407959 393826956 /nfs/dbraw/zinc/82/69/56/393826956.db2.gz MJTGCDVBYUTOFY-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000501775649 393860946 /nfs/dbraw/zinc/86/09/46/393860946.db2.gz MCKOAVPCNCYPAO-QWHCGFSZSA-N 1 0 262.353 3.115 20 5 CGBDRO Cc1ccc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000449593243 393916130 /nfs/dbraw/zinc/91/61/30/393916130.db2.gz ZOFFQVGZAOJTIQ-CQSZACIVSA-N 1 0 294.395 3.132 20 5 CGBDRO CCC1(C[NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)COC1 ZINC000449605097 393918168 /nfs/dbraw/zinc/91/81/68/393918168.db2.gz MARAQPVZGXXBTE-QPEQYQDCSA-N 1 0 290.363 3.014 20 5 CGBDRO CCC[C@H](C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453248009 394219220 /nfs/dbraw/zinc/21/92/20/394219220.db2.gz KNFWBZSUJIJQGU-ZBFHGGJFSA-N 1 0 292.379 3.377 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@@H](C)C(C)C ZINC000489197576 397707927 /nfs/dbraw/zinc/70/79/27/397707927.db2.gz OJJJWUZPKUXWJS-LBPRGKRZSA-N 1 0 280.368 3.470 20 5 CGBDRO CCCC[N@H+](CC)CCc1ccc([N+](=O)[O-])cc1 ZINC000076908435 287036612 /nfs/dbraw/zinc/03/66/12/287036612.db2.gz NJBKAMLIJFDZDI-UHFFFAOYSA-N 1 0 250.342 3.259 20 5 CGBDRO C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000063302438 165031879 /nfs/dbraw/zinc/03/18/79/165031879.db2.gz DCEKBTYOKZOZII-JTQLQIEISA-N 1 0 254.355 3.278 20 5 CGBDRO CCC[C@@H]([NH2+]CCn1cc([N+](=O)[O-])cn1)C1CCCCC1 ZINC000090538819 287102404 /nfs/dbraw/zinc/10/24/04/287102404.db2.gz XTOHNVPNAJCBKT-OAHLLOKOSA-N 1 0 294.399 3.130 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1cccc([N+](=O)[O-])c1 ZINC000091099619 165258062 /nfs/dbraw/zinc/25/80/62/165258062.db2.gz KBSFZFLIARYLBR-GFCCVEGCSA-N 1 0 268.382 3.168 20 5 CGBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093443122 287116678 /nfs/dbraw/zinc/11/66/78/287116678.db2.gz IOZDWFDVEYWRBX-OKILXGFUSA-N 1 0 260.337 3.135 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000121982799 287205218 /nfs/dbraw/zinc/20/52/18/287205218.db2.gz KKCBAKPODFSQPQ-ZWNOBZJWSA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)c1ccccn1 ZINC000020123942 171005815 /nfs/dbraw/zinc/00/58/15/171005815.db2.gz IYRYVFLHNBWFTO-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1c(C[NH2+]CCc2cccs2)cccc1[N+](=O)[O-] ZINC000035648754 172325214 /nfs/dbraw/zinc/32/52/14/172325214.db2.gz JYLZAUICLPKSMM-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000035677614 172348468 /nfs/dbraw/zinc/34/84/68/172348468.db2.gz HYTLXXLSKUHVAL-DOMZBBRYSA-N 1 0 262.353 3.306 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044519 174052317 /nfs/dbraw/zinc/05/23/17/174052317.db2.gz WINRYQMEXNWAKA-CZUORRHYSA-N 1 0 292.379 3.452 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000038044518 174052371 /nfs/dbraw/zinc/05/23/71/174052371.db2.gz WINRYQMEXNWAKA-CJNGLKHVSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1nc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)cs1 ZINC000040675983 174373975 /nfs/dbraw/zinc/37/39/75/174373975.db2.gz ZZOVSJTZSPCFJC-JTQLQIEISA-N 1 0 291.376 3.253 20 5 CGBDRO Cc1ccc(C[NH2+]CCOCCC(C)C)cc1[N+](=O)[O-] ZINC000045094186 175306673 /nfs/dbraw/zinc/30/66/73/175306673.db2.gz SRUJBWUBFIKAJU-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO C[N@H+](CCOc1ccccc1)Cc1cccc([N+](=O)[O-])c1 ZINC000301603510 262215058 /nfs/dbraw/zinc/21/50/58/262215058.db2.gz ALGXMNNSGIGBDS-UHFFFAOYSA-N 1 0 286.331 3.106 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000036878825 270028316 /nfs/dbraw/zinc/02/83/16/270028316.db2.gz HAAJVWKVSDPENJ-KRWDZBQOSA-N 1 0 282.343 3.414 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1Cl ZINC000044572474 270037059 /nfs/dbraw/zinc/03/70/59/270037059.db2.gz XQEVAESOOOVAID-JTQLQIEISA-N 1 0 285.775 3.390 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C/C=C\c2ccccc2)cc1 ZINC000220550499 270085974 /nfs/dbraw/zinc/08/59/74/270085974.db2.gz VFHZYUPRCYZJFD-DAXSKMNVSA-N 1 0 282.343 3.440 20 5 CGBDRO CC[C@H]([NH2+]C[C@@](C)(CC)OC)c1cccc([N+](=O)[O-])c1 ZINC000322611074 270093859 /nfs/dbraw/zinc/09/38/59/270093859.db2.gz KVKGHBZRPZVNFK-LSDHHAIUSA-N 1 0 280.368 3.451 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H](C2CC2)C2CCC2)cc1 ZINC000324639093 270094576 /nfs/dbraw/zinc/09/45/76/270094576.db2.gz CHPJMQCWJWMQLO-OAHLLOKOSA-N 1 0 260.337 3.263 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000520843042 270099161 /nfs/dbraw/zinc/09/91/61/270099161.db2.gz HMIFPGDADMMYCO-LBPRGKRZSA-N 1 0 290.363 3.237 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)c1ccccc1[N+](=O)[O-])c1cccnc1 ZINC000091957503 274260491 /nfs/dbraw/zinc/26/04/91/274260491.db2.gz ZJOHFBVGKFURLG-VXGBXAGGSA-N 1 0 271.320 3.402 20 5 CGBDRO CCC1(O)CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000352555494 275965723 /nfs/dbraw/zinc/96/57/23/275965723.db2.gz NVFOZINSZJWEDD-ZDUSSCGKSA-N 1 0 292.379 3.201 20 5 CGBDRO CC[N@@H+]1CC[C@@H](N(C)c2cc(C)ccc2[N+](=O)[O-])C[C@H]1C ZINC000447073233 276214137 /nfs/dbraw/zinc/21/41/37/276214137.db2.gz SNBYMYDLCHPCSN-ZIAGYGMSSA-N 1 0 291.395 3.212 20 5 CGBDRO CCOC[C@H]1CCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000459708457 276333895 /nfs/dbraw/zinc/33/38/95/276333895.db2.gz JVCMSVDDKXBIOW-MRXNPFEDSA-N 1 0 292.379 3.028 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000453249474 276533567 /nfs/dbraw/zinc/53/35/67/276533567.db2.gz UIUVQRAYMSNEHC-CORIIIEPSA-N 1 0 278.352 3.061 20 5 CGBDRO COC[C@]1(C)CC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000296567337 277269017 /nfs/dbraw/zinc/26/90/17/277269017.db2.gz CXNCCMIWCCBSDQ-IUODEOHRSA-N 1 0 278.352 3.014 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000414202470 277550312 /nfs/dbraw/zinc/55/03/12/277550312.db2.gz MVLLSBLUGHCOQM-LRDDRELGSA-N 1 0 292.379 3.234 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H]1C ZINC000395103085 288005637 /nfs/dbraw/zinc/00/56/37/288005637.db2.gz ALDSXESFRMSKQP-VYUIOLGVSA-N 1 0 268.744 3.382 20 5 CGBDRO C[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)CC(F)(F)F ZINC000396912438 288017900 /nfs/dbraw/zinc/01/79/00/288017900.db2.gz QCDIWHWQILVUOI-SECBINFHSA-N 1 0 276.258 3.273 20 5 CGBDRO Cc1c(C[NH2+][C@@H](C)[C@@H]2CC2(C)C)cccc1[N+](=O)[O-] ZINC000397808332 288030977 /nfs/dbraw/zinc/03/09/77/288030977.db2.gz SHSUNJAVYQXHGF-AAEUAGOBSA-N 1 0 262.353 3.427 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000397934920 288035386 /nfs/dbraw/zinc/03/53/86/288035386.db2.gz RLUULMUJNHSGNN-GVXVVHGQSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H]([NH2+]CC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000182763330 278348420 /nfs/dbraw/zinc/34/84/20/278348420.db2.gz QMSQWLGHHYNQAQ-IUODEOHRSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC2(CCC2)C1)c1ccccc1[N+](=O)[O-] ZINC000268961356 278373719 /nfs/dbraw/zinc/37/37/19/278373719.db2.gz LHSWFRXFKYAJFU-CHWSQXEVSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192615074 278383500 /nfs/dbraw/zinc/38/35/00/278383500.db2.gz SSVLCDVNVFGUDA-BMIGLBTASA-N 1 0 260.337 3.360 20 5 CGBDRO C[C@]1([NH2+]Cc2ccc([N+](=O)[O-])cc2F)CC=CCC1 ZINC000398259049 288041651 /nfs/dbraw/zinc/04/16/51/288041651.db2.gz BXFHBYYUYXABHC-AWEZNQCLSA-N 1 0 264.300 3.322 20 5 CGBDRO CC(C)CC[NH+](CCC(C)C)CCn1cc([N+](=O)[O-])cn1 ZINC000472438417 288105021 /nfs/dbraw/zinc/10/50/21/288105021.db2.gz HCONRPHWSNAYLR-UHFFFAOYSA-N 1 0 296.415 3.186 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCCC[C@H]1F ZINC000414306044 279382290 /nfs/dbraw/zinc/38/22/90/279382290.db2.gz GFLSMMQKCODZSK-MRVWCRGKSA-N 1 0 280.343 3.396 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430214534 281107053 /nfs/dbraw/zinc/10/70/53/281107053.db2.gz ZVEJSFKETSJWEC-YPMHNXCESA-N 1 0 278.352 3.366 20 5 CGBDRO CC(C)[N@@H+](Cc1csc([N+](=O)[O-])c1)CC1CC1 ZINC000533352897 288377351 /nfs/dbraw/zinc/37/73/51/288377351.db2.gz NAXQMTDAQVEJAU-UHFFFAOYSA-N 1 0 254.355 3.277 20 5 CGBDRO CC(C)[N@H+](CCOc1ccc([N+](=O)[O-])cc1)CC1CC1 ZINC000533495131 288383526 /nfs/dbraw/zinc/38/35/26/288383526.db2.gz ZDQNKWIJHHKZTE-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)C(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000540481220 288657144 /nfs/dbraw/zinc/65/71/44/288657144.db2.gz WXDCSFFFAUKYLG-RKDXNWHRSA-N 1 0 276.258 3.444 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CC=C(C)CC2)cccc1[N+](=O)[O-] ZINC000550900866 289090342 /nfs/dbraw/zinc/09/03/42/289090342.db2.gz VLIODSFYNFSPSL-AWEZNQCLSA-N 1 0 260.337 3.492 20 5 CGBDRO C[C@H](c1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896515 290242058 /nfs/dbraw/zinc/24/20/58/290242058.db2.gz GNQXACFBOOHHNI-CJNGLKHVSA-N 1 0 290.363 3.158 20 5 CGBDRO CCC(CC)[C@@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000162220313 321879573 /nfs/dbraw/zinc/87/95/73/321879573.db2.gz QWEPZISJZHHOIV-WBMJQRKESA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@H]([NH2+]CCN(C)c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000173308271 321946589 /nfs/dbraw/zinc/94/65/89/321946589.db2.gz BTPXURHSELKXBL-AWEZNQCLSA-N 1 0 299.374 3.382 20 5 CGBDRO CC(C)O[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000566242882 322110855 /nfs/dbraw/zinc/11/08/55/322110855.db2.gz PJLKTRVWMYIURY-ZQMJAJRESA-N 1 0 290.363 3.107 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000566475926 322125116 /nfs/dbraw/zinc/12/51/16/322125116.db2.gz QXAJXCYZMMKCOY-SDJAHQOYSA-N 1 0 272.348 3.360 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000584167494 327055102 /nfs/dbraw/zinc/05/51/02/327055102.db2.gz NZXUOXOEJAYFCR-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])cc1 ZINC000582497435 329101953 /nfs/dbraw/zinc/10/19/53/329101953.db2.gz TXAUTZGUOKMVIB-INIZCTEOSA-N 1 0 298.342 3.381 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCOc1ccccc1 ZINC000584361121 329102344 /nfs/dbraw/zinc/10/23/44/329102344.db2.gz DCTRVQVUGSICQD-MRXNPFEDSA-N 1 0 298.342 3.251 20 5 CGBDRO CS[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000578397309 335626870 /nfs/dbraw/zinc/62/68/70/335626870.db2.gz VAMCKVVLEFRCCS-ZDUSSCGKSA-N 1 0 282.409 3.462 20 5 CGBDRO C[C@@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCS1 ZINC000579611497 335821993 /nfs/dbraw/zinc/82/19/93/335821993.db2.gz MKHISMDVFJESHQ-ZFWWWQNUSA-N 1 0 292.404 3.457 20 5 CGBDRO C[C@H]1C[C@@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000581064555 336002577 /nfs/dbraw/zinc/00/25/77/336002577.db2.gz OCNZUOZIFKJMDF-QWHCGFSZSA-N 1 0 290.363 3.094 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CC)[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000386720765 336177471 /nfs/dbraw/zinc/17/74/71/336177471.db2.gz RZEMFYMCZVABTL-UGFHNGPFSA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178432754 533943824 /nfs/dbraw/zinc/94/38/24/533943824.db2.gz GFXMXATVSNITQH-OLZOCXBDSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC=CCC1 ZINC000449160675 534254196 /nfs/dbraw/zinc/25/41/96/534254196.db2.gz MKGOHLCKEFGMJP-JSGCOSHPSA-N 1 0 260.337 3.224 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccccc1 ZINC000449065226 534254309 /nfs/dbraw/zinc/25/43/09/534254309.db2.gz SOGRTPZNIYNDEN-AWEZNQCLSA-N 1 0 284.359 3.358 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC1(C)C ZINC000449148007 534254436 /nfs/dbraw/zinc/25/44/36/534254436.db2.gz SDVMVPLTVGOFAK-AAEUAGOBSA-N 1 0 262.353 3.162 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CSC1(C)C ZINC000449315066 534254557 /nfs/dbraw/zinc/25/45/57/534254557.db2.gz SYSHMEFTPWQZPX-GXFFZTMASA-N 1 0 280.393 3.009 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@@H](O)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000163961431 520776334 /nfs/dbraw/zinc/77/63/34/520776334.db2.gz FICREUBOHINWNG-APHBMKBZSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@@H](NCC[N@H+](CC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000156625630 522834385 /nfs/dbraw/zinc/83/43/85/522834385.db2.gz WPSYVENKKODECF-MRXNPFEDSA-N 1 0 293.411 3.366 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](COC)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000086695624 522921517 /nfs/dbraw/zinc/92/15/17/522921517.db2.gz UHDRVTYLXISVOY-CABCVRRESA-N 1 0 280.368 3.307 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000085971100 525924872 /nfs/dbraw/zinc/92/48/72/525924872.db2.gz FCIJAQPSVAGNIX-BJJXKVORSA-N 1 0 292.379 3.105 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CC2 ZINC000424319534 534887637 /nfs/dbraw/zinc/88/76/37/534887637.db2.gz ILNXZSAGAZHRLO-BJJXKVORSA-N 1 0 286.375 3.448 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC12CC2 ZINC000418105984 527529018 /nfs/dbraw/zinc/52/90/18/527529018.db2.gz YRDDWFKDOPFUTC-GMMCIKNFSA-N 1 0 272.348 3.388 20 5 CGBDRO CCC[NH+](CCC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000441181220 528060087 /nfs/dbraw/zinc/06/00/87/528060087.db2.gz HRMOIJKOHYRTCG-UHFFFAOYSA-N 1 0 296.367 3.104 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000358163912 529220865 /nfs/dbraw/zinc/22/08/65/529220865.db2.gz HWLWMSAGVOVPSH-HUUCEWRRSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000516846966 535811193 /nfs/dbraw/zinc/81/11/93/535811193.db2.gz DSOKTHUREXGISR-ZBFHGGJFSA-N 1 0 292.379 3.113 20 5 CGBDRO CC[C@H](C)[C@@H]1CCCC[N@@H+]1Cn1nc(C)c([N+](=O)[O-])c1C ZINC000738055004 572364122 /nfs/dbraw/zinc/36/41/22/572364122.db2.gz LUFVIRUHRHEIQD-FZMZJTMJSA-N 1 0 294.399 3.266 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000891442667 618211419 /nfs/dbraw/zinc/21/14/19/618211419.db2.gz AGHRIFHLHNJKNP-LBPRGKRZSA-N 1 0 294.351 3.074 20 5 CGBDRO C[C@@H]1COC[C@@H](C)C1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000925514996 619008503 /nfs/dbraw/zinc/00/85/03/619008503.db2.gz RFLZGDLMYIXYBD-NXEZZACHSA-N 1 0 298.770 3.009 20 5 CGBDRO C[C@H](CNc1cc(Cl)ccc1[N+](=O)[O-])[N@H+](C)C1CC1 ZINC000220126964 619096077 /nfs/dbraw/zinc/09/60/77/619096077.db2.gz KMEVNIMZGMHWST-SECBINFHSA-N 1 0 283.759 3.143 20 5 CGBDRO CCCSC[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000893330214 619101923 /nfs/dbraw/zinc/10/19/23/619101923.db2.gz XCZPMCUCJKAFCV-NSHDSACASA-N 1 0 268.382 3.216 20 5 CGBDRO CC(C)[N@H+](C)CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000111290946 619190925 /nfs/dbraw/zinc/19/09/25/619190925.db2.gz MYGNPHMPHULKPK-UHFFFAOYSA-N 1 0 287.310 3.285 20 5 CGBDRO CC[C@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774272 619262832 /nfs/dbraw/zinc/26/28/32/619262832.db2.gz ZATSGYDXFASXQR-JTQLQIEISA-N 1 0 254.305 3.212 20 5 CGBDRO C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000894420626 619530155 /nfs/dbraw/zinc/53/01/55/619530155.db2.gz VUMIKHUOUZLZHH-WDEREUQCSA-N 1 0 298.770 3.010 20 5 CGBDRO C[C@H](O)C[NH2+]Cc1c2ccccc2cc2ccccc21 ZINC000049217168 619713010 /nfs/dbraw/zinc/71/30/10/619713010.db2.gz KXXDFHDGMOEVGW-ZDUSSCGKSA-N 1 0 265.356 3.463 20 5 CGBDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)CCS1 ZINC000896952366 620112256 /nfs/dbraw/zinc/11/22/56/620112256.db2.gz OONWLOPXUXMNDO-AAEUAGOBSA-N 1 0 280.393 3.011 20 5 CGBDRO C[N@H+](CCO)Cc1c2ccccc2cc2ccccc21 ZINC000144752406 620221482 /nfs/dbraw/zinc/22/14/82/620221482.db2.gz RCWZNNHNMMJWAN-UHFFFAOYSA-N 1 0 265.356 3.417 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCCCC2)cc1Cl ZINC000109793178 620323788 /nfs/dbraw/zinc/32/37/88/620323788.db2.gz YNSZUMWHDUMSED-UHFFFAOYSA-N 1 0 284.743 3.113 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000897464364 620339847 /nfs/dbraw/zinc/33/98/47/620339847.db2.gz LVINWMBLSMCDMH-MGPQQGTHSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@@H](C[NH2+][C@H](C)C1CCOCC1)c1ccccc1[N+](=O)[O-] ZINC000897463158 620339963 /nfs/dbraw/zinc/33/99/63/620339963.db2.gz BYFSMCZWIHYFPB-QWHCGFSZSA-N 1 0 292.379 3.103 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCCO1)c1ccccc1[N+](=O)[O-] ZINC000897460244 620340183 /nfs/dbraw/zinc/34/01/83/620340183.db2.gz GCDNGJUFFFHVMU-WWGRRREGSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H](C[NH2+][C@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000897461072 620340220 /nfs/dbraw/zinc/34/02/20/620340220.db2.gz YJIQBMIYPKVLIU-STQMWFEESA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@H](C[NH2+][C@H]1CS[C@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897465018 620340538 /nfs/dbraw/zinc/34/05/38/620340538.db2.gz QKVNRYMRYSJUQU-IJLUTSLNSA-N 1 0 280.393 3.182 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCC[C@@H]2CCCO)cc1 ZINC000925312554 620397567 /nfs/dbraw/zinc/39/75/67/620397567.db2.gz HWRFDNABOJRCLF-ZBFHGGJFSA-N 1 0 292.379 3.016 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CCCCO1)c1cccc([N+](=O)[O-])c1 ZINC000927021336 620563029 /nfs/dbraw/zinc/56/30/29/620563029.db2.gz MVRLHZWHFUNPLT-WFASDCNBSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000927160185 620613825 /nfs/dbraw/zinc/61/38/25/620613825.db2.gz AIDJXZRXJCFSBM-IUODEOHRSA-N 1 0 290.363 3.347 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000042555322 621177343 /nfs/dbraw/zinc/17/73/43/621177343.db2.gz ROLPDTNKTYUIQO-CMPLNLGQSA-N 1 0 250.342 3.427 20 5 CGBDRO CNc1ccc(C)cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000902422925 621312916 /nfs/dbraw/zinc/31/29/16/621312916.db2.gz GRHYAUTUWCRHFQ-UHFFFAOYSA-N 1 0 299.374 3.277 20 5 CGBDRO CNc1ccccc1C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902461790 621336541 /nfs/dbraw/zinc/33/65/41/621336541.db2.gz RVPFXIBWWHFMCJ-LBPRGKRZSA-N 1 0 285.347 3.487 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C2CCCC2)cc([N+](=O)[O-])c1 ZINC000903056044 621544902 /nfs/dbraw/zinc/54/49/02/621544902.db2.gz PYDJTIGCSPOERN-SNVBAGLBSA-N 1 0 264.325 3.197 20 5 CGBDRO CCSCCC[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1 ZINC000903168213 621617788 /nfs/dbraw/zinc/61/77/88/621617788.db2.gz UUWJCZWOLRHFMJ-NSHDSACASA-N 1 0 298.408 3.397 20 5 CGBDRO CCC[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000903302508 621668248 /nfs/dbraw/zinc/66/82/48/621668248.db2.gz BTAXYKVGNCDBHL-MAZHCROVSA-N 1 0 291.395 3.118 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)C(C)(C)OC ZINC000903332615 621707018 /nfs/dbraw/zinc/70/70/18/621707018.db2.gz TWLODDKPOJJHCH-GHMZBOCLSA-N 1 0 296.367 3.068 20 5 CGBDRO Cc1ccc(-c2cnc([C@@H]3CCCC[NH2+]3)nc2)cc1[N+](=O)[O-] ZINC000906171665 622167544 /nfs/dbraw/zinc/16/75/44/622167544.db2.gz CQKSMEXJQGQAOC-AWEZNQCLSA-N 1 0 298.346 3.175 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000045116937 622844066 /nfs/dbraw/zinc/84/40/66/622844066.db2.gz HWWDBAGIXUDNOS-NSHDSACASA-N 1 0 254.717 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC2CCOCC2)c1 ZINC000312268422 623499269 /nfs/dbraw/zinc/49/92/69/623499269.db2.gz MEJSXOVEPJRTBR-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO COc1ccc(C[NH2+]C(C)(C)/C=C\Cl)cc1[N+](=O)[O-] ZINC000922649843 626026308 /nfs/dbraw/zinc/02/63/08/626026308.db2.gz ZMJBYHUMCBUUQE-SREVYHEPSA-N 1 0 284.743 3.224 20 5 CGBDRO CC(C)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000755994507 626667062 /nfs/dbraw/zinc/66/70/62/626667062.db2.gz HYRXRCFYSYYUQF-LLVKDONJSA-N 1 0 266.316 3.212 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]CCN2CCC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000766270432 627308779 /nfs/dbraw/zinc/30/87/79/627308779.db2.gz BYNYXACYFIUMHL-GXTWGEPZSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CCC(C)(O)CC1 ZINC000766478312 627335646 /nfs/dbraw/zinc/33/56/46/627335646.db2.gz ISLIHUSMOWAUAM-FUJMWEONSA-N 1 0 292.379 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCOC1CCC1 ZINC000777122623 628250839 /nfs/dbraw/zinc/25/08/39/628250839.db2.gz XTARXQQURBVJTQ-GFCCVEGCSA-N 1 0 278.352 3.123 20 5 CGBDRO C[C@H](C1CC1)[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000782186408 628622499 /nfs/dbraw/zinc/62/24/99/628622499.db2.gz JTSMJFXXFOMABY-GFCCVEGCSA-N 1 0 290.363 3.237 20 5 CGBDRO C[C@H]1CC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000783253936 628695453 /nfs/dbraw/zinc/69/54/53/628695453.db2.gz MISQTIWSPNCXBY-WFASDCNBSA-N 1 0 262.353 3.306 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783652730 628735893 /nfs/dbraw/zinc/73/58/93/628735893.db2.gz QAXYHVBBGHCORY-BXUZGUMPSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)C1(C[NH2+][C@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000788668398 629071777 /nfs/dbraw/zinc/07/17/77/629071777.db2.gz KFPGZBIUJJJLRJ-LLVKDONJSA-N 1 0 277.368 3.264 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792862517 629388572 /nfs/dbraw/zinc/38/85/72/629388572.db2.gz MCOYAOOXZPXFFK-GFCCVEGCSA-N 1 0 293.323 3.268 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792875047 629389524 /nfs/dbraw/zinc/38/95/24/629389524.db2.gz XNAXJVDLGOXDKS-JQWIXIFHSA-N 1 0 293.323 3.266 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000865734282 630606876 /nfs/dbraw/zinc/60/68/76/630606876.db2.gz QXLOZYTVDQYLDW-INJBESJKSA-N 1 0 278.377 3.092 20 5 CGBDRO C[C@H]([NH2+]Cc1cccc(F)c1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815555867 631793961 /nfs/dbraw/zinc/79/39/61/631793961.db2.gz JIQASALJFMBRCQ-JTQLQIEISA-N 1 0 289.310 3.167 20 5 CGBDRO C[C@H](CC(F)(F)F)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815616960 631806548 /nfs/dbraw/zinc/80/65/48/631806548.db2.gz BNWKXXLLBSJYJO-HTQZYQBOSA-N 1 0 291.273 3.169 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccco1 ZINC000866215719 633032047 /nfs/dbraw/zinc/03/20/47/633032047.db2.gz LMPSKKUNEMXGOI-NSHDSACASA-N 1 0 292.310 3.090 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]Cc1ccnc(F)c1 ZINC000866474648 633149342 /nfs/dbraw/zinc/14/93/42/633149342.db2.gz YQXGTNUTWLPEOI-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000866486383 633155944 /nfs/dbraw/zinc/15/59/44/633155944.db2.gz FWAQTOBRWMHFDJ-GVXVVHGQSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880148120 635925610 /nfs/dbraw/zinc/92/56/10/635925610.db2.gz RMHUNIJDIOYULG-CHWSQXEVSA-N 1 0 292.379 3.057 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000122566546 633440885 /nfs/dbraw/zinc/44/08/85/633440885.db2.gz HVVMFKWFDSDWQX-CVEARBPZSA-N 1 0 294.395 3.433 20 5 CGBDRO [NH3+]CCCCCCCOc1ccc([N+](=O)[O-])c(F)c1 ZINC000830333742 633851751 /nfs/dbraw/zinc/85/17/51/633851751.db2.gz HRWGARXGEGGURB-UHFFFAOYSA-N 1 0 270.304 3.022 20 5 CGBDRO CC(C)OCCC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018031 633938839 /nfs/dbraw/zinc/93/88/39/633938839.db2.gz HSZPIFFQDFTHGQ-LLVKDONJSA-N 1 0 284.331 3.200 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+]Cc2cc(F)ccc2[N+](=O)[O-])C1(C)C ZINC000831339707 633943801 /nfs/dbraw/zinc/94/38/01/633943801.db2.gz VSLDRJSBFUNEBJ-DZGCQCFKSA-N 1 0 296.342 3.027 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030793 633949177 /nfs/dbraw/zinc/94/91/77/633949177.db2.gz CHGADZVQMKXDSP-NEPJUHHUSA-N 1 0 297.374 3.115 20 5 CGBDRO C[C@@H]([NH2+]CC(C)(C)CCCO)c1c(F)cccc1[N+](=O)[O-] ZINC000872048098 633970654 /nfs/dbraw/zinc/97/06/54/633970654.db2.gz XLSXYCCRDXUJLZ-LLVKDONJSA-N 1 0 298.358 3.183 20 5 CGBDRO C[C@H]([NH2+][C@H]1CSC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071903 633993189 /nfs/dbraw/zinc/99/31/89/633993189.db2.gz ZRMFQBOOSFJRBR-QXEWZRGKSA-N 1 0 284.356 3.136 20 5 CGBDRO CCOCC(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872073360 633995257 /nfs/dbraw/zinc/99/52/57/633995257.db2.gz PHKQVSLWFNJNCQ-LLVKDONJSA-N 1 0 298.358 3.447 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000872081621 634006881 /nfs/dbraw/zinc/00/68/81/634006881.db2.gz IMWOKIRUTVCEAH-NSHDSACASA-N 1 0 296.342 3.201 20 5 CGBDRO C[C@@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086395 634011641 /nfs/dbraw/zinc/01/16/41/634011641.db2.gz VROZAHXIZCAGOD-PRHODGIISA-N 1 0 288.269 3.430 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872087168 634012923 /nfs/dbraw/zinc/01/29/23/634012923.db2.gz GPTFRWGUMIVSGB-NWDGAFQWSA-N 1 0 296.342 3.201 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc([N+](=O)[O-])c1 ZINC000872109081 634033098 /nfs/dbraw/zinc/03/30/98/634033098.db2.gz GTUDUNSWSLNDNR-YOENINGUSA-N 1 0 290.363 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1ccoc1 ZINC000873020364 634232129 /nfs/dbraw/zinc/23/21/29/634232129.db2.gz PMROLZZCFJSBSN-UHFFFAOYSA-N 1 0 260.293 3.094 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000873136967 634256250 /nfs/dbraw/zinc/25/62/50/634256250.db2.gz MLFODSPLKZQXPQ-ZDUSSCGKSA-N 1 0 290.363 3.013 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834914546 634286276 /nfs/dbraw/zinc/28/62/76/634286276.db2.gz NMVNISMZHZLSIU-LLVKDONJSA-N 1 0 295.383 3.033 20 5 CGBDRO CCCC[C@H](CC)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876889087 634921285 /nfs/dbraw/zinc/92/12/85/634921285.db2.gz YJPOSTWEBCCMAI-HSBZDZAISA-N 1 0 294.399 3.301 20 5 CGBDRO CC[C@@H](C)[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000877558101 635089183 /nfs/dbraw/zinc/08/91/83/635089183.db2.gz WLFAFYBVTQOTMR-XUJVJEKNSA-N 1 0 280.368 3.307 20 5 CGBDRO CC(C)OC1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000877806083 635209649 /nfs/dbraw/zinc/20/96/49/635209649.db2.gz CYNDUQPEWOHSTK-UHFFFAOYSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842930493 635514527 /nfs/dbraw/zinc/51/45/27/635514527.db2.gz VNIQOHWKYKEMQX-XYJRDEOASA-N 1 0 275.352 3.016 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1cccc([N+](=O)[O-])c1 ZINC000880512596 636012491 /nfs/dbraw/zinc/01/24/91/636012491.db2.gz SJWAAJNKTIXZMC-MAZHCROVSA-N 1 0 290.363 3.347 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@]12CCCO2)c1ccccc1[N+](=O)[O-] ZINC000880509586 636012705 /nfs/dbraw/zinc/01/27/05/636012705.db2.gz WBOIUYLZXDWVBP-MAZHCROVSA-N 1 0 290.363 3.347 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)OC1 ZINC000883243627 636611213 /nfs/dbraw/zinc/61/12/13/636611213.db2.gz QWSBLCWCZRFHNK-ZDUSSCGKSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@@H]1C=CCC1 ZINC000883245435 636614057 /nfs/dbraw/zinc/61/40/57/636614057.db2.gz LKJVZKBBLSOJTD-VXGBXAGGSA-N 1 0 278.327 3.221 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2C=CCC2)cc1[N+](=O)[O-] ZINC000850507241 637094375 /nfs/dbraw/zinc/09/43/75/637094375.db2.gz DTXBBADXDUCIIJ-WCQYABFASA-N 1 0 276.336 3.363 20 5 CGBDRO CSCC[C@@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135796867 637177861 /nfs/dbraw/zinc/17/78/61/637177861.db2.gz ALUUULDOODVKLT-GHMZBOCLSA-N 1 0 268.382 3.387 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039232 637380269 /nfs/dbraw/zinc/38/02/69/637380269.db2.gz IFSXSKAWJYJQBW-ZDUSSCGKSA-N 1 0 277.368 3.248 20 5 CGBDRO Cc1ccccc1[C@@H](C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886104590 637414658 /nfs/dbraw/zinc/41/46/58/637414658.db2.gz GPFZPPFDUBVIQX-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cc1 ZINC000886319726 637499873 /nfs/dbraw/zinc/49/98/73/637499873.db2.gz NGGMHPVVYVZWHA-OAHLLOKOSA-N 1 0 290.363 3.034 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)cc1[N+](=O)[O-] ZINC000853232125 637789132 /nfs/dbraw/zinc/78/91/32/637789132.db2.gz SIYQOGSGPDPQBB-JTQLQIEISA-N 1 0 295.770 3.205 20 5 CGBDRO CC[N@@H+]1CCN(c2ccc(C(F)F)cc2[N+](=O)[O-])C[C@H]1C ZINC000853457663 637848074 /nfs/dbraw/zinc/84/80/74/637848074.db2.gz FFOZHTKJPOGHOK-SNVBAGLBSA-N 1 0 299.321 3.063 20 5 CGBDRO CSCCC[N@H+](C)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000302358722 637898330 /nfs/dbraw/zinc/89/83/30/637898330.db2.gz MAPJNPMMDNTCLZ-UHFFFAOYSA-N 1 0 288.800 3.433 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000112375565 638075081 /nfs/dbraw/zinc/07/50/81/638075081.db2.gz QUFHWNIQBXWQJL-NSHDSACASA-N 1 0 250.342 3.427 20 5 CGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000924954266 638431280 /nfs/dbraw/zinc/43/12/80/638431280.db2.gz GKTOERZPIXQNAW-HOCLYGCPSA-N 1 0 294.395 3.057 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000925312175 638494929 /nfs/dbraw/zinc/49/49/29/638494929.db2.gz XYXSNVKTKSPNOI-OAHLLOKOSA-N 1 0 290.363 3.176 20 5 CGBDRO CC1(C)CC2(CC([NH2+]Cc3ccccc3[N+](=O)[O-])C2)CO1 ZINC000925311155 638495378 /nfs/dbraw/zinc/49/53/78/638495378.db2.gz PEUYAWYHLOROLY-UHFFFAOYSA-N 1 0 290.363 3.032 20 5 CGBDRO CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000926796543 638813015 /nfs/dbraw/zinc/81/30/15/638813015.db2.gz OWHKDLBXNPPQIN-HOCLYGCPSA-N 1 0 294.395 3.323 20 5 CGBDRO C[C@]1(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCCCO1 ZINC000927015178 638831524 /nfs/dbraw/zinc/83/15/24/638831524.db2.gz RGRZJXYAZCDLTR-GOEBONIOSA-N 1 0 290.363 3.131 20 5 CGBDRO CCC[C@@H](O)CC[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000927017409 638832381 /nfs/dbraw/zinc/83/23/81/638832381.db2.gz KZOFMJBUTICEKX-UKRRQHHQSA-N 1 0 294.395 3.057 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000932176624 639287335 /nfs/dbraw/zinc/28/73/35/639287335.db2.gz KDIUDZFQANVKAF-OYNZBZHQSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094774161 640802679 /nfs/dbraw/zinc/80/26/79/640802679.db2.gz ZMWBPRALXGYNJR-QWRGUYRKSA-N 1 0 266.316 3.497 20 5 CGBDRO Cc1cnc(-n2ccc3cc([C@@H](C)[NH3+])ccc32)c([N+](=O)[O-])c1 ZINC001155339157 805574008 /nfs/dbraw/zinc/57/40/08/805574008.db2.gz GQNPCEJJUYRXPR-LLVKDONJSA-N 1 0 296.330 3.262 20 5 CGBDRO C[NH+]1C(C)(C)CC(Nc2cccc([N+](=O)[O-])n2)CC1(C)C ZINC001159391806 806094060 /nfs/dbraw/zinc/09/40/60/806094060.db2.gz PMYXBCZFHGBBSJ-UHFFFAOYSA-N 1 0 292.383 3.053 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1Nc1ccc2c(c1)C[NH2+]C2 ZINC001159470890 806107992 /nfs/dbraw/zinc/10/79/92/806107992.db2.gz PGXYICXYGSWCRR-UHFFFAOYSA-N 1 0 273.267 3.081 20 5 CGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccc3c(c2)C[NH2+]C3)c1 ZINC001159472613 806108903 /nfs/dbraw/zinc/10/89/03/806108903.db2.gz NNNXQSSYRIBWHG-UHFFFAOYSA-N 1 0 273.267 3.081 20 5 CGBDRO O=[N+]([O-])c1cc(Nc2cccc3c2CC[NH2+]C3)ccc1F ZINC001159548162 806121285 /nfs/dbraw/zinc/12/12/85/806121285.db2.gz YTCWIVZDBCMABX-UHFFFAOYSA-N 1 0 287.294 3.123 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc(O[C@H]3CC[NH2+]C3)cc2)cc1 ZINC001159919536 806199404 /nfs/dbraw/zinc/19/94/04/806199404.db2.gz MKVJCVXTCQKMAR-INIZCTEOSA-N 1 0 299.330 3.079 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1c(F)cc([N+](=O)[O-])cc1F ZINC001253442354 806219575 /nfs/dbraw/zinc/21/95/75/806219575.db2.gz LAISLUMKQPBFMC-STQMWFEESA-N 1 0 299.321 3.158 20 5 CGBDRO C[C@@H]([NH3+])C(=O)N(C)Cc1c2ccccc2cc2ccccc21 ZINC001160739727 806299625 /nfs/dbraw/zinc/29/96/25/806299625.db2.gz WEDKBVBKGCRTLY-CYBMUJFWSA-N 1 0 292.382 3.299 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCC(F)(F)F ZINC001161630398 806404955 /nfs/dbraw/zinc/40/49/55/806404955.db2.gz HPEMSGCBAZOLSB-UHFFFAOYSA-N 1 0 261.311 3.257 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2ncccc21 ZINC001254542427 806446363 /nfs/dbraw/zinc/44/63/63/806446363.db2.gz NBYXTJHLPBCGNZ-MLGOLLRUSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CCCCCC1 ZINC001254551129 806448372 /nfs/dbraw/zinc/44/83/72/806448372.db2.gz YQSOYHBWLRPUTF-CYBMUJFWSA-N 1 0 262.353 3.402 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565359 806451177 /nfs/dbraw/zinc/45/11/77/806451177.db2.gz OPRNKJMWVKGKRU-UKRRQHHQSA-N 1 0 292.379 3.025 20 5 CGBDRO Cc1ncccc1C[N@@H+](C)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254565782 806452014 /nfs/dbraw/zinc/45/20/14/806452014.db2.gz PXNXBXQMCHMRCH-CYBMUJFWSA-N 1 0 299.374 3.361 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)s1 ZINC001254568825 806452600 /nfs/dbraw/zinc/45/26/00/806452600.db2.gz UOBBMKZYHRLWJK-CYBMUJFWSA-N 1 0 288.372 3.222 20 5 CGBDRO CC[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccccn1 ZINC001254576560 806454294 /nfs/dbraw/zinc/45/42/94/806454294.db2.gz XOJPVASHGLLVTC-HOCLYGCPSA-N 1 0 297.358 3.198 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C/C=C/c1ccccc1)C2 ZINC001254580501 806456235 /nfs/dbraw/zinc/45/62/35/806456235.db2.gz DIBCOATVVOCASS-BBOMDTFKSA-N 1 0 294.354 3.365 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C3CCCC1CCC3)C2 ZINC001254609303 806461735 /nfs/dbraw/zinc/46/17/35/806461735.db2.gz VDDMTBFIVMUNMP-VMBOVVBDSA-N 1 0 286.375 3.469 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCc1cccn1C ZINC001162711268 806650318 /nfs/dbraw/zinc/65/03/18/806650318.db2.gz FDUYRMATERIHEA-UHFFFAOYSA-N 1 0 272.416 3.234 20 5 CGBDRO CCCC(C[NH3+])(CCC)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC001163036156 806695114 /nfs/dbraw/zinc/69/51/14/806695114.db2.gz VNARZDIYPIEKLH-UHFFFAOYSA-N 1 0 280.372 3.008 20 5 CGBDRO CCCCOCCC[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000132323741 799031011 /nfs/dbraw/zinc/03/10/11/799031011.db2.gz WBDHOFKMQKFHST-UHFFFAOYSA-N 1 0 280.368 3.200 20 5 CGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311956071 799226825 /nfs/dbraw/zinc/22/68/25/799226825.db2.gz HDYRUCQDFYYVNH-GFCCVEGCSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)sn1 ZINC000404362025 799575548 /nfs/dbraw/zinc/57/55/48/799575548.db2.gz FNORAHOKUITADF-JTQLQIEISA-N 1 0 277.349 3.211 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@H](C)O1 ZINC000686513108 799734434 /nfs/dbraw/zinc/73/44/34/799734434.db2.gz AALVRHZXQAMJIJ-OUAUKWLOSA-N 1 0 298.770 3.151 20 5 CGBDRO CCN(Cc1ccoc1)Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000689133632 799760657 /nfs/dbraw/zinc/76/06/57/799760657.db2.gz CMBHLSCTNYSFDC-UHFFFAOYSA-N 1 0 278.283 3.349 20 5 CGBDRO CCC(C)(C)[C@H](C)[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000695110370 799825166 /nfs/dbraw/zinc/82/51/66/799825166.db2.gz HQCLVADGBDDXGR-SMDDNHRTSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1(Cl)CC1 ZINC000695637704 799830629 /nfs/dbraw/zinc/83/06/29/799830629.db2.gz LADCXCUGXBHKAQ-VHSXEESVSA-N 1 0 268.744 3.405 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C2CC2)cccc1[N+](=O)[O-] ZINC000698988672 799857776 /nfs/dbraw/zinc/85/77/76/799857776.db2.gz WQYFWJPIJPESLJ-KBPBESRZSA-N 1 0 260.337 3.039 20 5 CGBDRO COC1CCC([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000703786390 799930304 /nfs/dbraw/zinc/93/03/04/799930304.db2.gz BOGGQBFCGCCBPC-HIFPTAJRSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+]CCc1ccns1)c1cccc([N+](=O)[O-])c1 ZINC000709966066 800025078 /nfs/dbraw/zinc/02/50/78/800025078.db2.gz FOVUVPGNRFLGTI-AWEZNQCLSA-N 1 0 291.376 3.335 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000716642838 800177589 /nfs/dbraw/zinc/17/75/89/800177589.db2.gz XMNZONWPKPWGHG-YJQGPUDQSA-N 1 0 266.366 3.038 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC[C@H]1CCCCO1 ZINC001165230118 806978985 /nfs/dbraw/zinc/97/89/85/806978985.db2.gz RCEJIBWMFZIJSC-MRXNPFEDSA-N 1 0 277.432 3.264 20 5 CGBDRO C[C@H](CCc1ccccc1)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168956871 807541705 /nfs/dbraw/zinc/54/17/05/807541705.db2.gz GFWYMLKBCSZFCI-VNQPRFMTSA-N 1 0 276.380 3.043 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001168963638 807542922 /nfs/dbraw/zinc/54/29/22/807542922.db2.gz PHMBYICKHPEENE-BXKDBHETSA-N 1 0 286.734 3.014 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168964441 807542939 /nfs/dbraw/zinc/54/29/39/807542939.db2.gz SKIYXZYEXDWLET-COPLHBTASA-N 1 0 282.771 3.436 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CC23CC4CC(CC(C4)C2)C3)C1 ZINC001168967716 807544262 /nfs/dbraw/zinc/54/42/62/807544262.db2.gz SPNNBAGOLCDEAR-YHXWVGAOSA-N 1 0 292.423 3.238 20 5 CGBDRO CCCC[C@H](CC)C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168977725 807544648 /nfs/dbraw/zinc/54/46/48/807544648.db2.gz LMYWTRZRGGROGW-MJBXVCDLSA-N 1 0 256.390 3.238 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001168976314 807545247 /nfs/dbraw/zinc/54/52/47/807545247.db2.gz CPTUDKWCADMMDM-HUUCEWRRSA-N 1 0 268.401 3.382 20 5 CGBDRO Cc1ccc(C2([NH2+][C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)cc1 ZINC001168979481 807545730 /nfs/dbraw/zinc/54/57/30/807545730.db2.gz YMZNIAKQRQWSSD-DZGCQCFKSA-N 1 0 274.364 3.019 20 5 CGBDRO CCCOc1cccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168978930 807545821 /nfs/dbraw/zinc/54/58/21/807545821.db2.gz VMGTZBPXAMPJIL-GJZGRUSLSA-N 1 0 292.379 3.010 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168985839 807546875 /nfs/dbraw/zinc/54/68/75/807546875.db2.gz VEBIFARZKFUYSC-IPYPFGDCSA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)C1 ZINC001168990862 807547817 /nfs/dbraw/zinc/54/78/17/807547817.db2.gz FCXUVOGHQYFWNM-DIOULYMOSA-N 1 0 292.354 3.238 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2CCCC3(CCCC3)C2)C1 ZINC001169011095 807551433 /nfs/dbraw/zinc/55/14/33/807551433.db2.gz IKEGUWPUUQDOHC-KBPBESRZSA-N 1 0 266.385 3.088 20 5 CGBDRO CC[N@H+]([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169009038 807552057 /nfs/dbraw/zinc/55/20/57/807552057.db2.gz UMPJDMGKDGGBNX-OCCSQVGLSA-N 1 0 254.374 3.086 20 5 CGBDRO CC[N@H+](Cc1cccc(F)c1F)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169047018 807558465 /nfs/dbraw/zinc/55/84/65/807558465.db2.gz PQQYCQWUEJEOND-DGCLKSJQSA-N 1 0 298.333 3.232 20 5 CGBDRO CC[C@@H](C)C[NH2+][C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170293100 807819355 /nfs/dbraw/zinc/81/93/55/807819355.db2.gz KOHXMWMQUDYVFU-VXGBXAGGSA-N 1 0 280.368 3.170 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+][C@H]2C=CCCC2)c([N+](=O)[O-])c1 ZINC001170324533 807825678 /nfs/dbraw/zinc/82/56/78/807825678.db2.gz QRGXFCLMZBITJQ-JSGCOSHPSA-N 1 0 290.363 3.233 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170344402 807827972 /nfs/dbraw/zinc/82/79/72/807827972.db2.gz BTKQFROSSIKTSR-OCCSQVGLSA-N 1 0 292.379 3.409 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(Cl)cc1NC[C@H]1CCCC[NH2+]1 ZINC001171333066 808029616 /nfs/dbraw/zinc/02/96/16/808029616.db2.gz ARYRTUZULBCCQD-STMXVASLSA-N 1 0 295.770 3.141 20 5 CGBDRO CCCC[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183789 808533229 /nfs/dbraw/zinc/53/32/29/808533229.db2.gz JKHZTDGPWDUDOM-LLVKDONJSA-N 1 0 298.358 3.405 20 5 CGBDRO CCC[N@H+](C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173181664 808533553 /nfs/dbraw/zinc/53/35/53/808533553.db2.gz DAYXXTFHHVVPSS-SNVBAGLBSA-N 1 0 284.331 3.015 20 5 CGBDRO COC1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173217864 808538831 /nfs/dbraw/zinc/53/88/31/808538831.db2.gz MTAWPQYKPSXEOG-XEBKBJJBSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCCCC1 ZINC001173213166 808539155 /nfs/dbraw/zinc/53/91/55/808539155.db2.gz FARGLJPWWDTSAO-LBPRGKRZSA-N 1 0 262.353 3.448 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)Cc1ccncc1 ZINC001173226654 808541396 /nfs/dbraw/zinc/54/13/96/808541396.db2.gz NFYHUYXUZZVLQR-CYBMUJFWSA-N 1 0 285.347 3.053 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1ccncc1 ZINC001173227276 808541544 /nfs/dbraw/zinc/54/15/44/808541544.db2.gz PDVXBIRVNPDBLI-CQSZACIVSA-N 1 0 299.374 3.095 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001173232363 808542657 /nfs/dbraw/zinc/54/26/57/808542657.db2.gz FRWGPWMDHNLXMC-DFBGVHRSSA-N 1 0 274.364 3.114 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)CC1 ZINC001173229374 808542698 /nfs/dbraw/zinc/54/26/98/808542698.db2.gz TWPNBIOJSXPYSW-ZDUSSCGKSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC2CCC1CC2 ZINC001173235716 808545012 /nfs/dbraw/zinc/54/50/12/808545012.db2.gz YUXADZQYNPNIRF-LRVUVFPRSA-N 1 0 274.364 3.400 20 5 CGBDRO C[C@H](CN(CC[NH3+])c1ccccc1[N+](=O)[O-])C(C)(C)C ZINC001181554418 810058812 /nfs/dbraw/zinc/05/88/12/810058812.db2.gz CQLVRERNTWJELL-GFCCVEGCSA-N 1 0 279.384 3.042 20 5 CGBDRO C[C@H]1CCCC[C@@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001181556002 810059383 /nfs/dbraw/zinc/05/93/83/810059383.db2.gz QXCIHOLZWNOEOV-UONOGXRCSA-N 1 0 291.395 3.186 20 5 CGBDRO Cc1ccc(NC[C@@H](C(C)C)[NH+]2CCCC2)c([N+](=O)[O-])c1 ZINC001184740131 810216738 /nfs/dbraw/zinc/21/67/38/810216738.db2.gz LTZKBXFPZJDLGU-INIZCTEOSA-N 1 0 291.395 3.436 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC001195148272 811215910 /nfs/dbraw/zinc/21/59/10/811215910.db2.gz UNNDMHJXISSELM-CQSZACIVSA-N 1 0 290.363 3.096 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC(C)(C)C[C@H]1C ZINC001195196672 811224901 /nfs/dbraw/zinc/22/49/01/811224901.db2.gz VVQCPGXDZVJRKT-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C)OC ZINC001202495090 812109011 /nfs/dbraw/zinc/10/90/11/812109011.db2.gz MJEOUODIXYMDTR-MEDUHNTESA-N 1 0 294.395 3.362 20 5 CGBDRO C[C@H](C[N+](C)(C)C)OCCCCOCc1ccccc1 ZINC001209857822 814171703 /nfs/dbraw/zinc/17/17/03/814171703.db2.gz INMPPUNVNWNBRF-MRXNPFEDSA-N 1 0 280.432 3.095 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001217994276 816040164 /nfs/dbraw/zinc/04/01/64/816040164.db2.gz GXUJBEXMVGHLKR-CYBMUJFWSA-N 1 0 292.379 3.413 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001218023470 816059219 /nfs/dbraw/zinc/05/92/19/816059219.db2.gz IKXIOSFQKFUZCR-TVQRCGJNSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001218026263 816062047 /nfs/dbraw/zinc/06/20/47/816062047.db2.gz HTOCLPRHXFCRJR-BXKDBHETSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@H]1C[C@@H](Oc2c3ccccc3ccc2[N+](=O)[O-])CC[NH2+]1 ZINC001218056554 816078965 /nfs/dbraw/zinc/07/89/65/816078965.db2.gz OXZQZLCYAXQKJL-AAEUAGOBSA-N 1 0 286.331 3.267 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(O[C@@H]2CCC23CC[NH2+]CC3)c1 ZINC001218082073 816089181 /nfs/dbraw/zinc/08/91/81/816089181.db2.gz WWFKNAAFQMLBTL-CYBMUJFWSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2CCC[C@@H]3C[NH2+]C[C@@H]32)c(Cl)c1 ZINC001218144777 816113194 /nfs/dbraw/zinc/11/31/94/816113194.db2.gz SJJPYWPSKSFXDB-SUZMYJTESA-N 1 0 296.754 3.015 20 5 CGBDRO C[C@H](Oc1nccc2c3ccccc3ccc21)C1C[NH2+]C1 ZINC001218198539 816124491 /nfs/dbraw/zinc/12/44/91/816124491.db2.gz MPKBEGABAZLBMX-LBPRGKRZSA-N 1 0 278.355 3.375 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1O[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC001218309052 816160471 /nfs/dbraw/zinc/16/04/71/816160471.db2.gz MKEMNRWVJGBFMU-LLVKDONJSA-N 1 0 296.754 3.302 20 5 CGBDRO c1cnc2c(c1)ccc1cccc(O[C@H]3C=CC[NH2+]C3)c12 ZINC001218330904 816170205 /nfs/dbraw/zinc/17/02/05/816170205.db2.gz KDUSYOOUOVBJRS-HNNXBMFYSA-N 1 0 276.339 3.295 20 5 CGBDRO C[C@H]1[NH2+]C[C@H]1Oc1ccc(-c2ccccc2[N+](=O)[O-])cc1 ZINC001218393194 816188844 /nfs/dbraw/zinc/18/88/44/816188844.db2.gz SWLZHMXIIGMXIL-BDJLRTHQSA-N 1 0 284.315 3.001 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]C(C)(C)C2)cc([N+](=O)[O-])c1C ZINC001218475991 816232929 /nfs/dbraw/zinc/23/29/29/816232929.db2.gz HUZCUGQRKVJQHX-GFCCVEGCSA-N 1 0 278.352 3.121 20 5 CGBDRO CSc1ccc(CO[C@@H](C)C[N+](C)(C)C)cc1 ZINC001222234019 816381420 /nfs/dbraw/zinc/38/14/20/816381420.db2.gz NAKIBRXQOKCMQK-LBPRGKRZSA-N 1 0 254.419 3.020 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)O[C@@](F)(Cl)c1ccccc1 ZINC001222958843 816541654 /nfs/dbraw/zinc/54/16/54/816541654.db2.gz ZVOBANAVTWLTSU-WCQYABFASA-N 1 0 260.760 3.117 20 5 CGBDRO CC[NH+](CC)C[C@H](C)O[C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001224019082 816720788 /nfs/dbraw/zinc/72/07/88/816720788.db2.gz CDJAYDBZTFXTRO-STQMWFEESA-N 1 0 280.368 3.403 20 5 CGBDRO Cc1cc(OC(C)C)cc(C)c1COCC[N+](C)(C)C ZINC001224773849 816877847 /nfs/dbraw/zinc/87/78/47/816877847.db2.gz MPZKVEOVJQDNLG-UHFFFAOYSA-N 1 0 280.432 3.313 20 5 CGBDRO Cc1ccc(C)c2c1CCC[C@H]2OCC[N+](C)(C)C ZINC001224775789 816879678 /nfs/dbraw/zinc/87/96/78/816879678.db2.gz PIUWQZCQPNCSEX-MRXNPFEDSA-N 1 0 262.417 3.404 20 5 CGBDRO Cc1cc(Br)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001225595813 817105568 /nfs/dbraw/zinc/10/55/68/817105568.db2.gz XHVUYFPHHJRRER-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO O=[N+]([O-])c1cccc(OC2CC[NH+](C3CC3)CC2)c1Cl ZINC001225788933 817179768 /nfs/dbraw/zinc/17/97/68/817179768.db2.gz PZBCQMWSLNRGFJ-UHFFFAOYSA-N 1 0 296.754 3.254 20 5 CGBDRO COc1ccc2ccc(O[C@H](C)C[N+](C)(C)C)cc2c1 ZINC001227857921 817737197 /nfs/dbraw/zinc/73/71/97/817737197.db2.gz WAPRKKJIENPXCO-CYBMUJFWSA-N 1 0 274.384 3.322 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccccc1N1CCCCC1 ZINC001228540513 817933455 /nfs/dbraw/zinc/93/34/55/817933455.db2.gz KDXRTPYJTISWKG-HNNXBMFYSA-N 1 0 277.432 3.150 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c2ncccc2c1 ZINC001231392891 818090704 /nfs/dbraw/zinc/09/07/04/818090704.db2.gz CGDGXZVDTBPYMD-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO CN(CC(C)(C)C[NH+](C)C)c1ccc([N+](=O)[O-])cc1Cl ZINC001458680934 937471907 /nfs/dbraw/zinc/47/19/07/937471907.db2.gz NZIAVNUWICKQHB-UHFFFAOYSA-N 1 0 299.802 3.272 20 5 CGBDRO C[C@@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001460708812 937541289 /nfs/dbraw/zinc/54/12/89/937541289.db2.gz MSNRVJXNXPYJNX-ZDUSSCGKSA-N 1 0 292.379 3.484 20 5 CGBDRO C[C@H](OCCC[N+](C)(C)C)c1cccc(F)c1F ZINC001224621970 932038012 /nfs/dbraw/zinc/03/80/12/932038012.db2.gz DKKOFBBUSZXJNV-NSHDSACASA-N 1 0 258.332 3.139 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001228919932 932051868 /nfs/dbraw/zinc/05/18/68/932051868.db2.gz CMDICDHCPURSPA-MQMHXKEQSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1cc(O[C@H]2CCC[N@@H+](C(C)C)C2)cc([N+](=O)[O-])c1C ZINC001230477986 932575772 /nfs/dbraw/zinc/57/57/72/932575772.db2.gz RKHUHGNJXMUTIM-AWEZNQCLSA-N 1 0 292.379 3.463 20 5 CGBDRO Cc1ccc2ncc(O[C@H](C)C[N+](C)(C)C)cc2c1 ZINC001230525223 932583498 /nfs/dbraw/zinc/58/34/98/932583498.db2.gz CREOZSGHZWWZRZ-CYBMUJFWSA-N 1 0 259.373 3.017 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1O[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC001230723937 932614511 /nfs/dbraw/zinc/61/45/11/932614511.db2.gz QQHCQOSVNSGBKS-BTTYYORXSA-N 1 0 290.363 3.216 20 5 CGBDRO C[C@@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1(C)CC1 ZINC001308136371 933055150 /nfs/dbraw/zinc/05/51/50/933055150.db2.gz LUGWKZFITBGNJU-MRVPVSSYSA-N 1 0 270.279 3.151 20 5 CGBDRO CCN(CCC[NH+](CC)CC)c1ccc(C)cc1[N+](=O)[O-] ZINC001472759069 937783066 /nfs/dbraw/zinc/78/30/66/937783066.db2.gz JNZUNDBUVZWBDA-UHFFFAOYSA-N 1 0 293.411 3.461 20 5 CGBDRO CC[C@H](C)[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC001472783901 937783670 /nfs/dbraw/zinc/78/36/70/937783670.db2.gz MTUXYVJCTUUXBO-NSHDSACASA-N 1 0 297.786 3.169 20 5 CGBDRO C[N@@H+]1CCN(c2ccccc2[N+](=O)[O-])CC12CCCCC2 ZINC001472787645 937784179 /nfs/dbraw/zinc/78/41/79/937784179.db2.gz SPZYYUDQDMYKBS-UHFFFAOYSA-N 1 0 289.379 3.050 20 5 CGBDRO CC(C)(C)SCC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC001325251727 934899493 /nfs/dbraw/zinc/89/94/93/934899493.db2.gz NZJBIOPVILXHBY-UHFFFAOYSA-N 1 0 294.420 3.485 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1 ZINC001330207501 935276464 /nfs/dbraw/zinc/27/64/64/935276464.db2.gz QWHQHEIDWWSLLX-RTXFEEFZSA-N 1 0 282.290 3.118 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)cc1 ZINC001333368794 935530648 /nfs/dbraw/zinc/53/06/48/935530648.db2.gz MAILPVSUHQVFLF-KWCYVHTRSA-N 1 0 296.317 3.161 20 5 CGBDRO Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC[N+](=O)[O-] ZINC001334050340 936081879 /nfs/dbraw/zinc/08/18/79/936081879.db2.gz YTWAPKUSWUWUKR-AWEZNQCLSA-N 1 0 290.388 3.207 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F ZINC001335949565 936168893 /nfs/dbraw/zinc/16/88/93/936168893.db2.gz MYFGFHCTFSQCCV-LMKPVCQUSA-N 1 0 296.317 3.345 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC12CC2 ZINC001474230213 937845382 /nfs/dbraw/zinc/84/53/82/937845382.db2.gz LLFYTIDKJAQOJI-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@]1(C)CCCCO1 ZINC001474516896 937864312 /nfs/dbraw/zinc/86/43/12/937864312.db2.gz LYNCCNBFYVZRFP-INIZCTEOSA-N 1 0 292.379 3.028 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCC(F)F ZINC001474749664 937878728 /nfs/dbraw/zinc/87/87/28/937878728.db2.gz AMQLTAKMWLAMCC-JTQLQIEISA-N 1 0 272.295 3.161 20 5 CGBDRO Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)c([N+](=O)[O-])s1 ZINC001559109302 938220105 /nfs/dbraw/zinc/22/01/05/938220105.db2.gz OWQDLBRDEFYRRW-SNVBAGLBSA-N 1 0 285.413 3.353 20 5 CGBDRO CO[C@@H](C)C[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C(C)C ZINC001560635590 938266779 /nfs/dbraw/zinc/26/67/79/938266779.db2.gz IGTHZJQROIUXIB-ZDUSSCGKSA-N 1 0 294.395 3.457 20 5 CGBDRO Cc1ccc(NCC[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC001579723514 962663453 /nfs/dbraw/zinc/66/34/53/962663453.db2.gz FNYIMCVDWKWLMP-CYBMUJFWSA-N 1 0 277.368 3.095 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000124685810 187149129 /nfs/dbraw/zinc/14/91/29/187149129.db2.gz OIXQPIUAFRENFS-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000590647173 346858706 /nfs/dbraw/zinc/85/87/06/346858706.db2.gz DNGLGGDBRAEJKH-RWMBFGLXSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000414212964 529473099 /nfs/dbraw/zinc/47/30/99/529473099.db2.gz QMLPVERRMIPKPG-LNSITVRQSA-N 1 0 278.352 3.121 20 5 CGBDRO CSCC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000591347900 346917204 /nfs/dbraw/zinc/91/72/04/346917204.db2.gz SYVZRXJUXBYUPH-AWEZNQCLSA-N 1 0 280.393 3.315 20 5 CGBDRO CO[C@@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)CC(C)C ZINC000591375589 346918513 /nfs/dbraw/zinc/91/85/13/346918513.db2.gz FEUVTPAUTOJVDV-OAHLLOKOSA-N 1 0 294.395 3.481 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592395433 346983260 /nfs/dbraw/zinc/98/32/60/346983260.db2.gz BHEWPPSKKJDHJR-OBJOEFQTSA-N 1 0 280.368 3.043 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](CNc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000050352102 345081590 /nfs/dbraw/zinc/08/15/90/345081590.db2.gz YAKIEPLNMZJLBC-NSHDSACASA-N 1 0 297.786 3.390 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000054174810 345130139 /nfs/dbraw/zinc/13/01/39/345130139.db2.gz JFIZNUKPCJAVAB-JTQLQIEISA-N 1 0 254.355 3.278 20 5 CGBDRO CC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000058933343 345204142 /nfs/dbraw/zinc/20/41/42/345204142.db2.gz RCCCTRWLSWEDOI-CYBMUJFWSA-N 1 0 278.352 3.096 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccsc1[N+](=O)[O-])c1cccs1 ZINC000067905630 345337596 /nfs/dbraw/zinc/33/75/96/345337596.db2.gz VGXWYHRPGOVIHM-JTQLQIEISA-N 1 0 297.405 3.433 20 5 CGBDRO C[NH+](C)[C@H](CNc1cccc(F)c1[N+](=O)[O-])c1ccco1 ZINC000068658545 345357523 /nfs/dbraw/zinc/35/75/23/345357523.db2.gz WVHHWZWKKDVXRR-GFCCVEGCSA-N 1 0 293.298 3.042 20 5 CGBDRO CC(C)C[NH+]1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 ZINC000072521779 345411715 /nfs/dbraw/zinc/41/17/15/345411715.db2.gz HJTYIKCPUIUSLN-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000083216325 345725119 /nfs/dbraw/zinc/72/51/19/345725119.db2.gz BKQVAJNEUBEWFC-QWRGUYRKSA-N 1 0 289.335 3.356 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090846818 345796466 /nfs/dbraw/zinc/79/64/66/345796466.db2.gz AAZNFHKRVDEECH-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000090846819 345796585 /nfs/dbraw/zinc/79/65/85/345796585.db2.gz AAZNFHKRVDEECH-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO Cc1cc(OCCOc2cccc([N+](=O)[O-])c2)cc(C)[nH+]1 ZINC000128176867 346038070 /nfs/dbraw/zinc/03/80/70/346038070.db2.gz SVHDPDIUYFGGHR-UHFFFAOYSA-N 1 0 288.303 3.064 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H](O)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000178432741 232390385 /nfs/dbraw/zinc/39/03/85/232390385.db2.gz GFXMXATVSNITQH-QWHCGFSZSA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]([NH2+]CC1(CO)CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000157522629 346162051 /nfs/dbraw/zinc/16/20/51/346162051.db2.gz AQLFAXFQVNPRHT-CYBMUJFWSA-N 1 0 292.379 3.188 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295130255 199361909 /nfs/dbraw/zinc/36/19/09/199361909.db2.gz ATTIETCBNGUTDC-FZMZJTMJSA-N 1 0 278.352 3.121 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000278721317 346416377 /nfs/dbraw/zinc/41/63/77/346416377.db2.gz LARHFXTYXFFTIP-UVMHCMFPSA-N 1 0 290.363 3.155 20 5 CGBDRO COCC1(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000283361963 346420186 /nfs/dbraw/zinc/42/01/86/346420186.db2.gz BYJVKUSMRRMTOR-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1cc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(F)cc1[N+](=O)[O-] ZINC000314747076 346482732 /nfs/dbraw/zinc/48/27/32/346482732.db2.gz QNACKZAXFVCWJC-GXTWGEPZSA-N 1 0 293.342 3.081 20 5 CGBDRO Cc1ccnc(C[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000328067158 346491148 /nfs/dbraw/zinc/49/11/48/346491148.db2.gz CUCGEORQEABTJR-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000593620953 347096791 /nfs/dbraw/zinc/09/67/91/347096791.db2.gz GOUSXPJKWYAJIG-AWEZNQCLSA-N 1 0 294.395 3.444 20 5 CGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1CCCOC1 ZINC000593674093 347102594 /nfs/dbraw/zinc/10/25/94/347102594.db2.gz NODKKGUXFMUTRD-GTBONMDNSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](OC(C)C)C1 ZINC000593660829 347102196 /nfs/dbraw/zinc/10/21/96/347102196.db2.gz SEKZFFKLJUQZNX-MRXNPFEDSA-N 1 0 292.379 3.293 20 5 CGBDRO CCC[C@H](C)[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000584724328 346710240 /nfs/dbraw/zinc/71/02/40/346710240.db2.gz BFFWCTYDGNFEAF-WHOFXGATSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC1(C(F)F)CC1 ZINC000584790914 346715226 /nfs/dbraw/zinc/71/52/26/346715226.db2.gz XRDDSBMMOFBRLK-NSHDSACASA-N 1 0 282.290 3.217 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@H](F)C1 ZINC000588231378 346756810 /nfs/dbraw/zinc/75/68/10/346756810.db2.gz SPGYMQKQGORMOG-XBFCOCLRSA-N 1 0 280.343 3.396 20 5 CGBDRO O=[N+]([O-])c1ccccc1N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000594597956 347199507 /nfs/dbraw/zinc/19/95/07/347199507.db2.gz FKRKGAOQFQVELJ-JSGCOSHPSA-N 1 0 275.352 3.024 20 5 CGBDRO CCC[N@H+](C)CC(C)(C)NCc1ccc(C)c([N+](=O)[O-])c1 ZINC000594999773 347252852 /nfs/dbraw/zinc/25/28/52/347252852.db2.gz DQPCCDMFAMOOPC-UHFFFAOYSA-N 1 0 293.411 3.113 20 5 CGBDRO COCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCCC1 ZINC000594952021 347239565 /nfs/dbraw/zinc/23/95/65/347239565.db2.gz PJAZLNQVIQQZKU-SOFGYWHQSA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC[C@]1(C)CC1(F)F ZINC000594978811 347247877 /nfs/dbraw/zinc/24/78/77/347247877.db2.gz WIKNCWXEKTYEKQ-CYBMUJFWSA-N 1 0 284.306 3.428 20 5 CGBDRO C[C@@]1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1(F)F ZINC000594985420 347249258 /nfs/dbraw/zinc/24/92/58/347249258.db2.gz MFVDWCJNDNPLGM-BPJJOFIESA-N 1 0 282.290 3.243 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595304449 347289929 /nfs/dbraw/zinc/28/99/29/347289929.db2.gz FSQJRYZISMTWJM-GFCCVEGCSA-N 1 0 252.289 3.108 20 5 CGBDRO C[C@H]1CCCC[C@@H]1C[N@@H+]1CCc2ncc([N+](=O)[O-])cc2C1 ZINC000595425934 347301466 /nfs/dbraw/zinc/30/14/66/347301466.db2.gz VKRQNFQUROYHBB-QWHCGFSZSA-N 1 0 289.379 3.174 20 5 CGBDRO CCC[C@H]1[C@@H](C)CCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595386757 347297297 /nfs/dbraw/zinc/29/72/97/347297297.db2.gz RJMROGYQPCEVNU-JQWIXIFHSA-N 1 0 281.356 3.292 20 5 CGBDRO Cc1c(C[NH2+]C2CC(CF)(CF)C2)cccc1[N+](=O)[O-] ZINC000595040827 347266389 /nfs/dbraw/zinc/26/63/89/347266389.db2.gz MOPKWWIBBITHFU-UHFFFAOYSA-N 1 0 284.306 3.081 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCSC1 ZINC000595048980 347269486 /nfs/dbraw/zinc/26/94/86/347269486.db2.gz IHTWKHZIWVGBPE-MNOVXSKESA-N 1 0 296.392 3.007 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[C@@H]1C ZINC000595051054 347270100 /nfs/dbraw/zinc/27/01/00/347270100.db2.gz RWDWCYDPZKRSSS-OUJBWJOFSA-N 1 0 264.325 3.053 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595419040 347300312 /nfs/dbraw/zinc/30/03/12/347300312.db2.gz WNQUFTBHKDPBRZ-UWVGGRQHSA-N 1 0 254.305 3.258 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000595054330 347271129 /nfs/dbraw/zinc/27/11/29/347271129.db2.gz ZYIGIVNIHXGBTE-WBIUFABUSA-N 1 0 290.363 3.300 20 5 CGBDRO CCO[C@H]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595067060 347276012 /nfs/dbraw/zinc/27/60/12/347276012.db2.gz KDQCSXDJQPBIRK-QEJZJMRPSA-N 1 0 292.379 3.073 20 5 CGBDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)C1 ZINC000595096817 347282841 /nfs/dbraw/zinc/28/28/41/347282841.db2.gz MLILFRNFSCCVBJ-KBPBESRZSA-N 1 0 291.395 3.038 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]2c2ccc[nH]2)cc1 ZINC000339289536 215070188 /nfs/dbraw/zinc/07/01/88/215070188.db2.gz KWXWBZFARXLGAM-INIZCTEOSA-N 1 0 285.347 3.303 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F)C1CC1 ZINC000595766487 347353534 /nfs/dbraw/zinc/35/35/34/347353534.db2.gz WMXCENSXJGAHFI-ZDUSSCGKSA-N 1 0 270.279 3.151 20 5 CGBDRO CCCC[C@@H]1CCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595430528 347303248 /nfs/dbraw/zinc/30/32/48/347303248.db2.gz VQEHQPYVQWDQEP-VXGBXAGGSA-N 1 0 281.356 3.340 20 5 CGBDRO CCC1(CC)CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595450574 347305020 /nfs/dbraw/zinc/30/50/20/347305020.db2.gz UAACCBRHMSYCOJ-UHFFFAOYSA-N 1 0 281.356 3.293 20 5 CGBDRO C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595454128 347305637 /nfs/dbraw/zinc/30/56/37/347305637.db2.gz JEKKQQADRASICV-JOYOIKCWSA-N 1 0 252.289 3.012 20 5 CGBDRO Cc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c([N+](=O)[O-])s1 ZINC000596232842 347401709 /nfs/dbraw/zinc/40/17/09/347401709.db2.gz SWXPUUAOOVAURD-FOSCPWQOSA-N 1 0 295.408 3.026 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CC1=CCSC1 ZINC000595887179 347369746 /nfs/dbraw/zinc/36/97/46/347369746.db2.gz BJANPONOWSKRAU-LLVKDONJSA-N 1 0 278.377 3.261 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC2CC1(C)C2 ZINC000595915118 347372626 /nfs/dbraw/zinc/37/26/26/347372626.db2.gz JJASYAGBEQQFLV-UHFFFAOYSA-N 1 0 290.363 3.366 20 5 CGBDRO Cc1noc(C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)c1[N+](=O)[O-] ZINC000595914785 347372777 /nfs/dbraw/zinc/37/27/77/347372777.db2.gz GMEACWXSMGLGMR-RYUDHWBXSA-N 1 0 279.340 3.046 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccccc2C[C@H]2CCCC[NH2+]2)cn1 ZINC000596636729 347494980 /nfs/dbraw/zinc/49/49/80/347494980.db2.gz MHOCESDSPPZKRN-OAHLLOKOSA-N 1 0 297.358 3.341 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCCC23CC3)cc1 ZINC000599014494 347706149 /nfs/dbraw/zinc/70/61/49/347706149.db2.gz BAWKBKJLHCEEQJ-ZDUSSCGKSA-N 1 0 260.337 3.265 20 5 CGBDRO CCO[C@@]1(C)C[C@H]1[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000599071916 347714577 /nfs/dbraw/zinc/71/45/77/347714577.db2.gz BQYFKWWCSMBMSJ-ZNMIVQPWSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)c1ccccc1[N+](=O)[O-] ZINC000599075041 347714893 /nfs/dbraw/zinc/71/48/93/347714893.db2.gz REGGXCLUQJMUEA-SQRMYFJTSA-N 1 0 278.352 3.057 20 5 CGBDRO CCOc1cc(NCC[NH2+]C(CC)CC)ccc1[N+](=O)[O-] ZINC000599097951 347716931 /nfs/dbraw/zinc/71/69/31/347716931.db2.gz OAHMCEPWUQPSNO-UHFFFAOYSA-N 1 0 295.383 3.184 20 5 CGBDRO CCC(O)(CC)C[N@H+](C)[C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000599673591 347764377 /nfs/dbraw/zinc/76/43/77/347764377.db2.gz QRVLMEUYSAMOGJ-ZDUSSCGKSA-N 1 0 294.395 3.447 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000601149758 347875568 /nfs/dbraw/zinc/87/55/68/347875568.db2.gz RNBJRLAPZFWBLH-KHSTVVRMSA-N 1 0 290.363 3.154 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@H+](CCC[C@H]2CCO2)C2CC2)c1 ZINC000602441721 347958836 /nfs/dbraw/zinc/95/88/36/347958836.db2.gz YATRQURNKGTLLY-INIZCTEOSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1c(CN2CCC[C@@H]2c2ncccn2)cccc1[N+](=O)[O-] ZINC000602901119 348041769 /nfs/dbraw/zinc/04/17/69/348041769.db2.gz WSDRTAOFHUULSH-OAHLLOKOSA-N 1 0 298.346 3.030 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(C)(F)CC1 ZINC000602992646 348052907 /nfs/dbraw/zinc/05/29/07/348052907.db2.gz BJWKCGATVLXZMC-NSHDSACASA-N 1 0 266.316 3.480 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNc2ccc([N+](=O)[O-])s2)C1 ZINC000604409283 348119602 /nfs/dbraw/zinc/11/96/02/348119602.db2.gz OLXVLXMWZNBGQP-VXGBXAGGSA-N 1 0 297.424 3.436 20 5 CGBDRO C[NH+](C)[C@@H](CNc1ccc([N+](=O)[O-])s1)c1ccsc1 ZINC000604408804 348119730 /nfs/dbraw/zinc/11/97/30/348119730.db2.gz QUUOOLDXRJNXIB-JTQLQIEISA-N 1 0 297.405 3.433 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNc2ccsc2[N+](=O)[O-])C1 ZINC000604433522 348120202 /nfs/dbraw/zinc/12/02/02/348120202.db2.gz UDGJLAPKNZRQPF-TXEJJXNPSA-N 1 0 297.424 3.436 20 5 CGBDRO C[C@@H](CNc1ccsc1[N+](=O)[O-])[N@@H+]1CCCC[C@H]1C ZINC000604432687 348120223 /nfs/dbraw/zinc/12/02/23/348120223.db2.gz QHAWCQPBOCGUHF-MNOVXSKESA-N 1 0 283.397 3.331 20 5 CGBDRO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000604487426 348121618 /nfs/dbraw/zinc/12/16/18/348121618.db2.gz IJTSSKSBMPABOK-ZDUSSCGKSA-N 1 0 262.353 3.259 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000609595480 348348926 /nfs/dbraw/zinc/34/89/26/348348926.db2.gz ANHINCCLWCTOGU-LBPRGKRZSA-N 1 0 297.786 3.215 20 5 CGBDRO C[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000608837180 348332222 /nfs/dbraw/zinc/33/22/22/348332222.db2.gz XAIYZBRNVBTVSW-CFNZNRNTSA-N 1 0 283.331 3.354 20 5 CGBDRO C[C@H]([NH2+]Cc1ccc2c[nH]nc2c1)c1cccc([N+](=O)[O-])c1 ZINC000609440352 348344694 /nfs/dbraw/zinc/34/46/94/348344694.db2.gz OWTICQSFMWCRLM-NSHDSACASA-N 1 0 296.330 3.322 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2cccnc2C)cc1[N+](=O)[O-] ZINC000610591663 348391963 /nfs/dbraw/zinc/39/19/63/348391963.db2.gz GXKNVZUXXDAWKB-GFCCVEGCSA-N 1 0 285.347 3.457 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000611319652 348438436 /nfs/dbraw/zinc/43/84/36/348438436.db2.gz KBZDSEBTFDEKQU-MNOVXSKESA-N 1 0 289.335 3.499 20 5 CGBDRO O=[N+]([O-])c1ccsc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000611412617 348449031 /nfs/dbraw/zinc/44/90/31/348449031.db2.gz DMYPJEWXRMKUDP-LBPRGKRZSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@H]1F ZINC000611800089 348476832 /nfs/dbraw/zinc/47/68/32/348476832.db2.gz MBAOIPPRHNDYMO-NOZJJQNGSA-N 1 0 286.734 3.428 20 5 CGBDRO COC[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)C(C)C ZINC000618569215 349107832 /nfs/dbraw/zinc/10/78/32/349107832.db2.gz PYWRVAOTEJBLSJ-HOTGVXAUSA-N 1 0 292.379 3.233 20 5 CGBDRO CC[NH+](CC)[C@H](C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352112884 219325072 /nfs/dbraw/zinc/32/50/72/219325072.db2.gz DNVKGPMIRAFENB-SNVBAGLBSA-N 1 0 290.323 3.048 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C1CCC1 ZINC000271432268 191134201 /nfs/dbraw/zinc/13/42/01/191134201.db2.gz DZXUATGYDMJZHU-IUODEOHRSA-N 1 0 274.364 3.448 20 5 CGBDRO Cc1cc(N[C@@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000048336259 137900555 /nfs/dbraw/zinc/90/05/55/137900555.db2.gz FRKUWZZGKFRTBB-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1[N+](=O)[O-] ZINC000153759738 188102242 /nfs/dbraw/zinc/10/22/42/188102242.db2.gz MGBFPMKHYSSWJH-NWANDNLSSA-N 1 0 292.379 3.105 20 5 CGBDRO Cc1cccc(C[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000051574744 137915194 /nfs/dbraw/zinc/91/51/94/137915194.db2.gz YQLFRROTNDJENV-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO CC(C)([NH2+]C[C@@H]1CCSC1)c1ccc([N+](=O)[O-])cc1 ZINC000487330082 535248726 /nfs/dbraw/zinc/24/87/26/535248726.db2.gz DHGFALNKLNKQAJ-NSHDSACASA-N 1 0 280.393 3.173 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414316778 235387169 /nfs/dbraw/zinc/38/71/69/235387169.db2.gz OLWBZWYDBKRUFG-NWDGAFQWSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCO1)CCCC2 ZINC000417299396 235619440 /nfs/dbraw/zinc/61/94/40/235619440.db2.gz MSUWBWIGEFDWRM-HOCLYGCPSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000293896371 198817103 /nfs/dbraw/zinc/81/71/03/198817103.db2.gz VOSHELWIFHSFPY-CZXHOFHRSA-N 1 0 278.352 3.201 20 5 CGBDRO CC(C)(C)CC[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000123984550 138371617 /nfs/dbraw/zinc/37/16/17/138371617.db2.gz VXKAPRGKBINHKN-UHFFFAOYSA-N 1 0 250.342 3.163 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CC)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000340499706 215608268 /nfs/dbraw/zinc/60/82/68/215608268.db2.gz FCVIVNDGMQVKQX-KGLIPLIRSA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(NCC2(C)CC[NH+](C)CC2)c1 ZINC000227307716 138501077 /nfs/dbraw/zinc/50/10/77/138501077.db2.gz RLFGMIWUFMAOSX-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000424205969 236133514 /nfs/dbraw/zinc/13/35/14/236133514.db2.gz WMHJQQGVSSKJAS-VSWCJUERSA-N 1 0 272.348 3.386 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424332508 236151315 /nfs/dbraw/zinc/15/13/15/236151315.db2.gz WREMNCOANSYCKI-IINYFYTJSA-N 1 0 276.336 3.197 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1ccc([N+](=O)[O-])cc1 ZINC000424333574 236152116 /nfs/dbraw/zinc/15/21/16/236152116.db2.gz UOENHMCXTRXNQO-WKPIXPDZSA-N 1 0 260.337 3.434 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000340944531 215771364 /nfs/dbraw/zinc/77/13/64/215771364.db2.gz WOQUCGNXPVHQML-NJZAAPMLSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1C ZINC000178563590 189127172 /nfs/dbraw/zinc/12/71/72/189127172.db2.gz XYONZQPBHVMVNJ-BHTHQVBYSA-N 1 0 292.379 3.043 20 5 CGBDRO CCC[NH+]1CCC(N(C)c2ccc([N+](=O)[O-])cc2F)CC1 ZINC000301133938 200924005 /nfs/dbraw/zinc/92/40/05/200924005.db2.gz WECQELXSVGUFKU-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO C[C@H]1CCC[C@H](C)C1[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000182736002 189333255 /nfs/dbraw/zinc/33/32/55/189333255.db2.gz AVZREVLJYYMGHH-HUBLWGQQSA-N 1 0 292.379 3.043 20 5 CGBDRO CC(C)C[N@@H+]1CC[C@@H](CNc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301607567 201092633 /nfs/dbraw/zinc/09/26/33/201092633.db2.gz NUBCLVFELAOYPS-LBPRGKRZSA-N 1 0 295.358 3.124 20 5 CGBDRO CC[C@@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)OC ZINC000353123558 219903779 /nfs/dbraw/zinc/90/37/79/219903779.db2.gz QDKBKFCGTRARLE-ZDUSSCGKSA-N 1 0 280.368 3.233 20 5 CGBDRO COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000184686153 189392634 /nfs/dbraw/zinc/39/26/34/189392634.db2.gz PHXZRSDEQBWFPR-GWCFXTLKSA-N 1 0 296.342 3.411 20 5 CGBDRO C[N@H+](CCNc1sccc1[N+](=O)[O-])C1CCCCC1 ZINC000302009906 201296196 /nfs/dbraw/zinc/29/61/96/201296196.db2.gz YCAHTHSENYFIGG-UHFFFAOYSA-N 1 0 283.397 3.333 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[C@H]1CCCO1 ZINC000449111440 239186719 /nfs/dbraw/zinc/18/67/19/239186719.db2.gz LZWBNAOWTFAQCQ-UMVBOHGHSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@H]1C ZINC000449134136 239198737 /nfs/dbraw/zinc/19/87/37/239198737.db2.gz HCNXELXODADCEL-YRGRVCCFSA-N 1 0 262.353 3.304 20 5 CGBDRO CCC[N@@H+]1CC[C@@H](CNc2c(C)cccc2[N+](=O)[O-])C1 ZINC000120602574 370784602 /nfs/dbraw/zinc/78/46/02/370784602.db2.gz FTXDCJWGZLNSIN-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000459781870 242230373 /nfs/dbraw/zinc/23/03/73/242230373.db2.gz YPLQTNHDJWIHIZ-NEBZKDRISA-N 1 0 274.364 3.304 20 5 CGBDRO Cc1cc(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(F)cc1[N+](=O)[O-] ZINC000461959059 242320234 /nfs/dbraw/zinc/32/02/34/242320234.db2.gz RUKMRZRIEKVZJT-QWRGUYRKSA-N 1 0 293.342 3.079 20 5 CGBDRO CC[N@H+](CCOc1ccccc1[N+](=O)[O-])CC(C)(C)C ZINC000463358966 242393049 /nfs/dbraw/zinc/39/30/49/242393049.db2.gz GIIUVLAIUIOXOD-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)CCC(C)C)cc1[N+](=O)[O-] ZINC000482816766 243245119 /nfs/dbraw/zinc/24/51/19/243245119.db2.gz CPQFZVBYMXKNEO-UKRRQHHQSA-N 1 0 294.395 3.351 20 5 CGBDRO CCOc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000492719861 244013697 /nfs/dbraw/zinc/01/36/97/244013697.db2.gz GCYTWPGKBFKVLB-STQMWFEESA-N 1 0 292.379 3.471 20 5 CGBDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000050015531 369426398 /nfs/dbraw/zinc/42/63/98/369426398.db2.gz OLQQBWLOKDRJMT-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CC(C)C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051735568 369455007 /nfs/dbraw/zinc/45/50/07/369455007.db2.gz DRQAHAVIKSYBKZ-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])cc1Cl)[N@H+](C)C1CC1 ZINC000068913572 369751148 /nfs/dbraw/zinc/75/11/48/369751148.db2.gz KKGKAAKEBZGSOQ-VIFPVBQESA-N 1 0 283.759 3.143 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000070357863 369798408 /nfs/dbraw/zinc/79/84/08/369798408.db2.gz GNUZDPBAFRGJBP-DGCLKSJQSA-N 1 0 278.352 3.203 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000355358117 296151629 /nfs/dbraw/zinc/15/16/29/296151629.db2.gz XJYPWFGVANELQT-AGIUHOORSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H](CSC)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000091555441 370074520 /nfs/dbraw/zinc/07/45/20/370074520.db2.gz MPPOKVSUXNIBPJ-ZYHUDNBSSA-N 1 0 268.382 3.387 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000103482356 370330743 /nfs/dbraw/zinc/33/07/43/370330743.db2.gz KURPTRISJHXQRS-CQSZACIVSA-N 1 0 278.327 3.498 20 5 CGBDRO CC(C)c1ccc(C[NH2+]C2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000131123403 371084520 /nfs/dbraw/zinc/08/45/20/371084520.db2.gz ILTGGNLSGVCMSE-UHFFFAOYSA-N 1 0 292.379 3.377 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)cccc1[N+](=O)[O-] ZINC000132457696 371176365 /nfs/dbraw/zinc/17/63/65/371176365.db2.gz PJABANPTTCBYHS-CQSZACIVSA-N 1 0 292.379 3.339 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1cccc([N+](=O)[O-])c1 ZINC000132507003 371180965 /nfs/dbraw/zinc/18/09/65/371180965.db2.gz FQOLJFXFLKESRU-MFKMUULPSA-N 1 0 298.433 3.094 20 5 CGBDRO Cc1nc2ccccn2c1COc1cccc([N+](=O)[O-])c1 ZINC000133238014 371237435 /nfs/dbraw/zinc/23/74/35/371237435.db2.gz AENXFPCVPXAZQO-UHFFFAOYSA-N 1 0 283.287 3.130 20 5 CGBDRO CCC(CC)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000134446512 371337109 /nfs/dbraw/zinc/33/71/09/371337109.db2.gz YYMXIUGOHOFYPO-UHFFFAOYSA-N 1 0 250.342 3.429 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCCCC[C@H]2O)c(Cl)c1 ZINC000135723941 371447485 /nfs/dbraw/zinc/44/74/85/371447485.db2.gz SLNCKUYEXMDPJY-UONOGXRCSA-N 1 0 298.770 3.031 20 5 CGBDRO COc1cccc(C2([NH2+]Cc3cccc([N+](=O)[O-])c3)CC2)c1 ZINC000150895109 371546381 /nfs/dbraw/zinc/54/63/81/371546381.db2.gz PRGWEUNOQHVOGR-UHFFFAOYSA-N 1 0 298.342 3.382 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCc2cccnc2CC1 ZINC000421842396 371665028 /nfs/dbraw/zinc/66/50/28/371665028.db2.gz KXTNCXVXJZGGHN-OAHLLOKOSA-N 1 0 297.358 3.027 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC(C)(C)C1 ZINC000353308588 220019020 /nfs/dbraw/zinc/01/90/20/220019020.db2.gz XPHOBHAYDGJQDG-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CCC[C@@H](CCO)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000152470610 371697742 /nfs/dbraw/zinc/69/77/42/371697742.db2.gz MQNBNHRYKQAGNL-KBPBESRZSA-N 1 0 294.395 3.353 20 5 CGBDRO CCCC[C@H](C)[N@H+](C)CC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000289746805 371809370 /nfs/dbraw/zinc/80/93/70/371809370.db2.gz FDVPFCMQXXXWQY-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]Cc1cccc(O)c1 ZINC000154420786 371844130 /nfs/dbraw/zinc/84/41/30/371844130.db2.gz GCUNXAYSFNFWHA-GFCCVEGCSA-N 1 0 286.331 3.460 20 5 CGBDRO CCN(CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000155854262 371947196 /nfs/dbraw/zinc/94/71/96/371947196.db2.gz PTOCFCRLDVYCFA-CYBMUJFWSA-N 1 0 291.395 3.038 20 5 CGBDRO C[C@H](NCC1([NH3+])CCCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000423208030 372030388 /nfs/dbraw/zinc/03/03/88/372030388.db2.gz YILLSTDRLJMKRD-ZDUSSCGKSA-N 1 0 291.395 3.297 20 5 CGBDRO CC[N@H+](CCc1nccs1)Cc1ccc([N+](=O)[O-])cc1 ZINC000159340887 372134404 /nfs/dbraw/zinc/13/44/04/372134404.db2.gz ZWBCDZFDSDTDKU-UHFFFAOYSA-N 1 0 291.376 3.116 20 5 CGBDRO CC[N@H+](C[C@H](C)OC)[C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000291329213 372160660 /nfs/dbraw/zinc/16/06/60/372160660.db2.gz VPEPLJWRIRLBQT-NWDGAFQWSA-N 1 0 266.341 3.013 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC2(CO)CCCC2)cc1[N+](=O)[O-] ZINC000160089072 372210227 /nfs/dbraw/zinc/21/02/27/372210227.db2.gz LMGZOKTZMBSHSR-ZDUSSCGKSA-N 1 0 292.379 3.107 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(F)(F)C1 ZINC000428653282 372244520 /nfs/dbraw/zinc/24/45/20/372244520.db2.gz RQRLRQLIQVTVNX-BJMVGYQFSA-N 1 0 282.290 3.385 20 5 CGBDRO COC(C)(C)CC[NH2+]C(C)(C)c1ccccc1[N+](=O)[O-] ZINC000429256383 372331952 /nfs/dbraw/zinc/33/19/52/372331952.db2.gz KOZWDDFNHOWWPK-UHFFFAOYSA-N 1 0 280.368 3.235 20 5 CGBDRO Cc1ccsc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293898526 372517788 /nfs/dbraw/zinc/51/77/88/372517788.db2.gz WIGILOGMEKBQRY-SNVBAGLBSA-N 1 0 291.376 3.398 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344595591 217242060 /nfs/dbraw/zinc/24/20/60/217242060.db2.gz VGDIWVFJJWOFKM-TZMCWYRMSA-N 1 0 292.379 3.233 20 5 CGBDRO C[C@H](O)C[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000353457039 220094405 /nfs/dbraw/zinc/09/44/05/220094405.db2.gz YHCZUKBHESAPET-NSHDSACASA-N 1 0 298.408 3.172 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344749810 217300245 /nfs/dbraw/zinc/30/02/45/217300245.db2.gz BQQWTSOLQXSZME-KXQLTZBTSA-N 1 0 297.358 3.224 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000173428389 373140594 /nfs/dbraw/zinc/14/05/94/373140594.db2.gz WPAYVIVFQWJXJY-TZMCWYRMSA-N 1 0 280.368 3.451 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447582157 373456894 /nfs/dbraw/zinc/45/68/94/373456894.db2.gz YGKJTVLRIIYNMR-KGLIPLIRSA-N 1 0 260.337 3.360 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000300410133 373627130 /nfs/dbraw/zinc/62/71/30/373627130.db2.gz FBCIZHBGZUKRPO-DDTOSNHZSA-N 1 0 278.352 3.059 20 5 CGBDRO CS[C@@H]1CC[N@H+](C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000449445155 373722525 /nfs/dbraw/zinc/72/25/25/373722525.db2.gz HEHMEBHCMKBTTN-INDWDQIESA-N 1 0 292.404 3.435 20 5 CGBDRO Cc1ccoc1C[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000289523528 197388462 /nfs/dbraw/zinc/38/84/62/197388462.db2.gz POIIJWCISKKBNC-UHFFFAOYSA-N 1 0 274.320 3.171 20 5 CGBDRO C[C@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000539089274 288604131 /nfs/dbraw/zinc/60/41/31/288604131.db2.gz QKFUWPPRFCKNKC-LBPRGKRZSA-N 1 0 262.353 3.306 20 5 CGBDRO CCC(C)(C)OCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000308740848 374177938 /nfs/dbraw/zinc/17/79/38/374177938.db2.gz ORCDOMJONPGBKK-LBPRGKRZSA-N 1 0 280.368 3.451 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1cccnc1 ZINC000182025873 374204415 /nfs/dbraw/zinc/20/44/15/374204415.db2.gz XJABRTWEINIKIJ-LBPRGKRZSA-N 1 0 271.320 3.183 20 5 CGBDRO CC[C@@H]([NH2+]CC1(COC)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000313820988 374306604 /nfs/dbraw/zinc/30/66/04/374306604.db2.gz AWSVYNLXUQFDCL-OAHLLOKOSA-N 1 0 292.379 3.452 20 5 CGBDRO CCC[C@H](C)[N@H+](C)Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000463494551 374839262 /nfs/dbraw/zinc/83/92/62/374839262.db2.gz XALWCCJTRLZNTP-JTQLQIEISA-N 1 0 284.331 3.363 20 5 CGBDRO COC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCCC1 ZINC000187442272 375022367 /nfs/dbraw/zinc/02/23/67/375022367.db2.gz CNUSILKUWHBUIF-UHFFFAOYSA-N 1 0 284.381 3.095 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000187956383 375126749 /nfs/dbraw/zinc/12/67/49/375126749.db2.gz MWVBSOXJFPKSDJ-NSHDSACASA-N 1 0 289.335 3.358 20 5 CGBDRO CO[C@H]1CN(Cc2ccc([N+](=O)[O-])cc2Cl)CC[C@H]1C ZINC000189265719 375352059 /nfs/dbraw/zinc/35/20/59/375352059.db2.gz IHBYLZABFSPKMC-YGRLFVJLSA-N 1 0 298.770 3.105 20 5 CGBDRO C[C@@H]1CSCCN1Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000493079227 375461137 /nfs/dbraw/zinc/46/11/37/375461137.db2.gz MDUIUJCNBVGFLR-SECBINFHSA-N 1 0 286.784 3.186 20 5 CGBDRO Cc1ccc(C[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])cn1 ZINC000492111717 375422030 /nfs/dbraw/zinc/42/20/30/375422030.db2.gz VUWAQOFBOHCNIV-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])O1 ZINC000189719920 375438486 /nfs/dbraw/zinc/43/84/86/375438486.db2.gz NSCVZQFPBXXOQK-DYLGSBMWSA-N 1 0 290.363 3.155 20 5 CGBDRO CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000508601699 375752966 /nfs/dbraw/zinc/75/29/66/375752966.db2.gz XVYIVKIFVDKHPI-UHFFFAOYSA-N 1 0 250.342 3.463 20 5 CGBDRO CC(C)=CCC[C@@H](C)CC[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000193303405 375856719 /nfs/dbraw/zinc/85/67/19/375856719.db2.gz XFRRCPNUDZUETR-CQSZACIVSA-N 1 0 294.399 3.154 20 5 CGBDRO CC(C)[NH+](CCCNc1cc(N)ccc1[N+](=O)[O-])C(C)C ZINC000193462203 375881049 /nfs/dbraw/zinc/88/10/49/375881049.db2.gz UNEYAHZESAIBPP-UHFFFAOYSA-N 1 0 294.399 3.098 20 5 CGBDRO C[N@H+]1Cc2ccccc2[C@@H](Nc2ccccc2[N+](=O)[O-])C1 ZINC000536023638 376077140 /nfs/dbraw/zinc/07/71/40/376077140.db2.gz UMYFJYZEDZVAJE-HNNXBMFYSA-N 1 0 283.331 3.193 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217363499 376172959 /nfs/dbraw/zinc/17/29/59/376172959.db2.gz CNYJXGKZGJCLMR-OLZOCXBDSA-N 1 0 295.770 3.287 20 5 CGBDRO COCCCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000225589272 376317037 /nfs/dbraw/zinc/31/70/37/376317037.db2.gz SUSVDSABCNMSAY-UHFFFAOYSA-N 1 0 286.759 3.155 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054851 376354771 /nfs/dbraw/zinc/35/47/71/376354771.db2.gz CKVAGJMQTHVUMY-OLZOCXBDSA-N 1 0 278.352 3.237 20 5 CGBDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C(F)(F)F ZINC000540481210 376376219 /nfs/dbraw/zinc/37/62/19/376376219.db2.gz WXDCSFFFAUKYLG-BDAKNGLRSA-N 1 0 276.258 3.444 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000541771027 376481588 /nfs/dbraw/zinc/48/15/88/376481588.db2.gz LBUYFUDIPQMSHN-YPMHNXCESA-N 1 0 262.353 3.381 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)(C)C)C2)cc1[N+](=O)[O-] ZINC000542321849 376536112 /nfs/dbraw/zinc/53/61/12/376536112.db2.gz NKMVURNBSWHMDU-ZDUSSCGKSA-N 1 0 292.379 3.471 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000542701869 376570903 /nfs/dbraw/zinc/57/09/03/376570903.db2.gz QQXRNIDQMHTOAK-LLVKDONJSA-N 1 0 250.342 3.381 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2C)C1(C)C ZINC000542706083 376571953 /nfs/dbraw/zinc/57/19/53/376571953.db2.gz ONVCADILXFKOMI-ZBFHGGJFSA-N 1 0 292.379 3.196 20 5 CGBDRO CSC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCC1 ZINC000235021326 376628841 /nfs/dbraw/zinc/62/88/41/376628841.db2.gz GOLGRKXCNIWPPZ-UHFFFAOYSA-N 1 0 280.393 3.279 20 5 CGBDRO CCCC[N@H+](C)CCNc1cccc(OCC)c1[N+](=O)[O-] ZINC000545159131 376788664 /nfs/dbraw/zinc/78/86/64/376788664.db2.gz UUWYOOZDMTVDPQ-UHFFFAOYSA-N 1 0 295.383 3.137 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H](c2cccnc2)C2CC2)c1 ZINC000340103261 376916158 /nfs/dbraw/zinc/91/61/58/376916158.db2.gz APOOXEZOWPGBFV-MRXNPFEDSA-N 1 0 283.331 3.231 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)c1 ZINC000246081262 376962222 /nfs/dbraw/zinc/96/22/22/376962222.db2.gz FIMMOOZBBLKDDI-HUUCEWRRSA-N 1 0 292.404 3.455 20 5 CGBDRO CCO[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000247066385 377152286 /nfs/dbraw/zinc/15/22/86/377152286.db2.gz YBMLZOVWEAXPFF-BYCMXARLSA-N 1 0 292.379 3.449 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247547635 377222782 /nfs/dbraw/zinc/22/27/82/377222782.db2.gz PQASSVUVAJBONB-CZUORRHYSA-N 1 0 291.395 3.072 20 5 CGBDRO COC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000130008774 249046351 /nfs/dbraw/zinc/04/63/51/249046351.db2.gz LQLBEBGEYLFMOS-NUYPLMSZSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]3OCCC[C@@H]23)cc1[N+](=O)[O-] ZINC000250078956 377548072 /nfs/dbraw/zinc/54/80/72/377548072.db2.gz OVAZPFKPSMXVJW-YYWXWVFPSA-N 1 0 290.363 3.121 20 5 CGBDRO CO[C@@H]([C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)C1CC1 ZINC000515422645 249211090 /nfs/dbraw/zinc/21/10/90/249211090.db2.gz DMBXQIQRZHUONF-MKBNYLNASA-N 1 0 292.379 3.367 20 5 CGBDRO COC[C@@H]1CCCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000342711384 377749838 /nfs/dbraw/zinc/74/98/38/377749838.db2.gz AFQHTXPPEHPSMW-ZIAGYGMSSA-N 1 0 292.379 3.404 20 5 CGBDRO C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000262383745 377896342 /nfs/dbraw/zinc/89/63/42/377896342.db2.gz YZYIBYPLADSBQY-MZPVMMEZSA-N 1 0 297.358 3.390 20 5 CGBDRO CCC[C@H]([NH2+]Cc1c([N+](=O)[O-])ncn1C)C1CCCCC1 ZINC000343616821 378041448 /nfs/dbraw/zinc/04/14/48/378041448.db2.gz AAVBUWXZRBXFQM-ZDUSSCGKSA-N 1 0 294.399 3.167 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CCC2)C2CC2)cc1 ZINC000343920333 378134068 /nfs/dbraw/zinc/13/40/68/378134068.db2.gz ACXWWGYBAOTACJ-UHFFFAOYSA-N 1 0 260.337 3.359 20 5 CGBDRO CC(C)(C)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000270667606 378384473 /nfs/dbraw/zinc/38/44/73/378384473.db2.gz PSYHGWZUYLXMCC-DZGCQCFKSA-N 1 0 292.379 3.278 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000584480269 378387794 /nfs/dbraw/zinc/38/77/94/378387794.db2.gz VTHGJVXKDQQARK-RISCZKNCSA-N 1 0 290.363 3.129 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)Cc1cc(OC)c(OC)cc1[N+](=O)[O-] ZINC000271054723 378441703 /nfs/dbraw/zinc/44/17/03/378441703.db2.gz CMKDOIVPSHKPFY-LLVKDONJSA-N 1 0 296.367 3.232 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000272586121 378671767 /nfs/dbraw/zinc/67/17/67/378671767.db2.gz WTBFDYRJSGBANW-HZSPNIEDSA-N 1 0 292.379 3.200 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000348331590 378913257 /nfs/dbraw/zinc/91/32/57/378913257.db2.gz VVNBCNQEKQLPBJ-UHTWSYAYSA-N 1 0 266.316 3.444 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)[C@H]2CCCOC2)cc1[N+](=O)[O-] ZINC000348699022 379021691 /nfs/dbraw/zinc/02/16/91/379021691.db2.gz ABYXCSPLACYYIP-AWEZNQCLSA-N 1 0 292.379 3.329 20 5 CGBDRO CC(C)[C@H]1C[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])CS1 ZINC000277223763 379103933 /nfs/dbraw/zinc/10/39/33/379103933.db2.gz LPBZVFCVXRXLKX-DZGCQCFKSA-N 1 0 294.420 3.257 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266544471 190266190 /nfs/dbraw/zinc/26/61/90/190266190.db2.gz RJMNWEGTNOZKFU-CHWSQXEVSA-N 1 0 278.352 3.014 20 5 CGBDRO CO[C@@]1(C)CCC[N@H+](Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000280229180 379648895 /nfs/dbraw/zinc/64/88/95/379648895.db2.gz AGXXFNPHBDCGJY-INIZCTEOSA-N 1 0 292.379 3.294 20 5 CGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)CC1 ZINC000377242779 379652533 /nfs/dbraw/zinc/65/25/33/379652533.db2.gz SNKXXGOQYVLBLY-GFCCVEGCSA-N 1 0 298.770 3.249 20 5 CGBDRO O=[N+]([O-])c1ccccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000267199352 190310844 /nfs/dbraw/zinc/31/08/44/190310844.db2.gz OEVCASRQPIWFFC-UHFFFAOYSA-N 1 0 289.379 3.414 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000388248399 379882163 /nfs/dbraw/zinc/88/21/63/379882163.db2.gz UZIKCQRMWPBLJA-HFAKWTLXSA-N 1 0 278.352 3.059 20 5 CGBDRO C[C@H]1CSC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000352797190 379965664 /nfs/dbraw/zinc/96/56/64/379965664.db2.gz ICOZGDBOJIBQQP-UFBFGSQYSA-N 1 0 286.784 3.089 20 5 CGBDRO CCN(Cc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000286112722 380160546 /nfs/dbraw/zinc/16/05/46/380160546.db2.gz VJTKOCAVOYUFMQ-UHFFFAOYSA-N 1 0 258.268 3.103 20 5 CGBDRO Cc1occc1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000414463907 380246693 /nfs/dbraw/zinc/24/66/93/380246693.db2.gz XBALPUUGWOGYLF-JTQLQIEISA-N 1 0 260.293 3.347 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353963904 380256200 /nfs/dbraw/zinc/25/62/00/380256200.db2.gz YVKKIKLBBFSMSN-ZBFHGGJFSA-N 1 0 292.379 3.230 20 5 CGBDRO COC1CCC(C)(C[NH2+]Cc2csc([N+](=O)[O-])c2)CC1 ZINC000355132673 380590481 /nfs/dbraw/zinc/59/04/81/380590481.db2.gz MRJIEOZRBVUVDR-UHFFFAOYSA-N 1 0 298.408 3.341 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCSC[C@@H]2C2CCC2)c1 ZINC000418132027 380709750 /nfs/dbraw/zinc/70/97/50/380709750.db2.gz XSCOVMUJKPDGSP-OAHLLOKOSA-N 1 0 292.404 3.312 20 5 CGBDRO COc1ccc(C[N@@H+]2C[C@H](C)[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000418125403 380708101 /nfs/dbraw/zinc/70/81/01/380708101.db2.gz JGDSWHJWLHINFM-QJPTWQEYSA-N 1 0 278.352 3.080 20 5 CGBDRO C[C@@H]1COc2ccccc2CN1Cc1ccc([N+](=O)[O-])cc1 ZINC000359838714 381372720 /nfs/dbraw/zinc/37/27/20/381372720.db2.gz CUGJJVWDYLVLCM-CYBMUJFWSA-N 1 0 298.342 3.378 20 5 CGBDRO CC[C@@H]([NH2+]C[C@@H](O)CCC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000361315423 381688775 /nfs/dbraw/zinc/68/87/75/381688775.db2.gz KKKDTVWXCQXNPS-JKSUJKDBSA-N 1 0 294.395 3.433 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCC2(CC2)CC1 ZINC000362913203 382144990 /nfs/dbraw/zinc/14/49/90/382144990.db2.gz PYAKUPKAMQTMKJ-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2c(Cl)cccc2[N+](=O)[O-])CCC1 ZINC000412018369 533029559 /nfs/dbraw/zinc/02/95/59/533029559.db2.gz BGQXJTQKTLBSFB-JTQLQIEISA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccncc3)CC2)cc1 ZINC000191617541 285112032 /nfs/dbraw/zinc/11/20/32/285112032.db2.gz LGZNIDUPXPKBIS-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC13CC3)CCC2 ZINC000335247829 285145798 /nfs/dbraw/zinc/14/57/98/285145798.db2.gz DWPJUKSGSWFLQR-KGLIPLIRSA-N 1 0 258.321 3.114 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCc3c(O)cccc32)c1 ZINC000191655379 285153560 /nfs/dbraw/zinc/15/35/60/285153560.db2.gz ALNHSOZQOUEGAQ-MRXNPFEDSA-N 1 0 298.342 3.468 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H]2CCCSC2)cc1[N+](=O)[O-] ZINC000288425287 197074225 /nfs/dbraw/zinc/07/42/25/197074225.db2.gz KHDAVZMTQOBYIL-ZDUSSCGKSA-N 1 0 280.393 3.136 20 5 CGBDRO CO[C@H]1CCCC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000441195573 533228169 /nfs/dbraw/zinc/22/81/69/533228169.db2.gz LARHFXTYXFFTIP-YKNXIFKJSA-N 1 0 290.363 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC23CCC3)cc1 ZINC000281974249 195458382 /nfs/dbraw/zinc/45/83/82/195458382.db2.gz BQXBPCGXISLEBN-CQSZACIVSA-N 1 0 260.337 3.060 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000402092246 533388879 /nfs/dbraw/zinc/38/88/79/533388879.db2.gz JMQMBIRABQDLAN-OLZOCXBDSA-N 1 0 278.352 3.062 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@H]1C ZINC000513042001 533385575 /nfs/dbraw/zinc/38/55/75/533385575.db2.gz USVQEGHZCKXFEG-RORWZZOSSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@](O)(C[NH2+]Cc1csc([N+](=O)[O-])c1)C1CCCCC1 ZINC000191668089 130275096 /nfs/dbraw/zinc/27/50/96/130275096.db2.gz CBHKYRYONHSHCK-CQSZACIVSA-N 1 0 298.408 3.077 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192779589 130544716 /nfs/dbraw/zinc/54/47/16/130544716.db2.gz OMPQUFYTYAEGPF-OAHLLOKOSA-N 1 0 292.379 3.113 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)Cc1ccccn1 ZINC000048273138 391997466 /nfs/dbraw/zinc/99/74/66/391997466.db2.gz BTIYLWNGNUISKQ-UHFFFAOYSA-N 1 0 285.347 3.400 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000091100020 392229678 /nfs/dbraw/zinc/22/96/78/392229678.db2.gz ULQHSGTYITUGCP-GFCCVEGCSA-N 1 0 268.382 3.168 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000300404249 392581706 /nfs/dbraw/zinc/58/17/06/392581706.db2.gz KSPOLDBQXVEHBO-DDTOSNHZSA-N 1 0 278.352 3.059 20 5 CGBDRO Cc1cccc2nc(CNc3sccc3[N+](=O)[O-])cn21 ZINC000301930797 392603717 /nfs/dbraw/zinc/60/37/17/392603717.db2.gz KZPRLOZFLKTNKW-UHFFFAOYSA-N 1 0 288.332 3.225 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000180930972 392715485 /nfs/dbraw/zinc/71/54/85/392715485.db2.gz UPNCOQUPPXHJJQ-GHMZBOCLSA-N 1 0 288.351 3.347 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000525275206 392937765 /nfs/dbraw/zinc/93/77/65/392937765.db2.gz WXQHXSMSWSMVTC-IJLUTSLNSA-N 1 0 280.393 3.482 20 5 CGBDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1ccc([N+](=O)[O-])cc1Cl ZINC000466821016 393060842 /nfs/dbraw/zinc/06/08/42/393060842.db2.gz GANLYISEMWTQCY-XPTSAGLGSA-N 1 0 295.770 3.143 20 5 CGBDRO CSC1(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CC1 ZINC000347600252 393107122 /nfs/dbraw/zinc/10/71/22/393107122.db2.gz ZUFXXXKWVBQBRG-UHFFFAOYSA-N 1 0 292.404 3.455 20 5 CGBDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906095 393066912 /nfs/dbraw/zinc/06/69/12/393066912.db2.gz YAMZEGJSZURQEL-CHWSQXEVSA-N 1 0 278.352 3.094 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)[C@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348561774 393125213 /nfs/dbraw/zinc/12/52/13/393125213.db2.gz YADMAZMRCZHOKQ-HOCLYGCPSA-N 1 0 292.379 3.063 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](C)C/C=C\c1ccccc1[N+](=O)[O-] ZINC000263633534 393153158 /nfs/dbraw/zinc/15/31/58/393153158.db2.gz QIKXXOINKKCFSH-HWPRWLFBSA-N 1 0 260.337 3.338 20 5 CGBDRO CC1(C)C[C@H]([NH2+][C@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279169597 393332925 /nfs/dbraw/zinc/33/29/25/393332925.db2.gz UQSBHGXWYSXUND-HZMBPMFUSA-N 1 0 292.404 3.412 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)c1cn[nH]c1 ZINC000278846046 393327155 /nfs/dbraw/zinc/32/71/55/393327155.db2.gz VDEKYCNSVLRKNR-BONVTDFDSA-N 1 0 286.335 3.046 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)C[C@@H](C)[C@H]2C)ccc1[N+](=O)[O-] ZINC000475725333 393413537 /nfs/dbraw/zinc/41/35/37/393413537.db2.gz YCWLQOLBIRWQCJ-JHJVBQTASA-N 1 0 292.379 3.470 20 5 CGBDRO C[C@H]1C[C@H]1C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000488356807 393495850 /nfs/dbraw/zinc/49/58/50/393495850.db2.gz OAALVAWDCQVURM-AAEUAGOBSA-N 1 0 260.337 3.215 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])cc1OC)[C@H](C)C(C)C ZINC000430225543 393543674 /nfs/dbraw/zinc/54/36/74/393543674.db2.gz YIACDKXQFTUWIV-GFCCVEGCSA-N 1 0 280.368 3.470 20 5 CGBDRO CC[C@H]1CCC[C@@H]1[NH2+]CCOc1cccc([N+](=O)[O-])c1 ZINC000429765900 393500343 /nfs/dbraw/zinc/50/03/43/393500343.db2.gz LTUVRWXYYWILNP-WFASDCNBSA-N 1 0 278.352 3.142 20 5 CGBDRO COc1ccc(C[N@H+]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430283061 393558650 /nfs/dbraw/zinc/55/86/50/393558650.db2.gz HZKZXYPWLGBQTE-LLVKDONJSA-N 1 0 276.336 3.001 20 5 CGBDRO C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1(C)CCCC1 ZINC000489878158 393619029 /nfs/dbraw/zinc/61/90/29/393619029.db2.gz ZJARDMYZOKJHAD-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CCOc1cc(C[N@H+](CC)CC2CC2)ccc1[N+](=O)[O-] ZINC000492608860 393760988 /nfs/dbraw/zinc/76/09/88/393760988.db2.gz RHLAPMIOMGPWII-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000493278954 393769973 /nfs/dbraw/zinc/76/99/73/393769973.db2.gz GJRXPHYGLREQLZ-VIFPVBQESA-N 1 0 254.717 3.090 20 5 CGBDRO CC[N@H+](Cc1ccc([N+](=O)[O-])c(OC)c1)[C@H](C)C(C)C ZINC000489197575 397708059 /nfs/dbraw/zinc/70/80/59/397708059.db2.gz OJJJWUZPKUXWJS-GFCCVEGCSA-N 1 0 280.368 3.470 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCO[C@@H](C)C1 ZINC000536178878 288475428 /nfs/dbraw/zinc/47/54/28/288475428.db2.gz JFTUBHKPESQUKB-MELADBBJSA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)(C)C)cc1[N+](=O)[O-] ZINC000090587468 287102956 /nfs/dbraw/zinc/10/29/56/287102956.db2.gz WKKBMIPUSDBZCO-JSGCOSHPSA-N 1 0 294.395 3.351 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCC1CC1)C1CC1 ZINC000090118363 165228044 /nfs/dbraw/zinc/22/80/44/165228044.db2.gz RBEQZSHUANDUAP-HNNXBMFYSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000090359638 165232593 /nfs/dbraw/zinc/23/25/93/165232593.db2.gz RSAXMFDXXADXAL-MFKMUULPSA-N 1 0 293.323 3.171 20 5 CGBDRO C[C@@H]1C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C[C@@H](C)S1 ZINC000092540421 287112458 /nfs/dbraw/zinc/11/24/58/287112458.db2.gz HTZOQDJSTJNJFS-MVTQWGDUSA-N 1 0 292.404 3.434 20 5 CGBDRO CC1(C)C[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])CCS1 ZINC000093504317 287117179 /nfs/dbraw/zinc/11/71/79/287117179.db2.gz SGJSFTNPBOCZEL-FNORWQNLSA-N 1 0 292.404 3.435 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCc3ccccc32)c1 ZINC000020130074 171018628 /nfs/dbraw/zinc/01/86/28/171018628.db2.gz XRRLIEFYENVITD-MRXNPFEDSA-N 1 0 268.316 3.372 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000035677654 172348722 /nfs/dbraw/zinc/34/87/22/172348722.db2.gz HOQZUBAZYIRQLO-UHFFFAOYSA-N 1 0 270.332 3.236 20 5 CGBDRO C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000285439497 196285152 /nfs/dbraw/zinc/28/51/52/196285152.db2.gz CUGAXYXOJCSLDB-DGCLKSJQSA-N 1 0 298.408 3.172 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccn1)c1ccc([N+](=O)[O-])cc1 ZINC000037177044 173010622 /nfs/dbraw/zinc/01/06/22/173010622.db2.gz FJEHKZXOCBWMSK-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](C)N1CCCCC1)c1cccc([N+](=O)[O-])c1 ZINC000038028722 174017549 /nfs/dbraw/zinc/01/75/49/174017549.db2.gz PTSWCXWVMDIQSX-UONOGXRCSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]([NH2+]C[C@H](C)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000038028836 174018882 /nfs/dbraw/zinc/01/88/82/174018882.db2.gz XGOJFKQEHGHESM-KBPBESRZSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000042553847 174791301 /nfs/dbraw/zinc/79/13/01/174791301.db2.gz LSACJPPZFXXLGR-ZYHUDNBSSA-N 1 0 250.342 3.427 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000045652544 175381664 /nfs/dbraw/zinc/38/16/64/175381664.db2.gz JBYXNRJUHKQYLA-LLVKDONJSA-N 1 0 283.759 3.143 20 5 CGBDRO CC(C)COC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000054321896 175557758 /nfs/dbraw/zinc/55/77/58/175557758.db2.gz RHYCZNXNUDVNAL-UHFFFAOYSA-N 1 0 292.379 3.232 20 5 CGBDRO CSCCC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000069433033 175829439 /nfs/dbraw/zinc/82/94/39/175829439.db2.gz QDBOGDFUNOONDG-NSHDSACASA-N 1 0 268.382 3.307 20 5 CGBDRO Cc1cccnc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000071339557 176129830 /nfs/dbraw/zinc/12/98/30/176129830.db2.gz SIOJYGFDYRGHKH-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N(C)C1CC1 ZINC000130965282 287367696 /nfs/dbraw/zinc/36/76/96/287367696.db2.gz XGKLEYHYXGDJPO-QWHCGFSZSA-N 1 0 291.395 3.037 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH+]2CCC(OC3CCC3)CC2)c1 ZINC000418091045 228026702 /nfs/dbraw/zinc/02/67/02/228026702.db2.gz FOIBHXTUXLTJGJ-UHFFFAOYSA-N 1 0 290.363 3.128 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1[C@H](C)C[C@@H]1C ZINC000525997431 270121960 /nfs/dbraw/zinc/12/19/60/270121960.db2.gz RVPGQSFEUXBTAJ-UUSKSKHGSA-N 1 0 260.337 3.481 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000532780097 270219346 /nfs/dbraw/zinc/21/93/46/270219346.db2.gz SMNJJIFITOPBMQ-QWHCGFSZSA-N 1 0 292.379 3.471 20 5 CGBDRO CC(C)C[NH+]1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000301063916 273513259 /nfs/dbraw/zinc/51/32/59/273513259.db2.gz VYNGUNKNYANWQE-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1C[C@H](C)O[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000295044793 273752828 /nfs/dbraw/zinc/75/28/28/273752828.db2.gz AFJZKFOGACLHQO-IDTSFGKNSA-N 1 0 278.352 3.201 20 5 CGBDRO O=[N+]([O-])c1cc2ccccc2nc1N1CCc2c[nH+]ccc21 ZINC000352354862 275034487 /nfs/dbraw/zinc/03/44/87/275034487.db2.gz FIXMLRQPLIYYPL-UHFFFAOYSA-N 1 0 292.298 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1Cc3ccccc31)CC2 ZINC000347039173 275037757 /nfs/dbraw/zinc/03/77/57/275037757.db2.gz VYDGUMFCZSYGCB-INIZCTEOSA-N 1 0 294.354 3.293 20 5 CGBDRO CO[C@H](C)CC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433159523 277706054 /nfs/dbraw/zinc/70/60/54/277706054.db2.gz MFKNYPUANJVKGW-ABAIWWIYSA-N 1 0 292.379 3.332 20 5 CGBDRO CC(C)c1ccc(C[NH2+][C@H]2CCSC2)cc1[N+](=O)[O-] ZINC000330685673 278037699 /nfs/dbraw/zinc/03/76/99/278037699.db2.gz RREJTCXLLSPQNE-LBPRGKRZSA-N 1 0 280.393 3.313 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000245592332 278277972 /nfs/dbraw/zinc/27/79/72/278277972.db2.gz LOCJMSVEWSVXCX-OPDFLTKYSA-N 1 0 278.352 3.201 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000037177075 278364870 /nfs/dbraw/zinc/36/48/70/278364870.db2.gz NOUINZDSJGRYJU-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)c1ccncc1 ZINC000037177027 278364946 /nfs/dbraw/zinc/36/49/46/278364946.db2.gz HTYNCIQTTRWKDW-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000453415238 279275174 /nfs/dbraw/zinc/27/51/74/279275174.db2.gz UCPKVXNBIHPXTO-VNHYZAJKSA-N 1 0 292.379 3.073 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)N[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000516219083 288128811 /nfs/dbraw/zinc/12/88/11/288128811.db2.gz RAPQCLRNRYWLBS-KBPBESRZSA-N 1 0 293.411 3.366 20 5 CGBDRO C[C@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000348250413 280108926 /nfs/dbraw/zinc/10/89/26/280108926.db2.gz YWNPMGCBRHQUBY-GXSJLCMTSA-N 1 0 288.269 3.368 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@H]2[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000502282628 280177413 /nfs/dbraw/zinc/17/74/13/280177413.db2.gz OJJDYMBADLPACV-BMFZPTHFSA-N 1 0 274.364 3.306 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCCO1 ZINC000090859480 280192726 /nfs/dbraw/zinc/19/27/26/280192726.db2.gz NEUMYYGBYSCINE-GLQYFDAESA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCSCC1 ZINC000182659093 281021457 /nfs/dbraw/zinc/02/14/57/281021457.db2.gz NIKMXFAIVWYLBF-NSHDSACASA-N 1 0 266.366 3.013 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000539293729 288609405 /nfs/dbraw/zinc/60/94/05/288609405.db2.gz WUZAKTOHYFKRAC-IVMMDQJWSA-N 1 0 292.379 3.369 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[C@@H]1F ZINC000551306557 289110226 /nfs/dbraw/zinc/11/02/26/289110226.db2.gz MYEALJPWUPOGFV-KWCYVHTRSA-N 1 0 280.343 3.396 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NC1CC([NH+]2CCCCC2)C1 ZINC000553209524 289213016 /nfs/dbraw/zinc/21/30/16/289213016.db2.gz KYPONOIEGMELCX-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H](C)CC ZINC000556379653 289388837 /nfs/dbraw/zinc/38/88/37/289388837.db2.gz NEHRLZIOPWVSEZ-LBPRGKRZSA-N 1 0 280.368 3.471 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1CC[C@@H](F)C1)C1CC1 ZINC000562056696 289671351 /nfs/dbraw/zinc/67/13/51/289671351.db2.gz TYZZMKISTJZIOS-KFWWJZLASA-N 1 0 292.354 3.396 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000268340626 290267812 /nfs/dbraw/zinc/26/78/12/290267812.db2.gz PDOHRMZHNCBXJU-AGIUHOORSA-N 1 0 260.337 3.388 20 5 CGBDRO Cc1c(C[NH2+]Cc2ccc3c(n2)CCC3)cccc1[N+](=O)[O-] ZINC000580046244 327682233 /nfs/dbraw/zinc/68/22/33/327682233.db2.gz LSDANAOZSCOWBI-UHFFFAOYSA-N 1 0 297.358 3.077 20 5 CGBDRO Cc1c(C[NH+]2C[C@H]3CCC[C@@H]3C2)cccc1[N+](=O)[O-] ZINC000153274322 321716505 /nfs/dbraw/zinc/71/65/05/321716505.db2.gz UEKMDCPFEGDDDE-ZIAGYGMSSA-N 1 0 260.337 3.135 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCOCC1CC1 ZINC000162871523 321887627 /nfs/dbraw/zinc/88/76/27/321887627.db2.gz UCTZOXVPWNFUNZ-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]2F)cc1[N+](=O)[O-] ZINC000564233089 322023970 /nfs/dbraw/zinc/02/39/70/322023970.db2.gz WCKQUVPDNIZLMR-KGYLQXTDSA-N 1 0 266.316 3.444 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCCC23CCC3)cc1 ZINC000565344350 322073977 /nfs/dbraw/zinc/07/39/77/322073977.db2.gz JZUGJJWVYZCKPB-OAHLLOKOSA-N 1 0 290.363 3.286 20 5 CGBDRO CC[C@@H](NCCC[NH2+]C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000566088413 322103876 /nfs/dbraw/zinc/10/38/76/322103876.db2.gz MATJWARZIRBJRT-OAHLLOKOSA-N 1 0 279.384 3.024 20 5 CGBDRO CCC[C@H](CC)[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000566108529 322104462 /nfs/dbraw/zinc/10/44/62/322104462.db2.gz FVQHJKLVRCRGTM-LBPRGKRZSA-N 1 0 293.367 3.092 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cs1 ZINC000567384404 322161369 /nfs/dbraw/zinc/16/13/69/322161369.db2.gz FWVVOGPAVWDNMP-NXEZZACHSA-N 1 0 258.318 3.027 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000572463452 322338397 /nfs/dbraw/zinc/33/83/97/322338397.db2.gz UGNTXIXDFDGDEW-RFGFWPKPSA-N 1 0 292.379 3.367 20 5 CGBDRO CC(C)(C)OCC[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000575826949 322492138 /nfs/dbraw/zinc/49/21/38/322492138.db2.gz QEBIVLRZSFWFFH-OAHLLOKOSA-N 1 0 292.379 3.377 20 5 CGBDRO CCOC[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])C(C)C ZINC000576240070 335176494 /nfs/dbraw/zinc/17/64/94/335176494.db2.gz RDNCHTIMJMCDQF-LSDHHAIUSA-N 1 0 292.379 3.233 20 5 CGBDRO Cc1cncc(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000193055970 335293567 /nfs/dbraw/zinc/29/35/67/335293567.db2.gz RIBBHCWKJOLFCJ-QGZVFWFLSA-N 1 0 297.358 3.465 20 5 CGBDRO Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)c(F)cc1[N+](=O)[O-] ZINC000380681843 336016541 /nfs/dbraw/zinc/01/65/41/336016541.db2.gz CJQBHUBHZMAZNR-NSHDSACASA-N 1 0 283.347 3.183 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCO1 ZINC000581201031 336024146 /nfs/dbraw/zinc/02/41/46/336024146.db2.gz WRSYYQUCCLQSOD-LALPHHSUSA-N 1 0 290.363 3.129 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000384261844 336123109 /nfs/dbraw/zinc/12/31/09/336123109.db2.gz LNVMFJQSPINPQT-HZMBPMFUSA-N 1 0 266.316 3.354 20 5 CGBDRO C[C@H]([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000355769012 533788624 /nfs/dbraw/zinc/78/86/24/533788624.db2.gz QIQKUPQQAASBKH-MFOKFAIFSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449172813 534258043 /nfs/dbraw/zinc/25/80/43/534258043.db2.gz MMABYCQELKCSAR-KBPBESRZSA-N 1 0 299.374 3.142 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)c1 ZINC000094371919 527386465 /nfs/dbraw/zinc/38/64/65/527386465.db2.gz IHTPJGUPGNBULD-AWEZNQCLSA-N 1 0 290.363 3.176 20 5 CGBDRO CCC[N@H+](CC)CCN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000156790214 527978845 /nfs/dbraw/zinc/97/88/45/527978845.db2.gz WGCBOASAGPQRTH-AWEZNQCLSA-N 1 0 293.411 3.286 20 5 CGBDRO CC(C)C[C@H]1CCCCC[N@@H+]1CCn1ccc([N+](=O)[O-])n1 ZINC000176260512 528584098 /nfs/dbraw/zinc/58/40/98/528584098.db2.gz LNHORNBZSIXSFI-CQSZACIVSA-N 1 0 294.399 3.082 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])OC ZINC000449373940 528957767 /nfs/dbraw/zinc/95/77/67/528957767.db2.gz CZNQSMPQDMBUBD-ZFWWWQNUSA-N 1 0 294.395 3.321 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449401594 529247940 /nfs/dbraw/zinc/24/79/40/529247940.db2.gz HTPOATJSPVGMFL-XEZPLFJOSA-N 1 0 294.395 3.177 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21)OC ZINC000453297142 535827224 /nfs/dbraw/zinc/82/72/24/535827224.db2.gz HPTIHTNALFXQRL-JKSUJKDBSA-N 1 0 292.379 3.377 20 5 CGBDRO COC1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000459691967 536738338 /nfs/dbraw/zinc/73/83/38/536738338.db2.gz VKKZQJQQZQQREE-GRTSSRMGSA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H]1CCCCC[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000738227756 572367856 /nfs/dbraw/zinc/36/78/56/572367856.db2.gz YYTMXAWEQVBEFT-GFCCVEGCSA-N 1 0 288.351 3.167 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+](CC1CC1)CC1CC1 ZINC000734487161 572659399 /nfs/dbraw/zinc/65/93/99/572659399.db2.gz GGLOMWZHEVVACG-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCC3(CCCC3)C2)cc1 ZINC000743863885 572692598 /nfs/dbraw/zinc/69/25/98/572692598.db2.gz AYKJCGHIDWWAEV-UHFFFAOYSA-N 1 0 274.364 3.403 20 5 CGBDRO CC(C)CC[N@H+](Cn1cc([N+](=O)[O-])cn1)C1CCCC1 ZINC000746063729 572849352 /nfs/dbraw/zinc/84/93/52/572849352.db2.gz BZZHKAWUKXRUBM-UHFFFAOYSA-N 1 0 280.372 3.040 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746753930 572894932 /nfs/dbraw/zinc/89/49/32/572894932.db2.gz IVLHKEBPDGDVQS-WCQYABFASA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2ccc(O)c(Cl)c2)c1 ZINC000052926257 618739119 /nfs/dbraw/zinc/73/91/19/618739119.db2.gz UATOFXCOWHBAFY-UHFFFAOYSA-N 1 0 292.722 3.244 20 5 CGBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000310286140 618785954 /nfs/dbraw/zinc/78/59/54/618785954.db2.gz MHGCCJVMOPUQEW-KWQFWETISA-N 1 0 299.168 3.245 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177521829 618826522 /nfs/dbraw/zinc/82/65/22/618826522.db2.gz ZQKSCGJCFQUPCC-VXGBXAGGSA-N 1 0 278.327 3.356 20 5 CGBDRO CC[C@H](C[C@](C)(O)CC)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000925643581 619102913 /nfs/dbraw/zinc/10/29/13/619102913.db2.gz XBDXFWMSROEIMU-GDBMZVCRSA-N 1 0 294.395 3.057 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498949 619553967 /nfs/dbraw/zinc/55/39/67/619553967.db2.gz MIRCELAJBQCHFX-CMPLNLGQSA-N 1 0 294.351 3.072 20 5 CGBDRO CC1(C)C[C@@]1(C)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000895534469 619843025 /nfs/dbraw/zinc/84/30/25/619843025.db2.gz IWELZPJSTMYCRM-HNNXBMFYSA-N 1 0 289.335 3.262 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000897458935 620339393 /nfs/dbraw/zinc/33/93/93/620339393.db2.gz GHPWXTJOBLGHDS-SMDDNHRTSA-N 1 0 262.353 3.477 20 5 CGBDRO C[C@@H](C[NH2+][C@@H](C)c1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000897466022 620340635 /nfs/dbraw/zinc/34/06/35/620340635.db2.gz MJRHAZUMZMWPEJ-STQMWFEESA-N 1 0 285.347 3.444 20 5 CGBDRO C[C@H](C[NH2+]CC(C)(C)C)c1ccccc1[N+](=O)[O-] ZINC000897469264 620341794 /nfs/dbraw/zinc/34/17/94/620341794.db2.gz HBNCXZVHQSYRSB-LLVKDONJSA-N 1 0 250.342 3.334 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCc1cccnc1C ZINC000898249933 620497329 /nfs/dbraw/zinc/49/73/29/620497329.db2.gz IGWJBXFMIZJVAL-UHFFFAOYSA-N 1 0 299.374 3.247 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H](C)C2CC2)cc([N+](=O)[O-])c1 ZINC000903060375 621549297 /nfs/dbraw/zinc/54/92/97/621549297.db2.gz XSJAFGIUAYHUOO-NXEZZACHSA-N 1 0 264.325 3.053 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CC=CCC2)cc([N+](=O)[O-])c1 ZINC000903118579 621588540 /nfs/dbraw/zinc/58/85/40/621588540.db2.gz FLMTVGWOIUDGCB-AAEUAGOBSA-N 1 0 276.336 3.363 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC2(C)CC2)cc([N+](=O)[O-])c1 ZINC000903123496 621589688 /nfs/dbraw/zinc/58/96/88/621589688.db2.gz CCMCTMOQTXVPRF-JTQLQIEISA-N 1 0 264.325 3.054 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H](c2ccccn2)C2CC2)c1 ZINC000903128800 621591460 /nfs/dbraw/zinc/59/14/60/621591460.db2.gz BIRRZBXHQVOECH-KRWDZBQOSA-N 1 0 297.358 3.273 20 5 CGBDRO COC1([C@H](C)[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000903247105 621649448 /nfs/dbraw/zinc/64/94/48/621649448.db2.gz YSIIKUGRMKMNAV-OLZOCXBDSA-N 1 0 292.379 3.246 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)[C@@H]1CCCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903286913 621670030 /nfs/dbraw/zinc/67/00/30/621670030.db2.gz JFQYMDMUOIDTAR-MBNYWOFBSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)C[C@H]1CCOC1)c1ccc([N+](=O)[O-])cc1 ZINC000903288289 621672009 /nfs/dbraw/zinc/67/20/09/621672009.db2.gz WJHHZQWKCXWAKQ-YNEHKIRRSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)([NH3+])c1ccc(NCc2ccc([N+](=O)[O-])cc2)cc1 ZINC000904470802 621925800 /nfs/dbraw/zinc/92/58/00/621925800.db2.gz BYAQZQVBEIAOEA-UHFFFAOYSA-N 1 0 285.347 3.401 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000057993554 622894821 /nfs/dbraw/zinc/89/48/21/622894821.db2.gz QUFAVQPBHARULQ-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO CO[C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)C1(C)C ZINC000227830281 623032037 /nfs/dbraw/zinc/03/20/37/623032037.db2.gz ATQQCHAKFYDGHE-OLZOCXBDSA-N 1 0 298.770 3.151 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCCC1 ZINC000070306932 624997429 /nfs/dbraw/zinc/99/74/29/624997429.db2.gz ACGAZWRHMFXKEY-SNVBAGLBSA-N 1 0 266.316 3.402 20 5 CGBDRO CCCC[N@H+](CC)Cn1nc(C)c2ccc([N+](=O)[O-])cc21 ZINC000761281504 627030435 /nfs/dbraw/zinc/03/04/35/627030435.db2.gz VEDXEITXTRZHHF-UHFFFAOYSA-N 1 0 290.367 3.332 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000765849381 627275285 /nfs/dbraw/zinc/27/52/85/627275285.db2.gz PVQDBWZMLXHQEX-JMSVASOKSA-N 1 0 292.379 3.043 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000774833316 628035990 /nfs/dbraw/zinc/03/59/90/628035990.db2.gz RNLMHIVEDBJKOY-IINYFYTJSA-N 1 0 298.770 3.153 20 5 CGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000776252544 628184382 /nfs/dbraw/zinc/18/43/82/628184382.db2.gz FPZPNUPKSPJBDR-LSDHHAIUSA-N 1 0 292.379 3.278 20 5 CGBDRO C[C@H]1C[C@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783653290 628736131 /nfs/dbraw/zinc/73/61/31/628736131.db2.gz ZZHMJOIWMQGSJU-CMPLNLGQSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)([NH2+]Cc1cc(F)ccc1[N+](=O)[O-])C1CCOCC1 ZINC000786153362 628916556 /nfs/dbraw/zinc/91/65/56/628916556.db2.gz PZIFUGPFYTTXGA-UHFFFAOYSA-N 1 0 296.342 3.029 20 5 CGBDRO C[NH+](C)CCN(c1ccc([N+](=O)[O-])cc1F)C1CCCC1 ZINC000786553942 628947882 /nfs/dbraw/zinc/94/78/82/628947882.db2.gz DUOOLHKVEWXUOS-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO C[C@@H]([NH2+]CCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788498246 629059299 /nfs/dbraw/zinc/05/92/99/629059299.db2.gz MCNCMVQEDSFJBN-GFCCVEGCSA-N 1 0 285.347 3.070 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1CCNc1ccc([N+](=O)[O-])cc1C(F)F ZINC000865565373 630191868 /nfs/dbraw/zinc/19/18/68/630191868.db2.gz WNRYNGFOKLCIMH-SNVBAGLBSA-N 1 0 299.321 3.429 20 5 CGBDRO CC(C)(C)SCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000801936267 630370293 /nfs/dbraw/zinc/37/02/93/630370293.db2.gz LSLDNBIPIMBZML-UHFFFAOYSA-N 1 0 294.420 3.485 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC12CCCC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815620228 631807424 /nfs/dbraw/zinc/80/74/24/631807424.db2.gz KQKODVUDLDTJBO-IINYFYTJSA-N 1 0 275.352 3.160 20 5 CGBDRO CC(C)CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819148903 632388983 /nfs/dbraw/zinc/38/89/83/632388983.db2.gz DVXAVZZMHTURIK-HNNXBMFYSA-N 1 0 292.379 3.044 20 5 CGBDRO C[C@@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000824462977 633248105 /nfs/dbraw/zinc/24/81/05/633248105.db2.gz WJHHZQWKCXWAKQ-RWMBFGLXSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1Cl ZINC000827131704 633462346 /nfs/dbraw/zinc/46/23/46/633462346.db2.gz AAFFJBCFSTVTKH-LLVKDONJSA-N 1 0 296.754 3.049 20 5 CGBDRO CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827708299 633511423 /nfs/dbraw/zinc/51/14/23/633511423.db2.gz XHXPZJZSJMLVSU-LLVKDONJSA-N 1 0 298.770 3.153 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(OCCCCCCC[NH3+])c1 ZINC000830291010 633847414 /nfs/dbraw/zinc/84/74/14/633847414.db2.gz IAPYXXSBSUNRKX-UHFFFAOYSA-N 1 0 266.341 3.191 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccccc1[N+](=O)[O-] ZINC000871931492 633919564 /nfs/dbraw/zinc/91/95/64/633919564.db2.gz GFWCJHTUSLFVTD-WFGGJUAMSA-N 1 0 290.363 3.203 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000831170445 633922228 /nfs/dbraw/zinc/92/22/28/633922228.db2.gz SLAPIDLAJQUOQR-CABCVRRESA-N 1 0 294.395 3.433 20 5 CGBDRO CC(C)OCCC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872018032 633938476 /nfs/dbraw/zinc/93/84/76/633938476.db2.gz HSZPIFFQDFTHGQ-NSHDSACASA-N 1 0 284.331 3.200 20 5 CGBDRO CCOCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872024989 633945210 /nfs/dbraw/zinc/94/52/10/633945210.db2.gz GBNIHYQKTFHTSP-JTQLQIEISA-N 1 0 284.381 3.004 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])c(F)c2)C1(C)C ZINC000831348111 633945858 /nfs/dbraw/zinc/94/58/58/633945858.db2.gz SSZWXRLYICOYQD-UKRRQHHQSA-N 1 0 296.342 3.027 20 5 CGBDRO CCC[C@H](O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872033356 633951764 /nfs/dbraw/zinc/95/17/64/633951764.db2.gz BRPHUQAUGCIIQV-PWSUYJOCSA-N 1 0 298.408 3.128 20 5 CGBDRO CC[C@H](CCO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872037345 633956774 /nfs/dbraw/zinc/95/67/74/633956774.db2.gz DOBBUBQONJDUJQ-GHMZBOCLSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872044311 633968125 /nfs/dbraw/zinc/96/81/25/633968125.db2.gz TZQNXSKPECVPPG-GRYCIOLGSA-N 1 0 296.342 3.200 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CSC[C@@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872071902 633993645 /nfs/dbraw/zinc/99/36/45/633993645.db2.gz ZRMFQBOOSFJRBR-ATZCPNFKSA-N 1 0 284.356 3.136 20 5 CGBDRO CSCCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873057103 634238973 /nfs/dbraw/zinc/23/89/73/634238973.db2.gz VRJABTODCCIKAC-UHFFFAOYSA-N 1 0 282.409 3.444 20 5 CGBDRO CC1(C)CO[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000873155038 634263158 /nfs/dbraw/zinc/26/31/58/634263158.db2.gz DPQPYFIHQYEYJK-BRLPQQTGSA-N 1 0 290.363 3.013 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CCO[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000873183786 634273185 /nfs/dbraw/zinc/27/31/85/634273185.db2.gz HXZQLBPQESKQDP-YNEHKIRRSA-N 1 0 278.352 3.061 20 5 CGBDRO CC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC(F)(F)C1 ZINC000873197956 634282480 /nfs/dbraw/zinc/28/24/80/634282480.db2.gz KCJMLHVHQPWCGT-GQCTYLIASA-N 1 0 282.290 3.385 20 5 CGBDRO CC1(C)CCC[C@@H]([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877463697 635045854 /nfs/dbraw/zinc/04/58/54/635045854.db2.gz FFVVKONHFOFRCR-PNESKVBLSA-N 1 0 292.383 3.053 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(F)F ZINC000877557810 635089196 /nfs/dbraw/zinc/08/91/96/635089196.db2.gz QASVLAQXWRTTIC-YGOYTEALSA-N 1 0 270.279 3.289 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C3CSC3)o2)c1 ZINC000877635496 635124868 /nfs/dbraw/zinc/12/48/68/635124868.db2.gz UDEDTYOSNROXFC-UHFFFAOYSA-N 1 0 290.344 3.060 20 5 CGBDRO Cc1cc(NCC2([NH+](C)C)CC2)c(Cl)cc1[N+](=O)[O-] ZINC000842047884 635265311 /nfs/dbraw/zinc/26/53/11/635265311.db2.gz WSVVJQNZVXPLSK-UHFFFAOYSA-N 1 0 283.759 3.063 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC2(CCC2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000878356261 635473041 /nfs/dbraw/zinc/47/30/41/635473041.db2.gz SKKDIKOTZNKSGJ-WFASDCNBSA-N 1 0 290.363 3.205 20 5 CGBDRO C[C@H]([NH2+]CC1CCC(F)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000842929396 635514431 /nfs/dbraw/zinc/51/44/31/635514431.db2.gz PVTAMYUHIVXTJW-ZBOXLXRLSA-N 1 0 295.358 3.356 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CF)C1 ZINC000880232109 635944559 /nfs/dbraw/zinc/94/45/59/635944559.db2.gz GXLTUGSHVZIFNL-NWDGAFQWSA-N 1 0 266.316 3.337 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000848566244 636609175 /nfs/dbraw/zinc/60/91/75/636609175.db2.gz ZZRTTWASYQBWMO-QWHCGFSZSA-N 1 0 285.347 3.272 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850394052 637045535 /nfs/dbraw/zinc/04/55/35/637045535.db2.gz ZSLBONCRRIRVOB-PTEHBNRSSA-N 1 0 266.728 3.136 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[N@@H+]1CCCC[C@@H]1C1CCC1 ZINC000886267172 637472970 /nfs/dbraw/zinc/47/29/70/637472970.db2.gz HOALSCWCYHEPLA-CQSZACIVSA-N 1 0 275.352 3.144 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1cc(C2CC2)no1 ZINC000886271979 637476516 /nfs/dbraw/zinc/47/65/16/637476516.db2.gz CECFFSOMIQXAHD-HYXAFXHYSA-N 1 0 299.330 3.263 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@@H]2CCC3(CCC3)CO2)c1 ZINC000886319526 637498745 /nfs/dbraw/zinc/49/87/45/637498745.db2.gz HADHKLYKECFLGD-HNNXBMFYSA-N 1 0 290.363 3.034 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+]C1(C2CC2)CCC1 ZINC000887148503 637762404 /nfs/dbraw/zinc/76/24/04/637762404.db2.gz GAPWQQGLASEZNC-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])N1CCC(C)([NH+](C)C)CC1 ZINC000931350822 639138855 /nfs/dbraw/zinc/13/88/55/639138855.db2.gz ABBADANAVLBXJR-CYBMUJFWSA-N 1 0 291.395 3.072 20 5 CGBDRO CC(C)(C)OC[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000932163913 639282293 /nfs/dbraw/zinc/28/22/93/639282293.db2.gz PTBDXWQFCSSPSB-CQSZACIVSA-N 1 0 292.379 3.374 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CCOC23CCCC3)cccc1[N+](=O)[O-] ZINC000934394025 639601476 /nfs/dbraw/zinc/60/14/76/639601476.db2.gz GCTSLSNBNFDHTC-OAHLLOKOSA-N 1 0 290.363 3.095 20 5 CGBDRO C[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2C(F)F)CC[N@@H+]1C ZINC000158432553 640005386 /nfs/dbraw/zinc/00/53/86/640005386.db2.gz AUVZPQAAGVOTAA-VHSXEESVSA-N 1 0 299.321 3.427 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)[C@H]1C ZINC000246460097 640675127 /nfs/dbraw/zinc/67/51/27/640675127.db2.gz CGRYDWKCSYITJC-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO CC(C)N(CCC[NH3+])c1ccc2ccc3cccnc3c2n1 ZINC001156118729 805654843 /nfs/dbraw/zinc/65/48/43/805654843.db2.gz WCNSKJPVEKNRNS-UHFFFAOYSA-N 1 0 294.402 3.347 20 5 CGBDRO CCCC[NH+](CCCC)CCNc1cccc([N+](=O)[O-])n1 ZINC001156905202 805749067 /nfs/dbraw/zinc/74/90/67/805749067.db2.gz NLQZROFUZSZJND-UHFFFAOYSA-N 1 0 294.399 3.304 20 5 CGBDRO CC1(C)C[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1(C)C ZINC001252638744 806097320 /nfs/dbraw/zinc/09/73/20/806097320.db2.gz XWEJTMUJYBEMFA-UHFFFAOYSA-N 1 0 278.352 3.094 20 5 CGBDRO [NH3+]Cc1ccc(Nc2ccc([N+](=O)[O-])cc2Cl)cc1 ZINC001159484386 806111386 /nfs/dbraw/zinc/11/13/86/806111386.db2.gz KITLHFVBWNXECY-UHFFFAOYSA-N 1 0 277.711 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1Nc1ccc(O[C@H]2CC[NH2+]C2)cc1 ZINC001159923970 806200881 /nfs/dbraw/zinc/20/08/81/806200881.db2.gz SESBCFMAMMFJNU-AWEZNQCLSA-N 1 0 299.330 3.079 20 5 CGBDRO Cc1cccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC001254533036 806444202 /nfs/dbraw/zinc/44/42/02/806444202.db2.gz IYUZTSZCLWLRFH-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])NC(=[NH2+])C(C)(C)C ZINC001254533087 806444644 /nfs/dbraw/zinc/44/46/44/806444644.db2.gz UXXLZBFKAPJWKZ-SNVBAGLBSA-N 1 0 263.341 3.139 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1cscn1 ZINC001254534717 806445421 /nfs/dbraw/zinc/44/54/21/806445421.db2.gz BXFBINFKGXFTQG-GHMZBOCLSA-N 1 0 291.376 3.333 20 5 CGBDRO CO[C@H]1CC[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254540739 806446209 /nfs/dbraw/zinc/44/62/09/806446209.db2.gz VKKZQJQQZQQREE-BPLDGKMQSA-N 1 0 292.379 3.073 20 5 CGBDRO Cc1ccnc(CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])c1 ZINC001254539998 806446422 /nfs/dbraw/zinc/44/64/22/806446422.db2.gz OIHDAWVNYQLCBH-AWEZNQCLSA-N 1 0 299.374 3.062 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCC1(C)C ZINC001254550713 806447904 /nfs/dbraw/zinc/44/79/04/806447904.db2.gz PJWFWJSCURTHRA-LBPRGKRZSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@@](C)(F)C1 ZINC001254553777 806449372 /nfs/dbraw/zinc/44/93/72/806449372.db2.gz YXXCTCVPKRZBLI-IUODEOHRSA-N 1 0 280.343 3.350 20 5 CGBDRO CC[C@@H]1CCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562421 806451364 /nfs/dbraw/zinc/45/13/64/806451364.db2.gz MFHTYBQNZZPVPW-TZMCWYRMSA-N 1 0 262.353 3.400 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCc3ccccc31)C2 ZINC001254571744 806452746 /nfs/dbraw/zinc/45/27/46/806452746.db2.gz BBQRKZQHZMHIEG-MAUKXSAKSA-N 1 0 294.354 3.339 20 5 CGBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254568422 806452815 /nfs/dbraw/zinc/45/28/15/806452815.db2.gz FQVSMQAYHBFTEP-QWHCGFSZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)CC12CC2 ZINC001254566177 806453012 /nfs/dbraw/zinc/45/30/12/806453012.db2.gz RJLFAXMMPGOYFA-STQMWFEESA-N 1 0 274.364 3.400 20 5 CGBDRO Cc1csc(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)c1 ZINC001254567878 806453399 /nfs/dbraw/zinc/45/33/99/806453399.db2.gz QNSQVPOULCIJQL-CYBMUJFWSA-N 1 0 288.372 3.222 20 5 CGBDRO C[N@H+](Cc1cccs1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601344 806458422 /nfs/dbraw/zinc/45/84/22/806458422.db2.gz YKECROYTXCPJGX-AWEZNQCLSA-N 1 0 288.372 3.256 20 5 CGBDRO CCCCC[N@H+](C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601056 806458842 /nfs/dbraw/zinc/45/88/42/806458842.db2.gz XTKIAENVRYKSPI-OAHLLOKOSA-N 1 0 262.353 3.184 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCCCCCC1)C2 ZINC001254603884 806459782 /nfs/dbraw/zinc/45/97/82/806459782.db2.gz REBIPBAOODRPKZ-INIZCTEOSA-N 1 0 274.364 3.328 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCc1cnoc1C ZINC001162273050 806547188 /nfs/dbraw/zinc/54/71/88/806547188.db2.gz UMGMLAGBTYPNBU-UHFFFAOYSA-N 1 0 274.388 3.191 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Nc1cc(C)sc1[N+](=O)[O-] ZINC001162308238 806550945 /nfs/dbraw/zinc/55/09/45/806550945.db2.gz SSTARWGFQMJIDL-SECBINFHSA-N 1 0 271.386 3.107 20 5 CGBDRO Cc1cc(Cl)c(N[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001162406372 806580024 /nfs/dbraw/zinc/58/00/24/806580024.db2.gz HAWSIQILQDAHFA-NXEZZACHSA-N 1 0 283.759 3.238 20 5 CGBDRO CCCC[N@H+](C)CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC001162471892 806593593 /nfs/dbraw/zinc/59/35/93/806593593.db2.gz ZQGFJZMDLPOMTA-UHFFFAOYSA-N 1 0 285.775 3.392 20 5 CGBDRO O=[N+]([O-])c1cc2c(cc1NC[C@@H]1CCC(F)(F)C1)C[NH2+]C2 ZINC001162649602 806638973 /nfs/dbraw/zinc/63/89/73/806638973.db2.gz KSWGCJAELGWTPU-SECBINFHSA-N 1 0 297.305 3.045 20 5 CGBDRO CCOc1cc([N+](=O)[O-])ccc1NC(=[NH2+])C(C)(C)C ZINC001162661339 806642806 /nfs/dbraw/zinc/64/28/06/806642806.db2.gz UVVBBMAAPNJLRX-UHFFFAOYSA-N 1 0 265.313 3.429 20 5 CGBDRO CCCC(C[NH3+])(CCC)Nc1ncc([N+](=O)[O-])c(C)c1C ZINC001163038598 806695326 /nfs/dbraw/zinc/69/53/26/806695326.db2.gz KUGKGUOXJXCYBD-UHFFFAOYSA-N 1 0 294.399 3.316 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccc([N+](=O)[O-])cc1 ZINC000037177026 798861591 /nfs/dbraw/zinc/86/15/91/798861591.db2.gz HTYNCIQTTRWKDW-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1ccsc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC000090736087 798952040 /nfs/dbraw/zinc/95/20/40/798952040.db2.gz TVROJANZUVOYCL-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO COC[C@H]([NH2+]Cc1ccc(Cl)c([N+](=O)[O-])c1)C(C)C ZINC000097604702 798973967 /nfs/dbraw/zinc/97/39/67/798973967.db2.gz CCLUXZJJIWKHPC-LBPRGKRZSA-N 1 0 286.759 3.009 20 5 CGBDRO Cc1c(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cccc1[N+](=O)[O-] ZINC000403525198 799567142 /nfs/dbraw/zinc/56/71/42/799567142.db2.gz UOEQBPITZOBOTP-AGUYFDCRSA-N 1 0 292.404 3.419 20 5 CGBDRO Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1[N+](=O)[O-] ZINC000403621436 799568950 /nfs/dbraw/zinc/56/89/50/799568950.db2.gz HEVWTEFPPQNMJL-AGUYFDCRSA-N 1 0 292.404 3.419 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001163419889 806762323 /nfs/dbraw/zinc/76/23/23/806762323.db2.gz TUVXDYKJZPXFGN-CYBMUJFWSA-N 1 0 279.384 3.436 20 5 CGBDRO Cc1ccc(C[NH2+]CCC2SCCS2)cc1[N+](=O)[O-] ZINC000693778091 799815268 /nfs/dbraw/zinc/81/52/68/799815268.db2.gz VILFWVKOMWFOBV-UHFFFAOYSA-N 1 0 298.433 3.189 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000698174656 799852479 /nfs/dbraw/zinc/85/24/79/799852479.db2.gz HHZBXFBUJGMDRC-SNVBAGLBSA-N 1 0 252.701 3.056 20 5 CGBDRO Cc1c(C[NH2+]CCC(C)(C)F)cccc1[N+](=O)[O-] ZINC000698303543 799855357 /nfs/dbraw/zinc/85/53/57/799855357.db2.gz WZCNXZHWYXEGCE-UHFFFAOYSA-N 1 0 254.305 3.131 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccc(Cl)cc2[N+](=O)[O-])C1(C)C ZINC001163571103 806784783 /nfs/dbraw/zinc/78/47/83/806784783.db2.gz FYBGXKYIOXRGAC-QWHCGFSZSA-N 1 0 297.786 3.389 20 5 CGBDRO C[C@@H]1CCC[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000701535951 799888663 /nfs/dbraw/zinc/88/86/63/799888663.db2.gz MXDDNYFYHXBHSF-MFKMUULPSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC1C[C@H]2CC[C@@H](C1)S2 ZINC000716065490 800164150 /nfs/dbraw/zinc/16/41/50/800164150.db2.gz RKTWWZCGIQSPSU-QXMXGUDHSA-N 1 0 292.404 3.359 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cs1 ZINC000717172791 800195112 /nfs/dbraw/zinc/19/51/12/800195112.db2.gz NFCJKJLBJGDGPF-GFCCVEGCSA-N 1 0 296.392 3.238 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)C(C)(C)OC)c1cccc([N+](=O)[O-])c1 ZINC000720258815 800254993 /nfs/dbraw/zinc/25/49/93/800254993.db2.gz RBZNWTZUCCVIFU-RISCZKNCSA-N 1 0 280.368 3.449 20 5 CGBDRO C[C@H](C[NH+](C)C)Nc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001163776933 806823892 /nfs/dbraw/zinc/82/38/92/806823892.db2.gz OZSLKHFSJWAKQA-LLVKDONJSA-N 1 0 279.384 3.254 20 5 CGBDRO Cc1c(NCC[C@H]2CCC[N@@H+](C)C2)cc(F)cc1[N+](=O)[O-] ZINC001165279591 806985935 /nfs/dbraw/zinc/98/59/35/806985935.db2.gz WLOMDCKYEGWVCR-GFCCVEGCSA-N 1 0 295.358 3.186 20 5 CGBDRO C[NH2+]Cc1cccc(Nc2nc(C)cc(C)c2[N+](=O)[O-])c1 ZINC001167033485 807133587 /nfs/dbraw/zinc/13/35/87/807133587.db2.gz OHJPAMREGFBTMB-UHFFFAOYSA-N 1 0 286.335 3.070 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cccc(C(F)F)c2)C1 ZINC001168960178 807541446 /nfs/dbraw/zinc/54/14/46/807541446.db2.gz DLXLTPOAFYJIAQ-WCQYABFASA-N 1 0 284.306 3.159 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC001168959679 807541613 /nfs/dbraw/zinc/54/16/13/807541613.db2.gz YDEWNRGGJLQCDJ-NOZJJQNGSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC001168959680 807542005 /nfs/dbraw/zinc/54/20/05/807542005.db2.gz YDEWNRGGJLQCDJ-RNCFNFMXSA-N 1 0 286.734 3.014 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(Cl)cc1 ZINC001168964444 807542376 /nfs/dbraw/zinc/54/23/76/807542376.db2.gz SKIYXZYEXDWLET-WDMOLILDSA-N 1 0 282.771 3.436 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccccc1 ZINC001168963180 807542393 /nfs/dbraw/zinc/54/23/93/807542393.db2.gz OLOQHJJTAUPRJZ-VHDGCEQUSA-N 1 0 262.353 3.173 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001168966522 807542637 /nfs/dbraw/zinc/54/26/37/807542637.db2.gz IYXNMQFPOPHJJR-JOYOIKCWSA-N 1 0 286.734 3.014 20 5 CGBDRO CCC1([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168972806 807543560 /nfs/dbraw/zinc/54/35/60/807543560.db2.gz BJDXVXIDXDYQCX-QWHCGFSZSA-N 1 0 254.374 3.134 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3ccccc3)CCCC2)C1 ZINC001168968425 807543675 /nfs/dbraw/zinc/54/36/75/807543675.db2.gz YYHBHHBBQADZIX-GDBMZVCRSA-N 1 0 288.391 3.491 20 5 CGBDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168968529 807544073 /nfs/dbraw/zinc/54/40/73/807544073.db2.gz ZVXUYUGTMCXFMT-HUUCEWRRSA-N 1 0 292.379 3.009 20 5 CGBDRO CCCc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168977175 807544569 /nfs/dbraw/zinc/54/45/69/807544569.db2.gz IWBLIXFUDSUUCT-CVEARBPZSA-N 1 0 276.380 3.174 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001168976312 807545019 /nfs/dbraw/zinc/54/50/19/807545019.db2.gz CPTUDKWCADMMDM-CABCVRRESA-N 1 0 268.401 3.382 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CCCc2cccc(Cl)c2)C1 ZINC001168978319 807545646 /nfs/dbraw/zinc/54/56/46/807545646.db2.gz RDAKSOKSONHFDZ-UKRRQHHQSA-N 1 0 296.798 3.308 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC001168984943 807546887 /nfs/dbraw/zinc/54/68/87/807546887.db2.gz BMLOCNYLXHQZLS-AAEUAGOBSA-N 1 0 290.388 3.436 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)c(F)c1F ZINC001168991934 807547751 /nfs/dbraw/zinc/54/77/51/807547751.db2.gz IIQJRWKJQJTBTB-TUAOUCFPSA-N 1 0 298.333 3.369 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2(c3ccc(F)cc3)CCC2)C1 ZINC001168992055 807548253 /nfs/dbraw/zinc/54/82/53/807548253.db2.gz JETUINTYSFIZRN-SWLSCSKDSA-N 1 0 292.354 3.240 20 5 CGBDRO CC(C)([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001168988596 807548321 /nfs/dbraw/zinc/54/83/21/807548321.db2.gz SSORLSJQWCDFDJ-OCCSQVGLSA-N 1 0 268.401 3.380 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(OC)cc1 ZINC001168990512 807548390 /nfs/dbraw/zinc/54/83/90/807548390.db2.gz ZUKAHINJEHXIOY-JGGQBBKZSA-N 1 0 292.379 3.181 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]CC2(Cc3ccccc3)CC2)C1 ZINC001168996100 807549372 /nfs/dbraw/zinc/54/93/72/807549372.db2.gz VBXXRPFOQMCDFF-HZPDHXFCSA-N 1 0 288.391 3.044 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CCCCC1 ZINC001169005439 807550473 /nfs/dbraw/zinc/55/04/73/807550473.db2.gz UKXMQOFILXHPKE-CFVMTHIKSA-N 1 0 268.401 3.380 20 5 CGBDRO C[N@H+](CCc1cccc(Cl)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036437 807555923 /nfs/dbraw/zinc/55/59/23/807555923.db2.gz OLKJUNZEJPYAMN-DZGCQCFKSA-N 1 0 296.798 3.260 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@H+]2CC=C(c3ccccc3)CC2)C1 ZINC001169039928 807557643 /nfs/dbraw/zinc/55/76/43/807557643.db2.gz VXJYWEMIROZTON-WMLDXEAASA-N 1 0 286.375 3.221 20 5 CGBDRO CCOc1cc([N+](=O)[O-])ccc1NC(C)(C)CC[NH+](C)C ZINC001169717128 807696392 /nfs/dbraw/zinc/69/63/92/807696392.db2.gz DXKRILDQWWZEDQ-UHFFFAOYSA-N 1 0 295.383 3.136 20 5 CGBDRO CCCC[N@H+](C)[C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170329527 807826178 /nfs/dbraw/zinc/82/61/78/807826178.db2.gz QMYFKOCSPUVXGC-LBPRGKRZSA-N 1 0 280.368 3.266 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC=CCC2)c([N+](=O)[O-])c1 ZINC001170322373 807826800 /nfs/dbraw/zinc/82/68/00/807826800.db2.gz FHIZPJHWJIITQD-TZMCWYRMSA-N 1 0 290.363 3.233 20 5 CGBDRO CC(C)(C)c1ccc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1 ZINC001171333999 808029312 /nfs/dbraw/zinc/02/93/12/808029312.db2.gz ISEIPRLJHKPUPR-CYBMUJFWSA-N 1 0 291.395 3.446 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH+]2CCCCC2)c1F ZINC001173187088 808533798 /nfs/dbraw/zinc/53/37/98/808533798.db2.gz WNYLDJCKPPJPHJ-NSHDSACASA-N 1 0 296.342 3.159 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CC1(C)CCC1 ZINC001173212495 808538396 /nfs/dbraw/zinc/53/83/96/808538396.db2.gz ACQLJJDCTICJAM-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1)c1cscn1 ZINC001173213828 808538814 /nfs/dbraw/zinc/53/88/14/808538814.db2.gz KZQGENSSTGEDAE-WDEREUQCSA-N 1 0 291.376 3.333 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CCCC2 ZINC001173221886 808540315 /nfs/dbraw/zinc/54/03/15/808540315.db2.gz QQCVQJCHGRKKEZ-WFASDCNBSA-N 1 0 274.364 3.448 20 5 CGBDRO CC[N@H+](Cc1cccnc1)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173227066 808541901 /nfs/dbraw/zinc/54/19/01/808541901.db2.gz NIAHMIBFSGJXMV-CQSZACIVSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(C)(F)CC1 ZINC001173230028 808542386 /nfs/dbraw/zinc/54/23/86/808542386.db2.gz XHBAGYBRRNVMOC-GFCCVEGCSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC[C@H](F)CC1 ZINC001173229398 808543223 /nfs/dbraw/zinc/54/32/23/808543223.db2.gz UEGFEJBNKVNYBA-OCCSQVGLSA-N 1 0 280.343 3.350 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CCC(F)(F)CC1 ZINC001173229235 808543332 /nfs/dbraw/zinc/54/33/32/808543332.db2.gz RUAIJRACOBUUBB-NSHDSACASA-N 1 0 284.306 3.257 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1C[C@@H]2CC[C@H]1C2 ZINC001173228863 808543442 /nfs/dbraw/zinc/54/34/42/808543442.db2.gz KZFPVTPYVRQSMX-ZGMNHVEMSA-N 1 0 274.364 3.304 20 5 CGBDRO CC[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173236878 808546218 /nfs/dbraw/zinc/54/62/18/808546218.db2.gz FRAGMPMYUYZCBS-QWHCGFSZSA-N 1 0 262.353 3.258 20 5 CGBDRO C[C@@H]1C[C@H]1C[NH2+]Cc1c(Br)cccc1[N+](=O)[O-] ZINC001177267049 809789743 /nfs/dbraw/zinc/78/97/43/809789743.db2.gz HKVSFRJNGLOPPA-BDAKNGLRSA-N 1 0 299.168 3.103 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1cc(C)sc1[N+](=O)[O-] ZINC001185204811 810245081 /nfs/dbraw/zinc/24/50/81/810245081.db2.gz SOYDXFYZLZSDSM-SECBINFHSA-N 1 0 271.386 3.107 20 5 CGBDRO CCC[N@H+](CC)C[C@@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001186601536 810349820 /nfs/dbraw/zinc/34/98/20/810349820.db2.gz FHLVKTXMVWWTSK-LLVKDONJSA-N 1 0 283.347 3.266 20 5 CGBDRO Cn1c[nH+]cc1Nc1cc2cccnc2c2ncccc12 ZINC001211251216 814861841 /nfs/dbraw/zinc/86/18/41/814861841.db2.gz BEAOVXTZJMUNQW-UHFFFAOYSA-N 1 0 275.315 3.260 20 5 CGBDRO O=[N+]([O-])c1cccc(-c2ccc(OC3CC[NH2+]CC3)cc2)c1 ZINC001217963889 816019369 /nfs/dbraw/zinc/01/93/69/816019369.db2.gz VVTVPQZGUVAWFH-UHFFFAOYSA-N 1 0 298.342 3.393 20 5 CGBDRO c1cnc2c(c1)ccc1c(O[C@@H]3CCCC[NH2+]C3)ccnc12 ZINC001217974401 816026539 /nfs/dbraw/zinc/02/65/39/816026539.db2.gz IMBZIBAWZOLDPP-CQSZACIVSA-N 1 0 293.370 3.304 20 5 CGBDRO C[C@@H]1C[NH2+]CCC[C@@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001217983759 816032741 /nfs/dbraw/zinc/03/27/41/816032741.db2.gz CLBXYCKGQQRPQL-KOLCDFICSA-N 1 0 284.743 3.015 20 5 CGBDRO F[C@H]1C[NH2+]C[C@@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218015875 816055250 /nfs/dbraw/zinc/05/52/50/816055250.db2.gz XLTRNSDWAWWYBS-HOCLYGCPSA-N 1 0 282.318 3.077 20 5 CGBDRO C[C@H]1CC[NH2+]CC[C@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001218026265 816061825 /nfs/dbraw/zinc/06/18/25/816061825.db2.gz HTOCLPRHXFCRJR-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H]1C[C@H](Oc2cc(Cl)c(Cl)cc2[N+](=O)[O-])C[NH2+]1 ZINC001218044399 816071425 /nfs/dbraw/zinc/07/14/25/816071425.db2.gz BZDFQSFOPPBYJO-RQJHMYQMSA-N 1 0 291.134 3.031 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2O[C@@H]1C[NH2+]CCOC1 ZINC001218044705 816071655 /nfs/dbraw/zinc/07/16/55/816071655.db2.gz MVKOAJXDTZKLFK-MRXNPFEDSA-N 1 0 293.366 3.360 20 5 CGBDRO C[C@@H]1C[C@@H](Oc2ccc(C(C)(C)C)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218048601 816074073 /nfs/dbraw/zinc/07/40/73/816074073.db2.gz DNBPYPFXKNZHES-YPMHNXCESA-N 1 0 292.379 3.412 20 5 CGBDRO F[C@@H]1C[NH2+]CC[C@H]1Oc1nc2ccccc2c2ccccc21 ZINC001218064940 816083131 /nfs/dbraw/zinc/08/31/31/816083131.db2.gz CCCUHYIXKMNQHA-NVXWUHKLSA-N 1 0 296.345 3.467 20 5 CGBDRO O=[N+]([O-])c1cccc(O[C@H]2CCC[C@]23CC[NH2+]C3)c1Cl ZINC001218089823 816091577 /nfs/dbraw/zinc/09/15/77/816091577.db2.gz BASGBILFMXUGRN-GXTWGEPZSA-N 1 0 296.754 3.159 20 5 CGBDRO c1ccc2nc3c(cccc3O[C@H]3[C@@H]4C[C@H]3C[NH2+]C4)cc2c1 ZINC001218146553 816114192 /nfs/dbraw/zinc/11/41/92/816114192.db2.gz BJBVJWYIXKPNGF-QWHZDKJVSA-N 1 0 290.366 3.375 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc21 ZINC001218183343 816118559 /nfs/dbraw/zinc/11/85/59/816118559.db2.gz AKYVZBOJWHJCIY-CLLJXQQHSA-N 1 0 298.342 3.410 20 5 CGBDRO CC(C)(C)c1ccc(O[C@@H]2CCC23C[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218239502 816136458 /nfs/dbraw/zinc/13/64/58/816136458.db2.gz GZCBAZJOKUZJRJ-CQSZACIVSA-N 1 0 290.363 3.023 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1OC1CC2(C1)CCC[NH2+]C2 ZINC001218255559 816142910 /nfs/dbraw/zinc/14/29/10/816142910.db2.gz ZGMHFKUXZARPSJ-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO CC1(C)C[NH2+]CC[C@H]1Oc1cccc([N+](=O)[O-])c1Cl ZINC001218313194 816162286 /nfs/dbraw/zinc/16/22/86/816162286.db2.gz GWLXDLQJXYRBDW-LLVKDONJSA-N 1 0 284.743 3.015 20 5 CGBDRO C[C@@H](Oc1ccc2c(c1)CC[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218343273 816172810 /nfs/dbraw/zinc/17/28/10/816172810.db2.gz DWVOMANNALNUFL-GFCCVEGCSA-N 1 0 298.342 3.381 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001218381619 816183824 /nfs/dbraw/zinc/18/38/24/816183824.db2.gz FENITFXDTQOWSB-BZNIZROVSA-N 1 0 284.315 3.001 20 5 CGBDRO CC1(C)C[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC[NH2+]1 ZINC001218471778 816230048 /nfs/dbraw/zinc/23/00/48/816230048.db2.gz MAHWFJIQLALJSE-LLVKDONJSA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+]C(C)(C)C2)cc(C)c1[N+](=O)[O-] ZINC001218476575 816234036 /nfs/dbraw/zinc/23/40/36/816234036.db2.gz IOPMGBSQMKNFPZ-GFCCVEGCSA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)(C)[NH+]1CCC(OCc2ccccc2[N+](=O)[O-])CC1 ZINC001222761631 816513763 /nfs/dbraw/zinc/51/37/63/816513763.db2.gz ZJAGAPGVNGTZSY-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OC(F)(F)c1ccc(F)c(F)c1F ZINC001222985528 816547731 /nfs/dbraw/zinc/54/77/31/816547731.db2.gz QDKPTOYYRODIIF-QMMMGPOBSA-N 1 0 298.275 3.265 20 5 CGBDRO COc1cc(CO[C@H](C)C[N+](C)(C)C)ccc1OC(C)C ZINC001223688803 816666300 /nfs/dbraw/zinc/66/63/00/816666300.db2.gz FNPKCDCAHHTLBT-CQSZACIVSA-N 1 0 296.431 3.094 20 5 CGBDRO C[C@H](OC1C[NH+](C(C)(C)C)C1)c1ccc([N+](=O)[O-])cc1 ZINC001224020413 816722106 /nfs/dbraw/zinc/72/21/06/816722106.db2.gz VRKSPJPRFBBVDR-NSHDSACASA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1c(F)cccc1Br ZINC001225622102 817117370 /nfs/dbraw/zinc/11/73/70/817117370.db2.gz FGCZPVRZCOZWQB-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225713319 817153922 /nfs/dbraw/zinc/15/39/22/817153922.db2.gz RXLMKPVXEXLLHF-LLVKDONJSA-N 1 0 284.743 3.110 20 5 CGBDRO Cc1ccc(O[C@@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001225815484 817187692 /nfs/dbraw/zinc/18/76/92/817187692.db2.gz FHFOEYZNVKUYAP-NSHDSACASA-N 1 0 287.221 3.231 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc2cc(O)ccc21 ZINC001226857480 817486121 /nfs/dbraw/zinc/48/61/21/817486121.db2.gz DAWKSBJAXAIUAN-GFCCVEGCSA-O 1 0 260.357 3.019 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[N@@H+](C(C)C)C1 ZINC001226989822 817527122 /nfs/dbraw/zinc/52/71/22/817527122.db2.gz OQQKVPNWZMLAAM-NSHDSACASA-N 1 0 298.770 3.418 20 5 CGBDRO CC[N@@H+]1CC[C@@H](Oc2c(C)ccc([N+](=O)[O-])c2Cl)C1 ZINC001226990717 817527174 /nfs/dbraw/zinc/52/71/74/817527174.db2.gz XTXRQCQRQNVNIO-SNVBAGLBSA-N 1 0 284.743 3.030 20 5 CGBDRO CC(=O)c1cccc(Cl)c1O[C@H](C)C[N+](C)(C)C ZINC001227305717 817622359 /nfs/dbraw/zinc/62/23/59/817622359.db2.gz MNSBXPUZEUYSNF-SNVBAGLBSA-N 1 0 270.780 3.016 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228255227 817851453 /nfs/dbraw/zinc/85/14/53/817851453.db2.gz FDLCWEIHJMIMNI-LBPRGKRZSA-N 1 0 284.743 3.111 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001228255807 817851591 /nfs/dbraw/zinc/85/15/91/817851591.db2.gz MBKPECWOASEUOF-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1c(Cl)ccc2cccnc21 ZINC001228792892 818010883 /nfs/dbraw/zinc/01/08/83/818010883.db2.gz GVJPKLGKVMMPAQ-NSHDSACASA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1cc(OC2CC[NH+](C(C)C)CC2)cc([N+](=O)[O-])c1 ZINC001228833994 818016516 /nfs/dbraw/zinc/01/65/16/818016516.db2.gz XNRPSJSRDOFUQH-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO CCCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(C(C)=O)c1 ZINC001234909094 818950256 /nfs/dbraw/zinc/95/02/56/818950256.db2.gz GOTGPLGKUHSJML-ZDUSSCGKSA-N 1 0 278.416 3.315 20 5 CGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089357 935268185 /nfs/dbraw/zinc/26/81/85/935268185.db2.gz LPKAKFQHZCHPJG-STQMWFEESA-N 1 0 298.383 3.450 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH+]1CC(C(C)C)C1 ZINC001474479677 937862254 /nfs/dbraw/zinc/86/22/54/937862254.db2.gz QEXDXJIDQBLBIX-UHFFFAOYSA-N 1 0 262.353 3.299 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CC1(C)C ZINC001460511941 937533161 /nfs/dbraw/zinc/53/31/61/937533161.db2.gz ATXCUGHHEIKCOA-GFCCVEGCSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@H]1C[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C(C)(C)C1 ZINC001460708808 937540729 /nfs/dbraw/zinc/54/07/29/937540729.db2.gz MSNRVJXNXPYJNX-CYBMUJFWSA-N 1 0 292.379 3.484 20 5 CGBDRO C/C=C/c1ccc(OC)c(O[C@H](C)C[N+](C)(C)C)c1 ZINC001229247783 932122278 /nfs/dbraw/zinc/12/22/78/932122278.db2.gz FALNEJSECZHPRA-SBDDDAINSA-N 1 0 264.389 3.202 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cc(O)c(Cl)cc1Cl ZINC001229405834 932145899 /nfs/dbraw/zinc/14/58/99/932145899.db2.gz BOILLCILULNOOL-MRVPVSSYSA-O 1 0 279.187 3.173 20 5 CGBDRO Cc1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)c([N+](=O)[O-])c1 ZINC001230146822 932537131 /nfs/dbraw/zinc/53/71/31/932537131.db2.gz XTCDFNXQJOZFAO-ZDUSSCGKSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1ccc2sc(O[C@H](C)C[N+](C)(C)C)nc2c1 ZINC001230348447 932562766 /nfs/dbraw/zinc/56/27/66/932562766.db2.gz JWODYEQWFYLSGV-LLVKDONJSA-N 1 0 265.402 3.078 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@@H]1CCC[N@@H+](C)CC1 ZINC001231058557 932668867 /nfs/dbraw/zinc/66/88/67/932668867.db2.gz BEUBIYSRFGCHRS-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO C[C@H](Cc1cccs1)[N@H+](C)Cc1cccnc1[N+](=O)[O-] ZINC001307518816 932965003 /nfs/dbraw/zinc/96/50/03/932965003.db2.gz ILRIZLMUCCDFIT-LLVKDONJSA-N 1 0 291.376 3.114 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC001307875179 933014044 /nfs/dbraw/zinc/01/40/44/933014044.db2.gz WSVJKUNXWAUXKL-WFASDCNBSA-N 1 0 290.363 3.368 20 5 CGBDRO CC[NH+](CC)[C@H](C)CNCc1c(C)ccc([N+](=O)[O-])c1C ZINC001308391196 933104750 /nfs/dbraw/zinc/10/47/50/933104750.db2.gz DKCUELZEEYZXHO-CYBMUJFWSA-N 1 0 293.411 3.032 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC001308448406 933112637 /nfs/dbraw/zinc/11/26/37/933112637.db2.gz FPHAMLPUYHTUJS-AWEZNQCLSA-N 1 0 294.395 3.444 20 5 CGBDRO Cc1cc(C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])cc(C)n1 ZINC001308509332 933123067 /nfs/dbraw/zinc/12/30/67/933123067.db2.gz LZZPEUYLWSPQBD-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1cc(N[C@@H]2CCCC[C@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001324027534 934449755 /nfs/dbraw/zinc/44/97/55/934449755.db2.gz VLASUGVWVHXEPC-TZMCWYRMSA-N 1 0 295.358 3.327 20 5 CGBDRO CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC001473382097 937803686 /nfs/dbraw/zinc/80/36/86/937803686.db2.gz UFUIMYZELPFMQZ-AAEUAGOBSA-N 1 0 278.352 3.272 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CC[C@H]2[C@@H](C1)C2(F)F ZINC001328697088 935160229 /nfs/dbraw/zinc/16/02/29/935160229.db2.gz QREAMPTWOOIAOM-GRYCIOLGSA-N 1 0 282.290 3.118 20 5 CGBDRO CC[N@@H+]1C[C@H](C)N(c2ccc([N+](=O)[O-])cc2Cl)C[C@H]1C ZINC001559155392 938221434 /nfs/dbraw/zinc/22/14/34/938221434.db2.gz HKLKYQFMGBLJER-MNOVXSKESA-N 1 0 297.786 3.167 20 5 CGBDRO CC[C@H]1C[N@H+](C)CCCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC001559223919 938222919 /nfs/dbraw/zinc/22/29/19/938222919.db2.gz PSVSJFIILZATHA-LBPRGKRZSA-N 1 0 297.786 3.169 20 5 CGBDRO C[NH2+]C1(CNc2cc(C)c([N+](=O)[O-])cc2F)CCCCC1 ZINC001559265990 938224031 /nfs/dbraw/zinc/22/40/31/938224031.db2.gz KYWIPJXFFHEVRH-UHFFFAOYSA-N 1 0 295.358 3.377 20 5 CGBDRO Cc1ccc(C[N@@H+](CC[N+](=O)[O-])CC(C)C)c(C)c1 ZINC001559935785 938239413 /nfs/dbraw/zinc/23/94/13/938239413.db2.gz TYQHMKGHQRICKI-UHFFFAOYSA-N 1 0 264.369 3.038 20 5 CGBDRO O=C(NC[C@H]1CC[NH2+]1)c1c2ccccc2cc2ccccc21 ZINC001580660564 962735627 /nfs/dbraw/zinc/73/56/27/962735627.db2.gz CCWLJRALQQITDH-OAHLLOKOSA-N 1 0 290.366 3.085 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1c(F)cccc1[N+](=O)[O-] ZINC000337424554 214073697 /nfs/dbraw/zinc/07/36/97/214073697.db2.gz RMHRZXCHOVUHRP-CABZTGNLSA-N 1 0 252.289 3.012 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CO)C1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000290119001 197601591 /nfs/dbraw/zinc/60/15/91/197601591.db2.gz JEDCGOQOSGUXLY-CVEARBPZSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000590599194 346853815 /nfs/dbraw/zinc/85/38/15/346853815.db2.gz BWWFHRMVXNKKFV-CQSZACIVSA-N 1 0 297.358 3.369 20 5 CGBDRO CC[C@@H](CC(F)(F)F)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000354678204 529459441 /nfs/dbraw/zinc/45/94/41/529459441.db2.gz PJHDIIFDAKNDDI-JTQLQIEISA-N 1 0 276.258 3.415 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCO[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000273172643 192065734 /nfs/dbraw/zinc/06/57/34/192065734.db2.gz CELLUOZHRQQHRB-MGPQQGTHSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H](C)C[C@H](CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000592395437 346983095 /nfs/dbraw/zinc/98/30/95/346983095.db2.gz BHEWPPSKKJDHJR-SGMGOOAPSA-N 1 0 280.368 3.043 20 5 CGBDRO CS[C@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000128127202 187353117 /nfs/dbraw/zinc/35/31/17/187353117.db2.gz BBJABLJTIUIARQ-MRVPVSSYSA-N 1 0 274.773 3.089 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@]3(CC3(F)F)C2)cccc1[N+](=O)[O-] ZINC000593116561 347041397 /nfs/dbraw/zinc/04/13/97/347041397.db2.gz MJDRTKPUVPBQBY-CYBMUJFWSA-N 1 0 282.290 3.134 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2ccc(F)cc2)cc1 ZINC000035677558 344942797 /nfs/dbraw/zinc/94/27/97/344942797.db2.gz BDQYWNLJFXJARJ-UHFFFAOYSA-N 1 0 288.322 3.109 20 5 CGBDRO Cc1cc(N[C@@H](C)C2CC[NH+](C)CC2)ccc1[N+](=O)[O-] ZINC000043570069 345001232 /nfs/dbraw/zinc/00/12/32/345001232.db2.gz YMAXRIDCBGEMPR-LBPRGKRZSA-N 1 0 277.368 3.045 20 5 CGBDRO C[N@H+](CCOc1cccc([N+](=O)[O-])c1)Cc1ccsc1 ZINC000046054356 345033536 /nfs/dbraw/zinc/03/35/36/345033536.db2.gz BZJDTYNWYUNQSU-UHFFFAOYSA-N 1 0 292.360 3.167 20 5 CGBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)C1CCCC1 ZINC000054175477 345130106 /nfs/dbraw/zinc/13/01/06/345130106.db2.gz KPCLLUNULWJMRM-UHFFFAOYSA-N 1 0 254.355 3.421 20 5 CGBDRO C[C@@H]1C[C@H](C)C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000059371955 345207628 /nfs/dbraw/zinc/20/76/28/345207628.db2.gz HZDTWYVZTFAXEF-BETUJISGSA-N 1 0 262.353 3.115 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]Cc2ccc(Cl)o2)cc1 ZINC000068989538 345369695 /nfs/dbraw/zinc/36/96/95/345369695.db2.gz SKEKRYYNXWYFIO-UHFFFAOYSA-N 1 0 296.710 3.010 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000075021391 345489538 /nfs/dbraw/zinc/48/95/38/345489538.db2.gz YNWYLLYADASUDL-ONGXEEELSA-N 1 0 254.355 3.277 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000075742247 345521764 /nfs/dbraw/zinc/52/17/64/345521764.db2.gz RJMNWEGTNOZKFU-OLZOCXBDSA-N 1 0 278.352 3.014 20 5 CGBDRO CCOc1cc(C[NH+]2CCC(CF)CC2)ccc1[N+](=O)[O-] ZINC000295116793 199354259 /nfs/dbraw/zinc/35/42/59/199354259.db2.gz JFBZELJBIXXRCS-UHFFFAOYSA-N 1 0 296.342 3.175 20 5 CGBDRO Cc1[nH+]c2c(n1CCc1ccc([N+](=O)[O-])cc1)CCCC2 ZINC000130532734 346058595 /nfs/dbraw/zinc/05/85/95/346058595.db2.gz YXLIKORHBIYGNQ-UHFFFAOYSA-N 1 0 285.347 3.221 20 5 CGBDRO Cc1cc(OCc2ccc([N+](=O)[O-])cc2F)cc(C)[nH+]1 ZINC000128209398 346039013 /nfs/dbraw/zinc/03/90/13/346039013.db2.gz CQVJDYOVWSAZKO-UHFFFAOYSA-N 1 0 276.267 3.325 20 5 CGBDRO CCSCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135232199 346086881 /nfs/dbraw/zinc/08/68/81/346086881.db2.gz SVBGHWWRDFHLBJ-UHFFFAOYSA-N 1 0 280.393 3.312 20 5 CGBDRO C[N@H+](Cc1ccccc1[N+](=O)[O-])C1Cc2ccccc2C1 ZINC000141234489 346107697 /nfs/dbraw/zinc/10/76/97/346107697.db2.gz KWKSRYZTXAZRDQ-UHFFFAOYSA-N 1 0 282.343 3.194 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2ccc3cnccc3c2)cc1 ZINC000319066597 346486694 /nfs/dbraw/zinc/48/66/94/346486694.db2.gz MQXISZHYZJACIQ-UHFFFAOYSA-N 1 0 293.326 3.433 20 5 CGBDRO Cc1ccc(C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1[N+](=O)[O-] ZINC000593655908 347100823 /nfs/dbraw/zinc/10/08/23/347100823.db2.gz FQVKBOWMDRDTJI-OAHLLOKOSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](F)C2)cc1[N+](=O)[O-] ZINC000584719119 346709644 /nfs/dbraw/zinc/70/96/44/346709644.db2.gz BAQZLMJSWYEMDS-CHWSQXEVSA-N 1 0 266.316 3.274 20 5 CGBDRO C[NH+](C)CCN(c1ccc(F)cc1[N+](=O)[O-])C1CCCC1 ZINC000585701959 346726703 /nfs/dbraw/zinc/72/67/03/346726703.db2.gz CFTRBWVXVDVSCU-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594045466 347144035 /nfs/dbraw/zinc/14/40/35/347144035.db2.gz XCGWENPJRSJFJQ-GJZGRUSLSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@H](C[C@H]1CCCO1)[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594494317 347177779 /nfs/dbraw/zinc/17/77/79/347177779.db2.gz YCXVTEKIBRRBCH-JMSVASOKSA-N 1 0 290.363 3.129 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCOC(C)C ZINC000595003508 347253793 /nfs/dbraw/zinc/25/37/93/347253793.db2.gz IBGZSKAVUYDLJA-LBPRGKRZSA-N 1 0 296.367 3.069 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCC(C)(C)F ZINC000594973292 347246417 /nfs/dbraw/zinc/24/64/17/347246417.db2.gz PNTREOTYZBLQOO-UHFFFAOYSA-N 1 0 284.331 3.221 20 5 CGBDRO CC[C@@](C)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CC1 ZINC000594978877 347247621 /nfs/dbraw/zinc/24/76/21/347247621.db2.gz CIJKETNTUAMFQC-GFCCVEGCSA-N 1 0 254.355 3.325 20 5 CGBDRO CC[C@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C1CC1 ZINC000594980538 347248060 /nfs/dbraw/zinc/24/80/60/347248060.db2.gz RKAUMJBKPRBHHZ-DYLGSBMWSA-N 1 0 260.337 3.386 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@]2(C)CC2(F)F)cc1[N+](=O)[O-] ZINC000594984596 347249372 /nfs/dbraw/zinc/24/93/72/347249372.db2.gz JSQQKJIPNSFWLT-LBPRGKRZSA-N 1 0 270.279 3.038 20 5 CGBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)O1 ZINC000594984469 347249644 /nfs/dbraw/zinc/24/96/44/347249644.db2.gz IPENWZROSUONTF-GWCFXTLKSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1CC1 ZINC000595289035 347286495 /nfs/dbraw/zinc/28/64/95/347286495.db2.gz CEVXHZXSTWHEEV-UHFFFAOYSA-N 1 0 252.289 3.107 20 5 CGBDRO COC1CC(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000595049747 347269352 /nfs/dbraw/zinc/26/93/52/347269352.db2.gz OBVUUUAVFGDRRZ-OPFPJEHXSA-N 1 0 292.379 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755011 347350764 /nfs/dbraw/zinc/35/07/64/347350764.db2.gz DYANTAUYSCFVAO-GFCCVEGCSA-N 1 0 266.316 3.166 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CCC1 ZINC000595427448 347302080 /nfs/dbraw/zinc/30/20/80/347302080.db2.gz YESGVHQNXOFDBZ-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO CCC[C@@H]1CCCC[C@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595441288 347304519 /nfs/dbraw/zinc/30/45/19/347304519.db2.gz WLJNTKIQDFPCGH-VXGBXAGGSA-N 1 0 281.356 3.340 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000595450599 347305258 /nfs/dbraw/zinc/30/52/58/347305258.db2.gz VAHSHNZDJOMXJO-GXFFZTMASA-N 1 0 264.300 3.108 20 5 CGBDRO C[N@@H+](CCc1cccc([N+](=O)[O-])c1)CCC1CCC1 ZINC000595478163 347309384 /nfs/dbraw/zinc/30/93/84/347309384.db2.gz YHFYZOFCRVZMDR-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595810363 347357383 /nfs/dbraw/zinc/35/73/83/347357383.db2.gz XBAIZXWQJFBQPM-CHWSQXEVSA-N 1 0 290.363 3.224 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC[C@H]2C2CCC2)c1[N+](=O)[O-] ZINC000595570885 347321203 /nfs/dbraw/zinc/32/12/03/347321203.db2.gz ZFWJZGXLHGEZJH-LBPRGKRZSA-N 1 0 279.340 3.046 20 5 CGBDRO CC(C)CC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000595830006 347362112 /nfs/dbraw/zinc/36/21/12/347362112.db2.gz CQZJRSZFQNEHLY-UHFFFAOYSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[NH+](CC)CCSc1cc(C)sc1[N+](=O)[O-] ZINC000596138702 347387846 /nfs/dbraw/zinc/38/78/46/347387846.db2.gz CHCGGYYDLNXZFR-UHFFFAOYSA-N 1 0 274.411 3.399 20 5 CGBDRO CCC[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])OCC ZINC000598989630 347704464 /nfs/dbraw/zinc/70/44/64/347704464.db2.gz OOTAHHAQUAGFLB-YYRKOSNBSA-N 1 0 292.379 3.403 20 5 CGBDRO CC[C@H]([NH2+]CC[C@@H]1CCCOC1)c1cccc([N+](=O)[O-])c1 ZINC000599056068 347711344 /nfs/dbraw/zinc/71/13/44/347711344.db2.gz JGVMGUPGGMPGBZ-BBRMVZONSA-N 1 0 292.379 3.452 20 5 CGBDRO O=[N+]([O-])c1ccc(NC[C@@H]2CC[N@@H+]2C2CCCCC2)s1 ZINC000599126389 347719725 /nfs/dbraw/zinc/71/97/25/347719725.db2.gz FURKQCVIWZPHLB-LBPRGKRZSA-N 1 0 295.408 3.475 20 5 CGBDRO Cc1cc(NC[C@H]2CCCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000599139355 347720483 /nfs/dbraw/zinc/72/04/83/347720483.db2.gz MZFGBTTUKQYTKU-CYBMUJFWSA-N 1 0 277.368 3.047 20 5 CGBDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000600676450 347828018 /nfs/dbraw/zinc/82/80/18/347828018.db2.gz WQUFOZWLAPLITM-VHSXEESVSA-N 1 0 285.294 3.085 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(C[C@H]3CC[NH2+]C3)cc2)cc1 ZINC000600788181 347835887 /nfs/dbraw/zinc/83/58/87/347835887.db2.gz JZXQOVOCOPLLHI-CQSZACIVSA-N 1 0 282.343 3.414 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000601299020 347890028 /nfs/dbraw/zinc/89/00/28/347890028.db2.gz MDECURIDDIJRQP-QVHKTLOISA-N 1 0 292.379 3.071 20 5 CGBDRO CCC(CC)C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602509607 347973062 /nfs/dbraw/zinc/97/30/62/347973062.db2.gz FDQAVCRVGDXECS-UHFFFAOYSA-N 1 0 277.324 3.262 20 5 CGBDRO CCC[C@H](C)[C@H]1CCC[N@@H+]1CCn1c(C)ncc1[N+](=O)[O-] ZINC000602783672 348028630 /nfs/dbraw/zinc/02/86/30/348028630.db2.gz KEASKYDCLNMIQE-GXTWGEPZSA-N 1 0 294.399 3.000 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC34CCCC4)nc2c1 ZINC000602700480 348012829 /nfs/dbraw/zinc/01/28/29/348012829.db2.gz STEJNFBYVDTBJN-UHFFFAOYSA-N 1 0 287.319 3.255 20 5 CGBDRO CCC[C@@H](C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000604012311 348106682 /nfs/dbraw/zinc/10/66/82/348106682.db2.gz WAWGESKXDJXILP-CYBMUJFWSA-N 1 0 280.368 3.484 20 5 CGBDRO CC1(C)CCC[N@H+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000609578201 348348195 /nfs/dbraw/zinc/34/81/95/348348195.db2.gz QTZKXNWCCRPXKJ-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000609350675 348342774 /nfs/dbraw/zinc/34/27/74/348342774.db2.gz IZRZNUUUWUUZAJ-GFCCVEGCSA-N 1 0 295.408 3.111 20 5 CGBDRO CC(C)[N@H+](C)CC1CCN(c2ccc([N+](=O)[O-])s2)CC1 ZINC000609560433 348346346 /nfs/dbraw/zinc/34/63/46/348346346.db2.gz VAGIUHIAVYELPZ-UHFFFAOYSA-N 1 0 297.424 3.213 20 5 CGBDRO C[C@@H](CNc1ccc([N+](=O)[O-])s1)C[NH+]1CCCCC1 ZINC000609560386 348346920 /nfs/dbraw/zinc/34/69/20/348346920.db2.gz JQQNGGDYALVAJY-NSHDSACASA-N 1 0 283.397 3.190 20 5 CGBDRO O=[N+]([O-])c1sccc1N1CCC[N@@H+](C2CCCC2)CC1 ZINC000609964901 348359357 /nfs/dbraw/zinc/35/93/57/348359357.db2.gz MIVGIGNYKGBSGU-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO C[C@H](C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000610517715 348387495 /nfs/dbraw/zinc/38/74/95/348387495.db2.gz KVIOOEPQJIBEKS-KXQLTZBTSA-N 1 0 297.358 3.396 20 5 CGBDRO CC[C@H](C[NH+]1CCCC1)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC000610716003 348398736 /nfs/dbraw/zinc/39/87/36/348398736.db2.gz ZPBSSQFWIQNDCW-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO C[NH+](C)CCCC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000611228021 348429268 /nfs/dbraw/zinc/42/92/68/348429268.db2.gz STTKQPUTICFVAK-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO C[C@@H](F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000339493656 215207001 /nfs/dbraw/zinc/20/70/01/215207001.db2.gz RZFTWOVVUMCBDH-MRVPVSSYSA-N 1 0 292.257 3.034 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000614219064 348659246 /nfs/dbraw/zinc/65/92/46/348659246.db2.gz KHIPXLCZHMQESL-GWCFXTLKSA-N 1 0 289.335 3.356 20 5 CGBDRO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000619823342 349285814 /nfs/dbraw/zinc/28/58/14/349285814.db2.gz UXIGTPCEFUNWBF-KGLIPLIRSA-N 1 0 292.404 3.456 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000271406911 191119933 /nfs/dbraw/zinc/11/99/33/191119933.db2.gz AANUAWZQTBOSMA-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC3(CCC3)C2)c(F)c1 ZINC000123347433 187086240 /nfs/dbraw/zinc/08/62/40/187086240.db2.gz LJNAGCSAHDKBRM-UHFFFAOYSA-N 1 0 264.300 3.110 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](c3ccco3)C2)cc1F ZINC000368476926 234312585 /nfs/dbraw/zinc/31/25/85/234312585.db2.gz HYZBCEPHOJJJIY-LBPRGKRZSA-N 1 0 290.294 3.316 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCCOC(C)C)cccc1[N+](=O)[O-] ZINC000154940143 188171799 /nfs/dbraw/zinc/17/17/99/188171799.db2.gz UDSWIYQBTBLRAU-ZDUSSCGKSA-N 1 0 280.368 3.369 20 5 CGBDRO CCC[C@@H]([NH2+]C[C@H](C)C[C@@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000157678794 188331564 /nfs/dbraw/zinc/33/15/64/188331564.db2.gz QBHGKRRKTHAMPV-XJKCOSOUSA-N 1 0 294.395 3.433 20 5 CGBDRO Cn1ccc(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)c1 ZINC000158455457 188377071 /nfs/dbraw/zinc/37/70/71/188377071.db2.gz WCZQQBTUEXJOCM-MRXNPFEDSA-N 1 0 299.374 3.044 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccn(C)c1 ZINC000158592532 188384779 /nfs/dbraw/zinc/38/47/79/188384779.db2.gz IEWCVHXXIDPKIF-CYBMUJFWSA-N 1 0 287.363 3.044 20 5 CGBDRO CC(C)C1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000293029837 198500028 /nfs/dbraw/zinc/50/00/28/198500028.db2.gz PREZSIZBYJVWEQ-FNORWQNLSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000412046260 235116385 /nfs/dbraw/zinc/11/63/85/235116385.db2.gz QVFCXWQIQYOQJG-SNVBAGLBSA-N 1 0 289.335 3.356 20 5 CGBDRO COC1([C@@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCC1 ZINC000414316780 235386911 /nfs/dbraw/zinc/38/69/11/235386911.db2.gz OLWBZWYDBKRUFG-VXGBXAGGSA-N 1 0 278.352 3.203 20 5 CGBDRO CCCC[N@H+](CCOC)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000093323010 138345797 /nfs/dbraw/zinc/34/57/97/138345797.db2.gz VNFVJUDFSGIXSK-UHFFFAOYSA-N 1 0 280.368 3.152 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000424332507 236150958 /nfs/dbraw/zinc/15/09/58/236150958.db2.gz WREMNCOANSYCKI-HZMBPMFUSA-N 1 0 276.336 3.197 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1C ZINC000301547820 201062981 /nfs/dbraw/zinc/06/29/81/201062981.db2.gz POCOXQLYYFZXIF-AWEZNQCLSA-N 1 0 277.368 3.190 20 5 CGBDRO CCOC[C@H]1CC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000182823253 189336470 /nfs/dbraw/zinc/33/64/70/189336470.db2.gz YQCDJVZXLPFDON-KBPBESRZSA-N 1 0 292.379 3.323 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCCC[C@H]2C)c([N+](=O)[O-])cc1F ZINC000184686176 189392495 /nfs/dbraw/zinc/39/24/95/189392495.db2.gz PHXZRSDEQBWFPR-ZWNOBZJWSA-N 1 0 296.342 3.411 20 5 CGBDRO Cc1cccc(NC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC000275453319 193045082 /nfs/dbraw/zinc/04/50/82/193045082.db2.gz LYOUOQLVMRYTQB-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO CCC[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)OC ZINC000293711707 283884066 /nfs/dbraw/zinc/88/40/66/283884066.db2.gz PTODJFXCNYZSSQ-SMDDNHRTSA-N 1 0 266.341 3.061 20 5 CGBDRO Cc1ncc(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])o1 ZINC000459679215 242180079 /nfs/dbraw/zinc/18/00/79/242180079.db2.gz SQLDDGHGSMYEOD-LLVKDONJSA-N 1 0 289.335 3.002 20 5 CGBDRO CC[NH+](CC)CCSCc1cccc([N+](=O)[O-])c1C ZINC000461513809 242306869 /nfs/dbraw/zinc/30/68/69/242306869.db2.gz GEZBBZIGBWCOJD-UHFFFAOYSA-N 1 0 282.409 3.478 20 5 CGBDRO CC[C@H]([NH2+]C[C@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000036721111 369025966 /nfs/dbraw/zinc/02/59/66/369025966.db2.gz XAOGTAARJYYFEG-CVEARBPZSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H](NCC(C)(C)C[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000037010405 369050316 /nfs/dbraw/zinc/05/03/16/369050316.db2.gz QRNOCKIKADUDCH-HNNXBMFYSA-N 1 0 293.411 3.223 20 5 CGBDRO CCC[N@H+](Cc1ccc([N+](=O)[O-])c(OCC)c1)C1CC1 ZINC000492752243 244017817 /nfs/dbraw/zinc/01/78/17/244017817.db2.gz VCLMZGNVOLAPFN-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO CCCCOCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000040506701 369159652 /nfs/dbraw/zinc/15/96/52/369159652.db2.gz NYDDLTMBMNFYEU-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1cccc([N+](=O)[O-])c1 ZINC000040775214 369164442 /nfs/dbraw/zinc/16/44/42/369164442.db2.gz WKVATSSRZPWLAN-DZGCQCFKSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CSC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000282943548 299398758 /nfs/dbraw/zinc/39/87/58/299398758.db2.gz BKUJPVJEICSGMH-JOYOIKCWSA-N 1 0 266.366 3.139 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000048261673 369338989 /nfs/dbraw/zinc/33/89/89/369338989.db2.gz UZNQDRQYJAUMAX-MRXNPFEDSA-N 1 0 285.347 3.273 20 5 CGBDRO Cc1cc(C[NH2+]Cc2ccccc2[N+](=O)[O-])ccc1F ZINC000049943392 369423733 /nfs/dbraw/zinc/42/37/33/369423733.db2.gz LGVBYZUFKMQYHO-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO COc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1[N+](=O)[O-] ZINC000051157405 369446274 /nfs/dbraw/zinc/44/62/74/369446274.db2.gz NTGHIOABTYAMAI-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO COc1ccc(C[N@H+](C)C2CCCCC2)cc1[N+](=O)[O-] ZINC000051127556 369446425 /nfs/dbraw/zinc/44/64/25/369446425.db2.gz YKFVOLKRBPOJPI-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000276173172 193233937 /nfs/dbraw/zinc/23/39/37/193233937.db2.gz CYTBQUVGECPCAJ-LBPRGKRZSA-N 1 0 280.368 3.187 20 5 CGBDRO CCC[C@@H]([NH2+]CCN(C)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000054111107 369495428 /nfs/dbraw/zinc/49/54/28/369495428.db2.gz OZBZTNPXYLTTET-MRXNPFEDSA-N 1 0 293.411 3.366 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC(F)(F)F)c(Cl)c1 ZINC000063099935 369639450 /nfs/dbraw/zinc/63/94/50/369639450.db2.gz HVWFTDNIZMFBDN-UHFFFAOYSA-N 1 0 282.649 3.290 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)c1ccsc1)c1cccc([N+](=O)[O-])c1 ZINC000219220747 376197682 /nfs/dbraw/zinc/19/76/82/376197682.db2.gz PJAURADZLNSHJX-QMTHXVAHSA-N 1 0 292.360 3.041 20 5 CGBDRO CC(C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113311440 370471187 /nfs/dbraw/zinc/47/11/87/370471187.db2.gz FODAGAILTCIHHM-UHFFFAOYSA-N 1 0 291.376 3.464 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+](CC2CC2)CC2CC2)cc1 ZINC000115563060 370535033 /nfs/dbraw/zinc/53/50/33/370535033.db2.gz WQTDMHWOWXHEHW-UHFFFAOYSA-N 1 0 260.337 3.217 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)CSC)c1cccc([N+](=O)[O-])c1 ZINC000131577973 371117751 /nfs/dbraw/zinc/11/77/51/371117751.db2.gz NTOUDQAQGMICGY-GXFFZTMASA-N 1 0 268.382 3.387 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])C1 ZINC000134604507 371352792 /nfs/dbraw/zinc/35/27/92/371352792.db2.gz MDDLPXIWNDJEKN-NSHDSACASA-N 1 0 298.383 3.451 20 5 CGBDRO C[N@H+](CCC1CC1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000135309338 371413225 /nfs/dbraw/zinc/41/32/25/371413225.db2.gz NIHKLAIYTQTVJD-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCc1cscn1 ZINC000134853214 371369068 /nfs/dbraw/zinc/36/90/68/371369068.db2.gz DYISEQPWPRWLNN-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136890482 371487369 /nfs/dbraw/zinc/48/73/69/371487369.db2.gz IGLHPLDCHKJGJJ-AWEZNQCLSA-N 1 0 294.395 3.433 20 5 CGBDRO CC(=O)c1cc(NCCc2ccncc2C)ccc1[N+](=O)[O-] ZINC000286617953 371526756 /nfs/dbraw/zinc/52/67/56/371526756.db2.gz VTEWBGRLZWYDRW-UHFFFAOYSA-N 1 0 299.330 3.155 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000344060903 217032552 /nfs/dbraw/zinc/03/25/52/217032552.db2.gz MMHROCDGCZMBHI-CYBMUJFWSA-N 1 0 290.363 3.392 20 5 CGBDRO C[C@@H]1C[C@@H](CC[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCO1 ZINC000344260683 217123953 /nfs/dbraw/zinc/12/39/53/217123953.db2.gz FUOXQEHEGIWMMN-NEPJUHHUSA-N 1 0 296.342 3.029 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](C)SC)c1cccc([N+](=O)[O-])c1 ZINC000163581196 372480696 /nfs/dbraw/zinc/48/06/96/372480696.db2.gz PNGAOMMTHVRIQD-MFKMUULPSA-N 1 0 268.382 3.387 20 5 CGBDRO Cn1cccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000344638159 217259266 /nfs/dbraw/zinc/25/92/66/217259266.db2.gz YBMILBMQNRJXSD-UHFFFAOYSA-N 1 0 287.363 3.046 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])C1(C)C ZINC000344698291 217279181 /nfs/dbraw/zinc/27/91/81/217279181.db2.gz NZGVWFNWARTNCJ-NEFCLYRVSA-N 1 0 290.363 3.011 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1(C)C ZINC000344698293 217280689 /nfs/dbraw/zinc/28/06/89/217280689.db2.gz NZGVWFNWARTNCJ-VKGGURKZSA-N 1 0 290.363 3.011 20 5 CGBDRO Cc1ncsc1CC[N@@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000172526424 372984649 /nfs/dbraw/zinc/98/46/49/372984649.db2.gz LYQJOSROROOIBK-UHFFFAOYSA-N 1 0 291.376 3.034 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccoc1 ZINC000344788698 217312269 /nfs/dbraw/zinc/31/22/69/217312269.db2.gz FHJRNFBVJFMVNY-KPKJPENVSA-N 1 0 272.304 3.381 20 5 CGBDRO COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2C)cc1[N+](=O)[O-] ZINC000172861254 373050763 /nfs/dbraw/zinc/05/07/63/373050763.db2.gz BHBJALOQHOALAZ-VXGBXAGGSA-N 1 0 278.352 3.224 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)CC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000296468169 373144579 /nfs/dbraw/zinc/14/45/79/373144579.db2.gz NPVVRSVSPAWTCS-RISCZKNCSA-N 1 0 280.368 3.185 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H](C)CC[NH+](C)C ZINC000444829526 373281087 /nfs/dbraw/zinc/28/10/87/373281087.db2.gz YGTLDRGYFZBGNR-JTQLQIEISA-N 1 0 285.775 3.309 20 5 CGBDRO Cc1ccc(NCC2CC[NH+](C3CC3)CC2)c([N+](=O)[O-])c1 ZINC000444880310 373284244 /nfs/dbraw/zinc/28/42/44/373284244.db2.gz VACUAQJVSIKVIV-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)N(C)Cc1nccs1 ZINC000175089551 373405969 /nfs/dbraw/zinc/40/59/69/373405969.db2.gz WBTKQXZMDLMWCF-SNVBAGLBSA-N 1 0 277.349 3.244 20 5 CGBDRO CN(CCOc1ccccc1)Cc1csc([N+](=O)[O-])c1 ZINC000298744913 373398163 /nfs/dbraw/zinc/39/81/63/373398163.db2.gz GSEIJCQTBDYFBW-UHFFFAOYSA-N 1 0 292.360 3.167 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(C)CC1 ZINC000345045804 217397219 /nfs/dbraw/zinc/39/72/19/217397219.db2.gz YFZVFRLAGRTQLJ-XYOKQWHBSA-N 1 0 260.337 3.388 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449149242 373665951 /nfs/dbraw/zinc/66/59/51/373665951.db2.gz MUGSMBZXDDMION-IVMMDQJWSA-N 1 0 292.379 3.073 20 5 CGBDRO CC[N@@H+]1CCCC[C@H]1CNc1ccc([N+](=O)[O-])cc1F ZINC000301279545 373727404 /nfs/dbraw/zinc/72/74/04/373727404.db2.gz SWMUJZVOMIMVII-LBPRGKRZSA-N 1 0 281.331 3.020 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)cs1 ZINC000449477238 373764789 /nfs/dbraw/zinc/76/47/89/373764789.db2.gz OSJFPBOJHKBZET-LLVKDONJSA-N 1 0 296.392 3.095 20 5 CGBDRO Cc1cccc(NCC[N@H+]2CCC[C@@H](C)C2)c1[N+](=O)[O-] ZINC000302509536 373883859 /nfs/dbraw/zinc/88/38/59/373883859.db2.gz RZZLOIMJNASDBI-GFCCVEGCSA-N 1 0 277.368 3.047 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2F)[C@@H]1C ZINC000311878727 374260374 /nfs/dbraw/zinc/26/03/74/374260374.db2.gz MSJDYOANROGDHW-GHMZBOCLSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CCOCC2)c(Cl)c1 ZINC000312235822 374273599 /nfs/dbraw/zinc/27/35/99/374273599.db2.gz ASXLEMYVTMRWOH-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCC[C@H](CO)C1)c1cccc([N+](=O)[O-])c1 ZINC000314187618 374312848 /nfs/dbraw/zinc/31/28/48/374312848.db2.gz NRXACKKYOPQXQZ-BJJXKVORSA-N 1 0 292.379 3.187 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)Cc1ccc([N+](=O)[O-])cc1C ZINC000183359274 374406657 /nfs/dbraw/zinc/40/66/57/374406657.db2.gz FPUORZLUMPSOSH-LBPRGKRZSA-N 1 0 282.409 3.477 20 5 CGBDRO CC[C@H](C)[C@H](C)[NH2+]Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000184309111 374513277 /nfs/dbraw/zinc/51/32/77/374513277.db2.gz UUSARZZXWJYGHG-UWVGGRQHSA-N 1 0 284.331 3.267 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000184140067 374497181 /nfs/dbraw/zinc/49/71/81/374497181.db2.gz CABNBKPIVAFVJH-SNVBAGLBSA-N 1 0 290.294 3.290 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000185602149 374694983 /nfs/dbraw/zinc/69/49/83/374694983.db2.gz ZEKQYTWZHUEFLO-KOLCDFICSA-N 1 0 254.355 3.277 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000186316032 374832309 /nfs/dbraw/zinc/83/23/09/374832309.db2.gz CBSNXTAXIYAGNY-HOCLYGCPSA-N 1 0 292.379 3.278 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC=CO2)cc1[N+](=O)[O-] ZINC000188578957 375236184 /nfs/dbraw/zinc/23/61/84/375236184.db2.gz FGCMVIVAPCTWGH-GXTWGEPZSA-N 1 0 276.336 3.247 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCc2ccc(F)c(F)c2)cs1 ZINC000190289287 375491392 /nfs/dbraw/zinc/49/13/92/375491392.db2.gz AAORKKQIINVIGC-UHFFFAOYSA-N 1 0 298.314 3.267 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000520428119 375854719 /nfs/dbraw/zinc/85/47/19/375854719.db2.gz LEYXXPDDVLDQPD-BREBYQMCSA-N 1 0 264.300 3.062 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCCOCC1 ZINC000537357319 376165946 /nfs/dbraw/zinc/16/59/46/376165946.db2.gz MPAHKRKKSDSONU-CHWSQXEVSA-N 1 0 278.352 3.123 20 5 CGBDRO CC[C@H]([NH2+]CC(C)(C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000221577436 376217630 /nfs/dbraw/zinc/21/76/30/376217630.db2.gz SQWKTJBZOGRJHV-HNNXBMFYSA-N 1 0 294.395 3.434 20 5 CGBDRO CCC[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000538391913 376236700 /nfs/dbraw/zinc/23/67/00/376236700.db2.gz BDUPQGGVHKDGIU-AWEZNQCLSA-N 1 0 294.399 3.130 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000222766738 376241472 /nfs/dbraw/zinc/24/14/72/376241472.db2.gz WGGWELYQIHRZKV-OBJOEFQTSA-N 1 0 278.352 3.121 20 5 CGBDRO COc1ccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000539259971 376301737 /nfs/dbraw/zinc/30/17/37/376301737.db2.gz MAYNIDFKHYNDIL-UHFFFAOYSA-N 1 0 298.342 3.382 20 5 CGBDRO CC1(C)SC[C@@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000338477767 376387800 /nfs/dbraw/zinc/38/78/00/376387800.db2.gz QDOVJPUVQOZFEB-IYNGYCSASA-N 1 0 278.377 3.092 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCCCO2)c1 ZINC000227339118 376391279 /nfs/dbraw/zinc/39/12/79/376391279.db2.gz JARDHQUGVCXFQP-ZDUSSCGKSA-N 1 0 298.770 3.297 20 5 CGBDRO CCC[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230409394 376515550 /nfs/dbraw/zinc/51/55/50/376515550.db2.gz YJMLBAPMETVGQX-BBRMVZONSA-N 1 0 292.379 3.452 20 5 CGBDRO COCCCCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000231665557 376564462 /nfs/dbraw/zinc/56/44/62/376564462.db2.gz SJEVCSHIAQHZEC-GFCCVEGCSA-N 1 0 266.341 3.062 20 5 CGBDRO C[C@@H](C[NH2+]Cc1csc([N+](=O)[O-])c1)c1nccs1 ZINC000230693147 376534994 /nfs/dbraw/zinc/53/49/94/376534994.db2.gz GJNQXCYBOMJEIW-QMMMGPOBSA-N 1 0 283.378 3.006 20 5 CGBDRO CCS[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000233849046 376605442 /nfs/dbraw/zinc/60/54/42/376605442.db2.gz HWEMJRBPYFEDTR-TZMCWYRMSA-N 1 0 280.393 3.359 20 5 CGBDRO C[C@H](CNc1ccc([N+](=O)[O-])cc1F)[N@@H+]1CCCC[C@H]1C ZINC000339004949 376622737 /nfs/dbraw/zinc/62/27/37/376622737.db2.gz VUPQXISTWPCUIU-VXGBXAGGSA-N 1 0 295.358 3.409 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C3CC3)C2)c(Cl)c1 ZINC000543908822 376686603 /nfs/dbraw/zinc/68/66/03/376686603.db2.gz VFXBBHASYCHHMN-NSHDSACASA-N 1 0 280.755 3.480 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000545018669 376778861 /nfs/dbraw/zinc/77/88/61/376778861.db2.gz XBVMMDINUAPPOL-SWLSCSKDSA-N 1 0 294.395 3.351 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CCC[C@@H]1CF ZINC000556950070 376910700 /nfs/dbraw/zinc/91/07/00/376910700.db2.gz LRKKNGDXIBMVNN-LDCOFTPGSA-N 1 0 278.327 3.432 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000558953193 377054433 /nfs/dbraw/zinc/05/44/33/377054433.db2.gz SKCRBSWSSGNXAW-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CC[C@H](C)F)cc1[N+](=O)[O-] ZINC000340472162 377083272 /nfs/dbraw/zinc/08/32/72/377083272.db2.gz ZVPARQKHWIICNT-QWRGUYRKSA-N 1 0 254.305 3.302 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)[C@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000247954100 377247027 /nfs/dbraw/zinc/24/70/27/377247027.db2.gz FICREUBOHINWNG-UHOFOFEASA-N 1 0 294.395 3.433 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1C[C@H]1OCC)c1cccc([N+](=O)[O-])c1 ZINC000562603572 377337350 /nfs/dbraw/zinc/33/73/50/377337350.db2.gz RPSYFWPPNXCQMS-SOUVJXGZSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250789380 377565919 /nfs/dbraw/zinc/56/59/19/377565919.db2.gz PLBWQIMOZGRPQR-MNOVXSKESA-N 1 0 295.770 3.287 20 5 CGBDRO COCC1(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000578236822 378050611 /nfs/dbraw/zinc/05/06/11/378050611.db2.gz NRIKXTVABMBUAI-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000266782118 378025956 /nfs/dbraw/zinc/02/59/56/378025956.db2.gz NIHWEZZDTUNPLG-CORIIIEPSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H](C)[NH2+]CCc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000579767668 378191522 /nfs/dbraw/zinc/19/15/22/378191522.db2.gz IVZKHONCGGPLDD-SNVBAGLBSA-N 1 0 261.325 3.007 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1nccs1 ZINC000269900835 378279107 /nfs/dbraw/zinc/27/91/07/378279107.db2.gz XHANLGJTTSVMEI-LLVKDONJSA-N 1 0 291.376 3.287 20 5 CGBDRO C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000348235123 378855453 /nfs/dbraw/zinc/85/54/53/378855453.db2.gz BPQNRIWRUDSKNU-CABZTGNLSA-N 1 0 288.269 3.368 20 5 CGBDRO C[C@H]([NH2+]CCCC1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000274646918 378869449 /nfs/dbraw/zinc/86/94/49/378869449.db2.gz KRXKKAFZKJABCC-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1cccc(CN(C)[C@@H](C)c2ccccc2[N+](=O)[O-])n1 ZINC000348555927 378993764 /nfs/dbraw/zinc/99/37/64/378993764.db2.gz XLOWKAZPWQZMOK-ZDUSSCGKSA-N 1 0 285.347 3.491 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CCCc3occc32)c1 ZINC000278791605 194157314 /nfs/dbraw/zinc/15/73/14/194157314.db2.gz QKZYMMNCXWAPEO-HNNXBMFYSA-N 1 0 286.331 3.398 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])Cc1ccc(O)cc1 ZINC000349407485 379269327 /nfs/dbraw/zinc/26/93/27/379269327.db2.gz NUQNKBUKXZKISW-XQRVVYSFSA-N 1 0 298.342 3.446 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000373683072 379317730 /nfs/dbraw/zinc/31/77/30/379317730.db2.gz ORPLTMPPOSXSAN-UHFFFAOYSA-N 1 0 293.342 3.163 20 5 CGBDRO COC1CCC(C[NH2+]Cc2ccc([N+](=O)[O-])cc2C)CC1 ZINC000350092006 379504443 /nfs/dbraw/zinc/50/44/43/379504443.db2.gz FEXIBCKBLFUBOA-UHFFFAOYSA-N 1 0 292.379 3.198 20 5 CGBDRO COc1cc(C[NH+]2CCC(C)(C)CC2)ccc1[N+](=O)[O-] ZINC000352404164 379799674 /nfs/dbraw/zinc/79/96/74/379799674.db2.gz DFESQPMPIPGUNA-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO CO[C@@H]([C@@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000388233830 379882723 /nfs/dbraw/zinc/88/27/23/379882723.db2.gz NONQNNGGHDOMEV-RWSFTLGLSA-N 1 0 278.352 3.059 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000283407701 380060046 /nfs/dbraw/zinc/06/00/46/380060046.db2.gz FUGBKYSBMPQGKW-LBPRGKRZSA-N 1 0 293.367 3.044 20 5 CGBDRO C[C@@H]1C[C@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])[C@H](C)O1 ZINC000414515282 380290542 /nfs/dbraw/zinc/29/05/42/380290542.db2.gz NBUUYALUEVOSAN-BOACSIHPSA-N 1 0 290.363 3.011 20 5 CGBDRO CC(C)C[C@H]([NH3+])CN(Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000414688176 380374256 /nfs/dbraw/zinc/37/42/56/380374256.db2.gz IVRNDIATNGHVPK-HNNXBMFYSA-N 1 0 293.411 3.179 20 5 CGBDRO CC(C)C[C@@H](C[NH3+])NCc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000414839009 380446127 /nfs/dbraw/zinc/44/61/27/380446127.db2.gz LGGHEAGQXWOAMH-AWEZNQCLSA-N 1 0 293.411 3.181 20 5 CGBDRO CC[N@H+](CCC1CC1)Cc1ccc([N+](=O)[O-])cc1F ZINC000355038598 380570381 /nfs/dbraw/zinc/57/03/81/380570381.db2.gz RFJUNTXZGPXZJS-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CCSCC[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000355738806 380763960 /nfs/dbraw/zinc/76/39/60/380763960.db2.gz CKMUDSMHNOCTHG-UHFFFAOYSA-N 1 0 282.409 3.260 20 5 CGBDRO CO[C@@H](CC(C)C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000419189076 380776601 /nfs/dbraw/zinc/77/66/01/380776601.db2.gz HGAAHRBOGHBWHC-AWEZNQCLSA-N 1 0 280.368 3.088 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000357027803 380996717 /nfs/dbraw/zinc/99/67/17/380996717.db2.gz SWLZFVLKLJMYER-SECBINFHSA-N 1 0 254.355 3.277 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000357558007 381210303 /nfs/dbraw/zinc/21/03/03/381210303.db2.gz ZLBLECOKUKCUJW-QWRGUYRKSA-N 1 0 266.316 3.497 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000360479024 381556325 /nfs/dbraw/zinc/55/63/25/381556325.db2.gz UQBULOKSTCADEO-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO CSC[C@@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000284868689 295611638 /nfs/dbraw/zinc/61/16/38/295611638.db2.gz PQGNSNNWOZQNST-BXUZGUMPSA-N 1 0 294.420 3.257 20 5 CGBDRO COCC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CC[C@@H](C)C1 ZINC000361643049 381854234 /nfs/dbraw/zinc/85/42/34/381854234.db2.gz LKIZXUPZADZUAE-DGCLKSJQSA-N 1 0 298.408 3.293 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCCc3occc32)cc1 ZINC000122221681 285111319 /nfs/dbraw/zinc/11/13/19/285111319.db2.gz OCMSPMNBDMXCKB-HNNXBMFYSA-N 1 0 286.331 3.398 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccc3c2CCCN3)cc1 ZINC000415032308 285115195 /nfs/dbraw/zinc/11/51/95/285115195.db2.gz IUABMJPDUQNIHC-UHFFFAOYSA-N 1 0 297.358 3.243 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H](C)c1cncc(F)c1 ZINC000350358530 219009666 /nfs/dbraw/zinc/00/96/66/219009666.db2.gz QRRKDBVCSYMAGE-NSHDSACASA-N 1 0 289.310 3.288 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](F)C1)CCC2 ZINC000332006121 285145795 /nfs/dbraw/zinc/14/57/95/285145795.db2.gz FAQZGFTWZZYZIA-SLEUVZQESA-N 1 0 278.327 3.452 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C1CCC1 ZINC000271432271 285161484 /nfs/dbraw/zinc/16/14/84/285161484.db2.gz DZXUATGYDMJZHU-SWLSCSKDSA-N 1 0 274.364 3.448 20 5 CGBDRO CCC(=O)CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000190198584 130073662 /nfs/dbraw/zinc/07/36/62/130073662.db2.gz RULNLRYFYOLYQM-UHFFFAOYSA-N 1 0 278.352 3.174 20 5 CGBDRO COc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)cc1F ZINC000047887958 391991364 /nfs/dbraw/zinc/99/13/64/391991364.db2.gz NCBJDOHTTGRFCL-UHFFFAOYSA-N 1 0 290.294 3.032 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000223502464 130795352 /nfs/dbraw/zinc/79/53/52/130795352.db2.gz ZGKXLQVJOSEPBH-IUODEOHRSA-N 1 0 280.368 3.105 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(O)CCCCC2)cc1[N+](=O)[O-] ZINC000087017505 392225166 /nfs/dbraw/zinc/22/51/66/392225166.db2.gz IBKBNZXNFKWKDX-CYBMUJFWSA-N 1 0 292.379 3.249 20 5 CGBDRO CCCO[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000108394885 392342385 /nfs/dbraw/zinc/34/23/85/392342385.db2.gz LDSFXWCXDNOZLT-INIZCTEOSA-N 1 0 292.379 3.376 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000361944760 392371790 /nfs/dbraw/zinc/37/17/90/392371790.db2.gz IXTOCMMRTCZFEM-JIMOISOXSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@H]1CCC[N@H+](CCNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000301759662 392598019 /nfs/dbraw/zinc/59/80/19/392598019.db2.gz AUZOFLOTZUBYCL-JTQLQIEISA-N 1 0 299.321 3.017 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1CCCCCC1 ZINC000505462961 392667672 /nfs/dbraw/zinc/66/76/72/392667672.db2.gz VWVHMFZKNYDOOT-CLFYSBASSA-N 1 0 260.337 3.484 20 5 CGBDRO Cc1cc(N2CCC[C@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181515833 392732284 /nfs/dbraw/zinc/73/22/84/392732284.db2.gz UHGQGFANHHWAIS-LLVKDONJSA-N 1 0 271.320 3.440 20 5 CGBDRO Cc1n[nH]cc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000180246941 392707419 /nfs/dbraw/zinc/70/74/19/392707419.db2.gz KIXXWOKDQBOKNQ-NXEZZACHSA-N 1 0 274.324 3.038 20 5 CGBDRO COCC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)C(C)(C)C ZINC000509949152 392778251 /nfs/dbraw/zinc/77/82/51/392778251.db2.gz OWUHDNFMOICJES-OAHLLOKOSA-N 1 0 294.395 3.444 20 5 CGBDRO O=[N+]([O-])c1cccc(CC[NH2+][C@H]2CC[C@H]2C2CCC2)c1 ZINC000510661040 392808599 /nfs/dbraw/zinc/80/85/99/392808599.db2.gz FOPSATUWDIAQOY-HOTGVXAUSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@@H](F)CC[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000375712842 392809746 /nfs/dbraw/zinc/80/97/46/392809746.db2.gz ZGZKLLDVRNBSNA-GFCCVEGCSA-N 1 0 296.342 3.186 20 5 CGBDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000337468918 392886475 /nfs/dbraw/zinc/88/64/75/392886475.db2.gz MUHBOZVACIITJI-HIFRSBDPSA-N 1 0 292.379 3.198 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466920141 393070352 /nfs/dbraw/zinc/07/03/52/393070352.db2.gz BXGFAGPMVPYGGN-BETUJISGSA-N 1 0 278.352 3.237 20 5 CGBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000475154597 393378092 /nfs/dbraw/zinc/37/80/92/393378092.db2.gz DDVWHZUCPNUNCR-FRRDWIJNSA-N 1 0 262.353 3.461 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000481399889 393437795 /nfs/dbraw/zinc/43/77/95/393437795.db2.gz GAUQLIHJMKMOFB-DOMZBBRYSA-N 1 0 262.353 3.258 20 5 CGBDRO Cc1cc(N[C@H](C)CC[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420226511 393439798 /nfs/dbraw/zinc/43/97/98/393439798.db2.gz LZEBURXGLZXKML-MRVPVSSYSA-N 1 0 291.273 3.071 20 5 CGBDRO Cc1cc(N[C@H](C)[C@H](C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000420269627 393445475 /nfs/dbraw/zinc/44/54/75/393445475.db2.gz UFSGPUQXMYVQAL-JGVFFNPUSA-N 1 0 291.273 3.070 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000430213340 393540352 /nfs/dbraw/zinc/54/03/52/393540352.db2.gz BKEGAMRHZZTVHT-NWDGAFQWSA-N 1 0 278.352 3.224 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1CN(C)Cc1ccccc1 ZINC000430201557 393538579 /nfs/dbraw/zinc/53/85/79/393538579.db2.gz KPAZHJJCWYSYKD-UHFFFAOYSA-N 1 0 286.331 3.235 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CC[C@H](C)C1 ZINC000430241460 393548338 /nfs/dbraw/zinc/54/83/38/393548338.db2.gz VYPOTFPNKWEGOS-WCQYABFASA-N 1 0 278.352 3.224 20 5 CGBDRO CCOc1cc(C[N@H+]2CC(C)=C[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000430284098 393558893 /nfs/dbraw/zinc/55/88/93/393558893.db2.gz KPJXJNOHHUFYLT-GFCCVEGCSA-N 1 0 290.363 3.392 20 5 CGBDRO CCOc1cc(C[N@H+](C)[C@H]2CC2(C)C)ccc1[N+](=O)[O-] ZINC000489453242 393598626 /nfs/dbraw/zinc/59/86/26/393598626.db2.gz WZSWZHRTOCILNA-AWEZNQCLSA-N 1 0 278.352 3.224 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[NH2+][C@H]2CC3CCC2CC3)c1 ZINC000433067881 393681604 /nfs/dbraw/zinc/68/16/04/393681604.db2.gz PFEBHOXUHCRBMU-ZUEPYMLJSA-N 1 0 290.363 3.142 20 5 CGBDRO COc1cc(C[NH+]2C[C@H]3CCCC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000490036820 393627729 /nfs/dbraw/zinc/62/77/29/393627729.db2.gz GQHWOJNKTSNMSM-ZIAGYGMSSA-N 1 0 290.363 3.225 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)[C@H]1CCOC1 ZINC000453249480 394220235 /nfs/dbraw/zinc/22/02/35/394220235.db2.gz UIUVQRAYMSNEHC-WHOFXGATSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H](NCC[N@@H+]1CCCC1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000453412145 394238476 /nfs/dbraw/zinc/23/84/76/394238476.db2.gz XUCQJERSBXGSTI-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO CO[C@@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])C12CCC2 ZINC000453169496 394194885 /nfs/dbraw/zinc/19/48/85/394194885.db2.gz UGAXMBZKKAFGQN-NILFDRSVSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@@H]([N@H+](C)Cc1cc([O-])ccc1[N+](=O)[O-])C(C)(C)C ZINC000549770431 289052918 /nfs/dbraw/zinc/05/29/18/289052918.db2.gz DPYQUWUAFURYTH-SNVBAGLBSA-N 1 0 266.341 3.167 20 5 CGBDRO COC1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000272268950 292170367 /nfs/dbraw/zinc/17/03/67/292170367.db2.gz CUFFZTSVERIULK-LBPRGKRZSA-N 1 0 278.352 3.075 20 5 CGBDRO CSC[C@H](C)[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000284868708 286681294 /nfs/dbraw/zinc/68/12/94/286681294.db2.gz PQGNSNNWOZQNST-SMDDNHRTSA-N 1 0 294.420 3.257 20 5 CGBDRO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296596356 286798010 /nfs/dbraw/zinc/79/80/10/286798010.db2.gz VHNFCAHTMYPGNJ-XHDPSFHLSA-N 1 0 292.379 3.111 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)CCOC)c1cccc([N+](=O)[O-])c1 ZINC000081707772 165165109 /nfs/dbraw/zinc/16/51/09/165165109.db2.gz DWVPXEVYANDDOW-FZMZJTMJSA-N 1 0 266.341 3.061 20 5 CGBDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1cccc([N+](=O)[O-])c1 ZINC000090772766 165244437 /nfs/dbraw/zinc/24/44/37/165244437.db2.gz IBWATXDFAUKUBC-NSHDSACASA-N 1 0 260.337 3.436 20 5 CGBDRO C[N@H+](Cc1ccc(Br)c([N+](=O)[O-])c1)C1CCC1 ZINC000093475743 165328927 /nfs/dbraw/zinc/32/89/27/165328927.db2.gz CYTREOZZTGLKJE-UHFFFAOYSA-N 1 0 299.168 3.342 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000093840031 165340831 /nfs/dbraw/zinc/34/08/31/165340831.db2.gz PZEWPJCQLBAUMR-AWEZNQCLSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[NH+](CC)CCSCc1ccccc1[N+](=O)[O-] ZINC000174025310 165568691 /nfs/dbraw/zinc/56/86/91/165568691.db2.gz MZANVZALHMNEBS-UHFFFAOYSA-N 1 0 268.382 3.170 20 5 CGBDRO CC[C@H](C)[N@H+](C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000116276536 287156712 /nfs/dbraw/zinc/15/67/12/287156712.db2.gz IYIQHRJMYFOSPN-VIFPVBQESA-N 1 0 256.733 3.479 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000119325980 287168204 /nfs/dbraw/zinc/16/82/04/287168204.db2.gz SKJHWZHMWVIUHW-QWRGUYRKSA-N 1 0 280.755 3.480 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1Cc2ccccc2O1)c1ccc([N+](=O)[O-])cc1 ZINC000121409612 287197956 /nfs/dbraw/zinc/19/79/56/287197956.db2.gz NYLQROSSNDCGSO-LRDDRELGSA-N 1 0 298.342 3.249 20 5 CGBDRO C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCc1ccccn1 ZINC000006393947 170197570 /nfs/dbraw/zinc/19/75/70/170197570.db2.gz DFVQFBRINHBGHT-VURMDHGXSA-N 1 0 297.358 3.178 20 5 CGBDRO C[C@H]([NH2+]CCCOCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000020191315 171057771 /nfs/dbraw/zinc/05/77/71/171057771.db2.gz KEMDVRNGCUGUGS-LBPRGKRZSA-N 1 0 278.352 3.062 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCCOC(C)C)cc1[N+](=O)[O-] ZINC000020198370 171062341 /nfs/dbraw/zinc/06/23/41/171062341.db2.gz OYSIJSZLEPJCAT-ZDUSSCGKSA-N 1 0 280.368 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]Cc2cccc(F)c2)c1 ZINC000020473319 171217306 /nfs/dbraw/zinc/21/73/06/171217306.db2.gz RLACHPVOAYFXID-UHFFFAOYSA-N 1 0 260.268 3.024 20 5 CGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc([N+](=O)[O-])cc1Cl ZINC000020563097 171252576 /nfs/dbraw/zinc/25/25/76/171252576.db2.gz UYADDRRSOIIMNL-LLVKDONJSA-N 1 0 283.759 3.144 20 5 CGBDRO C[C@H]1CCC[C@@H]([NH2+]CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000035677747 172348496 /nfs/dbraw/zinc/34/84/96/172348496.db2.gz ZPPZKNRVRPQITJ-GXTWGEPZSA-N 1 0 262.353 3.306 20 5 CGBDRO Cc1c(C[NH2+][C@H](C)c2ccncc2)cccc1[N+](=O)[O-] ZINC000035693265 172362212 /nfs/dbraw/zinc/36/22/12/172362212.db2.gz INNXWBMPCWRQSJ-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO CSCC[C@H](C)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000126611830 287268966 /nfs/dbraw/zinc/26/89/66/287268966.db2.gz DAAKPCTXFCQATN-LBPRGKRZSA-N 1 0 298.408 3.047 20 5 CGBDRO C[N@H+](CCCCCF)CCc1ccccc1[N+](=O)[O-] ZINC000285453847 196289834 /nfs/dbraw/zinc/28/98/34/196289834.db2.gz YTWHFVXONOPSDC-UHFFFAOYSA-N 1 0 268.332 3.209 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)cnn1C ZINC000037167410 173001433 /nfs/dbraw/zinc/00/14/33/173001433.db2.gz QJRPOQDNBXYPFY-MNOVXSKESA-N 1 0 288.351 3.049 20 5 CGBDRO Cc1ccccc1C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000037487164 173230029 /nfs/dbraw/zinc/23/00/29/173230029.db2.gz AEKDRVUAAFKEFZ-UHFFFAOYSA-N 1 0 256.305 3.193 20 5 CGBDRO CC[NH2+]CCCNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000038043446 174049412 /nfs/dbraw/zinc/04/94/12/174049412.db2.gz KCJWYIXHZVAEJU-UHFFFAOYSA-N 1 0 291.273 3.025 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675942 174373552 /nfs/dbraw/zinc/37/35/52/174373552.db2.gz OSDVOFOHPSYOFC-NWDGAFQWSA-N 1 0 250.342 3.162 20 5 CGBDRO CC[NH+](CC)CCCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000041058411 174466074 /nfs/dbraw/zinc/46/60/74/174466074.db2.gz HPDKWSVTWMVRSM-UHFFFAOYSA-N 1 0 285.775 3.392 20 5 CGBDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)cn1 ZINC000044499308 175184439 /nfs/dbraw/zinc/18/44/39/175184439.db2.gz WMFMNBACPWFIQW-RYUDHWBXSA-N 1 0 288.351 3.223 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]CC2CCC2)cc1[N+](=O)[O-] ZINC000179409316 260047472 /nfs/dbraw/zinc/04/74/72/260047472.db2.gz KMPODUMHHCVQDP-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO CC(C)CCOCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000045094039 270038189 /nfs/dbraw/zinc/03/81/89/270038189.db2.gz JQWNBIWMKAJRAH-CYBMUJFWSA-N 1 0 280.368 3.308 20 5 CGBDRO Cc1ccc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)cc1F ZINC000106410202 270048794 /nfs/dbraw/zinc/04/87/94/270048794.db2.gz UCTZCNPFLFPLCU-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@@H](C1CC1)C1CCC1 ZINC000325049010 270094741 /nfs/dbraw/zinc/09/47/41/270094741.db2.gz SEWPGGAWYXBDEQ-MRXNPFEDSA-N 1 0 274.364 3.306 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)Cc1ccccc1F ZINC000522268810 270105483 /nfs/dbraw/zinc/10/54/83/270105483.db2.gz QPURNWHWGGUVNP-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO CC[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000522712353 270106753 /nfs/dbraw/zinc/10/67/53/270106753.db2.gz LZQSLOGMEUUYAP-CQSZACIVSA-N 1 0 292.379 3.486 20 5 CGBDRO C[N@H+](CCc1ccc([N+](=O)[O-])cc1)CC(C)(C)C ZINC000524424096 270112625 /nfs/dbraw/zinc/11/26/25/270112625.db2.gz HVCVLJHVCNDOID-UHFFFAOYSA-N 1 0 250.342 3.115 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000532531339 270217178 /nfs/dbraw/zinc/21/71/78/270217178.db2.gz LZXQBKYEOKTWBT-IACUBPJLSA-N 1 0 294.395 3.351 20 5 CGBDRO CCC[NH+]1CCC(N[C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000020526252 273611491 /nfs/dbraw/zinc/61/14/91/273611491.db2.gz BYOQVWOFVCRFJB-ZDUSSCGKSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H](O)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417311955 273753423 /nfs/dbraw/zinc/75/34/23/273753423.db2.gz MSPOBBRKOMPUJK-HOCLYGCPSA-N 1 0 292.379 3.113 20 5 CGBDRO CO[C@]1(C)C[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1(C)C ZINC000353948513 274087067 /nfs/dbraw/zinc/08/70/67/274087067.db2.gz VIMBGULZBSLPHG-GDBMZVCRSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CSCCS1)c1ccc([N+](=O)[O-])cc1 ZINC000132600728 274251316 /nfs/dbraw/zinc/25/13/16/274251316.db2.gz MIAXVHPUJXNEOY-MFKMUULPSA-N 1 0 298.433 3.094 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@H]1Cc3ccccc31)CC2 ZINC000347039174 275037682 /nfs/dbraw/zinc/03/76/82/275037682.db2.gz VYDGUMFCZSYGCB-MRXNPFEDSA-N 1 0 294.354 3.293 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]Cc1ccco1)CCC2 ZINC000192593313 275037910 /nfs/dbraw/zinc/03/79/10/275037910.db2.gz MCSGRGFATWIFHR-HNNXBMFYSA-N 1 0 272.304 3.355 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000192615049 278371824 /nfs/dbraw/zinc/37/18/24/278371824.db2.gz SSVLCDVNVFGUDA-MEBBXXQBSA-N 1 0 260.337 3.360 20 5 CGBDRO COc1ccc(C[NH2+]C2CC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000459382639 288086320 /nfs/dbraw/zinc/08/63/20/288086320.db2.gz FZKCCSMHLWXGJU-UHFFFAOYSA-N 1 0 276.336 3.026 20 5 CGBDRO COCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]1C ZINC000487961168 288116007 /nfs/dbraw/zinc/11/60/07/288116007.db2.gz GOSCLJXUIPDJDU-UKRRQHHQSA-N 1 0 292.379 3.232 20 5 CGBDRO CO[C@]1(C)C[C@@H]([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1(C)C ZINC000531728113 288343814 /nfs/dbraw/zinc/34/38/14/288343814.db2.gz AEOYCUZBDVJEOC-DJSGYFEHSA-N 1 0 292.379 3.449 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@H+](CC(C)C)C(C)C ZINC000532477914 288364012 /nfs/dbraw/zinc/36/40/12/288364012.db2.gz RXTGPPXPRDFSIU-UHFFFAOYSA-N 1 0 280.368 3.470 20 5 CGBDRO C[C@@H]([NH2+]CCCCc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000539089273 288604182 /nfs/dbraw/zinc/60/41/82/288604182.db2.gz QKFUWPPRFCKNKC-GFCCVEGCSA-N 1 0 262.353 3.306 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cc([O-])ccc2[N+](=O)[O-])[C@@H]2CCCC[C@@H]21 ZINC000549545513 289046151 /nfs/dbraw/zinc/04/61/51/289046151.db2.gz XPQJZUJATOWHGT-DJSGYFEHSA-N 1 0 290.363 3.311 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@@H](C)F ZINC000550274018 289072008 /nfs/dbraw/zinc/07/20/08/289072008.db2.gz ZLAKXFIFVXQQCB-NXIHDVOMSA-N 1 0 266.316 3.336 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1C[C@@H]1C(F)F ZINC000554095422 289258473 /nfs/dbraw/zinc/25/84/73/289258473.db2.gz FKTIQJFINKPAMI-UWJYBYFXSA-N 1 0 270.279 3.207 20 5 CGBDRO CO[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000266782127 293622734 /nfs/dbraw/zinc/62/27/34/293622734.db2.gz NIHWEZZDTUNPLG-OSAQELSMSA-N 1 0 278.352 3.203 20 5 CGBDRO CCC1(C[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000563418074 321996326 /nfs/dbraw/zinc/99/63/26/321996326.db2.gz OHFHROSZKBPUHW-CYBMUJFWSA-N 1 0 260.337 3.362 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000567795327 322178298 /nfs/dbraw/zinc/17/82/98/322178298.db2.gz NLWUZTKKYWLGKD-IOASZLSFSA-N 1 0 290.363 3.075 20 5 CGBDRO Cc1cc(C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])ccn1 ZINC000574702725 322452787 /nfs/dbraw/zinc/45/27/87/322452787.db2.gz DYVVOVAHKYJUEA-HNNXBMFYSA-N 1 0 283.331 3.075 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)N[C@H](C)C[N@@H+](C)C(C)C ZINC000580680002 335321257 /nfs/dbraw/zinc/32/12/57/335321257.db2.gz APOIXXXFWMOXQV-ZIAGYGMSSA-N 1 0 293.411 3.283 20 5 CGBDRO C[C@@H](c1ccccn1)N(C)Cc1cccc([N+](=O)[O-])c1 ZINC000177024790 335354942 /nfs/dbraw/zinc/35/49/42/335354942.db2.gz ILRGAHUGNQVDHM-LBPRGKRZSA-N 1 0 271.320 3.183 20 5 CGBDRO CCC1([NH2+]CCOc2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000382561187 336093904 /nfs/dbraw/zinc/09/39/04/336093904.db2.gz LSRRSXMSXZWYLZ-UHFFFAOYSA-N 1 0 278.352 3.286 20 5 CGBDRO Cc1c(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)cccc1[N+](=O)[O-] ZINC000426461829 533847557 /nfs/dbraw/zinc/84/75/57/533847557.db2.gz POGZUNDDBWBXIW-WFASDCNBSA-N 1 0 260.337 3.278 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H](O)[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000163961332 521160039 /nfs/dbraw/zinc/16/00/39/521160039.db2.gz FICREUBOHINWNG-VBNZEHGJSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[C@H]([NH2+]CC(O)(CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000087014759 522569469 /nfs/dbraw/zinc/56/94/69/522569469.db2.gz PPBWFRTYSPGECN-AWEZNQCLSA-N 1 0 280.368 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CC1CCC1 ZINC000084439968 527355292 /nfs/dbraw/zinc/35/52/92/527355292.db2.gz ATVPPMNBTJSBHY-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000094371420 527400562 /nfs/dbraw/zinc/40/05/62/527400562.db2.gz MELMUQAWVADGPJ-CQSZACIVSA-N 1 0 290.363 3.176 20 5 CGBDRO CCCN(CC[NH+](CC)CC)Cc1cccc([N+](=O)[O-])c1 ZINC000359588104 528078093 /nfs/dbraw/zinc/07/80/93/528078093.db2.gz XOPJNVWQVAQPBD-UHFFFAOYSA-N 1 0 293.411 3.149 20 5 CGBDRO CC[NH+](CC)CCSc1ccccc1[N+](=O)[O-] ZINC000360246024 528165145 /nfs/dbraw/zinc/16/51/45/528165145.db2.gz RYAZGAUQEARZEY-UHFFFAOYSA-N 1 0 254.355 3.029 20 5 CGBDRO CCC[C@H]([NH2+][C@H](CC)CCO)c1cccc([N+](=O)[O-])c1 ZINC000131881331 528240646 /nfs/dbraw/zinc/24/06/46/528240646.db2.gz ZZMBDICKCLQOBB-HIFRSBDPSA-N 1 0 280.368 3.187 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)C1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000161635547 529199106 /nfs/dbraw/zinc/19/91/06/529199106.db2.gz WFBUDMWMJYMCAS-BLLLJJGKSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H](C)[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])OC ZINC000449401592 529213068 /nfs/dbraw/zinc/21/30/68/529213068.db2.gz HTPOATJSPVGMFL-HEHGZKQESA-N 1 0 294.395 3.177 20 5 CGBDRO CC[C@@H](O)CCC[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000358145286 529220373 /nfs/dbraw/zinc/22/03/73/529220373.db2.gz ABSRDJGILKVYFU-QWHCGFSZSA-N 1 0 280.368 3.105 20 5 CGBDRO CC(C)[C@@H]1C[C@@H]([NH2+]CCc2cccc([N+](=O)[O-])c2)CS1 ZINC000488443708 535269521 /nfs/dbraw/zinc/26/95/21/535269521.db2.gz BTEQGSABYKIKTC-HIFRSBDPSA-N 1 0 294.420 3.257 20 5 CGBDRO CC1(C)CC[C@@H](C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])O1 ZINC000495180545 535322330 /nfs/dbraw/zinc/32/23/30/535322330.db2.gz NSCVZQFPBXXOQK-VSKVDJIOSA-N 1 0 290.363 3.155 20 5 CGBDRO CC[N@H+](C/C(C)=C/c1cccc([N+](=O)[O-])c1)[C@@H]1CCOC1 ZINC000463023183 535765440 /nfs/dbraw/zinc/76/54/40/535765440.db2.gz HBNMXIIWCWWTKB-LRFDDAOPSA-N 1 0 290.363 3.109 20 5 CGBDRO CC[C@@H](O)[C@@H](CC)[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000313084475 535815405 /nfs/dbraw/zinc/81/54/05/535815405.db2.gz JHGXJTRNHLZSKF-RRFJBIMHSA-N 1 0 280.368 3.185 20 5 CGBDRO CCC1(C)CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000750053566 571737711 /nfs/dbraw/zinc/73/77/11/571737711.db2.gz RUUJFDGOLJIJBS-OAHLLOKOSA-N 1 0 292.379 3.140 20 5 CGBDRO COc1cc(C[NH2+]C[C@H](C)C(C)(C)C)c([N+](=O)[O-])cc1O ZINC000734509841 572662025 /nfs/dbraw/zinc/66/20/25/572662025.db2.gz MNILCDQCNOZWCJ-JTQLQIEISA-N 1 0 296.367 3.081 20 5 CGBDRO C[C@H]1CC[C@H](C)[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000743872754 572695104 /nfs/dbraw/zinc/69/51/04/572695104.db2.gz BTHPDWFDWBHLGL-QWRGUYRKSA-N 1 0 266.316 3.354 20 5 CGBDRO CC[N@H+](CCc1ccccn1)Cc1cccc([N+](=O)[O-])c1C ZINC000744194838 572721434 /nfs/dbraw/zinc/72/14/34/572721434.db2.gz WLURBITWZMXFAN-UHFFFAOYSA-N 1 0 299.374 3.363 20 5 CGBDRO CC(C)[NH2+][C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000749393660 572998103 /nfs/dbraw/zinc/99/81/03/572998103.db2.gz ZBCLOERRTONRTG-LLVKDONJSA-N 1 0 297.786 3.215 20 5 CGBDRO C[C@H](Cc1ccco1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000749397811 572999424 /nfs/dbraw/zinc/99/94/24/572999424.db2.gz XOTFRODMKPOZSD-WXJAXGNASA-N 1 0 286.331 3.422 20 5 CGBDRO C[N@H+](CCC1CC1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000749530363 573016776 /nfs/dbraw/zinc/01/67/76/573016776.db2.gz FYGYISDHWWGPCS-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO COc1ccc(C[NH2+]C2[C@H](C)CC[C@H]2C)cc1[N+](=O)[O-] ZINC000749925021 573060601 /nfs/dbraw/zinc/06/06/01/573060601.db2.gz UVLJGKNFCVTTOE-GHMZBOCLSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC12CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000934396578 618615925 /nfs/dbraw/zinc/61/59/25/618615925.db2.gz QBRIUENQSBDQFZ-SWLSCSKDSA-N 1 0 290.363 3.347 20 5 CGBDRO CC1(C)[C@@H]2C[N@@H+](Cc3ccc(Cl)c([N+](=O)[O-])c3)C[C@@H]21 ZINC000178021868 618853996 /nfs/dbraw/zinc/85/39/96/618853996.db2.gz XXGNRQKOUGCGJQ-PHIMTYICSA-N 1 0 280.755 3.336 20 5 CGBDRO O=[N+]([O-])c1ccc(CNc2[nH+]ccn2C2CC2)cc1Cl ZINC000840886990 618894281 /nfs/dbraw/zinc/89/42/81/618894281.db2.gz QKLTXQXBBAGKMQ-UHFFFAOYSA-N 1 0 292.726 3.392 20 5 CGBDRO CC(C)(C)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000313485284 619175625 /nfs/dbraw/zinc/17/56/25/619175625.db2.gz UUZFERFMLFQKFB-AWEZNQCLSA-N 1 0 280.368 3.044 20 5 CGBDRO COCC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000840955401 619262903 /nfs/dbraw/zinc/26/29/03/619262903.db2.gz RGZUDDHVZVJJTP-SNVBAGLBSA-N 1 0 286.759 3.010 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000932178548 619307684 /nfs/dbraw/zinc/30/76/84/619307684.db2.gz PGDZMWCEABEXFY-IUODEOHRSA-N 1 0 280.368 3.043 20 5 CGBDRO COc1c(O)ccc(C[NH2+]CC(C)(C)C(C)C)c1[N+](=O)[O-] ZINC000893888632 619329268 /nfs/dbraw/zinc/32/92/68/619329268.db2.gz LGTPTEWXRUDRAA-UHFFFAOYSA-N 1 0 296.367 3.081 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498950 619554108 /nfs/dbraw/zinc/55/41/08/619554108.db2.gz MIRCELAJBQCHFX-JQWIXIFHSA-N 1 0 294.351 3.072 20 5 CGBDRO CCC1([NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CCCC1 ZINC000894689829 619605813 /nfs/dbraw/zinc/60/58/13/619605813.db2.gz MXCNWAZRZJWUNS-UHFFFAOYSA-N 1 0 294.351 3.121 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCS1 ZINC000149939819 620218154 /nfs/dbraw/zinc/21/81/54/620218154.db2.gz OUIACEHWZDSGLP-NSHDSACASA-N 1 0 286.784 3.233 20 5 CGBDRO CC(C)[C@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463988 620340426 /nfs/dbraw/zinc/34/04/26/620340426.db2.gz DTYURDXPGOLWOA-RYUDHWBXSA-N 1 0 250.342 3.332 20 5 CGBDRO CS[C@@H]1CC[C@@H]1[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000897463446 620340430 /nfs/dbraw/zinc/34/04/30/620340430.db2.gz GDRQDSMMAXMGAH-VHRBIJSZSA-N 1 0 280.393 3.182 20 5 CGBDRO C[C@H](C[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccccc1[N+](=O)[O-] ZINC000897463451 620340506 /nfs/dbraw/zinc/34/05/06/620340506.db2.gz GGADNYYTYOZCIX-YIYPIFLZSA-N 1 0 292.379 3.244 20 5 CGBDRO Cc1nc(C)c(C[NH2+]C[C@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897463786 620340608 /nfs/dbraw/zinc/34/06/08/620340608.db2.gz IXYJBPTVGJLGDD-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO C[C@@H](C[NH2+]C[C@H]1CCSC1)c1ccccc1[N+](=O)[O-] ZINC000897465462 620340628 /nfs/dbraw/zinc/34/06/28/620340628.db2.gz WVHUQBMZFOGLOQ-NWDGAFQWSA-N 1 0 280.393 3.041 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccccn1 ZINC000897466019 620340753 /nfs/dbraw/zinc/34/07/53/620340753.db2.gz MJRHAZUMZMWPEJ-CHWSQXEVSA-N 1 0 285.347 3.444 20 5 CGBDRO CO[C@H]1CCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000903120821 621587854 /nfs/dbraw/zinc/58/78/54/621587854.db2.gz OXKCBFKXFGQTMH-HOTGVXAUSA-N 1 0 292.379 3.075 20 5 CGBDRO COc1cc([C@H](C)[NH2+]C[C@@H]2CCSC2)cc([N+](=O)[O-])c1 ZINC000903164270 621609443 /nfs/dbraw/zinc/60/94/43/621609443.db2.gz KOBHMHPKBIGMTN-QWRGUYRKSA-N 1 0 296.392 3.007 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CCSC(C)C)cc([N+](=O)[O-])c1 ZINC000903172515 621612484 /nfs/dbraw/zinc/61/24/84/621612484.db2.gz ZOQNIRNJSIBGFJ-LLVKDONJSA-N 1 0 298.408 3.396 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1cc(OC)cc([N+](=O)[O-])c1)OC ZINC000903177611 621614047 /nfs/dbraw/zinc/61/40/47/621614047.db2.gz QGOJUBSXMWHHDB-FZMZJTMJSA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cc([N+](=O)[O-])c1 ZINC000903193550 621621150 /nfs/dbraw/zinc/62/11/50/621621150.db2.gz FRUITXKNSSDAMU-RBZYPMLTSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cncs1)c1ccc([N+](=O)[O-])cc1 ZINC000903286821 621669962 /nfs/dbraw/zinc/66/99/62/621669962.db2.gz HHMNAWYBSDLKLX-ZJUUUORDSA-N 1 0 277.349 3.463 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]2CCC[C@@H]21)c1cccc([N+](=O)[O-])c1 ZINC000903315785 621686517 /nfs/dbraw/zinc/68/65/17/621686517.db2.gz HLBHFTAORFTRIJ-MMMKDXCPSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C/C=C/Cl ZINC000903443313 621754546 /nfs/dbraw/zinc/75/45/46/621754546.db2.gz FZEKQQLCWOKVEV-MAHOQKISSA-N 1 0 272.707 3.007 20 5 CGBDRO CC1(C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000224172076 622870141 /nfs/dbraw/zinc/87/01/41/622870141.db2.gz KUUDVSKSBNLWML-UHFFFAOYSA-N 1 0 254.717 3.138 20 5 CGBDRO C[N@H+](CC1CCCC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000058207517 622909774 /nfs/dbraw/zinc/90/97/74/622909774.db2.gz XUYCVFKMKOCYEH-UHFFFAOYSA-N 1 0 288.351 3.024 20 5 CGBDRO CSCC[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000168130766 622991980 /nfs/dbraw/zinc/99/19/80/622991980.db2.gz LFEHZWJLLJIWAW-SECBINFHSA-N 1 0 288.800 3.479 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000324213552 623740086 /nfs/dbraw/zinc/74/00/86/623740086.db2.gz VGCMRMZYYJQXIV-GFCCVEGCSA-N 1 0 252.289 3.012 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000324213553 623740498 /nfs/dbraw/zinc/74/04/98/623740498.db2.gz VGCMRMZYYJQXIV-LBPRGKRZSA-N 1 0 252.289 3.012 20 5 CGBDRO CN(Cc1ccc2ccccc2c1)Cn1cc([N+](=O)[O-])cn1 ZINC000914566409 623830335 /nfs/dbraw/zinc/83/03/35/623830335.db2.gz FMQUAVFIQXUKHX-UHFFFAOYSA-N 1 0 296.330 3.034 20 5 CGBDRO Cc1cnccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000229659180 626087606 /nfs/dbraw/zinc/08/76/06/626087606.db2.gz PRYDIUMFYRLEQW-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000922967385 626109951 /nfs/dbraw/zinc/10/99/51/626109951.db2.gz HUZWVVXPFCTCAW-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839659688 626771662 /nfs/dbraw/zinc/77/16/62/626771662.db2.gz GNTYJVNKEGLJPX-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@]1(C)CC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000758397993 626841880 /nfs/dbraw/zinc/84/18/80/626841880.db2.gz RZMBPNPQXVHEKQ-HNNXBMFYSA-N 1 0 288.351 3.024 20 5 CGBDRO CC(C)[N@H+](C)CCCNCc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000761520983 627047130 /nfs/dbraw/zinc/04/71/30/627047130.db2.gz HOHMJPNRAFGPSQ-UHFFFAOYSA-N 1 0 299.802 3.068 20 5 CGBDRO Cc1nn(C[N@@H+](C)CCC(C)C)c2ccc([N+](=O)[O-])cc12 ZINC000764918396 627233060 /nfs/dbraw/zinc/23/30/60/627233060.db2.gz BBQMWKWLBINABM-UHFFFAOYSA-N 1 0 290.367 3.188 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000764942734 627233653 /nfs/dbraw/zinc/23/36/53/627233653.db2.gz WRFQVIRKFDGTKL-LBPRGKRZSA-N 1 0 293.342 3.163 20 5 CGBDRO CCc1cc(C[NH2+][C@H](CC)c2cccc([N+](=O)[O-])c2)[nH]n1 ZINC000766000554 627284938 /nfs/dbraw/zinc/28/49/38/627284938.db2.gz FHXAKHDIVIFKIK-OAHLLOKOSA-N 1 0 288.351 3.121 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCN2CCC[C@H]2C)cccc1[N+](=O)[O-] ZINC000766270439 627308959 /nfs/dbraw/zinc/30/89/59/627308959.db2.gz BYNYXACYFIUMHL-OCCSQVGLSA-N 1 0 291.395 3.038 20 5 CGBDRO CC[C@@H]([NH2+]CCN1CCC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269257 627309126 /nfs/dbraw/zinc/30/91/26/627309126.db2.gz MEKKGOLJRTWDLG-CZUORRHYSA-N 1 0 291.395 3.120 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C2CCC(C)(O)CC2)cccc1[N+](=O)[O-] ZINC000766480950 627336380 /nfs/dbraw/zinc/33/63/80/627336380.db2.gz XCWIDIKGUIVBCM-VEAWUBTESA-N 1 0 292.379 3.247 20 5 CGBDRO O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CCC2)n1 ZINC000774260321 627970077 /nfs/dbraw/zinc/97/00/77/627970077.db2.gz QBSHTWOSTQJJES-ZIAGYGMSSA-N 1 0 292.383 3.055 20 5 CGBDRO CC(C)CC[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000776578600 628220240 /nfs/dbraw/zinc/22/02/40/628220240.db2.gz HHGVCBMPROJOIK-MRXNPFEDSA-N 1 0 292.379 3.139 20 5 CGBDRO CCC1(C)CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581581 628221087 /nfs/dbraw/zinc/22/10/87/628221087.db2.gz KNRQAYHBQKDBGX-OAHLLOKOSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CCO1 ZINC000783653291 628735834 /nfs/dbraw/zinc/73/58/34/628735834.db2.gz ZZHMJOIWMQGSJU-JQWIXIFHSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC1(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788628772 629070265 /nfs/dbraw/zinc/07/02/65/629070265.db2.gz PEBKYKXUYQEWPQ-IINYFYTJSA-N 1 0 277.368 3.406 20 5 CGBDRO C[C@@H]1CCC[N@@H+]1CCNc1cc(Cl)ccc1[N+](=O)[O-] ZINC000804521193 630534159 /nfs/dbraw/zinc/53/41/59/630534159.db2.gz LNPVRRJBRCREJD-SNVBAGLBSA-N 1 0 283.759 3.144 20 5 CGBDRO CC[NH+](CC)[C@@H]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC000804523817 630534920 /nfs/dbraw/zinc/53/49/20/630534920.db2.gz BOUSDDPIUBKYQY-GFCCVEGCSA-N 1 0 297.786 3.169 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815553806 631794507 /nfs/dbraw/zinc/79/45/07/631794507.db2.gz KIMTVLLJCAXEET-SNVBAGLBSA-N 1 0 289.310 3.167 20 5 CGBDRO [NH3+]C[C@H]1CC[C@H](COc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000818617780 632342780 /nfs/dbraw/zinc/34/27/80/632342780.db2.gz JQWZQLHZAXICJS-XYPYZODXSA-N 1 0 298.770 3.392 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C(C1CC1)C1CC1 ZINC000866242176 633041679 /nfs/dbraw/zinc/04/16/79/633041679.db2.gz JDACVRCTTBFREJ-JTQLQIEISA-N 1 0 292.354 3.443 20 5 CGBDRO CC[C@](C)(C[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866367682 633104668 /nfs/dbraw/zinc/10/46/68/633104668.db2.gz MXPNYUFRPMHRMT-XHDPSFHLSA-N 1 0 298.358 3.070 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1ccoc1 ZINC000866389872 633116766 /nfs/dbraw/zinc/11/67/66/633116766.db2.gz PULPLAVOQWXGJB-LLVKDONJSA-N 1 0 292.310 3.090 20 5 CGBDRO COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000866540697 633183529 /nfs/dbraw/zinc/18/35/29/633183529.db2.gz RTTHQAIMKURVTK-CABCVRRESA-N 1 0 292.379 3.198 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@H]1C ZINC000824814443 633294659 /nfs/dbraw/zinc/29/46/59/633294659.db2.gz ADVUPALROZQULO-QMTHXVAHSA-N 1 0 298.770 3.105 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc([N+](=O)[O-])cc1 ZINC000871931758 633919117 /nfs/dbraw/zinc/91/91/17/633919117.db2.gz KDIUDZFQANVKAF-YOENINGUSA-N 1 0 290.363 3.203 20 5 CGBDRO CCOCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872015999 633937335 /nfs/dbraw/zinc/93/73/35/633937335.db2.gz BDKUQAKPILIJFQ-NSHDSACASA-N 1 0 298.408 3.394 20 5 CGBDRO CS[C@H](C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872050634 633972918 /nfs/dbraw/zinc/97/29/18/633972918.db2.gz ALGJZGRGGDFFKU-BDAKNGLRSA-N 1 0 272.345 3.136 20 5 CGBDRO CCC(CC)(CO)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051530 633974809 /nfs/dbraw/zinc/97/48/09/633974809.db2.gz KXEQDPGKLXPGIS-LLVKDONJSA-N 1 0 298.358 3.183 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872052348 633975811 /nfs/dbraw/zinc/97/58/11/633975811.db2.gz CKZMMGLXLOMCQT-WRWGMCAJSA-N 1 0 296.342 3.341 20 5 CGBDRO COCC1([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2SC)CC1 ZINC000872057762 633980416 /nfs/dbraw/zinc/98/04/16/633980416.db2.gz IBJNTVOEYSLUBU-JTQLQIEISA-N 1 0 296.392 3.146 20 5 CGBDRO CCOC(C)(C)C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064732 633987748 /nfs/dbraw/zinc/98/77/48/633987748.db2.gz LCJZKOIAYLUFPL-SNVBAGLBSA-N 1 0 284.331 3.200 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCCCO ZINC000872067753 633990063 /nfs/dbraw/zinc/99/00/63/633990063.db2.gz SNCXHNXPBJBSHV-LLVKDONJSA-N 1 0 298.408 3.130 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)c1c(F)cccc1[N+](=O)[O-] ZINC000872070473 633992180 /nfs/dbraw/zinc/99/21/80/633992180.db2.gz CXIOSDGLYCSAHV-GRYCIOLGSA-N 1 0 296.342 3.057 20 5 CGBDRO CC[C@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC)OC ZINC000872073582 633995187 /nfs/dbraw/zinc/99/51/87/633995187.db2.gz SBTIZOFCSOMTGR-CMPLNLGQSA-N 1 0 298.408 3.392 20 5 CGBDRO COCC(C)(C)C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872074693 633996962 /nfs/dbraw/zinc/99/69/62/633996962.db2.gz ZYGRERSJRFYLMU-JTQLQIEISA-N 1 0 284.331 3.057 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])[C@@H](O)C(C)C ZINC000872079603 634003055 /nfs/dbraw/zinc/00/30/55/634003055.db2.gz JMAUKXOGDPCNRW-GMXABZIVSA-N 1 0 298.358 3.180 20 5 CGBDRO CSc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CO[C@@H](C)C1 ZINC000872082000 634006578 /nfs/dbraw/zinc/00/65/78/634006578.db2.gz NDYQFOBTXBVEJE-GARJFASQSA-N 1 0 296.392 3.145 20 5 CGBDRO C[C@H]([NH2+]CCc1ccoc1)c1c(F)cccc1[N+](=O)[O-] ZINC000872083801 634008081 /nfs/dbraw/zinc/00/80/81/634008081.db2.gz ACJLHKRCXRENKX-JTQLQIEISA-N 1 0 278.283 3.220 20 5 CGBDRO C[C@H]([NH2+]C[C@@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086396 634011390 /nfs/dbraw/zinc/01/13/90/634011390.db2.gz VROZAHXIZCAGOD-QPUJVOFHSA-N 1 0 288.269 3.430 20 5 CGBDRO O=[N+]([O-])c1ccc([C@@H](O)C[NH+]2CCCCCCCC2)cc1 ZINC000831937812 634016887 /nfs/dbraw/zinc/01/68/87/634016887.db2.gz XUMQNCKCUPESDU-INIZCTEOSA-N 1 0 292.379 3.284 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000873080371 634242315 /nfs/dbraw/zinc/24/23/15/634242315.db2.gz NMVDEAGDTPNQAG-LLVKDONJSA-N 1 0 284.306 3.489 20 5 CGBDRO CC(C)OC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000873167552 634269381 /nfs/dbraw/zinc/26/93/81/634269381.db2.gz XCFALSWCIJLMLS-UHFFFAOYSA-N 1 0 296.342 3.171 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)CC1CCOCC1 ZINC000876720129 634884983 /nfs/dbraw/zinc/88/49/83/634884983.db2.gz CKJWWJMYHQCRMV-UHFFFAOYSA-N 1 0 292.379 3.070 20 5 CGBDRO CCCCCC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876905032 634925714 /nfs/dbraw/zinc/92/57/14/634925714.db2.gz NZUCNICQRJYZRJ-HSBZDZAISA-N 1 0 294.399 3.443 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1CCCSCC1 ZINC000877171105 635005953 /nfs/dbraw/zinc/00/59/53/635005953.db2.gz ZFSDMKQMTLWUSK-UHFFFAOYSA-N 1 0 280.393 3.151 20 5 CGBDRO COCC[C@@H](C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000840954705 635092113 /nfs/dbraw/zinc/09/21/13/635092113.db2.gz IJXKVZXQEHBTLI-SNVBAGLBSA-N 1 0 286.759 3.010 20 5 CGBDRO CN(CC[NH2+]C(C)(C)C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000841004152 635104227 /nfs/dbraw/zinc/10/42/27/635104227.db2.gz NDXNNAVVTKAPFD-UHFFFAOYSA-N 1 0 299.802 3.068 20 5 CGBDRO CC(C)([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000877701999 635152929 /nfs/dbraw/zinc/15/29/29/635152929.db2.gz GJXFBNFKKHNNHD-OAHLLOKOSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccsc1 ZINC000126725156 635224903 /nfs/dbraw/zinc/22/49/03/635224903.db2.gz JSJATUJRKQIKQR-IINYFYTJSA-N 1 0 292.360 3.041 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000879528330 635804305 /nfs/dbraw/zinc/80/43/05/635804305.db2.gz AUSIKKVMHUKSIQ-TXEJJXNPSA-N 1 0 276.311 3.132 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000880454905 636002948 /nfs/dbraw/zinc/00/29/48/636002948.db2.gz PWLREVBKOFQUCI-UHFFFAOYSA-N 1 0 290.363 3.130 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc([N+](=O)[O-])c(F)c1)[C@@H]1CCCOC1 ZINC000880470205 636006671 /nfs/dbraw/zinc/00/66/71/636006671.db2.gz OCIUARLZKSIKGH-OCCSQVGLSA-N 1 0 296.342 3.029 20 5 CGBDRO CCC(C)(C)[NH+]1CCN(c2cccc(F)c2[N+](=O)[O-])CC1 ZINC000848761942 636653673 /nfs/dbraw/zinc/65/36/73/636653673.db2.gz BKVOQTIDFDKASI-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO Cc1cccc(NC(=[NH2+])NCCc2ccc([N+](=O)[O-])cc2)c1 ZINC000849065063 636737470 /nfs/dbraw/zinc/73/74/70/636737470.db2.gz NITPANSUMZAEBR-UHFFFAOYSA-N 1 0 298.346 3.082 20 5 CGBDRO C[C@H]([NH2+]CCCOC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850525816 637104040 /nfs/dbraw/zinc/10/40/40/637104040.db2.gz MGITYPIUFFIZFZ-NSHDSACASA-N 1 0 295.383 3.033 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccco1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000850570616 637128752 /nfs/dbraw/zinc/12/87/52/637128752.db2.gz XQDXFARJLNMDKV-NSHDSACASA-N 1 0 289.335 3.053 20 5 CGBDRO CCC[C@@H]1CCC[N@H+](Cc2cccnc2[N+](=O)[O-])C1 ZINC000886039676 637380883 /nfs/dbraw/zinc/38/08/83/637380883.db2.gz OEGHHIKSRYNWHM-GFCCVEGCSA-N 1 0 263.341 3.002 20 5 CGBDRO C[C@H]([NH2+]Cc1cccnc1[N+](=O)[O-])[C@@]12C[C@@H]1CCCC2 ZINC000886307546 637492803 /nfs/dbraw/zinc/49/28/03/637492803.db2.gz VYZVVJDGBNXJOD-CORIIIEPSA-N 1 0 275.352 3.048 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[N@H+](CCC1CCC1)C2 ZINC000851869728 637526551 /nfs/dbraw/zinc/52/65/51/637526551.db2.gz PDSCFYABQWUODI-UHFFFAOYSA-N 1 0 260.337 3.143 20 5 CGBDRO Cc1noc(C[N@@H+]2CCCC3(CCCC3)C2)c1[N+](=O)[O-] ZINC000851968725 637562597 /nfs/dbraw/zinc/56/25/97/637562597.db2.gz QCPWNZQXWZEULE-UHFFFAOYSA-N 1 0 279.340 3.047 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000852532605 637675037 /nfs/dbraw/zinc/67/50/37/637675037.db2.gz JYHSJJMEBVLIRL-NSHDSACASA-N 1 0 284.306 3.306 20 5 CGBDRO C[C@@H](N[C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000925827063 638623929 /nfs/dbraw/zinc/62/39/29/638623929.db2.gz QONVDXKQFRAWPW-LQAWEQHXSA-N 1 0 297.358 3.390 20 5 CGBDRO CCOC1CC(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000932179009 639289027 /nfs/dbraw/zinc/28/90/27/639289027.db2.gz VIJCLDXOGOJXFH-XIKARTHZSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@]1(Cc2cc(Cl)cs2)CCC[N@@H+]1CC[N+](=O)[O-] ZINC000932921069 639400105 /nfs/dbraw/zinc/40/01/05/639400105.db2.gz WLUIGIWHFYWYOG-GFCCVEGCSA-N 1 0 288.800 3.075 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCOC23CCCC3)cc1[N+](=O)[O-] ZINC000934383133 639598559 /nfs/dbraw/zinc/59/85/59/639598559.db2.gz KRLSOXZGYSRMPL-HNNXBMFYSA-N 1 0 290.363 3.095 20 5 CGBDRO C[C@@H]1CC=CC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000934625432 639642671 /nfs/dbraw/zinc/64/26/71/639642671.db2.gz JUWKPDUIIINPGX-ZWNOBZJWSA-N 1 0 264.300 3.178 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934776419 639674119 /nfs/dbraw/zinc/67/41/19/639674119.db2.gz DLTRYQFJDVOQEH-ZOWXZIJZSA-N 1 0 292.404 3.341 20 5 CGBDRO CC[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)C1 ZINC000042095340 639910360 /nfs/dbraw/zinc/91/03/60/639910360.db2.gz VKZXEESICHKCMN-GFCCVEGCSA-N 1 0 288.351 3.024 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773081 640802740 /nfs/dbraw/zinc/80/27/40/640802740.db2.gz BJDPJOAFEPCLFW-MFKMUULPSA-N 1 0 266.316 3.402 20 5 CGBDRO C[NH+](C)Cc1ccc2[nH]c(-c3ccc([N+](=O)[O-])cc3)nc2c1 ZINC001250661795 805750431 /nfs/dbraw/zinc/75/04/31/805750431.db2.gz OMFQVQJIZJIVAY-UHFFFAOYSA-N 1 0 296.330 3.200 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)CC[NH2+]C3)cc1[N+](=O)[O-] ZINC001159604539 806130799 /nfs/dbraw/zinc/13/07/99/806130799.db2.gz ZRCYHMDKNHALFC-UHFFFAOYSA-N 1 0 283.331 3.293 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1Nc1ccc(CC[NH3+])cc1 ZINC001159639760 806139540 /nfs/dbraw/zinc/13/95/40/806139540.db2.gz FBFKHGIUPMKMAB-UHFFFAOYSA-N 1 0 271.320 3.148 20 5 CGBDRO O=[N+]([O-])c1ccccc1Nc1ccc2c(c1)CC[NH2+]CC2 ZINC001159679566 806149436 /nfs/dbraw/zinc/14/94/36/806149436.db2.gz UNPLVUYEDLOWHF-UHFFFAOYSA-N 1 0 283.331 3.027 20 5 CGBDRO C1=C(Nc2ccc3nc4ccccc4cc3c2)C[NH2+]C1 ZINC001159741649 806164684 /nfs/dbraw/zinc/16/46/84/806164684.db2.gz MYKCGCLXXNWZAS-UHFFFAOYSA-N 1 0 261.328 3.287 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCc1cccnc1 ZINC001254541248 806446190 /nfs/dbraw/zinc/44/61/90/806446190.db2.gz ZSBOUCZDFSFVNP-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCCOC(C)(C)C1 ZINC001254561306 806451668 /nfs/dbraw/zinc/45/16/68/806451668.db2.gz GHZALFBMVFRISM-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO CC1(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC(F)(F)C1 ZINC001254574014 806454471 /nfs/dbraw/zinc/45/44/71/806454471.db2.gz FIUNOALBGGTXFA-GFCCVEGCSA-N 1 0 296.317 3.087 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccoc1 ZINC001254581057 806455378 /nfs/dbraw/zinc/45/53/78/806455378.db2.gz JNZGJVDLZZWRCE-QMTHXVAHSA-N 1 0 272.304 3.006 20 5 CGBDRO C[C@@]1(F)CCCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254594986 806457567 /nfs/dbraw/zinc/45/75/67/806457567.db2.gz ULRWKXUOHVZHNO-JKSUJKDBSA-N 1 0 292.354 3.276 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1Cc3ccc(F)cc3C1)C2 ZINC001254602309 806458578 /nfs/dbraw/zinc/45/85/78/806458578.db2.gz CYAIABGJSAQFRQ-QGZVFWFLSA-N 1 0 298.317 3.217 20 5 CGBDRO C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@H](C)C1 ZINC001254603022 806459976 /nfs/dbraw/zinc/45/99/76/806459976.db2.gz KLQDNMARJDQJTQ-XHBSWPGZSA-N 1 0 274.364 3.182 20 5 CGBDRO Cc1cc(N[C@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])s1 ZINC001162111157 806506432 /nfs/dbraw/zinc/50/64/32/806506432.db2.gz INJWXYBUJWJTJV-SNVBAGLBSA-N 1 0 283.397 3.251 20 5 CGBDRO Cc1cc(Cl)c(N[C@@]23CCC[C@@H]2[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001162989989 806691015 /nfs/dbraw/zinc/69/10/15/806691015.db2.gz YMYQVNPJQCCKHO-GXTWGEPZSA-N 1 0 295.770 3.253 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1ccccc1[N+](=O)[O-] ZINC000353629390 799330629 /nfs/dbraw/zinc/33/06/29/799330629.db2.gz FPMDKVQKPOKECS-MFKMUULPSA-N 1 0 286.335 3.046 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]CCC[C@H]2CCOC2)c1 ZINC000401950474 799559211 /nfs/dbraw/zinc/55/92/11/799559211.db2.gz ZFRIBTOPXONDEL-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2(C3CCC3)CC2)cc1F ZINC000697375792 799845271 /nfs/dbraw/zinc/84/52/71/799845271.db2.gz JKDUKWKBRHLYCY-UHFFFAOYSA-N 1 0 264.300 3.156 20 5 CGBDRO COC(C)(C)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000711909091 800081100 /nfs/dbraw/zinc/08/11/00/800081100.db2.gz BQKKZIHDSRMFEG-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCS2)c(F)c1 ZINC000715794450 800147423 /nfs/dbraw/zinc/14/74/23/800147423.db2.gz XGIMHXHGCWFMTM-LBPRGKRZSA-N 1 0 284.356 3.109 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC3(CCC3)CO2)cs1 ZINC000716532763 800174990 /nfs/dbraw/zinc/17/49/90/800174990.db2.gz KHTKSCMQMYJUPT-GFCCVEGCSA-N 1 0 296.392 3.095 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC[C@@H]2CC[C@@H]3C[C@@H]32)cs1 ZINC000717001015 800188667 /nfs/dbraw/zinc/18/86/67/800188667.db2.gz NWZSXTBGJZBNOH-QJPTWQEYSA-N 1 0 266.366 3.182 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC(C)(C)CO1)c1ccc([N+](=O)[O-])cc1 ZINC000717563712 800204632 /nfs/dbraw/zinc/20/46/32/800204632.db2.gz SXPJYVQPSXWUEU-FZMZJTMJSA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)(C)C[C@@H]1C[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001120602578 802752947 /nfs/dbraw/zinc/75/29/47/802752947.db2.gz FADHKMIUTXFVLZ-NWANDNLSSA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1cccc(NCC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC001165278417 806984902 /nfs/dbraw/zinc/98/49/02/806984902.db2.gz GSHGYAZMGOSOQS-ZDUSSCGKSA-N 1 0 277.368 3.047 20 5 CGBDRO Cc1cccc(NCC2CC[NH+](C(C)C)CC2)c1[N+](=O)[O-] ZINC001166616019 807069865 /nfs/dbraw/zinc/06/98/65/807069865.db2.gz QRBLXEACKPOUDJ-UHFFFAOYSA-N 1 0 291.395 3.436 20 5 CGBDRO CC(C)CC[C@H]1CCCC[N@@H+]1Cc1cn(C)nc1[N+](=O)[O-] ZINC001167905646 807271556 /nfs/dbraw/zinc/27/15/56/807271556.db2.gz SMARQLRXFVOZAI-CQSZACIVSA-N 1 0 294.399 3.119 20 5 CGBDRO CC(C)Oc1cccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168966570 807542834 /nfs/dbraw/zinc/54/28/34/807542834.db2.gz JNLGOEWAMWXCAE-HUUCEWRRSA-N 1 0 292.379 3.009 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc3ccccc3c2)C1 ZINC001168968774 807543860 /nfs/dbraw/zinc/54/38/60/807543860.db2.gz AJAORYLUCCGPLD-YOEHRIQHSA-N 1 0 284.359 3.375 20 5 CGBDRO CCC1([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168972802 807543992 /nfs/dbraw/zinc/54/39/92/807543992.db2.gz BJDXVXIDXDYQCX-OLZOCXBDSA-N 1 0 254.374 3.134 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@@H]2c2cccc(Cl)c2)C1 ZINC001168976252 807544959 /nfs/dbraw/zinc/54/49/59/807544959.db2.gz CADRXPWMDBRGAX-AQNFWKISSA-N 1 0 294.782 3.231 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168979895 807545950 /nfs/dbraw/zinc/54/59/50/807545950.db2.gz BZLMBQXOKXAURG-QMTHXVAHSA-N 1 0 298.333 3.235 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c1 ZINC001168985842 807546643 /nfs/dbraw/zinc/54/66/43/807546643.db2.gz VEBIFARZKFUYSC-VNHYZAJKSA-N 1 0 262.353 3.091 20 5 CGBDRO Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168987002 807546697 /nfs/dbraw/zinc/54/66/97/807546697.db2.gz GYJGVLRVONPHLY-RRFJBIMHSA-N 1 0 276.380 3.399 20 5 CGBDRO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168982073 807547294 /nfs/dbraw/zinc/54/72/94/807547294.db2.gz IHXZSUHPFPXUIQ-MELADBBJSA-N 1 0 262.353 3.091 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c(F)c1F ZINC001168991928 807548093 /nfs/dbraw/zinc/54/80/93/807548093.db2.gz IIQJRWKJQJTBTB-QJPTWQEYSA-N 1 0 298.333 3.369 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2(c3ccccc3)CCC2)C1 ZINC001168987999 807548289 /nfs/dbraw/zinc/54/82/89/807548289.db2.gz MKSUMTJHKWRFQS-HIFRSBDPSA-N 1 0 274.364 3.101 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1C ZINC001168987935 807548362 /nfs/dbraw/zinc/54/83/62/807548362.db2.gz LKROFQPLNCSNKE-LZWOXQAQSA-N 1 0 276.380 3.399 20 5 CGBDRO Cc1ccccc1C(C)(C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168998225 807548722 /nfs/dbraw/zinc/54/87/22/807548722.db2.gz KDRJVHMMROSKBX-UONOGXRCSA-N 1 0 276.380 3.265 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2(c3cccc(F)c3)CCC2)C1 ZINC001168997470 807549011 /nfs/dbraw/zinc/54/90/11/807549011.db2.gz ZQXYKXFWFSAAGI-IUODEOHRSA-N 1 0 292.354 3.240 20 5 CGBDRO CCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCC(F)(F)CC1 ZINC001168998529 807549469 /nfs/dbraw/zinc/54/94/69/807549469.db2.gz OHVNQNXSJYSXGJ-RYUDHWBXSA-N 1 0 290.354 3.380 20 5 CGBDRO C[N@H+](Cc1cccc(Cl)c1)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169024370 807554317 /nfs/dbraw/zinc/55/43/17/807554317.db2.gz GUMXMFVERYLCAD-JSGCOSHPSA-N 1 0 282.771 3.217 20 5 CGBDRO CCc1ccc(C[N@H+](C)[C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001169035151 807555252 /nfs/dbraw/zinc/55/52/52/807555252.db2.gz AQKGONSJGDPHFB-HZPDHXFCSA-N 1 0 276.380 3.126 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042146 807556716 /nfs/dbraw/zinc/55/67/16/807556716.db2.gz DDVYIDKLLMXOMY-KBXIAJHMSA-N 1 0 286.375 3.019 20 5 CGBDRO CC1(C)C[N@@H+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)Cc2ccccc21 ZINC001169039262 807556822 /nfs/dbraw/zinc/55/68/22/807556822.db2.gz OSEIKYGSLWJAQH-UKRRQHHQSA-N 1 0 288.391 3.225 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2Cc3cccc(Cl)c3C2)C1 ZINC001169038754 807557751 /nfs/dbraw/zinc/55/77/51/807557751.db2.gz KIEUTRUKSITTSB-CMPLNLGQSA-N 1 0 280.755 3.101 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@H](C2)c2ccccc23)C1 ZINC001169042147 807557793 /nfs/dbraw/zinc/55/77/93/807557793.db2.gz DDVYIDKLLMXOMY-XQLPTFJDSA-N 1 0 286.375 3.019 20 5 CGBDRO CC[N@H+](Cc1cc(C(=O)OC)ccc1[N+](=O)[O-])C(C)(C)C ZINC001261504357 807752091 /nfs/dbraw/zinc/75/20/91/807752091.db2.gz GDGGQINFMQFIPR-UHFFFAOYSA-N 1 0 294.351 3.002 20 5 CGBDRO CC[N@H+]([C@@H](C)Cc1ccc(OC)cc1[N+](=O)[O-])C1CC1 ZINC001170329737 807826468 /nfs/dbraw/zinc/82/64/68/807826468.db2.gz SRDVEYRDZGWVNY-NSHDSACASA-N 1 0 278.352 3.019 20 5 CGBDRO CC[N@H+](C1CC1)[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172909212 808475858 /nfs/dbraw/zinc/47/58/58/808475858.db2.gz QVIUNOUNQURAAQ-AWEZNQCLSA-N 1 0 274.364 3.327 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CCC[C@H](F)C1)CC2 ZINC001172908502 808475972 /nfs/dbraw/zinc/47/59/72/808475972.db2.gz DAQSMVQYKKXEKT-GJZGRUSLSA-N 1 0 292.354 3.276 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1C[C@H]3CC[C@@H]1C3)CC2 ZINC001172914512 808477176 /nfs/dbraw/zinc/47/71/76/808477176.db2.gz HFHREDVMURBOMP-APHBMKBZSA-N 1 0 286.375 3.327 20 5 CGBDRO CCCC[N@H+](C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173183792 808533392 /nfs/dbraw/zinc/53/33/92/808533392.db2.gz JKHZTDGPWDUDOM-NSHDSACASA-N 1 0 298.358 3.405 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H](C)C2CC2)c1F ZINC001173177105 808533402 /nfs/dbraw/zinc/53/34/02/808533402.db2.gz ONSFDMXYBXXOGQ-ZJUUUORDSA-N 1 0 296.342 3.062 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccs1 ZINC001173216993 808538666 /nfs/dbraw/zinc/53/86/66/808538666.db2.gz OPEWLIKESOXAOP-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)c1cccnc1 ZINC001173216102 808538873 /nfs/dbraw/zinc/53/88/73/808538873.db2.gz KJQZTOXXDVHTLX-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(O)c1 ZINC001173215179 808539073 /nfs/dbraw/zinc/53/90/73/808539073.db2.gz UEIWDRMIRPFWHE-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]Cc1cccc(O)c1 ZINC001173215180 808539080 /nfs/dbraw/zinc/53/90/80/808539080.db2.gz UEIWDRMIRPFWHE-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO Cc1cccnc1C[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173213140 808539128 /nfs/dbraw/zinc/53/91/28/808539128.db2.gz DXOLHYOQPMIRSN-ZDUSSCGKSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H](C)C[C@H]1CF ZINC001173220974 808540053 /nfs/dbraw/zinc/54/00/53/808540053.db2.gz DULKWWSSDAWTHR-ZOWXZIJZSA-N 1 0 280.343 3.206 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCc2ncccc21 ZINC001173220131 808540153 /nfs/dbraw/zinc/54/01/53/808540153.db2.gz UNWQLGZIWNMJDW-PXAZEXFGSA-N 1 0 297.358 3.198 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC001173227108 808541113 /nfs/dbraw/zinc/54/11/13/808541113.db2.gz OCVXFYMDCWBZDQ-SMDDNHRTSA-N 1 0 296.317 3.257 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC12CCC2 ZINC001173226726 808541505 /nfs/dbraw/zinc/54/15/05/808541505.db2.gz YYUKHMORMKDLSX-RISCZKNCSA-N 1 0 260.337 3.058 20 5 CGBDRO CC[N@H+](C(C)C)[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173224297 808541738 /nfs/dbraw/zinc/54/17/38/808541738.db2.gz DKPVNOCQTXDSGO-GFCCVEGCSA-N 1 0 250.342 3.256 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)C[C@H]1CCCCO1 ZINC001173226115 808541839 /nfs/dbraw/zinc/54/18/39/808541839.db2.gz HQUHOGLQMFGUKT-XJKSGUPXSA-N 1 0 292.379 3.027 20 5 CGBDRO CC[N@H+]([C@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173225792 808541926 /nfs/dbraw/zinc/54/19/26/808541926.db2.gz GJJSTKIOEMLTNH-CYBMUJFWSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+](C)CCc1cccnc1 ZINC001173234038 808542450 /nfs/dbraw/zinc/54/24/50/808542450.db2.gz OVFCLTPMBXDDGF-CQSZACIVSA-N 1 0 299.374 3.095 20 5 CGBDRO CO[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232460 808542972 /nfs/dbraw/zinc/54/29/72/808542972.db2.gz GVBHFNVABYTPIB-BBRMVZONSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC12CC2 ZINC001173229943 808543113 /nfs/dbraw/zinc/54/31/13/808543113.db2.gz WKLSJHJRXOPVBA-GFCCVEGCSA-N 1 0 260.337 3.154 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH+]2CCC(CCF)CC2)cc1 ZINC001175183057 809302276 /nfs/dbraw/zinc/30/22/76/809302276.db2.gz FVSGODUSQOYFPZ-UHFFFAOYSA-N 1 0 296.342 3.045 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1CCOCC12CCCC2 ZINC001176966297 809771960 /nfs/dbraw/zinc/77/19/60/809771960.db2.gz WIGAJWZLRZFIGW-OAHLLOKOSA-N 1 0 290.363 3.034 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc(F)cc1[N+](=O)[O-] ZINC001186633296 810352893 /nfs/dbraw/zinc/35/28/93/810352893.db2.gz PVTVDRAEOVCKGB-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001186873344 810368398 /nfs/dbraw/zinc/36/83/98/810368398.db2.gz WILKGKMOEKLHBY-GXTWGEPZSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC001186873347 810368856 /nfs/dbraw/zinc/36/88/56/810368856.db2.gz WILKGKMOEKLHBY-OCCSQVGLSA-N 1 0 293.342 3.163 20 5 CGBDRO CC[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)[C@@H]1C ZINC001193607427 810918955 /nfs/dbraw/zinc/91/89/55/810918955.db2.gz UCQRQZQNOCFLQL-KOLCDFICSA-N 1 0 254.355 3.277 20 5 CGBDRO COc1cc(Nc2cccc([N+](=O)[O-])c2)cc(C)n1 ZINC001204440080 812638578 /nfs/dbraw/zinc/63/85/78/812638578.db2.gz QPFMADLXFIRDIJ-UHFFFAOYSA-N 1 0 259.265 3.050 20 5 CGBDRO Oc1cccc2cc3cccc(O)c3c(O[C@H]3CC[NH2+]C3)c12 ZINC001218183698 816119014 /nfs/dbraw/zinc/11/90/14/816119014.db2.gz XGCAPYHLLVJIAZ-ZDUSSCGKSA-N 1 0 295.338 3.145 20 5 CGBDRO O=[N+]([O-])c1ccc(O[C@@H]2C[C@H]3CC[NH2+][C@H]3C2)c2ccccc21 ZINC001218246318 816139549 /nfs/dbraw/zinc/13/95/49/816139549.db2.gz MCZJKOZYBLQMQI-JMSVASOKSA-N 1 0 298.342 3.267 20 5 CGBDRO C[C@@H]1CC[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)C[NH2+]1 ZINC001218391725 816187236 /nfs/dbraw/zinc/18/72/36/816187236.db2.gz GKYXYULCFUFLPX-VXGBXAGGSA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@@H]1CC[C@H](Oc2ccc3nc4ccccc4nc3c2)C[NH2+]1 ZINC001218400329 816193897 /nfs/dbraw/zinc/19/38/97/816193897.db2.gz DHHQYINQCNZVEK-OCCSQVGLSA-N 1 0 293.370 3.302 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(C)c1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218472106 816231238 /nfs/dbraw/zinc/23/12/38/816231238.db2.gz NDMWRWRNZLIHBG-ZDUSSCGKSA-N 1 0 278.352 3.121 20 5 CGBDRO CC1(C)C[C@@H](Oc2ccc([N+](=O)[O-])cc2Cl)CC[NH2+]1 ZINC001218475071 816233019 /nfs/dbraw/zinc/23/30/19/816233019.db2.gz JNTPQSOIZJXADF-JTQLQIEISA-N 1 0 284.743 3.158 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc([N+](=O)[O-])c2ccccc12 ZINC001218482323 816236639 /nfs/dbraw/zinc/23/66/39/816236639.db2.gz SVUUQXCTSFKJDM-BZNIZROVSA-N 1 0 286.331 3.125 20 5 CGBDRO CC[NH+](CC)C[C@H](C)OCc1ccc(C)c([N+](=O)[O-])c1 ZINC001223223939 816590586 /nfs/dbraw/zinc/59/05/86/816590586.db2.gz GVXDPOCQQKWCEJ-ZDUSSCGKSA-N 1 0 280.368 3.150 20 5 CGBDRO Cc1cccc(CO[C@@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223660603 816664704 /nfs/dbraw/zinc/66/47/04/816664704.db2.gz GLUHCQPSNJZCSA-OAHLLOKOSA-N 1 0 292.379 3.293 20 5 CGBDRO COc1ccc(OC(C)C)c(COCCC[N+](C)(C)C)c1 ZINC001224623725 816835105 /nfs/dbraw/zinc/83/51/05/816835105.db2.gz QBIOKMBHFOMDOR-UHFFFAOYSA-N 1 0 296.431 3.095 20 5 CGBDRO C[N@H+]1[C@@H]2CC[C@H]1C[C@H](Oc1cc(Cl)ccc1[N+](=O)[O-])C2 ZINC001225710169 817152140 /nfs/dbraw/zinc/15/21/40/817152140.db2.gz HPUJGQVZXWCZFR-ZSBIGDGJSA-N 1 0 296.754 3.252 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2cc(Cl)ccc2[N+](=O)[O-])C1 ZINC001225714126 817153091 /nfs/dbraw/zinc/15/30/91/817153091.db2.gz ZHTRCTRMLSLZKV-NSHDSACASA-N 1 0 284.743 3.111 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1cccc([N+](=O)[O-])c1Cl ZINC001225786303 817178588 /nfs/dbraw/zinc/17/85/88/817178588.db2.gz QOHMGILDEPMKFY-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO Cc1ccc(O[C@H](C)C[N+](C)(C)C)c(Br)c1 ZINC001225815481 817187200 /nfs/dbraw/zinc/18/72/00/817187200.db2.gz FHFOEYZNVKUYAP-LLVKDONJSA-N 1 0 287.221 3.231 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(OC(C)(C)C)cc1 ZINC001225975724 817236511 /nfs/dbraw/zinc/23/65/11/817236511.db2.gz UJXUHJNJHZTSTC-CYBMUJFWSA-N 1 0 266.405 3.337 20 5 CGBDRO CCc1c(C)sc2ncnc(O[C@@H](C)C[N+](C)(C)C)c12 ZINC001226471678 817366785 /nfs/dbraw/zinc/36/67/85/817366785.db2.gz PGTJTAWSPQDFCQ-JTQLQIEISA-N 1 0 294.444 3.036 20 5 CGBDRO C[N@@H+]1CC[C@H](Oc2ccc3c(c2)oc(=O)c2ccccc32)C1 ZINC001226511807 817380396 /nfs/dbraw/zinc/38/03/96/817380396.db2.gz JZOOETHTVZTBGZ-ZDUSSCGKSA-N 1 0 295.338 3.029 20 5 CGBDRO CC[NH+]1CCC(Oc2cc([N+](=O)[O-])ccc2Cl)CC1 ZINC001226810658 817472444 /nfs/dbraw/zinc/47/24/44/817472444.db2.gz PZHRGEHRAIBZNY-UHFFFAOYSA-N 1 0 284.743 3.111 20 5 CGBDRO CC(=O)c1c(Cl)cccc1O[C@H](C)C[N+](C)(C)C ZINC001227009455 817532896 /nfs/dbraw/zinc/53/28/96/817532896.db2.gz AFJGBBJYTOHLOH-SNVBAGLBSA-N 1 0 270.780 3.016 20 5 CGBDRO C/C=C/c1ccc(O[C@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001227409372 817641652 /nfs/dbraw/zinc/64/16/52/817641652.db2.gz HPDHBRLWGORDBU-SBDDDAINSA-N 1 0 264.389 3.202 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1ccc(O)cc1C(C)(C)C ZINC001227440786 817649477 /nfs/dbraw/zinc/64/94/77/817649477.db2.gz OMHYHKWYZYLPNN-LBPRGKRZSA-O 1 0 266.405 3.163 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)cc1-c1cc[nH]n1 ZINC001227618049 817684931 /nfs/dbraw/zinc/68/49/31/817684931.db2.gz UHYXDFLNPRWVAP-LLVKDONJSA-N 1 0 294.806 3.204 20 5 CGBDRO CC(=O)c1ccc(O[C@@H](C)C[N+](C)(C)C)cc1Cl ZINC001227905491 817750590 /nfs/dbraw/zinc/75/05/90/817750590.db2.gz AMXIYJYQAIZCAZ-JTQLQIEISA-N 1 0 270.780 3.016 20 5 CGBDRO C[N@@H+]1CCC[C@@H](Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001228002934 817780872 /nfs/dbraw/zinc/78/08/72/817780872.db2.gz SYBQATRSDLICET-SNVBAGLBSA-N 1 0 284.743 3.111 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC001228754383 817999370 /nfs/dbraw/zinc/99/93/70/817999370.db2.gz BICQLTBCYUXCFU-JTQLQIEISA-N 1 0 284.743 3.111 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC001228758933 818001091 /nfs/dbraw/zinc/00/10/91/818001091.db2.gz OETDLZCJIIMPSG-LBPRGKRZSA-N 1 0 298.770 3.500 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2ccnc3c2ccc2cccnc23)C1 ZINC001234086452 818776065 /nfs/dbraw/zinc/77/60/65/818776065.db2.gz GBFFVGXINHREED-AWEZNQCLSA-N 1 0 293.370 3.256 20 5 CGBDRO CC[N@@H+]1CCC[C@@H](Oc2cc(C)c([N+](=O)[O-])c(C)c2C)C1 ZINC001234870102 818940062 /nfs/dbraw/zinc/94/00/62/818940062.db2.gz FJSUHFQURNRNQS-CQSZACIVSA-N 1 0 292.379 3.383 20 5 CGBDRO CCOc1ccccc1[C@@H](CC(C)C)[NH2+]CC[N+](=O)[O-] ZINC001345066523 936799806 /nfs/dbraw/zinc/79/98/06/936799806.db2.gz TXEKKWVTTINTLR-CQSZACIVSA-N 1 0 280.368 3.039 20 5 CGBDRO C[C@@H]([NH2+]C1CC2(CC2(F)F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC001346870466 936864793 /nfs/dbraw/zinc/86/47/93/936864793.db2.gz YBPTZOAMIOABJV-NCZMNARYSA-N 1 0 297.305 3.015 20 5 CGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc(F)cc2[N+](=O)[O-])C12CCC2 ZINC001458491411 937465440 /nfs/dbraw/zinc/46/54/40/937465440.db2.gz QDOSDLKXCZCPDG-KBPBESRZSA-N 1 0 293.342 3.019 20 5 CGBDRO Cc1c(C)n(-c2cc([N+](=O)[O-])ccn2)c2ccc(C[NH3+])cc12 ZINC001155903322 931976425 /nfs/dbraw/zinc/97/64/25/931976425.db2.gz RHPRWERRGFPSNK-UHFFFAOYSA-N 1 0 296.330 3.009 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1OC1CCC([NH+](C)C)CC1 ZINC001228915327 932050612 /nfs/dbraw/zinc/05/06/12/932050612.db2.gz CMDICDHCPURSPA-UHFFFAOYSA-N 1 0 278.352 3.155 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001229881423 932497900 /nfs/dbraw/zinc/49/79/00/932497900.db2.gz WEWIQCLCNFNEHV-CQSZACIVSA-N 1 0 292.379 3.463 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](Oc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC001229964557 932511357 /nfs/dbraw/zinc/51/13/57/932511357.db2.gz SROPRZZNJFAJRL-NSHDSACASA-N 1 0 284.743 3.110 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+]C(C)(C)c1ccc([N+](=O)[O-])cc1)OC ZINC001462063947 937615741 /nfs/dbraw/zinc/61/57/41/937615741.db2.gz XQPTUCZRSVYUHK-WFASDCNBSA-N 1 0 294.395 3.481 20 5 CGBDRO Cc1c(Cl)cnc(O[C@@H](C)C[N+](C)(C)C)c1Cl ZINC001231066775 932670977 /nfs/dbraw/zinc/67/09/77/932670977.db2.gz GVCTVPIBBXILCB-QMMMGPOBSA-N 1 0 278.203 3.170 20 5 CGBDRO Nc1cc(CCCCNc2ccsc2[N+](=O)[O-])cc[nH+]1 ZINC001307219550 932779427 /nfs/dbraw/zinc/77/94/27/932779427.db2.gz SMBSZERXOSOPPN-UHFFFAOYSA-N 1 0 292.364 3.068 20 5 CGBDRO C[NH+](C)[C@@H]1C[C@H](Nc2cc(Cl)ccc2[N+](=O)[O-])C1(C)C ZINC001307150306 932922170 /nfs/dbraw/zinc/92/21/70/932922170.db2.gz WQVMYKRKGBLFKU-QWHCGFSZSA-N 1 0 297.786 3.389 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC001307633857 932979456 /nfs/dbraw/zinc/97/94/56/932979456.db2.gz PPSCVQNCKPGNPX-HEHGZKQESA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1c(C[N@H+]2C[C@H](C)[C@H](C)[C@H]2C)cccc1[N+](=O)[O-] ZINC001307850877 933010405 /nfs/dbraw/zinc/01/04/05/933010405.db2.gz AXLHSTRHTFMGRA-GMXVVIOVSA-N 1 0 262.353 3.380 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cccc1[N+](=O)[O-] ZINC001308443243 933111673 /nfs/dbraw/zinc/11/16/73/933111673.db2.gz JNLDZHQTDZQPLU-GJZGRUSLSA-N 1 0 274.364 3.429 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001308601543 933140580 /nfs/dbraw/zinc/14/05/80/933140580.db2.gz UHTKYROGZVRNEK-OKILXGFUSA-N 1 0 274.364 3.299 20 5 CGBDRO Cc1cc(N[C@@H]2CCCC[C@@H]2[NH+](C)C)c(F)cc1[N+](=O)[O-] ZINC001324027532 934449633 /nfs/dbraw/zinc/44/96/33/934449633.db2.gz VLASUGVWVHXEPC-OCCSQVGLSA-N 1 0 295.358 3.327 20 5 CGBDRO Cc1ccc(C[NH+]2CCC(CCF)CC2)cc1[N+](=O)[O-] ZINC001473699780 937818363 /nfs/dbraw/zinc/81/83/63/937818363.db2.gz FCGXJLVCTDHHPL-UHFFFAOYSA-N 1 0 280.343 3.475 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]Cc2cccn2C2CC2)cc1 ZINC001330528757 935292508 /nfs/dbraw/zinc/29/25/08/935292508.db2.gz OBBYLIFSCKTSCA-UHFFFAOYSA-N 1 0 271.320 3.021 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCCC(F)F ZINC001333150928 935514101 /nfs/dbraw/zinc/51/41/01/935514101.db2.gz UNNOZHOEEVGGPD-SECBINFHSA-N 1 0 290.285 3.300 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC001474186589 937843262 /nfs/dbraw/zinc/84/32/62/937843262.db2.gz JWVYZNSOVBGMEG-DZGCQCFKSA-N 1 0 274.364 3.490 20 5 CGBDRO C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001474336663 937852568 /nfs/dbraw/zinc/85/25/68/937852568.db2.gz CFZBAUZMHWJLNN-NFAWXSAZSA-N 1 0 274.364 3.463 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC[C@@H]2C=CCC2)cc1 ZINC001474693505 937875214 /nfs/dbraw/zinc/87/52/14/937875214.db2.gz NGUICIRFJFHCON-CQSZACIVSA-N 1 0 274.364 3.473 20 5 CGBDRO CC(C)c1ccc([C@@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC001559719050 938233450 /nfs/dbraw/zinc/23/34/50/938233450.db2.gz RVPCACZZQVQDBC-HNNXBMFYSA-N 1 0 262.353 3.224 20 5 CGBDRO CC(C)c1ccc([C@H]2CCC[N@@H+]2CC[N+](=O)[O-])cc1 ZINC001559719051 938233525 /nfs/dbraw/zinc/23/35/25/938233525.db2.gz RVPCACZZQVQDBC-OAHLLOKOSA-N 1 0 262.353 3.224 20 5 CGBDRO Cc1cc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)cs1 ZINC000294961028 199271728 /nfs/dbraw/zinc/27/17/28/199271728.db2.gz DXAKYHRQXYXAMU-UHFFFAOYSA-N 1 0 276.361 3.297 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CCC[C@H]1F ZINC000590196084 346835494 /nfs/dbraw/zinc/83/54/94/346835494.db2.gz YLENERSCSWZICV-RMKKPPKKSA-N 1 0 264.300 3.088 20 5 CGBDRO CC[C@@H]([NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423461692 529569336 /nfs/dbraw/zinc/56/93/36/529569336.db2.gz KDPLFJHMJUNCJX-NVXWUHKLSA-N 1 0 299.374 3.011 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)[C@H](O)C(C)C ZINC000414293384 529652446 /nfs/dbraw/zinc/65/24/46/529652446.db2.gz MLXMFUFQTCDZAN-TUKIKUTGSA-N 1 0 280.368 3.041 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000592134143 346965914 /nfs/dbraw/zinc/96/59/14/346965914.db2.gz PXBFRNSMQLARAG-QWHCGFSZSA-N 1 0 278.352 3.155 20 5 CGBDRO CC(C)O[C@@H]1CC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000592133927 346965928 /nfs/dbraw/zinc/96/59/28/346965928.db2.gz ACRFPEAGYBPRQF-IUODEOHRSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H]1CN(Cc2ccccc2[N+](=O)[O-])CC2(CCCC2)O1 ZINC000592187175 346970165 /nfs/dbraw/zinc/97/01/65/346970165.db2.gz HVPJIMVECHFUEB-ZDUSSCGKSA-N 1 0 290.363 3.128 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCS[C@H]1C ZINC000592380923 346981808 /nfs/dbraw/zinc/98/18/08/346981808.db2.gz VDXPIZDRFZKVFO-HSMZECECSA-N 1 0 292.404 3.482 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](CO)C[C@@H](C)CC)c1cccc([N+](=O)[O-])c1 ZINC000592398793 346984050 /nfs/dbraw/zinc/98/40/50/346984050.db2.gz UJSJQOXRZPQSCV-JGGQBBKZSA-N 1 0 294.395 3.433 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCS[C@@H]1C ZINC000592401598 346985378 /nfs/dbraw/zinc/98/53/78/346985378.db2.gz ZFMOPZRDCWPRFG-WDMOLILDSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000038079427 344954683 /nfs/dbraw/zinc/95/46/83/344954683.db2.gz ISFFPFGYKPBKAC-OLZOCXBDSA-N 1 0 278.352 3.142 20 5 CGBDRO CC1CC[NH+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000038393534 344955681 /nfs/dbraw/zinc/95/56/81/344955681.db2.gz DCVUMSZBRARLHO-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCc2cccs2)cc1 ZINC000035677622 344942821 /nfs/dbraw/zinc/94/28/21/344942821.db2.gz XTBXRSPVCWFTQE-UHFFFAOYSA-N 1 0 276.361 3.031 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H]1Cc2ccccc21 ZINC000037565689 344951185 /nfs/dbraw/zinc/95/11/85/344951185.db2.gz CCEARNKXGDAALW-AWEZNQCLSA-N 1 0 268.316 3.024 20 5 CGBDRO Cc1c(C[N@@H+]2CCc3ccccc3C2)cccc1[N+](=O)[O-] ZINC000051112584 345087222 /nfs/dbraw/zinc/08/72/22/345087222.db2.gz XWOIJGBXGZIYHM-UHFFFAOYSA-N 1 0 282.343 3.462 20 5 CGBDRO CC(C)[N@@H+]1CCC[C@@H](CNc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000069064174 345371623 /nfs/dbraw/zinc/37/16/23/345371623.db2.gz ZPQFTOVVXCECRQ-LBPRGKRZSA-N 1 0 295.358 3.266 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)CC(C)(C)O ZINC000295112412 199350026 /nfs/dbraw/zinc/35/00/26/199350026.db2.gz VGAPYTHBXKGMNL-CHWSQXEVSA-N 1 0 294.395 3.055 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CCC2CC2)cc1[N+](=O)[O-] ZINC000090118482 345783851 /nfs/dbraw/zinc/78/38/51/345783851.db2.gz AJIFXXVTHCFOCF-LLVKDONJSA-N 1 0 278.352 3.444 20 5 CGBDRO CC[C@H](CSC)[N@H+](C)Cc1csc([N+](=O)[O-])c1 ZINC000091097164 345804210 /nfs/dbraw/zinc/80/42/10/345804210.db2.gz NMGNNCHMYYETPB-SNVBAGLBSA-N 1 0 274.411 3.230 20 5 CGBDRO C[C@@H](CC(F)(F)F)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000123310658 346008564 /nfs/dbraw/zinc/00/85/64/346008564.db2.gz QGDGKRDRKZCFBV-VIFPVBQESA-N 1 0 276.258 3.068 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)c1ccccc1[N+](=O)[O-] ZINC000159961309 346169547 /nfs/dbraw/zinc/16/95/47/346169547.db2.gz CYVXSFIPNTVUFN-NWDGAFQWSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1cc(N[C@@H]2C[C@H]3CC[C@@H]2O3)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000272799244 346412278 /nfs/dbraw/zinc/41/22/78/346412278.db2.gz DMWUMYZUIWXMMF-LYRGGWFBSA-N 1 0 299.330 3.183 20 5 CGBDRO COC[C@H](CC(C)(C)C)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000593613873 347095478 /nfs/dbraw/zinc/09/54/78/347095478.db2.gz VNQRICCSADIYFR-ZDUSSCGKSA-N 1 0 280.368 3.136 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CC[C@@H](F)C1 ZINC000588231375 346756780 /nfs/dbraw/zinc/75/67/80/346756780.db2.gz SPGYMQKQGORMOG-BNOWGMLFSA-N 1 0 280.343 3.396 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCC2)CC1 ZINC000586783100 346734568 /nfs/dbraw/zinc/73/45/68/346734568.db2.gz XBJOZSGWWAUPMT-UHFFFAOYSA-N 1 0 290.363 3.370 20 5 CGBDRO Cc1cc(N2CCC[C@@H]3C[C@@H]32)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000588066847 346748180 /nfs/dbraw/zinc/74/81/80/346748180.db2.gz ZSERYZUNGGGRGM-ABAIWWIYSA-N 1 0 283.331 3.440 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H](C)COCC2CC2)cccc1[N+](=O)[O-] ZINC000593719766 347107680 /nfs/dbraw/zinc/10/76/80/347107680.db2.gz QZSFRHPWCRQHSK-YPMHNXCESA-N 1 0 292.379 3.369 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCC1(CO)CCC1 ZINC000593718385 347107889 /nfs/dbraw/zinc/10/78/89/347107889.db2.gz GAIXHRSPRTUCTD-CYBMUJFWSA-N 1 0 292.379 3.107 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccc([N+](=O)[O-])cc1)[C@H]1CCCCO1 ZINC000594042203 347143455 /nfs/dbraw/zinc/14/34/55/347143455.db2.gz ICEJATMGXOFKPJ-HZPDHXFCSA-N 1 0 292.379 3.075 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000594507386 347181519 /nfs/dbraw/zinc/18/15/19/347181519.db2.gz LCURQHXJSYMTQX-IIAWOOMASA-N 1 0 290.363 3.129 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCCO1 ZINC000594518627 347187408 /nfs/dbraw/zinc/18/74/08/347187408.db2.gz IKVUCQJFESBTCV-GOEBONIOSA-N 1 0 292.379 3.341 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CC1(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000594733101 347215137 /nfs/dbraw/zinc/21/51/37/347215137.db2.gz XNZUTLLSCBSUEW-SKDRFNHKSA-N 1 0 270.279 3.291 20 5 CGBDRO CC(C)(C)OCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000594977493 347246996 /nfs/dbraw/zinc/24/69/96/347246996.db2.gz RVGYPFGYFCVKPZ-RMKNXTFCSA-N 1 0 292.379 3.403 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCOC2(C)C)cccc1[N+](=O)[O-] ZINC000595109980 347284920 /nfs/dbraw/zinc/28/49/20/347284920.db2.gz XZOKOWFKDBGMPT-STQMWFEESA-N 1 0 292.379 3.369 20 5 CGBDRO CC[C@H]1CC[C@H](C)[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595407619 347299326 /nfs/dbraw/zinc/29/93/26/347299326.db2.gz CLAUWRBXQJTKKR-GWCFXTLKSA-N 1 0 266.316 3.497 20 5 CGBDRO CCC[C@H](C)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005309 347254373 /nfs/dbraw/zinc/25/43/73/347254373.db2.gz BVOJSLFAPJQNIH-WDEREUQCSA-N 1 0 266.341 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCOC(C)(C)C ZINC000595023789 347260473 /nfs/dbraw/zinc/26/04/73/347260473.db2.gz UCRJDKRLAQDLQJ-NSHDSACASA-N 1 0 296.367 3.069 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1CC1 ZINC000595024647 347260478 /nfs/dbraw/zinc/26/04/78/347260478.db2.gz BJQIGXBHJLQIER-JTQLQIEISA-N 1 0 264.325 3.054 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C(C)(C)C(F)F ZINC000595024009 347260549 /nfs/dbraw/zinc/26/05/49/347260549.db2.gz DSKCDGNFDHMXTC-JTQLQIEISA-N 1 0 286.322 3.407 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC[C@@H](C)O1)c1cccc([N+](=O)[O-])c1 ZINC000595079244 347279054 /nfs/dbraw/zinc/27/90/54/347279054.db2.gz IYTYNKPZSGPMAW-TYNCELHUSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C1CCC1 ZINC000595422431 347300925 /nfs/dbraw/zinc/30/09/25/347300925.db2.gz XVYRQLUOZGVSNT-BLLLJJGKSA-N 1 0 292.379 3.369 20 5 CGBDRO CCCN1CC[C@H]([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000595096894 347282788 /nfs/dbraw/zinc/28/27/88/347282788.db2.gz NSMPVXNAFZXTSH-KBPBESRZSA-N 1 0 291.395 3.038 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC1=CCCC1 ZINC000595097135 347283058 /nfs/dbraw/zinc/28/30/58/347283058.db2.gz PXVGOHHZGGEUTB-LLVKDONJSA-N 1 0 276.336 3.364 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000595602903 347325072 /nfs/dbraw/zinc/32/50/72/347325072.db2.gz YAMQEJTZAUUZMB-GFCCVEGCSA-N 1 0 293.367 3.044 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000595688500 347337290 /nfs/dbraw/zinc/33/72/90/347337290.db2.gz IKQPCTODCITCEQ-VBNZEHGJSA-N 1 0 290.363 3.014 20 5 CGBDRO CCCC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C1CCC1 ZINC000595429886 347302443 /nfs/dbraw/zinc/30/24/43/347302443.db2.gz HXOSVVHMNOJMAG-GFCCVEGCSA-N 1 0 281.356 3.340 20 5 CGBDRO CCS[C@H]1CCCC[C@@H]1[NH2+]Cc1onc(C)c1[N+](=O)[O-] ZINC000595446052 347304486 /nfs/dbraw/zinc/30/44/86/347304486.db2.gz BJQVKXMNQHJIHX-JQWIXIFHSA-N 1 0 299.396 3.045 20 5 CGBDRO CC(C)CC1([NH2+]CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000595831015 347361428 /nfs/dbraw/zinc/36/14/28/347361428.db2.gz JZHDGFYAXNTDDX-UHFFFAOYSA-N 1 0 278.352 3.142 20 5 CGBDRO CC[C@@H]1CCC[C@H](C)[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595867035 347369162 /nfs/dbraw/zinc/36/91/62/347369162.db2.gz JRQVPXFCTJHVEB-GXSJLCMTSA-N 1 0 267.329 3.044 20 5 CGBDRO Cc1ccncc1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000128508858 187374822 /nfs/dbraw/zinc/37/48/22/187374822.db2.gz OBYHLVXWRHFNGJ-ZDUSSCGKSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C/C[NH2+]CC[C@@H]1CC1(F)F ZINC000598645993 347675141 /nfs/dbraw/zinc/67/51/41/347675141.db2.gz BKEKDKQOOJBCEF-OGOUPESXSA-N 1 0 282.290 3.243 20 5 CGBDRO CCC[C@H](C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OCC ZINC000598989627 347704444 /nfs/dbraw/zinc/70/44/44/347704444.db2.gz OOTAHHAQUAGFLB-JOZWUWCOSA-N 1 0 292.379 3.403 20 5 CGBDRO COCCC1CC[NH+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000599060457 347712636 /nfs/dbraw/zinc/71/26/36/347712636.db2.gz WXYGXKZFUNUFFZ-ZDUSSCGKSA-N 1 0 292.379 3.404 20 5 CGBDRO C[C@@H]([NH2+]Cc1ccccc1[N+](=O)[O-])C1CC(F)(F)C1 ZINC000600123494 347781901 /nfs/dbraw/zinc/78/19/01/347781901.db2.gz LGCUDWQEQLPBQW-SECBINFHSA-N 1 0 270.279 3.118 20 5 CGBDRO CCO[C@@H](C[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])C1CC1 ZINC000599354587 347738837 /nfs/dbraw/zinc/73/88/37/347738837.db2.gz QKUUBRUWMQJNSL-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@H]1Cc2c(cccc2-c2ccc([N+](=O)[O-])nc2)C[NH2+]1 ZINC000600788364 347835616 /nfs/dbraw/zinc/83/56/16/347835616.db2.gz INRNRLRBQNJFHJ-ZDUSSCGKSA-N 1 0 283.331 3.081 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@]23C[C@@H]2CCCC3)c(F)c1 ZINC000601148864 347875076 /nfs/dbraw/zinc/87/50/76/347875076.db2.gz HATOGLLMMNUSPS-FZMZJTMJSA-N 1 0 264.300 3.156 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2cccc(C)c2[N+](=O)[O-])CC1 ZINC000601229754 347883000 /nfs/dbraw/zinc/88/30/00/347883000.db2.gz ZRDVWRXZVDRRIX-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2c(F)cccc2[N+](=O)[O-])CC1 ZINC000601229611 347883083 /nfs/dbraw/zinc/88/30/83/347883083.db2.gz VHSYETXYVBBFBO-UHFFFAOYSA-N 1 0 295.358 3.045 20 5 CGBDRO CCC1([NH+](C)C)CCN(c2c(C)cccc2[N+](=O)[O-])CC1 ZINC000601229484 347883194 /nfs/dbraw/zinc/88/31/94/347883194.db2.gz REBAMAWCCORABU-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+][C@H]1CCCc2ncccc21 ZINC000601267407 347886603 /nfs/dbraw/zinc/88/66/03/347886603.db2.gz XMDQGKQYTUDEMO-INIZCTEOSA-N 1 0 297.358 3.200 20 5 CGBDRO CCC[C@H](CCO)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000601289606 347889287 /nfs/dbraw/zinc/88/92/87/347889287.db2.gz PXTYDVPPRHTBAM-CHWSQXEVSA-N 1 0 280.368 3.105 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cccc1[N+](=O)[O-] ZINC000601299933 347890010 /nfs/dbraw/zinc/89/00/10/347890010.db2.gz WCTAFRCCTAQCDT-QVSJOPQTSA-N 1 0 278.352 3.120 20 5 CGBDRO CC(C)[N@H+](CCC[C@@H]1CCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439681 347957850 /nfs/dbraw/zinc/95/78/50/347957850.db2.gz KYFSFBRROZIKGY-MRXNPFEDSA-N 1 0 292.379 3.374 20 5 CGBDRO CC(C)[N@H+](CCC[C@H]1CCO1)Cc1ccc([N+](=O)[O-])cc1 ZINC000602439680 347957964 /nfs/dbraw/zinc/95/79/64/347957964.db2.gz KYFSFBRROZIKGY-INIZCTEOSA-N 1 0 292.379 3.374 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CC3(C4CC4)CC3)nc2c1 ZINC000602582547 347987979 /nfs/dbraw/zinc/98/79/79/347987979.db2.gz NKAJOGKDWHCONK-UHFFFAOYSA-N 1 0 287.319 3.016 20 5 CGBDRO COc1cccc(C)c1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000602586315 347989725 /nfs/dbraw/zinc/98/97/25/347989725.db2.gz PQYUSNZSOHGUNZ-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2[C@H]3Cc4ccccc4[C@@H]23)cc1 ZINC000602662944 348003410 /nfs/dbraw/zinc/00/34/10/348003410.db2.gz OOMBOMKZUQXVMR-RCCFBDPRSA-N 1 0 294.354 3.065 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCC2(F)CCC2)cc1 ZINC000602664601 348004339 /nfs/dbraw/zinc/00/43/39/348004339.db2.gz HCUQXCZDRLYFSN-UHFFFAOYSA-N 1 0 266.316 3.009 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(CCF)CC2)cc1 ZINC000602735254 348021633 /nfs/dbraw/zinc/02/16/33/348021633.db2.gz VHVCMLPARFTWJH-UHFFFAOYSA-N 1 0 266.316 3.166 20 5 CGBDRO CSC1CC[NH+]([C@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000602921236 348044238 /nfs/dbraw/zinc/04/42/38/348044238.db2.gz VLYFMRKGMJTLEM-LLVKDONJSA-N 1 0 280.393 3.483 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000609417701 348343811 /nfs/dbraw/zinc/34/38/11/348343811.db2.gz KRMRYTTYDAQLEN-CHWSQXEVSA-N 1 0 278.352 3.237 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000610215397 348367718 /nfs/dbraw/zinc/36/77/18/348367718.db2.gz PBDAXBMYGNDUGJ-ZIAGYGMSSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1sccc1NC1CC[NH+](C2CCCC2)CC1 ZINC000610511345 348386855 /nfs/dbraw/zinc/38/68/55/348386855.db2.gz QSFNAGPTEIPUNY-UHFFFAOYSA-N 1 0 295.408 3.475 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000609964917 348359578 /nfs/dbraw/zinc/35/95/78/348359578.db2.gz OLZUSIYXBJBUEF-UHFFFAOYSA-N 1 0 295.408 3.111 20 5 CGBDRO Cc1ccc(C[NH2+]C[C@@H](C)c2ccncc2)cc1[N+](=O)[O-] ZINC000610517702 348387556 /nfs/dbraw/zinc/38/75/56/348387556.db2.gz HTIJDABEVDJIAA-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC[C@@H]3C3CC3)nc2c1 ZINC000610581335 348391299 /nfs/dbraw/zinc/39/12/99/348391299.db2.gz APUSMMZHAPDFRN-CYBMUJFWSA-N 1 0 287.319 3.110 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC(F)(F)C1 ZINC000610787800 348403431 /nfs/dbraw/zinc/40/34/31/348403431.db2.gz RSODYTYQKBITSK-KTLBGCOUSA-N 1 0 282.290 3.385 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1[N+](=O)[O-] ZINC000611268550 348433000 /nfs/dbraw/zinc/43/30/00/348433000.db2.gz MWLCVQFCPRRZDR-CQSZACIVSA-N 1 0 260.337 3.278 20 5 CGBDRO CCC[C@@H]([NH2+][C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337517 348438674 /nfs/dbraw/zinc/43/86/74/348438674.db2.gz XLZOETFORGAPQV-GDBMZVCRSA-N 1 0 292.379 3.187 20 5 CGBDRO CCO[C@H]1CCC[N@@H+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)C1 ZINC000611516482 348457997 /nfs/dbraw/zinc/45/79/97/348457997.db2.gz UKASTXCLTOTHLC-ZFWWWQNUSA-N 1 0 292.379 3.465 20 5 CGBDRO Cc1occc1CNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000611921606 348480589 /nfs/dbraw/zinc/48/05/89/348480589.db2.gz LRXCGVVFABAAHH-UHFFFAOYSA-N 1 0 297.314 3.387 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000615942287 348777040 /nfs/dbraw/zinc/77/70/40/348777040.db2.gz WCOOEZYOMJYEQN-LBPRGKRZSA-N 1 0 295.770 3.144 20 5 CGBDRO CO[C@H](C[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1)C1CC1 ZINC000339528227 215230928 /nfs/dbraw/zinc/23/09/28/215230928.db2.gz HHWQJEWSUDHWQW-MRXNPFEDSA-N 1 0 292.379 3.233 20 5 CGBDRO O=[N+]([O-])c1cccc(CNc2cnc3c(c2)CCCC3)c1 ZINC000359820981 233380165 /nfs/dbraw/zinc/38/01/65/233380165.db2.gz NZCJFAFDXCDTEL-UHFFFAOYSA-N 1 0 283.331 3.481 20 5 CGBDRO CCC[NH+]1CCC(Nc2cccc(F)c2[N+](=O)[O-])CC1 ZINC000048804612 137904887 /nfs/dbraw/zinc/90/48/87/137904887.db2.gz BFIVCUQANUKYLK-UHFFFAOYSA-N 1 0 281.331 3.020 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000271568783 191219012 /nfs/dbraw/zinc/21/90/12/191219012.db2.gz YFKHWWWRZQZHEK-OCCSQVGLSA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1ccc(C[NH2+]CC2CCSCC2)cc1[N+](=O)[O-] ZINC000134607068 187763369 /nfs/dbraw/zinc/76/33/69/187763369.db2.gz LNUWJSCDWNWAFJ-UHFFFAOYSA-N 1 0 280.393 3.136 20 5 CGBDRO O=[N+]([O-])c1cc(CN2CCC[C@H]2c2ccncc2)cs1 ZINC000153853857 188107836 /nfs/dbraw/zinc/10/78/36/188107836.db2.gz YHEWKWVPNQMVBD-ZDUSSCGKSA-N 1 0 289.360 3.388 20 5 CGBDRO C[C@H]([NH2+]CC1(C2CC2)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000155181828 188188417 /nfs/dbraw/zinc/18/84/17/188188417.db2.gz WUXBBUNQVJKGNB-NSHDSACASA-N 1 0 260.337 3.436 20 5 CGBDRO CCC(CC)(CCO)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000155369841 188202303 /nfs/dbraw/zinc/20/23/03/188202303.db2.gz FFKGMUQGVUZYCR-ZDUSSCGKSA-N 1 0 294.395 3.434 20 5 CGBDRO CC(C)[C@@H](O)C1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271884078 191387469 /nfs/dbraw/zinc/38/74/69/191387469.db2.gz QITCIYKISYHYBU-SWLSCSKDSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@@H]([NH2+]CCC(C)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000294258016 198973290 /nfs/dbraw/zinc/97/32/90/198973290.db2.gz QOZOSBGTERYVLP-SECBINFHSA-N 1 0 258.268 3.291 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000426475636 236297967 /nfs/dbraw/zinc/29/79/67/236297967.db2.gz YSAIHKBBWATIDZ-GWCFXTLKSA-N 1 0 264.300 3.108 20 5 CGBDRO C[C@@H]1C[C@@H](C)C[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000176981046 189018753 /nfs/dbraw/zinc/01/87/53/189018753.db2.gz VOPDFQRGJWTLSO-GHMZBOCLSA-N 1 0 289.335 3.214 20 5 CGBDRO C[C@H]([NH2+]CCSC(F)(F)F)c1ccc([N+](=O)[O-])cc1 ZINC000178419763 189114826 /nfs/dbraw/zinc/11/48/26/189114826.db2.gz SYPYRWWFDOEMHJ-QMMMGPOBSA-N 1 0 294.298 3.498 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](C)C2CC2)cc1[N+](=O)[O-] ZINC000179394112 189191379 /nfs/dbraw/zinc/19/13/79/189191379.db2.gz CWIGAKRZOCJVKK-GHMZBOCLSA-N 1 0 278.352 3.443 20 5 CGBDRO COC1(C)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000342178263 216247665 /nfs/dbraw/zinc/24/76/65/216247665.db2.gz MJPZLHJQKGSPQF-GFCCVEGCSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCC[N@H+]1CCC[C@H](C)C1 ZINC000301518795 201043811 /nfs/dbraw/zinc/04/38/11/201043811.db2.gz KNOBERLQJCBSRD-LBPRGKRZSA-N 1 0 277.368 3.047 20 5 CGBDRO C[NH+](C)[C@@H]1CCC[C@@H](Nc2cccc(F)c2[N+](=O)[O-])C1 ZINC000301594029 201086092 /nfs/dbraw/zinc/08/60/92/201086092.db2.gz RJLRVRCVFQGIMR-GHMZBOCLSA-N 1 0 281.331 3.019 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000182763309 189334443 /nfs/dbraw/zinc/33/44/43/189334443.db2.gz QMSQWLGHHYNQAQ-SWLSCSKDSA-N 1 0 278.352 3.205 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)c1cccs1 ZINC000182561973 189327751 /nfs/dbraw/zinc/32/77/51/189327751.db2.gz SNNIDTGZSDEIFR-ZWNOBZJWSA-N 1 0 292.360 3.041 20 5 CGBDRO Cc1cc(N[C@H](C)C(C)(C)C[NH+](C)C)ccc1[N+](=O)[O-] ZINC000301634946 201108478 /nfs/dbraw/zinc/10/84/78/201108478.db2.gz KXABHNQLYKASJI-GFCCVEGCSA-N 1 0 279.384 3.291 20 5 CGBDRO Cc1nc(NCCC[NH2+]C2CCCCC2)ccc1[N+](=O)[O-] ZINC000301649850 201114095 /nfs/dbraw/zinc/11/40/95/201114095.db2.gz PMHGEBPDQKMBDB-UHFFFAOYSA-N 1 0 292.383 3.023 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CC2CCCC2)n1 ZINC000447551403 238886975 /nfs/dbraw/zinc/88/69/75/238886975.db2.gz QFALEADTYFTFOY-KBPBESRZSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1(C(F)F)CC1 ZINC000449293286 239296231 /nfs/dbraw/zinc/29/62/31/239296231.db2.gz GTLTUIOHIITZDG-JTQLQIEISA-N 1 0 284.306 3.161 20 5 CGBDRO CO[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])C[C@@H]1C ZINC000451539070 240322314 /nfs/dbraw/zinc/32/23/14/240322314.db2.gz DZTBLBDUYRDECM-SLEUVZQESA-N 1 0 278.352 3.013 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CCC1CC(F)(F)C1 ZINC000453588673 240965016 /nfs/dbraw/zinc/96/50/16/240965016.db2.gz LMBIBEXAODQJMF-UHFFFAOYSA-N 1 0 284.306 3.428 20 5 CGBDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1[N+](=O)[O-] ZINC000459748101 242207419 /nfs/dbraw/zinc/20/74/19/242207419.db2.gz GJMBEUKWIDBHDP-RDBSUJKOSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2[N+](=O)[O-])[C@@H]1C ZINC000481190438 243182594 /nfs/dbraw/zinc/18/25/94/243182594.db2.gz OQLJJLVJXNRRJW-MGPQQGTHSA-N 1 0 292.379 3.388 20 5 CGBDRO CO[C@]1(C)C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000483874480 243301436 /nfs/dbraw/zinc/30/14/36/243301436.db2.gz VNHDFZGKIDHADP-HZUKXOBISA-N 1 0 292.379 3.449 20 5 CGBDRO Cc1cccc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000037562605 369089180 /nfs/dbraw/zinc/08/91/80/369089180.db2.gz MMNDLYQPMADMBT-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO COc1cccc([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000037668294 369099060 /nfs/dbraw/zinc/09/90/60/369099060.db2.gz VBOFOCRFODMAFI-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000037010562 369051197 /nfs/dbraw/zinc/05/11/97/369051197.db2.gz PTPKLKJIEXZCMB-CQDKDKBSSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000330734046 203168153 /nfs/dbraw/zinc/16/81/53/203168153.db2.gz UJNNCZOBFMMNJL-HIFRSBDPSA-N 1 0 292.379 3.465 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)s1 ZINC000048068631 369335636 /nfs/dbraw/zinc/33/56/36/369335636.db2.gz NIIQLFQLCBGOPP-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO Cc1cc(N[C@H](C)C[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000048336260 369342871 /nfs/dbraw/zinc/34/28/71/369342871.db2.gz FRKUWZZGKFRTBB-CYBMUJFWSA-N 1 0 277.368 3.190 20 5 CGBDRO CCC[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc([N+](=O)[O-])c1 ZINC000049553717 369409628 /nfs/dbraw/zinc/40/96/28/369409628.db2.gz IILYKMLIQFPNSO-XJKSGUPXSA-N 1 0 293.411 3.366 20 5 CGBDRO CCC[C@H](CC)[NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000050404712 369438386 /nfs/dbraw/zinc/43/83/86/369438386.db2.gz HRCCESXUGCSIPF-LBPRGKRZSA-N 1 0 266.341 3.272 20 5 CGBDRO CC(C)OC[C@@H](C)[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000501465047 244611816 /nfs/dbraw/zinc/61/18/16/244611816.db2.gz CCYJVCKJGZCAHH-CQSZACIVSA-N 1 0 294.395 3.321 20 5 CGBDRO CC(C)[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1CC1 ZINC000276358836 193298721 /nfs/dbraw/zinc/29/87/21/193298721.db2.gz YDLMINUZQVNAQN-UHFFFAOYSA-N 1 0 252.289 3.107 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNc1ccc(F)cc1[N+](=O)[O-] ZINC000060991776 369594108 /nfs/dbraw/zinc/59/41/08/369594108.db2.gz YOAKWXSONYUWJB-LBPRGKRZSA-N 1 0 295.358 3.410 20 5 CGBDRO CC(C)OCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000064350204 369653547 /nfs/dbraw/zinc/65/35/47/369653547.db2.gz NYNFQAAALJGDCT-UHFFFAOYSA-N 1 0 280.368 3.230 20 5 CGBDRO CCC(CC)[N@H+](CCOC)Cc1c(F)cccc1[N+](=O)[O-] ZINC000103482362 370331122 /nfs/dbraw/zinc/33/11/22/370331122.db2.gz DJWCSZQBWDDKDK-UHFFFAOYSA-N 1 0 298.358 3.371 20 5 CGBDRO CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C(C)(C)C ZINC000343990431 217006069 /nfs/dbraw/zinc/00/60/69/217006069.db2.gz SXJHPKCBWXQFFH-OAHLLOKOSA-N 1 0 294.395 3.212 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000343993440 217008648 /nfs/dbraw/zinc/00/86/48/217008648.db2.gz ZUFBZXKSFGPTBJ-SGMGOOAPSA-N 1 0 280.368 3.043 20 5 CGBDRO CS[C@H]1CCC[C@H]([NH2+]Cc2cccc([N+](=O)[O-])c2)C1 ZINC000117394316 370590233 /nfs/dbraw/zinc/59/02/33/370590233.db2.gz KMHDEDYUBSUPQJ-JSGCOSHPSA-N 1 0 280.393 3.359 20 5 CGBDRO CC[NH+](CC)CCC[C@@H](C)Nc1ccc([N+](=O)[O-])c(C)n1 ZINC000132436922 371175057 /nfs/dbraw/zinc/17/50/57/371175057.db2.gz GRWQEWUURZYYNF-GFCCVEGCSA-N 1 0 294.399 3.221 20 5 CGBDRO Cc1ccc([C@H](C)N[C@H](C)c2ncc[nH]2)cc1[N+](=O)[O-] ZINC000139029186 371506246 /nfs/dbraw/zinc/50/62/46/371506246.db2.gz GNDLIFBAONYGRM-WDEREUQCSA-N 1 0 274.324 3.038 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@H](C3CC3)C2)cs1 ZINC000344034202 217019654 /nfs/dbraw/zinc/01/96/54/217019654.db2.gz GWNLFPPTVKGFFF-LBPRGKRZSA-N 1 0 266.366 3.278 20 5 CGBDRO C[NH+](C)[C@@H](CNc1c(F)cccc1[N+](=O)[O-])c1ccco1 ZINC000287076003 371599215 /nfs/dbraw/zinc/59/92/15/371599215.db2.gz TUZQMNCYMTVPRU-LBPRGKRZSA-N 1 0 293.298 3.042 20 5 CGBDRO CC(C)OC[C@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000337324171 214007035 /nfs/dbraw/zinc/00/70/35/214007035.db2.gz AYRSJZCMCKVSII-NWDGAFQWSA-N 1 0 266.341 3.059 20 5 CGBDRO C[NH+](C)CCSCc1ccc(Cl)cc1[N+](=O)[O-] ZINC000157791048 372037577 /nfs/dbraw/zinc/03/75/77/372037577.db2.gz OVKXQFAJRJAHEI-UHFFFAOYSA-N 1 0 274.773 3.043 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CC23CC3)c2cc([N+](=O)[O-])ccc21 ZINC000424333973 372083202 /nfs/dbraw/zinc/08/32/02/372083202.db2.gz YETREKFAAWZLJQ-ZIAGYGMSSA-N 1 0 272.348 3.459 20 5 CGBDRO CCOC1(C[NH2+]Cc2csc([N+](=O)[O-])c2)CCCC1 ZINC000292954264 372259482 /nfs/dbraw/zinc/25/94/82/372259482.db2.gz KVLUGRVCGFNRJT-UHFFFAOYSA-N 1 0 284.381 3.095 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)cn1 ZINC000161576179 372338320 /nfs/dbraw/zinc/33/83/20/372338320.db2.gz AYBVSGQCOPFHDI-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@H]1C[C@@H](Nc2c(Cl)cccc2[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000432321985 372558141 /nfs/dbraw/zinc/55/81/41/372558141.db2.gz JQKIRIVSPAAMEI-VHSXEESVSA-N 1 0 295.770 3.285 20 5 CGBDRO CC(F)(F)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000294239912 372624012 /nfs/dbraw/zinc/62/40/12/372624012.db2.gz PCOVBGUHKQIZKE-UHFFFAOYSA-N 1 0 278.686 3.383 20 5 CGBDRO Cc1csc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)c1 ZINC000344605481 217245655 /nfs/dbraw/zinc/24/56/55/217245655.db2.gz CFPYXPLIYKSKLJ-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO Cc1csc(C[NH2+]Cc2csc([N+](=O)[O-])c2)c1 ZINC000344618601 217250974 /nfs/dbraw/zinc/25/09/74/217250974.db2.gz VZWCYIXDVKCDGB-UHFFFAOYSA-N 1 0 268.363 3.316 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1nccs1 ZINC000344789376 217313149 /nfs/dbraw/zinc/31/31/49/217313149.db2.gz GXVVCSLPSGXHJJ-XFFZJAGNSA-N 1 0 289.360 3.244 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[C@H]1CCOC1 ZINC000344820015 217321551 /nfs/dbraw/zinc/32/15/51/217321551.db2.gz WJDNPPUFWSIMTH-SSUFTNFISA-N 1 0 290.363 3.014 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](C)CCCO)c1cccc([N+](=O)[O-])c1 ZINC000296254630 373069861 /nfs/dbraw/zinc/06/98/61/373069861.db2.gz CZKDZKMTDYAZPU-CJNGLKHVSA-N 1 0 294.395 3.434 20 5 CGBDRO CO[C@H](C)CC[NH2+]C/C(C)=C/c1cccc([N+](=O)[O-])c1 ZINC000344860381 217335818 /nfs/dbraw/zinc/33/58/18/217335818.db2.gz ISCMNAKYLMSXRT-CNELAYHGSA-N 1 0 278.352 3.013 20 5 CGBDRO C[C@H](NCC[C@H]1CCCC[N@@H+]1C)c1ccc([N+](=O)[O-])cc1 ZINC000296751564 373235991 /nfs/dbraw/zinc/23/59/91/373235991.db2.gz PSCSOWQCUYQCFK-DZGCQCFKSA-N 1 0 291.395 3.120 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000444771998 373267647 /nfs/dbraw/zinc/26/76/47/373267647.db2.gz LQQSPLMYENWNCR-AWEZNQCLSA-N 1 0 292.379 3.471 20 5 CGBDRO C[N@@H+]1CCN(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2C1 ZINC000353585961 220174647 /nfs/dbraw/zinc/17/46/47/220174647.db2.gz AXERBSQNTMHUAI-UHFFFAOYSA-N 1 0 297.358 3.047 20 5 CGBDRO CCC(C)(C)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000447596979 373461878 /nfs/dbraw/zinc/46/18/78/373461878.db2.gz RJGRRNZLYSTUOM-CHWSQXEVSA-N 1 0 294.399 3.301 20 5 CGBDRO CCOC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000176341405 373584087 /nfs/dbraw/zinc/58/40/87/373584087.db2.gz GMRVAWDVTXGWCP-LLVKDONJSA-N 1 0 298.770 3.107 20 5 CGBDRO Cc1cc(NCCC[NH+]2CCCCC2)ccc1[N+](=O)[O-] ZINC000301108156 373663082 /nfs/dbraw/zinc/66/30/82/373663082.db2.gz RVGYCLKVQHLMEB-UHFFFAOYSA-N 1 0 277.368 3.191 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@H](C)C1)Nc1ccc([N+](=O)[O-])cc1 ZINC000301123419 373670322 /nfs/dbraw/zinc/67/03/22/373670322.db2.gz ZQWJBYDGPIZFEK-STQMWFEESA-N 1 0 277.368 3.127 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH+]2C[C@@H]3CCCC[C@H]3C2)cs1 ZINC000177514395 373689050 /nfs/dbraw/zinc/68/90/50/373689050.db2.gz BHHNBDKLMLWOFG-RYUDHWBXSA-N 1 0 266.366 3.278 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1NC1CC[NH+](C(C)C)CC1 ZINC000301202253 373690068 /nfs/dbraw/zinc/69/00/68/373690068.db2.gz WZIZTJOUYXNORQ-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@H]1C1CC1 ZINC000449425927 373698736 /nfs/dbraw/zinc/69/87/36/373698736.db2.gz NOLFGNCPTLZWHT-MFBWXBCUSA-N 1 0 258.321 3.092 20 5 CGBDRO CC[C@@](C)(C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-])OC ZINC000449471341 373755533 /nfs/dbraw/zinc/75/55/33/373755533.db2.gz CDQRSKNEYYUVDP-HEWZJLJBSA-N 1 0 278.352 3.013 20 5 CGBDRO CC[C@@H](CNc1c(F)cc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000301760627 373803512 /nfs/dbraw/zinc/80/35/12/373803512.db2.gz BJCSQWIIDQEEFO-JTQLQIEISA-N 1 0 299.321 3.159 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000449496841 373792591 /nfs/dbraw/zinc/79/25/91/373792591.db2.gz HSNQRMQSMQBJJO-HNNXBMFYSA-N 1 0 292.379 3.150 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000449754966 373882648 /nfs/dbraw/zinc/88/26/48/373882648.db2.gz LDUHBGQIPOTZNS-CSVMTYNTSA-N 1 0 290.363 3.155 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccccc1[N+](=O)[O-])C1(O)CCCC1 ZINC000449734745 373861072 /nfs/dbraw/zinc/86/10/72/373861072.db2.gz DCTAPVUSLQIWOR-UHFFFAOYSA-N 1 0 292.379 3.016 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c(Cl)c1 ZINC000449739701 373869126 /nfs/dbraw/zinc/86/91/26/373869126.db2.gz CCXUAFBAEFRXFB-AAEUAGOBSA-N 1 0 280.755 3.384 20 5 CGBDRO CC(C)[C@@H]1C[N@H+](C)CCN1c1ccc(Cl)cc1[N+](=O)[O-] ZINC000302781027 373960318 /nfs/dbraw/zinc/96/03/18/373960318.db2.gz RPGVXSCDXVLVQV-AWEZNQCLSA-N 1 0 297.786 3.025 20 5 CGBDRO C[C@H]1CC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000310197209 374210596 /nfs/dbraw/zinc/21/05/96/374210596.db2.gz RIKAKMDWEBWGSJ-UFBFGSQYSA-N 1 0 254.717 3.136 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452113476 374238130 /nfs/dbraw/zinc/23/81/30/374238130.db2.gz CAGFIQBYGBKVRI-UONOGXRCSA-N 1 0 292.379 3.059 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000182842920 374334538 /nfs/dbraw/zinc/33/45/38/374334538.db2.gz PLCOJWHFAJPHQK-CJNGLKHVSA-N 1 0 290.363 3.077 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000183038694 374359925 /nfs/dbraw/zinc/35/99/25/374359925.db2.gz XRYXKPDTPGPCNA-VXGBXAGGSA-N 1 0 296.367 3.006 20 5 CGBDRO C[C@H]([NH2+]Cc1cc(O)cc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC000184140051 374496379 /nfs/dbraw/zinc/49/63/79/374496379.db2.gz CABNBKPIVAFVJH-JTQLQIEISA-N 1 0 290.294 3.290 20 5 CGBDRO CC[C@@H]1C[C@@H](C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CCO1 ZINC000331122933 374506504 /nfs/dbraw/zinc/50/65/04/374506504.db2.gz XZVTZMXRVBKQKM-DZGCQCFKSA-N 1 0 292.379 3.198 20 5 CGBDRO CCOc1cc(C[N@H+]2[C@H](C)CC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000331187506 374512923 /nfs/dbraw/zinc/51/29/23/374512923.db2.gz UDPXBDJEBZWVPR-TXEJJXNPSA-N 1 0 278.352 3.366 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000464782277 374899949 /nfs/dbraw/zinc/89/99/49/374899949.db2.gz WLWAMWVKNZVYQS-MRXNPFEDSA-N 1 0 292.379 3.486 20 5 CGBDRO C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)C1(C)CCCC1 ZINC000489890946 375319953 /nfs/dbraw/zinc/31/99/53/375319953.db2.gz ORRHNOPCXWVBPL-UHFFFAOYSA-N 1 0 288.351 3.236 20 5 CGBDRO CC1(C)CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000497387671 375596068 /nfs/dbraw/zinc/59/60/68/375596068.db2.gz JAEBYOANKIRILQ-UHFFFAOYSA-N 1 0 278.352 3.096 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCCOC(F)F)cc1[N+](=O)[O-] ZINC000194043459 375954822 /nfs/dbraw/zinc/95/48/22/375954822.db2.gz PRBADYSHJKTJTC-JTQLQIEISA-N 1 0 288.294 3.183 20 5 CGBDRO CC(C)[N@@H+]1CC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000227889168 376417258 /nfs/dbraw/zinc/41/72/58/376417258.db2.gz AGKLVNONRBBYBC-SNVBAGLBSA-N 1 0 299.321 3.015 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCSC2)c(Cl)c1 ZINC000226387670 376356257 /nfs/dbraw/zinc/35/62/57/376356257.db2.gz BXZCETIQXLIEPH-VIFPVBQESA-N 1 0 286.784 3.091 20 5 CGBDRO C[N@H+](CCCc1ccncc1)CCc1cccc([N+](=O)[O-])c1 ZINC000338380550 376356675 /nfs/dbraw/zinc/35/66/75/376356675.db2.gz KQMJNIQXGUPJRB-UHFFFAOYSA-N 1 0 299.374 3.097 20 5 CGBDRO CC1(C)SC[C@H]1[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000338477770 376388014 /nfs/dbraw/zinc/38/80/14/376388014.db2.gz QDOVJPUVQOZFEB-VUDGCMKMSA-N 1 0 278.377 3.092 20 5 CGBDRO CC[C@H](C)[N@H+](C)CCNc1ccc(C)cc1[N+](=O)[O-] ZINC000229327761 376462472 /nfs/dbraw/zinc/46/24/72/376462472.db2.gz PGLWEHJPXCBJFK-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO CCS[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000233991291 376607123 /nfs/dbraw/zinc/60/71/23/376607123.db2.gz VSPVYSYIPJZHLB-GXTWGEPZSA-N 1 0 298.383 3.498 20 5 CGBDRO [NH3+][C@H](CNc1c(Cl)cc([N+](=O)[O-])cc1Cl)C1CC1 ZINC000236311818 376661332 /nfs/dbraw/zinc/66/13/32/376661332.db2.gz HEWGSKAYSHBEMB-SNVBAGLBSA-N 1 0 290.150 3.051 20 5 CGBDRO CC1(C)OCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000557329711 376931539 /nfs/dbraw/zinc/93/15/39/376931539.db2.gz ILCABKRZXRGBRZ-OAHLLOKOSA-N 1 0 292.379 3.075 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCS[C@H](C)C1 ZINC000246077681 376962481 /nfs/dbraw/zinc/96/24/81/376962481.db2.gz CYMQGKSDNCSLPS-GHMZBOCLSA-N 1 0 266.366 3.093 20 5 CGBDRO C[N@H+](CCc1cccc([N+](=O)[O-])c1)[C@H]1C=CCCC1 ZINC000558741356 377042209 /nfs/dbraw/zinc/04/22/09/377042209.db2.gz UIWYHKGIJOEPKL-AWEZNQCLSA-N 1 0 260.337 3.178 20 5 CGBDRO CC[C@H]([NH2+][C@@H](CC)C(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000340499704 377104581 /nfs/dbraw/zinc/10/45/81/377104581.db2.gz FCVIVNDGMQVKQX-KBPBESRZSA-N 1 0 280.368 3.185 20 5 CGBDRO C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc([N+](=O)[O-])cc1 ZINC000247064915 377151789 /nfs/dbraw/zinc/15/17/89/377151789.db2.gz OADAVMUTGQBQLI-ZIAGYGMSSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc([N+](=O)[O-])c1 ZINC000248852779 377413095 /nfs/dbraw/zinc/41/30/95/377413095.db2.gz OYBCMMGIGZDIHJ-HZUKXOBISA-N 1 0 290.363 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CC3CCC2CC3)cc1 ZINC000314871271 249096320 /nfs/dbraw/zinc/09/63/20/249096320.db2.gz HAIVLKPYTNCPCE-SEEARECTSA-N 1 0 290.363 3.142 20 5 CGBDRO O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCCC2CC2)n1 ZINC000516145752 249226466 /nfs/dbraw/zinc/22/64/66/249226466.db2.gz OLSLXNMENHYVTO-KBPBESRZSA-N 1 0 292.383 3.055 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+](C)CC[C@H]1CCCO1 ZINC000342595158 377680236 /nfs/dbraw/zinc/68/02/36/377680236.db2.gz HFDBVYGOOOEAMZ-IUODEOHRSA-N 1 0 278.352 3.157 20 5 CGBDRO COC1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000574926590 377727868 /nfs/dbraw/zinc/72/78/68/377727868.db2.gz HWHXPJJJMXANOX-QOZQQMKHSA-N 1 0 290.363 3.129 20 5 CGBDRO CSC[C@@H]1CCC[N@@H+]1C/C=C\c1ccccc1[N+](=O)[O-] ZINC000255673278 377774923 /nfs/dbraw/zinc/77/49/23/377774923.db2.gz RPXWLXADMUMERW-ZBKLQPJUSA-N 1 0 292.404 3.435 20 5 CGBDRO O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000343014912 377881812 /nfs/dbraw/zinc/88/18/12/377881812.db2.gz LLMGTGQIZCOMJH-INIZCTEOSA-N 1 0 290.363 3.238 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000578976379 378118244 /nfs/dbraw/zinc/11/82/44/378118244.db2.gz BHRSFLYKPDPHJU-SRVKXCTJSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CS[C@@H](C)C1 ZINC000578976378 378118431 /nfs/dbraw/zinc/11/84/31/378118431.db2.gz BHRSFLYKPDPHJU-SDDRHHMPSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343929717 378136784 /nfs/dbraw/zinc/13/67/84/378136784.db2.gz LFISVBPPHKHDGP-TZMCWYRMSA-N 1 0 298.342 3.422 20 5 CGBDRO CCC1(CO)CC[NH+]([C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000270910967 378414146 /nfs/dbraw/zinc/41/41/46/378414146.db2.gz QCDBIGLXQHSPHJ-CYBMUJFWSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1c(C[N@@H+]2CCC[C@@]2(C)CCCO)cccc1[N+](=O)[O-] ZINC000271184981 378474290 /nfs/dbraw/zinc/47/42/90/378474290.db2.gz IWKXMGPYMCKJQR-INIZCTEOSA-N 1 0 292.379 3.030 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CCCSCC1 ZINC000272370988 378622301 /nfs/dbraw/zinc/62/23/01/378622301.db2.gz AVHXMOAHSAXUHG-GFCCVEGCSA-N 1 0 280.393 3.403 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000272518053 378656103 /nfs/dbraw/zinc/65/61/03/378656103.db2.gz KYMVUSYYLVLNKS-WWGRRREGSA-N 1 0 292.379 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CCCC3(CCC3)C2)cc1 ZINC000348165486 378819184 /nfs/dbraw/zinc/81/91/84/378819184.db2.gz DCNDQHGLSQPDMJ-UHFFFAOYSA-N 1 0 274.364 3.403 20 5 CGBDRO COC1([C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421847764 284741994 /nfs/dbraw/zinc/74/19/94/284741994.db2.gz YOGBYZYMFQZXHM-CYBMUJFWSA-N 1 0 292.379 3.422 20 5 CGBDRO CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CS1 ZINC000277200590 379095107 /nfs/dbraw/zinc/09/51/07/379095107.db2.gz JLOUJOVFTIVOQO-TZMCWYRMSA-N 1 0 280.393 3.215 20 5 CGBDRO CCOC1CC([N@H+](C)Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000347464266 218243358 /nfs/dbraw/zinc/24/33/58/218243358.db2.gz XNPGEKWZFHFKJD-UHFFFAOYSA-N 1 0 298.770 3.248 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3ccco3)C2)cc1 ZINC000374007295 379362277 /nfs/dbraw/zinc/36/22/77/379362277.db2.gz DYCFSTRHGBRSTK-CQSZACIVSA-N 1 0 286.331 3.220 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000374007648 379363016 /nfs/dbraw/zinc/36/30/16/379363016.db2.gz JQDYONXQBBGVPO-NSHDSACASA-N 1 0 290.294 3.316 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347614584 218291201 /nfs/dbraw/zinc/29/12/01/218291201.db2.gz PLDBKMJBPZEQQA-GHMZBOCLSA-N 1 0 266.341 3.128 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(OC)c1 ZINC000347614585 218292320 /nfs/dbraw/zinc/29/23/20/218292320.db2.gz PLDBKMJBPZEQQA-MNOVXSKESA-N 1 0 266.341 3.128 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000377541903 379692334 /nfs/dbraw/zinc/69/23/34/379692334.db2.gz FICXCJQODUQMKV-CYBMUJFWSA-N 1 0 264.300 3.108 20 5 CGBDRO CCSCCC[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000282133137 379859979 /nfs/dbraw/zinc/85/99/79/379859979.db2.gz VSDOSRQNOCZJOP-UHFFFAOYSA-N 1 0 268.382 3.136 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000402362008 379964008 /nfs/dbraw/zinc/96/40/08/379964008.db2.gz VYIIBCNOOFJXLJ-UONOGXRCSA-N 1 0 292.379 3.371 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2(C(F)(F)F)CC2)c(F)c1 ZINC000353052407 380094335 /nfs/dbraw/zinc/09/43/35/380094335.db2.gz JYNNMHWKEHATQV-UHFFFAOYSA-N 1 0 292.232 3.166 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@@H]2CSC[C@@H]2C)cccc1[N+](=O)[O-] ZINC000354019678 380281882 /nfs/dbraw/zinc/28/18/82/380281882.db2.gz ZTVRPHMCPWWHMK-XHVZSJERSA-N 1 0 280.393 3.305 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)[C@H](C)O1 ZINC000414519871 380293164 /nfs/dbraw/zinc/29/31/64/380293164.db2.gz UVPWYCJRKMXTCI-SCVCMEIPSA-N 1 0 298.770 3.151 20 5 CGBDRO Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000414915804 380488212 /nfs/dbraw/zinc/48/82/12/380488212.db2.gz NDTNCPFZEVHPGN-QGZVFWFLSA-N 1 0 297.358 3.344 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CC(C)C ZINC000417376671 380613194 /nfs/dbraw/zinc/61/31/94/380613194.db2.gz RKZGAHWOKFRHCH-WFASDCNBSA-N 1 0 280.368 3.307 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CC2CC2)C2CCC2)c(F)c1 ZINC000355680805 380748339 /nfs/dbraw/zinc/74/83/39/380748339.db2.gz LWZVZYUBQZZXOV-UHFFFAOYSA-N 1 0 278.327 3.498 20 5 CGBDRO C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000357114362 381034688 /nfs/dbraw/zinc/03/46/88/381034688.db2.gz DMWHYECIDOHLAR-ZDUSSCGKSA-N 1 0 278.352 3.096 20 5 CGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000358023812 381288240 /nfs/dbraw/zinc/28/82/40/381288240.db2.gz XVGVSHTWJJIOHT-XUJVJEKNSA-N 1 0 278.352 3.203 20 5 CGBDRO CN(Cc1cccn1C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000360027518 381416526 /nfs/dbraw/zinc/41/65/26/381416526.db2.gz KZMPVLIQAPMEAB-UHFFFAOYSA-N 1 0 293.754 3.219 20 5 CGBDRO COc1cc(C[N@@H+]2CCCC[C@H](C)C2)c([N+](=O)[O-])cc1F ZINC000360620302 381596441 /nfs/dbraw/zinc/59/64/41/381596441.db2.gz OFVLSROWGUXTBU-NSHDSACASA-N 1 0 296.342 3.365 20 5 CGBDRO CC[C@H]([NH2+]C[C@@]1(C)CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000361399372 381730317 /nfs/dbraw/zinc/73/03/17/381730317.db2.gz DSXDXNSQVUZDNO-LSDHHAIUSA-N 1 0 278.352 3.062 20 5 CGBDRO CC[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)CC1CCC1 ZINC000361488340 381770394 /nfs/dbraw/zinc/77/03/94/381770394.db2.gz YZSAZBVTGKOWPG-UHFFFAOYSA-N 1 0 289.335 3.358 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)C2CCC2)c([N+](=O)[O-])cc1F ZINC000362175642 381899235 /nfs/dbraw/zinc/89/92/35/381899235.db2.gz FVZKOSJHXWWFAL-SNVBAGLBSA-N 1 0 296.342 3.363 20 5 CGBDRO COc1cc(C[N@@H+]2C[C@H](C)CC[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362313278 381939482 /nfs/dbraw/zinc/93/94/82/381939482.db2.gz CELWJQINFZHOLA-MNOVXSKESA-N 1 0 296.342 3.363 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(c3ccccn3)CC2)cc1 ZINC000363447239 382221026 /nfs/dbraw/zinc/22/10/26/382221026.db2.gz SVXPNPNWTYNRNZ-UHFFFAOYSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3ccccc32)cs1 ZINC000037562597 285086402 /nfs/dbraw/zinc/08/64/02/285086402.db2.gz YLMWHOBDEXPUCA-ZDUSSCGKSA-N 1 0 274.345 3.433 20 5 CGBDRO CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000353783512 220327155 /nfs/dbraw/zinc/32/71/55/220327155.db2.gz XSNHZONLYMPEFD-HUUCEWRRSA-N 1 0 292.379 3.230 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCc3c[nH+]ccc32)c2ccncc21 ZINC000175004688 285131998 /nfs/dbraw/zinc/13/19/98/285131998.db2.gz OAQZNTQDTIZRJL-UHFFFAOYSA-N 1 0 292.298 3.232 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](C[C@@H]1CC=CCC1)CCO2 ZINC000356513787 285142051 /nfs/dbraw/zinc/14/20/51/285142051.db2.gz CBVNJQTWHXGUOD-CYBMUJFWSA-N 1 0 288.347 3.146 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCSC1)CCC2 ZINC000408366463 285144505 /nfs/dbraw/zinc/14/45/05/285144505.db2.gz OLSYYQXNRPKBFF-DOMZBBRYSA-N 1 0 292.404 3.457 20 5 CGBDRO C[C@H]1C[N@H+](Cc2csc([N+](=O)[O-])c2)C(C)(C)C1 ZINC000353846671 220361728 /nfs/dbraw/zinc/36/17/28/220361728.db2.gz QICPBYDQSZWTGG-SECBINFHSA-N 1 0 254.355 3.277 20 5 CGBDRO C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003283 542413942 /nfs/dbraw/zinc/41/39/42/542413942.db2.gz TXABPAOYWWMXBC-MNOVXSKESA-N 1 0 283.397 3.189 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CSC[C@H]2C)cc1[N+](=O)[O-] ZINC000287516327 196873860 /nfs/dbraw/zinc/87/38/60/196873860.db2.gz OHZNQQLTSBRMGN-NTZNESFSSA-N 1 0 280.393 3.305 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC(F)(F)C2)cs1 ZINC000281603235 195304160 /nfs/dbraw/zinc/30/41/60/195304160.db2.gz KEZICQDBZHYUDI-MRVPVSSYSA-N 1 0 276.308 3.181 20 5 CGBDRO COCC1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCC1 ZINC000282167938 195526226 /nfs/dbraw/zinc/52/62/26/195526226.db2.gz YHTKLUKTMFCAPI-UHFFFAOYSA-N 1 0 298.770 3.155 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000414186641 533307579 /nfs/dbraw/zinc/30/75/79/533307579.db2.gz CUUPBQZGLLLGST-WCQYABFASA-N 1 0 280.368 3.226 20 5 CGBDRO CSC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000193819746 533511620 /nfs/dbraw/zinc/51/16/20/533511620.db2.gz APBIKXWGTFMQDT-JTQLQIEISA-N 1 0 266.366 3.141 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190428173 130102770 /nfs/dbraw/zinc/10/27/70/130102770.db2.gz YSFDPPYNTUSLCP-RYUDHWBXSA-N 1 0 280.393 3.341 20 5 CGBDRO CCC(CC)[C@H](CNc1ncc(C)cc1[N+](=O)[O-])[NH+](C)C ZINC000361270471 392274137 /nfs/dbraw/zinc/27/41/37/392274137.db2.gz DXDUJYLBRHFLAW-AWEZNQCLSA-N 1 0 294.399 3.077 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000246870025 131097828 /nfs/dbraw/zinc/09/78/28/131097828.db2.gz FCIJAQPSVAGNIX-DUVNUKRYSA-N 1 0 292.379 3.105 20 5 CGBDRO C[C@@H](Cc1ccncc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000361964529 392375589 /nfs/dbraw/zinc/37/55/89/392375589.db2.gz AHQARTUUKUQOGQ-STQMWFEESA-N 1 0 285.347 3.272 20 5 CGBDRO Cc1ccnc([C@@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])c1 ZINC000286105685 392377519 /nfs/dbraw/zinc/37/75/19/392377519.db2.gz NJQJNTBCPBXFOD-CYBMUJFWSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000159966253 392580851 /nfs/dbraw/zinc/58/08/51/392580851.db2.gz UQMCRBHATINLQT-AAEUAGOBSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)C[C@@H]1OCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000185192875 392768918 /nfs/dbraw/zinc/76/89/18/392768918.db2.gz NQIHWTXBKNTADX-CVEARBPZSA-N 1 0 292.379 3.278 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C2CC2)cc1F ZINC000374867137 392710480 /nfs/dbraw/zinc/71/04/80/392710480.db2.gz BPIZUKGHTIHVIW-CYBMUJFWSA-N 1 0 264.300 3.108 20 5 CGBDRO CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)CC(C)C ZINC000520172446 392907611 /nfs/dbraw/zinc/90/76/11/392907611.db2.gz ILFKATCNHJHQRQ-UHFFFAOYSA-N 1 0 280.368 3.342 20 5 CGBDRO C[C@H]1CCCCC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000512186486 392850352 /nfs/dbraw/zinc/85/03/52/392850352.db2.gz VYWUFLUDWNKYOZ-ZDUSSCGKSA-N 1 0 262.353 3.402 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](OC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000340492582 392975204 /nfs/dbraw/zinc/97/52/04/392975204.db2.gz RDOBLRBVUIXQLQ-HOTGVXAUSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@H]1C[C@H](C)C[N@@H+]1Cc1cc([N+](=O)[O-])ccc1OC ZINC000466923471 393072877 /nfs/dbraw/zinc/07/28/77/393072877.db2.gz KNOSFDRECNQPJH-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCCSC1 ZINC000469134176 393178665 /nfs/dbraw/zinc/17/86/65/393178665.db2.gz XEGHCLWVRYCWIA-UNJUUPHPSA-N 1 0 292.404 3.483 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000268925239 393209174 /nfs/dbraw/zinc/20/91/74/393209174.db2.gz ALCZEMFNJGBYAY-JSGCOSHPSA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cc1[N+](=O)[O-] ZINC000276747183 393301320 /nfs/dbraw/zinc/30/13/20/393301320.db2.gz HGXUAZBNVOIIQU-WFASDCNBSA-N 1 0 294.395 3.349 20 5 CGBDRO CO[C@@H]1CC[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000471798823 393307559 /nfs/dbraw/zinc/30/75/59/393307559.db2.gz NYGNCYWGSDKBIV-IIUKIDADSA-N 1 0 290.363 3.155 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000278502398 393320936 /nfs/dbraw/zinc/32/09/36/393320936.db2.gz LRWYLOHEVPUTND-RCBQFDQVSA-N 1 0 292.379 3.451 20 5 CGBDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000475156373 393378718 /nfs/dbraw/zinc/37/87/18/393378718.db2.gz WOEDGADRASHLRR-FRRDWIJNSA-N 1 0 262.353 3.461 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390582 393437962 /nfs/dbraw/zinc/43/79/62/393437962.db2.gz ZCSFMZKYYSYYFS-GXFFZTMASA-N 1 0 296.342 3.363 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])[C@H]1C ZINC000482859626 393440733 /nfs/dbraw/zinc/44/07/33/393440733.db2.gz SHFXPMPUTXCNHL-UWVGGRQHSA-N 1 0 268.744 3.479 20 5 CGBDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc([N+](=O)[O-])cc1OC ZINC000430206728 393539014 /nfs/dbraw/zinc/53/90/14/393539014.db2.gz PCSSYLLESLKREE-WDEREUQCSA-N 1 0 266.341 3.128 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[C@H](C)C1 ZINC000430241458 393547767 /nfs/dbraw/zinc/54/77/67/393547767.db2.gz VYPOTFPNKWEGOS-AAEUAGOBSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@H](CCO)CC1 ZINC000421023927 393580812 /nfs/dbraw/zinc/58/08/12/393580812.db2.gz WUMZUVXAYKNAAQ-KBPBESRZSA-N 1 0 292.379 3.140 20 5 CGBDRO CC[C@H]1CCCC[N@@H+]1CCNc1ccccc1[N+](=O)[O-] ZINC000500421740 393827806 /nfs/dbraw/zinc/82/78/06/393827806.db2.gz OMDRBWFCJQLIJZ-ZDUSSCGKSA-N 1 0 277.368 3.271 20 5 CGBDRO CC(C)C[C@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000500461079 393829729 /nfs/dbraw/zinc/82/97/29/393829729.db2.gz JZEGKZCOZMEJFV-CQSZACIVSA-N 1 0 292.379 3.484 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000449538112 393888287 /nfs/dbraw/zinc/88/82/87/393888287.db2.gz KEKHNAQRYXWPJI-ZBFHGGJFSA-N 1 0 272.348 3.215 20 5 CGBDRO CO[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1(C)C ZINC000227790050 285861369 /nfs/dbraw/zinc/86/13/69/285861369.db2.gz KSPOLDBQXVEHBO-LEWSCRJBSA-N 1 0 278.352 3.059 20 5 CGBDRO CSC(C)(C)C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000135797536 286646119 /nfs/dbraw/zinc/64/61/19/286646119.db2.gz IKWFBCJCUHDNIP-SNVBAGLBSA-N 1 0 268.382 3.387 20 5 CGBDRO C[C@H](Cc1ccsc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000049181939 286919479 /nfs/dbraw/zinc/91/94/79/286919479.db2.gz YYVPBWIPIKVXCG-GFCCVEGCSA-N 1 0 290.388 3.420 20 5 CGBDRO CC(C)[C@@H]([NH3+])CNc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 ZINC000070447983 165062156 /nfs/dbraw/zinc/06/21/56/165062156.db2.gz XHIXIYQMEKQGNA-JTQLQIEISA-N 1 0 291.273 3.009 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000090587901 287102909 /nfs/dbraw/zinc/10/29/09/287102909.db2.gz DCLURZKPPLPVFP-CHWSQXEVSA-N 1 0 294.395 3.351 20 5 CGBDRO Cc1ccc(F)c(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)c1 ZINC000116916474 287158478 /nfs/dbraw/zinc/15/84/78/287158478.db2.gz BNEXGEMKGHRLAN-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@H]([NH2+][C@@H](C)c1ccccn1)c1cccc([N+](=O)[O-])c1 ZINC000020123940 171005500 /nfs/dbraw/zinc/00/55/00/171005500.db2.gz IYRYVFLHNBWFTO-RYUDHWBXSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1[N+](=O)[O-] ZINC000020140466 171027258 /nfs/dbraw/zinc/02/72/58/171027258.db2.gz RSNFDWLNFRMXKR-LBPRGKRZSA-N 1 0 271.320 3.149 20 5 CGBDRO C[C@@H](Cc1cccs1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035254148 172084007 /nfs/dbraw/zinc/08/40/07/172084007.db2.gz VUMZGTLTSAIKJZ-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@H](Cc1cccs1)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000035254150 172084208 /nfs/dbraw/zinc/08/42/08/172084208.db2.gz VUMZGTLTSAIKJZ-LLVKDONJSA-N 1 0 276.361 3.377 20 5 CGBDRO CC(C)OCCC[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000035368229 172159588 /nfs/dbraw/zinc/15/95/88/172159588.db2.gz AWWPZHOCWIYTHK-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO C[C@H]([NH2+]CCc1ccco1)c1ccc([N+](=O)[O-])cc1 ZINC000035661433 172339365 /nfs/dbraw/zinc/33/93/65/172339365.db2.gz KHTMFMNPDYXIMM-NSHDSACASA-N 1 0 260.293 3.081 20 5 CGBDRO Cc1cccc(C[NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)n1 ZINC000127260735 287284023 /nfs/dbraw/zinc/28/40/23/287284023.db2.gz HCBFETZXZNYTMD-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO O=[N+]([O-])c1c(F)cccc1NCC[NH+]1CCCCCC1 ZINC000040768100 174398694 /nfs/dbraw/zinc/39/86/94/174398694.db2.gz GXSAXKRJSYHXQS-UHFFFAOYSA-N 1 0 281.331 3.022 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCN1CCCCC1 ZINC000128245914 287306848 /nfs/dbraw/zinc/30/68/48/287306848.db2.gz QFXFCNGULKZAJL-CQSZACIVSA-N 1 0 291.395 3.040 20 5 CGBDRO C[C@@](CO)([NH2+]Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000077655706 177291399 /nfs/dbraw/zinc/29/13/99/177291399.db2.gz PJWPIJFWLWBBKT-INIZCTEOSA-N 1 0 292.379 3.016 20 5 CGBDRO CCOC[C@@H]([NH2+]C/C=C/c1ccccc1[N+](=O)[O-])C(C)C ZINC000188860372 287562983 /nfs/dbraw/zinc/56/29/83/287562983.db2.gz DILSPCQGFCIGCE-LOWQCSRCSA-N 1 0 292.379 3.259 20 5 CGBDRO CC[C@@H]([NH2+]CCc1ccccc1[N+](=O)[O-])C1CCC1 ZINC000324933901 270094808 /nfs/dbraw/zinc/09/48/08/270094808.db2.gz VPWVZFJMRAXNSO-CQSZACIVSA-N 1 0 262.353 3.306 20 5 CGBDRO CC[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000522712352 270106756 /nfs/dbraw/zinc/10/67/56/270106756.db2.gz LZQSLOGMEUUYAP-AWEZNQCLSA-N 1 0 292.379 3.486 20 5 CGBDRO C[C@@H]1C[C@H](C)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000532780017 270219506 /nfs/dbraw/zinc/21/95/06/270219506.db2.gz BEVRJCUUVCJLFY-CHWSQXEVSA-N 1 0 262.353 3.463 20 5 CGBDRO CC[NH+](CC)[C@@H](C)CNc1ccc(C)cc1[N+](=O)[O-] ZINC000301506614 273640301 /nfs/dbraw/zinc/64/03/01/273640301.db2.gz HAVHCGIWCPBDQS-LBPRGKRZSA-N 1 0 265.357 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCS1)CCC2 ZINC000192951317 275037826 /nfs/dbraw/zinc/03/78/26/275037826.db2.gz ZPZQZJWZZXBMDH-HIFRSBDPSA-N 1 0 292.404 3.457 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]1C(F)F)CCC2 ZINC000348288428 275038611 /nfs/dbraw/zinc/03/86/11/275038611.db2.gz JTUKBVPKJIKSQX-UPJWGTAASA-N 1 0 282.290 3.215 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000251223799 287832481 /nfs/dbraw/zinc/83/24/81/287832481.db2.gz ZDCWZRPXIUKAIP-CWRNSKLLSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C ZINC000274578361 275951610 /nfs/dbraw/zinc/95/16/10/275951610.db2.gz DLNQNHCMKHYVKZ-NSHDSACASA-N 1 0 293.367 3.008 20 5 CGBDRO CCCC[C@@H](COC)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449164640 275981804 /nfs/dbraw/zinc/98/18/04/275981804.db2.gz ZYMNQOYAWRGCMR-ZFWWWQNUSA-N 1 0 294.395 3.321 20 5 CGBDRO CC[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2[nH]1)[C@@H](C)C(C)C ZINC000444594707 276144522 /nfs/dbraw/zinc/14/45/22/276144522.db2.gz UXZHRTXIZUEMLN-NSHDSACASA-N 1 0 290.367 3.338 20 5 CGBDRO CC[C@@](C)(O)C[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278978445 276535396 /nfs/dbraw/zinc/53/53/96/276535396.db2.gz CTHQURDNONWZBU-GDBMZVCRSA-N 1 0 292.379 3.068 20 5 CGBDRO COC1(C[C@@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCC1 ZINC000277223364 277188709 /nfs/dbraw/zinc/18/87/09/277188709.db2.gz YBHQBDVTXDESDV-GFCCVEGCSA-N 1 0 278.352 3.032 20 5 CGBDRO CO[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C1 ZINC000091772585 277285660 /nfs/dbraw/zinc/28/56/60/277285660.db2.gz DYQIWYJNOHZUQI-CQSZACIVSA-N 1 0 292.379 3.329 20 5 CGBDRO COC1(CC[NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CCC1 ZINC000516877569 277464833 /nfs/dbraw/zinc/46/48/33/277464833.db2.gz IBPKTQPJRCDBRL-CQSZACIVSA-N 1 0 290.363 3.131 20 5 CGBDRO C[C@@H](CC(C)(C)O)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000296596353 277560182 /nfs/dbraw/zinc/56/01/82/277560182.db2.gz VHNFCAHTMYPGNJ-NHYWBVRUSA-N 1 0 292.379 3.111 20 5 CGBDRO CO[C@@H](C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-])CC(C)C ZINC000417378894 277636311 /nfs/dbraw/zinc/63/63/11/277636311.db2.gz TUQCSOQWTCTEDY-DZGCQCFKSA-N 1 0 294.395 3.177 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CS[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000397934918 288035372 /nfs/dbraw/zinc/03/53/72/288035372.db2.gz RLUULMUJNHSGNN-GMXVVIOVSA-N 1 0 280.393 3.448 20 5 CGBDRO C[C@@H]([NH2+][C@@H](CO)CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000479534901 278366795 /nfs/dbraw/zinc/36/67/95/278366795.db2.gz YEGAEIWIHFYBEH-TZMCWYRMSA-N 1 0 294.395 3.433 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCO[C@H](C2CC2)C1)c1ccc([N+](=O)[O-])cc1 ZINC000157874140 278374153 /nfs/dbraw/zinc/37/41/53/278374153.db2.gz AZAQYTMHWZZDFY-XFJVYGCCSA-N 1 0 290.363 3.203 20 5 CGBDRO CC[C@H](O)[C@H](CC)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000453384163 288120831 /nfs/dbraw/zinc/12/08/31/288120831.db2.gz UHAZCPHKQGWLLA-ZLDLUXBVSA-N 1 0 280.368 3.103 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521904 279536715 /nfs/dbraw/zinc/53/67/15/279536715.db2.gz GRBFTGFRWCSUJF-XDTLVQLUSA-N 1 0 252.289 3.136 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000538192964 288562233 /nfs/dbraw/zinc/56/22/33/288562233.db2.gz NBSUWBIDXMOOAM-DVOMOZLQSA-N 1 0 292.379 3.369 20 5 CGBDRO CCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CCOCC1 ZINC000539711027 288626635 /nfs/dbraw/zinc/62/66/35/288626635.db2.gz ZHIWJXQMJBCSMJ-FNORWQNLSA-N 1 0 290.363 3.157 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](CCO)C(C)(C)C ZINC000545018668 288871932 /nfs/dbraw/zinc/87/19/32/288871932.db2.gz XBVMMDINUAPPOL-IUODEOHRSA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)[C@@H]1CC[C@@H]1[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000552062175 289157554 /nfs/dbraw/zinc/15/75/54/289157554.db2.gz OVFUQPHWDKKYRX-GJZGRUSLSA-N 1 0 262.353 3.162 20 5 CGBDRO Cc1ccc(CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])o1 ZINC000558940316 289528074 /nfs/dbraw/zinc/52/80/74/289528074.db2.gz HURZELFTEDCFAT-XQRVVYSFSA-N 1 0 286.331 3.342 20 5 CGBDRO Cc1cccnc1CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000562569400 289716214 /nfs/dbraw/zinc/71/62/14/289716214.db2.gz HAYMACCFSYGVAV-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO CC1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000158847164 321824116 /nfs/dbraw/zinc/82/41/16/321824116.db2.gz BFTKDMMDJWEHHN-GQCTYLIASA-N 1 0 260.337 3.340 20 5 CGBDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159418252 321834391 /nfs/dbraw/zinc/83/43/91/321834391.db2.gz AGSBSRKFOGOBSO-XJKSGUPXSA-N 1 0 294.395 3.433 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C(C)C)C1CC1 ZINC000324366976 321962065 /nfs/dbraw/zinc/96/20/65/321962065.db2.gz IWSTVJKIIYSPHW-OAHLLOKOSA-N 1 0 278.352 3.128 20 5 CGBDRO CC1(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000564768537 322042073 /nfs/dbraw/zinc/04/20/73/322042073.db2.gz QCWVQECMLQRHRX-UHFFFAOYSA-N 1 0 262.353 3.307 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000567123615 322151685 /nfs/dbraw/zinc/15/16/85/322151685.db2.gz NZIUHVSBXNDEAP-HZMBPMFUSA-N 1 0 299.330 3.034 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O ZINC000569391402 322246159 /nfs/dbraw/zinc/24/61/59/322246159.db2.gz KVOPYXAHKLQXSL-DOMZBBRYSA-N 1 0 294.395 3.349 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](CO)CC1CCC1 ZINC000571375381 322296923 /nfs/dbraw/zinc/29/69/23/322296923.db2.gz MCNFJXPFJLDXHF-GXTWGEPZSA-N 1 0 292.379 3.105 20 5 CGBDRO CCCC[C@H](COC)[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000572780283 322354704 /nfs/dbraw/zinc/35/47/04/322354704.db2.gz FMNAEXBQKNCPKY-IUODEOHRSA-N 1 0 292.379 3.377 20 5 CGBDRO COCC[C@H](C)C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000577481480 335356818 /nfs/dbraw/zinc/35/68/18/335356818.db2.gz VRFIFBDVWPERKH-AAEUAGOBSA-N 1 0 280.368 3.226 20 5 CGBDRO Cc1ccc(OCc2ccc3c(c2)C[NH2+]CC3)cc1[N+](=O)[O-] ZINC000577638481 335384241 /nfs/dbraw/zinc/38/42/41/335384241.db2.gz WLLWGKCTYRKOPY-UHFFFAOYSA-N 1 0 298.342 3.128 20 5 CGBDRO C[C@H]([NH2+][C@@H](CO)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000386183219 336167605 /nfs/dbraw/zinc/16/76/05/336167605.db2.gz HWFGEKOWYOZYIL-LRDDRELGSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000356917889 534152190 /nfs/dbraw/zinc/15/21/90/534152190.db2.gz MEUPBZURDRHQHO-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO COCCC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000183938981 522984433 /nfs/dbraw/zinc/98/44/33/522984433.db2.gz GDGIFDCLMVLURO-LBPRGKRZSA-N 1 0 280.368 3.308 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)CC(C)(C)C ZINC000094774713 523273612 /nfs/dbraw/zinc/27/36/12/523273612.db2.gz LEOAALOZUZBOHR-UHFFFAOYSA-N 1 0 254.305 3.212 20 5 CGBDRO Cc1cccc(NC2CC[NH+](CC3CC3)CC2)c1[N+](=O)[O-] ZINC000188361091 524670010 /nfs/dbraw/zinc/67/00/10/524670010.db2.gz OBRYOIKGMYIDSP-UHFFFAOYSA-N 1 0 289.379 3.190 20 5 CGBDRO Cc1csc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])n1 ZINC000449073405 534819441 /nfs/dbraw/zinc/81/94/41/534819441.db2.gz MTNWSTVVKHEFSV-SNVBAGLBSA-N 1 0 291.376 3.081 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]CC1CCCCC1 ZINC000062726263 527399239 /nfs/dbraw/zinc/39/92/39/527399239.db2.gz PPDCCXGBTLMYSE-UHFFFAOYSA-N 1 0 262.353 3.307 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCF ZINC000361061085 527501873 /nfs/dbraw/zinc/50/18/73/527501873.db2.gz ORTRLKLGODUKPJ-XFXZXTDPSA-N 1 0 266.316 3.337 20 5 CGBDRO Cc1nn(C)cc1[C@@H](C)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000087409013 527697117 /nfs/dbraw/zinc/69/71/17/527697117.db2.gz PWYRFMGVBATKNZ-GHMZBOCLSA-N 1 0 288.351 3.049 20 5 CGBDRO CCC[C@H]([NH2+]CC1(CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000157520106 528217159 /nfs/dbraw/zinc/21/71/59/528217159.db2.gz FWLGJQAEZLBTIG-HNNXBMFYSA-N 1 0 292.379 3.188 20 5 CGBDRO CC[N@H+](Cc1ccc(Br)cc1[N+](=O)[O-])C1CC1 ZINC000425382883 528770018 /nfs/dbraw/zinc/77/00/18/528770018.db2.gz JEBRCZIFXTZKAR-UHFFFAOYSA-N 1 0 299.168 3.342 20 5 CGBDRO CCCC[C@H](C[NH3+])N[C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000423298273 528956678 /nfs/dbraw/zinc/95/66/78/528956678.db2.gz NVGAFZMJLOFZSN-TZMCWYRMSA-N 1 0 279.384 3.071 20 5 CGBDRO CCOCCCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000192697977 535512288 /nfs/dbraw/zinc/51/22/88/535512288.db2.gz QOKCDGMHCYHOSU-INIZCTEOSA-N 1 0 292.379 3.379 20 5 CGBDRO CCO[C@@H]1CCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000452018328 535753875 /nfs/dbraw/zinc/75/38/75/535753875.db2.gz QNRQCEPZLJIULD-TZMCWYRMSA-N 1 0 298.770 3.295 20 5 CGBDRO COC1(CC[NH2+]C(C)(C)c2ccccc2[N+](=O)[O-])CCC1 ZINC000339209717 536617844 /nfs/dbraw/zinc/61/78/44/536617844.db2.gz RWPLSNMBWASSLJ-UHFFFAOYSA-N 1 0 292.379 3.379 20 5 CGBDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000513661977 536898061 /nfs/dbraw/zinc/89/80/61/536898061.db2.gz RRFUORBNVZUZFC-QWHCGFSZSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000741790950 572529260 /nfs/dbraw/zinc/52/92/60/572529260.db2.gz OIQQTFZKGKIBTJ-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)[NH2+][C@H]1CCCN(c2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000749393661 572998514 /nfs/dbraw/zinc/99/85/14/572998514.db2.gz ZBCLOERRTONRTG-NSHDSACASA-N 1 0 297.786 3.215 20 5 CGBDRO CC(C)C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CC1 ZINC000051735407 618635319 /nfs/dbraw/zinc/63/53/19/618635319.db2.gz UDIDIVDKRWYOTM-UHFFFAOYSA-N 1 0 266.316 3.354 20 5 CGBDRO Cc1noc(C[NH2+]C2(C3CCCCC3)CC2)c1[N+](=O)[O-] ZINC000934790309 618690812 /nfs/dbraw/zinc/69/08/12/618690812.db2.gz YQPHGZGUCQAQDI-UHFFFAOYSA-N 1 0 279.340 3.094 20 5 CGBDRO C[C@H]([N@H+](C)Cn1ncc2cc([N+](=O)[O-])ccc21)C1(C)CC1 ZINC000176832612 618742647 /nfs/dbraw/zinc/74/26/47/618742647.db2.gz MPFCJQFBBRHLNP-NSHDSACASA-N 1 0 288.351 3.022 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000893284009 619066673 /nfs/dbraw/zinc/06/66/73/619066673.db2.gz CDCADGQTJVRTOG-BXUZGUMPSA-N 1 0 298.770 3.153 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2C=CCC2)cc1Cl ZINC000895527290 619842049 /nfs/dbraw/zinc/84/20/49/619842049.db2.gz LUEMGQVSQKUDCH-JTQLQIEISA-N 1 0 266.728 3.304 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CC1(C)C ZINC000840722620 620203168 /nfs/dbraw/zinc/20/31/68/620203168.db2.gz LUXWSSMXUQXWRN-SOUVJXGZSA-N 1 0 292.379 3.043 20 5 CGBDRO C[C@@H]([NH2+]C[C@]1(C)CCCCO1)c1c(F)cccc1[N+](=O)[O-] ZINC000927014597 620560938 /nfs/dbraw/zinc/56/09/38/620560938.db2.gz PAQZHZYWFLNPQD-ABAIWWIYSA-N 1 0 296.342 3.344 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]CC(C)(C)F)cc([N+](=O)[O-])c1 ZINC000903209317 621630692 /nfs/dbraw/zinc/63/06/92/621630692.db2.gz KLDGABACEWJICN-SECBINFHSA-N 1 0 270.304 3.002 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C[C@@H]2C=CCC2)cc([N+](=O)[O-])c1 ZINC000903217167 621632419 /nfs/dbraw/zinc/63/24/19/621632419.db2.gz QRGBFECXTMAZJT-VXGBXAGGSA-N 1 0 276.336 3.220 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1ccc([N+](=O)[O-])cc1 ZINC000903288202 621670514 /nfs/dbraw/zinc/67/05/14/621670514.db2.gz UVFQNKFJXZIYSC-ABAIWWIYSA-N 1 0 283.331 3.328 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cccnc2C)cc1[N+](=O)[O-] ZINC000903416885 621735827 /nfs/dbraw/zinc/73/58/27/621735827.db2.gz XFJOYESHZGMRIM-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2ccc(F)c(C[NH2+]C3CC3)c2)cn1 ZINC000904800425 621996327 /nfs/dbraw/zinc/99/63/27/621996327.db2.gz XAYNNWAMLHDBSX-UHFFFAOYSA-N 1 0 287.294 3.048 20 5 CGBDRO COC(C)(C)C[C@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000231883950 623348088 /nfs/dbraw/zinc/34/80/88/623348088.db2.gz GPURQAWLSZTWHX-NSHDSACASA-N 1 0 280.368 3.196 20 5 CGBDRO CC1(C)CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154365427 624261830 /nfs/dbraw/zinc/26/18/30/624261830.db2.gz QRDOHHKYBVTLCC-OAHLLOKOSA-N 1 0 292.379 3.140 20 5 CGBDRO Cc1nn(C[N@@H+](CC(C)C)CC(C)(C)C)c(C)c1[N+](=O)[O-] ZINC000124599288 634458077 /nfs/dbraw/zinc/45/80/77/634458077.db2.gz FZEOKIXNUJRFTL-UHFFFAOYSA-N 1 0 296.415 3.370 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCS1 ZINC000922842207 626055987 /nfs/dbraw/zinc/05/59/87/626055987.db2.gz KPHBTAVSDNAMHM-UDGJJRABSA-N 1 0 292.404 3.482 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CCCO1 ZINC000754516784 626574037 /nfs/dbraw/zinc/57/40/37/626574037.db2.gz RHEMBWJTPLGMPC-GXTWGEPZSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000839659690 626771413 /nfs/dbraw/zinc/77/14/13/626771413.db2.gz GNTYJVNKEGLJPX-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000839676409 626776759 /nfs/dbraw/zinc/77/67/59/626776759.db2.gz LWKXZHGNIHMWHX-LBPRGKRZSA-N 1 0 278.327 3.356 20 5 CGBDRO CCC[C@@H](C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000764432531 627207536 /nfs/dbraw/zinc/20/75/36/627207536.db2.gz CXQREUPMKMGMMZ-CYBMUJFWSA-N 1 0 291.395 3.342 20 5 CGBDRO C[C@@H]([NH2+]CCNc1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000766516916 627340115 /nfs/dbraw/zinc/34/01/15/627340115.db2.gz YPZSJZQJXQUDAK-CYBMUJFWSA-N 1 0 285.347 3.358 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC(C(F)F)C2)c1 ZINC000768708352 627494938 /nfs/dbraw/zinc/49/49/38/627494938.db2.gz XRCAGVJMNDQXFZ-UHFFFAOYSA-N 1 0 290.697 3.382 20 5 CGBDRO CCCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774113263 627946508 /nfs/dbraw/zinc/94/65/08/627946508.db2.gz VBFBLPJULMRWSC-KGLIPLIRSA-N 1 0 294.399 3.445 20 5 CGBDRO CC[C@]1(C)CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000776589706 628222291 /nfs/dbraw/zinc/22/22/91/628222291.db2.gz VMDPOHNCUUOFFG-JKSUJKDBSA-N 1 0 292.379 3.140 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCC=CO1 ZINC000783303176 628701396 /nfs/dbraw/zinc/70/13/96/628701396.db2.gz HFTHRTJPYCIKRA-HIFRSBDPSA-N 1 0 290.363 3.198 20 5 CGBDRO CCOC(C)(C)C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000783721410 628743296 /nfs/dbraw/zinc/74/32/96/628743296.db2.gz VVGRBTYLXTYHKQ-UHFFFAOYSA-N 1 0 286.759 3.153 20 5 CGBDRO CCOC1CC([N@H+](C)Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000805818656 628960308 /nfs/dbraw/zinc/96/03/08/628960308.db2.gz KLPWDTKOJAVOKM-UHFFFAOYSA-N 1 0 298.770 3.248 20 5 CGBDRO C[C@H]([NH2+]CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497434 629059677 /nfs/dbraw/zinc/05/96/77/629059677.db2.gz HIWGLEHRCIXVPI-ZDUSSCGKSA-N 1 0 299.374 3.460 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2C2CC2)cc1[N+](=O)[O-] ZINC000797905989 630000645 /nfs/dbraw/zinc/00/06/45/630000645.db2.gz SGSNFDFIICOCRZ-UONOGXRCSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000840184819 630812042 /nfs/dbraw/zinc/81/20/42/630812042.db2.gz UJNZNDKKEIWQKS-LLVKDONJSA-N 1 0 288.351 3.022 20 5 CGBDRO C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@]1(C)CCCO1 ZINC000815596524 631803389 /nfs/dbraw/zinc/80/33/89/631803389.db2.gz WZRPXKLQPQEWPO-YGRLFVJLSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)[C@]1(C)CCCO1 ZINC000815596521 631803636 /nfs/dbraw/zinc/80/36/36/631803636.db2.gz WZRPXKLQPQEWPO-HZMBPMFUSA-N 1 0 298.770 3.295 20 5 CGBDRO CC(C)([NH2+]Cc1cccc([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000865747742 632876219 /nfs/dbraw/zinc/87/62/19/632876219.db2.gz WJCRNAWMZJIKKW-AWEZNQCLSA-N 1 0 278.352 3.032 20 5 CGBDRO CCC1([NH2+][C@H](C)Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000866362233 633101163 /nfs/dbraw/zinc/10/11/63/633101163.db2.gz ACVWOENEZWOGTP-SNVBAGLBSA-N 1 0 266.316 3.197 20 5 CGBDRO C[C@H](F)CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866363800 633102320 /nfs/dbraw/zinc/10/23/20/633102320.db2.gz OPQRXFBXXGTJTF-UWVGGRQHSA-N 1 0 272.295 3.003 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CC[C@@H]1CCSC1 ZINC000866405214 633125274 /nfs/dbraw/zinc/12/52/74/633125274.db2.gz YXDFTTMIGBPOBI-BXUZGUMPSA-N 1 0 292.404 3.315 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC(C)(C)CC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000866453165 633142319 /nfs/dbraw/zinc/14/23/19/633142319.db2.gz IUBGLTOQVYRFKR-NILFDRSVSA-N 1 0 292.379 3.185 20 5 CGBDRO CC[C@H](C[C@@H](C)O)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000866636247 633224778 /nfs/dbraw/zinc/22/47/78/633224778.db2.gz XWFYHPZUCPSTLJ-KGYLQXTDSA-N 1 0 280.368 3.103 20 5 CGBDRO CC/C=C/C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000824701728 633276343 /nfs/dbraw/zinc/27/63/43/633276343.db2.gz AKRZVOMFYFEXJT-ONEGZZNKSA-N 1 0 289.379 3.119 20 5 CGBDRO CO[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(Cl)c2)C[C@@H]1C ZINC000824814433 633294475 /nfs/dbraw/zinc/29/44/75/633294475.db2.gz ADVUPALROZQULO-HZMBPMFUSA-N 1 0 298.770 3.105 20 5 CGBDRO CC(C)(F)CC[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000827188811 633469158 /nfs/dbraw/zinc/46/91/58/633469158.db2.gz ANBQGEUVTUKFHD-UHFFFAOYSA-N 1 0 274.723 3.476 20 5 CGBDRO CC[NH+](CC)C[C@H](C)N[C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872030795 633949715 /nfs/dbraw/zinc/94/97/15/633949715.db2.gz CHGADZVQMKXDSP-RYUDHWBXSA-N 1 0 297.374 3.115 20 5 CGBDRO COCC[C@H](C)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872031829 633950971 /nfs/dbraw/zinc/95/09/71/633950971.db2.gz UHJSKHQBJZFESK-QWRGUYRKSA-N 1 0 298.408 3.392 20 5 CGBDRO CC[C@@H](O)CC[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1SC ZINC000872045325 633968373 /nfs/dbraw/zinc/96/83/73/633968373.db2.gz ZKAQCVAISDKYBV-ZYHUDNBSSA-N 1 0 298.408 3.128 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CC=CCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045663 633969256 /nfs/dbraw/zinc/96/92/56/633969256.db2.gz QOWRQSNZOXQZKD-GHMZBOCLSA-N 1 0 264.300 3.493 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)c1c(F)cccc1[N+](=O)[O-] ZINC000872064939 633987571 /nfs/dbraw/zinc/98/75/71/633987571.db2.gz PMKAHJRQXRZAFD-WDEREUQCSA-N 1 0 296.342 3.342 20 5 CGBDRO C[C@H]([NH2+]C[C@]1(C)CC1(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC000872086397 634011980 /nfs/dbraw/zinc/01/19/80/634011980.db2.gz VROZAHXIZCAGOD-UFBFGSQYSA-N 1 0 288.269 3.430 20 5 CGBDRO C[C@@H]([NH2+]CC1=CCCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872088250 634014604 /nfs/dbraw/zinc/01/46/04/634014604.db2.gz MXAFFQVWQTXFLV-SNVBAGLBSA-N 1 0 264.300 3.495 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@H]1CCCOC1 ZINC000872090743 634015366 /nfs/dbraw/zinc/01/53/66/634015366.db2.gz DDTHUCBFYNRESX-LSDHHAIUSA-N 1 0 292.379 3.198 20 5 CGBDRO COC(C)(C)CC[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872093445 634019147 /nfs/dbraw/zinc/01/91/47/634019147.db2.gz VDTZFCZPDNZRNJ-SNVBAGLBSA-N 1 0 284.331 3.200 20 5 CGBDRO COCC[C@H]1CCC[C@H]1[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128241 634049639 /nfs/dbraw/zinc/04/96/39/634049639.db2.gz GBLVRRYLKKXSLA-GZBFAFLISA-N 1 0 292.379 3.451 20 5 CGBDRO COCCCCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873029667 634234164 /nfs/dbraw/zinc/23/41/64/634234164.db2.gz NLWALXDDSGRHHE-UHFFFAOYSA-N 1 0 280.368 3.118 20 5 CGBDRO COCC(C)(C)CC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873151378 634258771 /nfs/dbraw/zinc/25/87/71/634258771.db2.gz HZTVKMACNRAGPR-UHFFFAOYSA-N 1 0 294.395 3.364 20 5 CGBDRO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000834910506 634284673 /nfs/dbraw/zinc/28/46/73/634284673.db2.gz HYSCLLSLHLRWTD-QFYYESIMSA-N 1 0 289.379 3.406 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+](C)C[C@@H]1CCCOC1 ZINC000876696773 634883379 /nfs/dbraw/zinc/88/33/79/634883379.db2.gz XTOOORPBXWYLKT-AWEZNQCLSA-N 1 0 292.379 3.070 20 5 CGBDRO CCC(CC)(CC)C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877094792 634983672 /nfs/dbraw/zinc/98/36/72/634983672.db2.gz SVJWHVLVQSNEAC-UHFFFAOYSA-N 1 0 294.399 3.301 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)C1 ZINC000877700450 635151316 /nfs/dbraw/zinc/15/13/16/635151316.db2.gz PKMJIGDTXXBEPO-MGCOHNPYSA-N 1 0 286.784 3.232 20 5 CGBDRO CC1(C)CCCC[C@H]1[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000126730502 635229003 /nfs/dbraw/zinc/22/90/03/635229003.db2.gz KAEVJGIRMAGKBL-HUUCEWRRSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@H]1SCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC000843435883 635676465 /nfs/dbraw/zinc/67/64/65/635676465.db2.gz ZHBREEBIWWJDBI-LDYMZIIASA-N 1 0 286.784 3.232 20 5 CGBDRO CCC(O)(CC)C(C)(C)[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC000879697078 635836189 /nfs/dbraw/zinc/83/61/89/635836189.db2.gz TWPAQFWDCZUTSU-UHFFFAOYSA-N 1 0 280.368 3.014 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2ccccc2[N+](=O)[O-])C[C@@]1(F)Cl ZINC000846041159 636136460 /nfs/dbraw/zinc/13/64/60/636136460.db2.gz ZBNNKEGKMKEQMY-STQMWFEESA-N 1 0 286.734 3.389 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])c1ccc[nH]1 ZINC000848536863 636595270 /nfs/dbraw/zinc/59/52/70/636595270.db2.gz VYUNXAUWGCBTHY-QMTHXVAHSA-N 1 0 271.320 3.261 20 5 CGBDRO COC1CC(CC[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000850342267 637020956 /nfs/dbraw/zinc/02/09/56/637020956.db2.gz FJBHERCCJKNWGX-UHFFFAOYSA-N 1 0 298.770 3.153 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[C@H](C)C1 ZINC000850462075 637075740 /nfs/dbraw/zinc/07/57/40/637075740.db2.gz MMAJYZDWDCFESR-SRVKXCTJSA-N 1 0 278.352 3.443 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCC2(CCCC2)CC1 ZINC000886016701 637366219 /nfs/dbraw/zinc/36/62/19/637366219.db2.gz JWSQGUCSAPCUHJ-UHFFFAOYSA-N 1 0 275.352 3.146 20 5 CGBDRO Cc1cccc([C@@H]2CC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)c1 ZINC000886124834 637424905 /nfs/dbraw/zinc/42/49/05/637424905.db2.gz BWJLROMPQTVOHS-OAHLLOKOSA-N 1 0 297.358 3.288 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886315475 637497149 /nfs/dbraw/zinc/49/71/49/637497149.db2.gz NRNKCAYCWRARLN-AXAPSJFSSA-N 1 0 290.363 3.203 20 5 CGBDRO CC(C)([NH2+]Cc1ccnc(F)c1)c1ccc([N+](=O)[O-])cc1 ZINC000858148816 638643779 /nfs/dbraw/zinc/64/37/79/638643779.db2.gz MGFZMHFDTBMCBA-UHFFFAOYSA-N 1 0 289.310 3.154 20 5 CGBDRO COC/C(C)=C/C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000929852023 638956857 /nfs/dbraw/zinc/95/68/57/638956857.db2.gz DTDCGUUHPJYLOT-MDWZMJQESA-N 1 0 290.363 3.152 20 5 CGBDRO C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000246215306 640664975 /nfs/dbraw/zinc/66/49/75/640664975.db2.gz CVIOWJJXELZVET-XJKCOSOUSA-N 1 0 292.379 3.139 20 5 CGBDRO CC[C@H]1CCCCC[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000246294779 640669013 /nfs/dbraw/zinc/66/90/13/640669013.db2.gz PDYJCKBHUJYINK-GOEBONIOSA-N 1 0 292.379 3.283 20 5 CGBDRO CC1(C)CCC[C@H]1[NH2+]Cc1cc(F)ccc1[N+](=O)[O-] ZINC000094324309 640793387 /nfs/dbraw/zinc/79/33/87/640793387.db2.gz XJXNMLQUOQZJHT-CYBMUJFWSA-N 1 0 266.316 3.402 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+](CC2CC2)CC2CC2)cc1F ZINC000094774880 640802217 /nfs/dbraw/zinc/80/22/17/640802217.db2.gz CHJBCQHZVNIJDJ-UHFFFAOYSA-N 1 0 278.327 3.356 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773084 640802556 /nfs/dbraw/zinc/80/25/56/640802556.db2.gz BJDPJOAFEPCLFW-GXFFZTMASA-N 1 0 266.316 3.402 20 5 CGBDRO CC1(Nc2ccc3ccc4cccnc4c3n2)CC[NH2+]CC1 ZINC001157396873 805807478 /nfs/dbraw/zinc/80/74/78/805807478.db2.gz KSYDEMJWHFCEQK-UHFFFAOYSA-N 1 0 292.386 3.337 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1ccc([N+](=O)[O-])cc1F ZINC001251761964 805930610 /nfs/dbraw/zinc/93/06/10/805930610.db2.gz WAOZYAVNZDVMDO-KBPBESRZSA-N 1 0 281.331 3.019 20 5 CGBDRO CS[C@@H]1CC[C@@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1 ZINC001252280596 806037570 /nfs/dbraw/zinc/03/75/70/806037570.db2.gz RDDCOZZVAHZIKA-TZMCWYRMSA-N 1 0 280.393 3.311 20 5 CGBDRO Cc1ccc(Nc2ccc3c(c2)CC[NH2+]CC3)c([N+](=O)[O-])c1 ZINC001159682464 806149338 /nfs/dbraw/zinc/14/93/38/806149338.db2.gz YRZPNRMFOZEUEX-UHFFFAOYSA-N 1 0 297.358 3.335 20 5 CGBDRO Cc1ncc([N+](=O)[O-])cc1Nc1ccc([C@H]2CC[NH2+]C2)cc1 ZINC001159776660 806171508 /nfs/dbraw/zinc/17/15/08/806171508.db2.gz GFJKBCKRDNPWFN-ZDUSSCGKSA-N 1 0 298.346 3.119 20 5 CGBDRO CC(C)C[N@H+](C)[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254550339 806447328 /nfs/dbraw/zinc/44/73/28/806447328.db2.gz HVKPGIMHAGHMFK-LBPRGKRZSA-N 1 0 250.342 3.114 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC2(CC2)C1 ZINC001254552313 806449262 /nfs/dbraw/zinc/44/92/62/806449262.db2.gz KQLLEWSLXMWGQR-GFCCVEGCSA-N 1 0 260.337 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1C[C@H]3CCCC[C@@H]3C1)C2 ZINC001254596861 806457144 /nfs/dbraw/zinc/45/71/44/806457144.db2.gz GFBKXXLNUAOOQG-CKEIUWERSA-N 1 0 286.375 3.184 20 5 CGBDRO CCc1ccc(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)cc1 ZINC001254573103 806454159 /nfs/dbraw/zinc/45/41/59/806454159.db2.gz WQYGAOXUOHAVBP-KRWDZBQOSA-N 1 0 296.370 3.414 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+][C@@H]1CCCC(F)(F)C1)C2 ZINC001254576347 806454747 /nfs/dbraw/zinc/45/47/47/806454747.db2.gz VQRAORKJEDOAPO-OLZOCXBDSA-N 1 0 296.317 3.230 20 5 CGBDRO C[C@H]([NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1ccoc1 ZINC001254581054 806456225 /nfs/dbraw/zinc/45/62/25/806456225.db2.gz JNZGJVDLZZWRCE-HZMBPMFUSA-N 1 0 272.304 3.006 20 5 CGBDRO C[C@@H]1CC[C@@H](C)C1[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254590040 806457448 /nfs/dbraw/zinc/45/74/48/806457448.db2.gz SYNVLYBTCBZLGE-GYSYKLTISA-N 1 0 274.364 3.086 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3CCC[C@H]3C1)C2 ZINC001254594607 806457506 /nfs/dbraw/zinc/45/75/06/806457506.db2.gz RVJTUSLGICBUAG-HACGYAERSA-N 1 0 286.375 3.184 20 5 CGBDRO C[C@@H]1CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)[C@@H]1C ZINC001254600770 806458627 /nfs/dbraw/zinc/45/86/27/806458627.db2.gz RJBAZHQLQMXYSB-HSMVNMDESA-N 1 0 274.364 3.182 20 5 CGBDRO O=[N+]([O-])c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)cc2ccccc21 ZINC001162989107 806691441 /nfs/dbraw/zinc/69/14/41/806691441.db2.gz FHHAUBFRJGHLLR-DLBZAZTESA-N 1 0 297.358 3.445 20 5 CGBDRO CS[C@@H]1CCC[C@H]([NH2+]CCc2ccccc2[N+](=O)[O-])C1 ZINC000235219593 799144532 /nfs/dbraw/zinc/14/45/32/799144532.db2.gz OXRMAMLZVLLGFZ-UONOGXRCSA-N 1 0 294.420 3.401 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]CCC[C@H]1CCOC1 ZINC000402265794 799561079 /nfs/dbraw/zinc/56/10/79/799561079.db2.gz IDCNHQBAMVVDKK-NSHDSACASA-N 1 0 298.770 3.155 20 5 CGBDRO C[C@@H]1C[C@@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)[C@@H](C)O1 ZINC000686513107 799734685 /nfs/dbraw/zinc/73/46/85/799734685.db2.gz AALVRHZXQAMJIJ-MXWKQRLJSA-N 1 0 298.770 3.151 20 5 CGBDRO CC1(C)CC[C@H]1[NH2+]Cc1ccc(F)cc1[N+](=O)[O-] ZINC000692786046 799799219 /nfs/dbraw/zinc/79/92/19/799799219.db2.gz KQOSAHCXXFTGQO-GFCCVEGCSA-N 1 0 252.289 3.012 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1F ZINC000694619799 799823101 /nfs/dbraw/zinc/82/31/01/799823101.db2.gz STIUZIMEKDLPBW-NTZNESFSSA-N 1 0 264.300 3.012 20 5 CGBDRO C[C@@H]1CC([NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C[C@@H](C)O1 ZINC000694801810 799824788 /nfs/dbraw/zinc/82/47/88/799824788.db2.gz YZPGALZDIYWMSU-NXEZZACHSA-N 1 0 298.770 3.294 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1C[NH2+][C@@H]1C=CCC1 ZINC000698284724 799855793 /nfs/dbraw/zinc/85/57/93/799855793.db2.gz PAKCBVRZSFQYIU-LLVKDONJSA-N 1 0 252.701 3.056 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2C[C@H]2C2CC2)c1 ZINC000698896901 799858187 /nfs/dbraw/zinc/85/81/87/799858187.db2.gz LVERYNSDBQHDNJ-GWCFXTLKSA-N 1 0 280.755 3.384 20 5 CGBDRO C[C@H]1CCC[C@H](C[NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)O1 ZINC000701535950 799889877 /nfs/dbraw/zinc/88/98/77/799889877.db2.gz MXDDNYFYHXBHSF-GXFFZTMASA-N 1 0 298.770 3.295 20 5 CGBDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001163721798 806807390 /nfs/dbraw/zinc/80/73/90/806807390.db2.gz NSUWCWPTDRGJBJ-KGLIPLIRSA-N 1 0 293.342 3.019 20 5 CGBDRO C[NH+](C)[C@H]1C[C@H](Nc2ccc([N+](=O)[O-])cc2F)C12CCC2 ZINC001163721797 806808400 /nfs/dbraw/zinc/80/84/00/806808400.db2.gz NSUWCWPTDRGJBJ-KBPBESRZSA-N 1 0 293.342 3.019 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCC2CC=CC2)c(F)c1 ZINC000724196561 800356935 /nfs/dbraw/zinc/35/69/35/800356935.db2.gz GDUDNWCDBGTVSV-UHFFFAOYSA-N 1 0 264.300 3.180 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886830123 800546750 /nfs/dbraw/zinc/54/67/50/800546750.db2.gz MIWIMYMCCXRDHN-WWGRRREGSA-N 1 0 290.363 3.157 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(F)(C3CC3)CC2)cc1 ZINC000932630257 800667018 /nfs/dbraw/zinc/66/70/18/800667018.db2.gz NYRHYFZDCSUVLV-UHFFFAOYSA-N 1 0 278.327 3.309 20 5 CGBDRO C[C@H]1CN(c2sccc2[N+](=O)[O-])CC[N@@H+]1C1CCCC1 ZINC001164146208 806901079 /nfs/dbraw/zinc/90/10/79/806901079.db2.gz QIZQOUXSZZSKOL-NSHDSACASA-N 1 0 295.408 3.109 20 5 CGBDRO CC[C@H]1CN(Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H](C)O1 ZINC001180280835 809989488 /nfs/dbraw/zinc/98/94/88/809989488.db2.gz NRYCZSFRMRSHRW-JSGCOSHPSA-N 1 0 292.379 3.211 20 5 CGBDRO COc1cc([C@H](C)[NH2+][C@H]2CC[C@H]2C)cc([N+](=O)[O-])c1 ZINC001120366894 802742698 /nfs/dbraw/zinc/74/26/98/802742698.db2.gz XQFRDVONFADCCM-BFVZDQMLSA-N 1 0 264.325 3.053 20 5 CGBDRO [NH3+]Cc1cccn1-c1cc2cccnc2c2ncccc12 ZINC001167596009 807210368 /nfs/dbraw/zinc/21/03/68/807210368.db2.gz QQLMLBOJNCGRAR-UHFFFAOYSA-N 1 0 274.327 3.032 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccnc(F)c1)c1cccc([N+](=O)[O-])c1 ZINC001168741914 807501177 /nfs/dbraw/zinc/50/11/77/807501177.db2.gz UETYFHJFEOHGSY-CQSZACIVSA-N 1 0 289.310 3.370 20 5 CGBDRO [NH2+]=C(N[C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc2ccccc21 ZINC001168986945 807546797 /nfs/dbraw/zinc/54/67/97/807546797.db2.gz GLVYZIXYOYTEJE-JSGCOSHPSA-N 1 0 297.358 3.200 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)c(F)c1 ZINC001168983331 807547122 /nfs/dbraw/zinc/54/71/22/807547122.db2.gz JKBHZMYWKWRYDM-SCVCMEIPSA-N 1 0 284.306 3.061 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)c(Cl)c1 ZINC001168983786 807547343 /nfs/dbraw/zinc/54/73/43/807547343.db2.gz LERSGRGKXBYJMU-WCQYABFASA-N 1 0 282.771 3.183 20 5 CGBDRO Cc1cc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)ccc1F ZINC001168987279 807547420 /nfs/dbraw/zinc/54/74/20/807547420.db2.gz HXBNOFDGBLDZSH-YRGRVCCFSA-N 1 0 280.343 3.230 20 5 CGBDRO Cc1ccccc1CC(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168992000 807547875 /nfs/dbraw/zinc/54/78/75/807547875.db2.gz IVNNHYPKVLWTEV-ZBFHGGJFSA-N 1 0 290.407 3.351 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(OC)cc1 ZINC001168990510 807547899 /nfs/dbraw/zinc/54/78/99/807547899.db2.gz ZUKAHINJEHXIOY-DUVNUKRYSA-N 1 0 292.379 3.181 20 5 CGBDRO Cc1ccccc1C(C)(C)[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168998224 807549033 /nfs/dbraw/zinc/54/90/33/807549033.db2.gz KDRJVHMMROSKBX-KGLIPLIRSA-N 1 0 276.380 3.265 20 5 CGBDRO C[C@H]([NH3+])c1cn([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c2ccccc12 ZINC001169001167 807549450 /nfs/dbraw/zinc/54/94/50/807549450.db2.gz DCUHGORPWAXLBE-YNEHKIRRSA-N 1 0 287.363 3.279 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169002217 807550204 /nfs/dbraw/zinc/55/02/04/807550204.db2.gz JHXTZJXOLBAHAX-YSVLISHTSA-N 1 0 288.391 3.407 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@H]2c2ccccc2)C1 ZINC001169025441 807554724 /nfs/dbraw/zinc/55/47/24/807554724.db2.gz IXTMVHHOAMPIBJ-KBMXLJTQSA-N 1 0 274.364 3.269 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CCC[C@@H]2c2cccc(F)c2)C1 ZINC001169034191 807555548 /nfs/dbraw/zinc/55/55/48/807555548.db2.gz FWTMBBXHSVRGKP-UHOFOFEASA-N 1 0 292.354 3.408 20 5 CGBDRO CCc1ccc(C[N@H+](C)[C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169035152 807556020 /nfs/dbraw/zinc/55/60/20/807556020.db2.gz AQKGONSJGDPHFB-JKSUJKDBSA-N 1 0 276.380 3.126 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035854 807556259 /nfs/dbraw/zinc/55/62/59/807556259.db2.gz DIXKBVLSHHDXGY-ZBFHGGJFSA-N 1 0 274.364 3.096 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([N@@H+]2CC[C@H](C3CCCCC3)C2)C1 ZINC001169039042 807556750 /nfs/dbraw/zinc/55/67/50/807556750.db2.gz MTSWSTPWLSOXCC-KBMXLJTQSA-N 1 0 280.412 3.334 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039931 807557560 /nfs/dbraw/zinc/55/75/60/807557560.db2.gz VYHKMYKJFFAKGX-FGZQJIAISA-N 1 0 284.375 3.036 20 5 CGBDRO C[C@H]1c2ccccc2CC[N@@H+]1[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169056803 807562562 /nfs/dbraw/zinc/56/25/62/807562562.db2.gz SUAPLHGCYNDSJJ-KCQAQPDRSA-N 1 0 274.364 3.051 20 5 CGBDRO C[C@]12CCCC[C@H]1C[N@@H+]2Cc1cc(F)ccc1[N+](=O)[O-] ZINC001261811820 807789754 /nfs/dbraw/zinc/78/97/54/807789754.db2.gz UDUYQZWTJVGGGC-WFASDCNBSA-N 1 0 278.327 3.498 20 5 CGBDRO COc1ccc(C[C@H](C)[NH2+]C2CCCC2)c([N+](=O)[O-])c1 ZINC001170292099 807817735 /nfs/dbraw/zinc/81/77/35/807817735.db2.gz HQBYMSFESFBAAI-NSHDSACASA-N 1 0 278.352 3.067 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]C2CCCC2)c([N+](=O)[O-])c1 ZINC001170292089 807819372 /nfs/dbraw/zinc/81/93/72/807819372.db2.gz HQBYMSFESFBAAI-LLVKDONJSA-N 1 0 278.352 3.067 20 5 CGBDRO COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]3C[C@H]32)c([N+](=O)[O-])c1 ZINC001170353804 807827645 /nfs/dbraw/zinc/82/76/45/807827645.db2.gz FHEGIECCKQNUTN-SLEUVZQESA-N 1 0 290.363 3.019 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3CC[C@@H]2C3)c([N+](=O)[O-])c1 ZINC001170352837 807828089 /nfs/dbraw/zinc/82/80/89/807828089.db2.gz RPHIQOAYTADCSL-MBNYWOFBSA-N 1 0 290.363 3.019 20 5 CGBDRO CC(C)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC001170413565 807838168 /nfs/dbraw/zinc/83/81/68/807838168.db2.gz XPHLRCPZOUHTOT-CQSZACIVSA-N 1 0 262.353 3.430 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NC(C)(C)CC(C)=O ZINC001171499851 808079634 /nfs/dbraw/zinc/07/96/34/808079634.db2.gz WFWGMCBHNPGLLC-UHFFFAOYSA-N 1 0 277.432 3.453 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C1CCCC1)CC2 ZINC001172896252 808474767 /nfs/dbraw/zinc/47/47/67/808474767.db2.gz BZGSARXQQDESLN-HNNXBMFYSA-N 1 0 274.364 3.374 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC(C)C2)c1F ZINC001173175165 808531528 /nfs/dbraw/zinc/53/15/28/808531528.db2.gz LFYLXRKXYQVEBI-HSOILSAZSA-N 1 0 296.342 3.062 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C(C)C)c1F ZINC001173186035 808533061 /nfs/dbraw/zinc/53/30/61/808533061.db2.gz RBZMTRCOBWDQSN-SNVBAGLBSA-N 1 0 284.331 3.014 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C(C)(C)c1cccnc1 ZINC001173210055 808537223 /nfs/dbraw/zinc/53/72/23/808537223.db2.gz HHIWXDKRJKPUAV-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCC(F)(F)F ZINC001173216948 808538647 /nfs/dbraw/zinc/53/86/47/808538647.db2.gz OACXJVLEXXQUBB-VIFPVBQESA-N 1 0 276.258 3.068 20 5 CGBDRO CCC1([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC001173228253 808540977 /nfs/dbraw/zinc/54/09/77/808540977.db2.gz IHFCWNBMPQVQFE-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173231622 808542670 /nfs/dbraw/zinc/54/26/70/808542670.db2.gz BJNXAZYKQSTEQX-VXGBXAGGSA-N 1 0 250.342 3.304 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCCC[C@H](F)C1 ZINC001173228919 808543517 /nfs/dbraw/zinc/54/35/17/808543517.db2.gz NPXGKERCZDQLLI-OCCSQVGLSA-N 1 0 280.343 3.350 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]c(N3CCCC3)c2)cc1 ZINC001174477355 809031914 /nfs/dbraw/zinc/03/19/14/809031914.db2.gz OQRLVLXDRAXZSD-UHFFFAOYSA-N 1 0 284.319 3.334 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CCCC1 ZINC001177104656 809781565 /nfs/dbraw/zinc/78/15/65/809781565.db2.gz YORUEWHPDSEFJM-UHFFFAOYSA-N 1 0 264.325 3.026 20 5 CGBDRO CCCC[N@H+](C)C[C@H](C)Nc1ccc([N+](=O)[O-])c(C)c1 ZINC001186628354 810351750 /nfs/dbraw/zinc/35/17/50/810351750.db2.gz ZPYZSCULEVCGQN-ZDUSSCGKSA-N 1 0 279.384 3.436 20 5 CGBDRO Cc1cc(N2CC[NH2+]C3(CCCCC3)C2)c([N+](=O)[O-])s1 ZINC001187685854 810416069 /nfs/dbraw/zinc/41/60/69/810416069.db2.gz FHCZIJZVEVHPOB-UHFFFAOYSA-N 1 0 295.408 3.077 20 5 CGBDRO CCCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC001191358375 810705581 /nfs/dbraw/zinc/70/55/81/810705581.db2.gz LFVMDGCJQQAYKD-UHFFFAOYSA-N 1 0 292.379 3.486 20 5 CGBDRO Cc1cc(O[C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])cc1Cl ZINC001217977069 816027785 /nfs/dbraw/zinc/02/77/85/816027785.db2.gz ZUSZCWPKSYEDCC-SNVBAGLBSA-N 1 0 284.743 3.078 20 5 CGBDRO C[C@H]1C[NH2+]CCC[C@H]1Oc1cc([N+](=O)[O-])ccc1Cl ZINC001217986446 816034568 /nfs/dbraw/zinc/03/45/68/816034568.db2.gz LPVMKBRFIAALLZ-JOYOIKCWSA-N 1 0 284.743 3.015 20 5 CGBDRO O=[N+]([O-])c1c(O[C@@H]2CCC[NH2+]CC2)ccc2ccccc21 ZINC001217996970 816042819 /nfs/dbraw/zinc/04/28/19/816042819.db2.gz OIGFTZPGDPHERC-CYBMUJFWSA-N 1 0 286.331 3.269 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@@H]1CC[NH2+][C@H](C)C1 ZINC001218056819 816079169 /nfs/dbraw/zinc/07/91/69/816079169.db2.gz PKTYTMYEZXRCQE-NXEZZACHSA-N 1 0 284.743 3.076 20 5 CGBDRO Cc1cc(O[C@@H]2CC[NH2+][C@@H](C)C2)c([N+](=O)[O-])cc1Cl ZINC001218062763 816081550 /nfs/dbraw/zinc/08/15/50/816081550.db2.gz WFNVRWBZKQWZIT-VHSXEESVSA-N 1 0 284.743 3.076 20 5 CGBDRO O=[N+]([O-])c1c(O[C@H]2CC[C@]23CC[NH2+]C3)ccc2ccccc21 ZINC001218116039 816103795 /nfs/dbraw/zinc/10/37/95/816103795.db2.gz IWDXFRXDOQWGTP-DOTOQJQBSA-N 1 0 298.342 3.269 20 5 CGBDRO C[NH2+][C@H]1CC[C@H](Oc2cc(Cl)cc([N+](=O)[O-])c2)CC1 ZINC001218188754 816121536 /nfs/dbraw/zinc/12/15/36/816121536.db2.gz ZVTXOAJYASYMCG-UMSPYCQHSA-N 1 0 284.743 3.158 20 5 CGBDRO C[C@@H](Oc1ccc2c(c1)C[NH2+]C2)c1cccc([N+](=O)[O-])c1 ZINC001218344302 816172893 /nfs/dbraw/zinc/17/28/93/816172893.db2.gz UVVIBOCYQIUQCX-LLVKDONJSA-N 1 0 284.315 3.338 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1C[NH2+]CCC12CC2 ZINC001218399177 816192594 /nfs/dbraw/zinc/19/25/94/816192594.db2.gz LMSWQQDBJITCGO-NSHDSACASA-N 1 0 296.754 3.078 20 5 CGBDRO CC1(C)C[C@H](Oc2ccc(Cl)cc2[N+](=O)[O-])CC[NH2+]1 ZINC001218475300 816232994 /nfs/dbraw/zinc/23/29/94/816232994.db2.gz DLTBDWQHJSTAHI-SNVBAGLBSA-N 1 0 284.743 3.158 20 5 CGBDRO Cc1ccc(C)c([N+](=O)[O-])c1O[C@H]1CC[NH2+]C(C)(C)C1 ZINC001218479419 816235964 /nfs/dbraw/zinc/23/59/64/816235964.db2.gz VNDBNTDFMZQYGY-LBPRGKRZSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218485520 816240422 /nfs/dbraw/zinc/24/04/22/816240422.db2.gz KKOXHMYTZVGHLD-OAHLLOKOSA-N 1 0 284.315 3.127 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1O[C@@H]1C[NH2+]Cc2ccccc21 ZINC001218486807 816241861 /nfs/dbraw/zinc/24/18/61/816241861.db2.gz QVOMPRXDEHROKW-MRXNPFEDSA-N 1 0 284.315 3.127 20 5 CGBDRO O=[N+]([O-])/C=C/c1ccc(O[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC001218487479 816241949 /nfs/dbraw/zinc/24/19/49/816241949.db2.gz IYJHZMQTOJRKNJ-OAGJVSPASA-N 1 0 296.326 3.157 20 5 CGBDRO Cc1cc(O[C@H]2C[NH2+]Cc3ccccc32)cc([N+](=O)[O-])c1 ZINC001218491146 816245010 /nfs/dbraw/zinc/24/50/10/816245010.db2.gz VXFHMFBDNDRCNY-INIZCTEOSA-N 1 0 284.315 3.127 20 5 CGBDRO CC(C)c1ccc(CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001222118375 816352713 /nfs/dbraw/zinc/35/27/13/816352713.db2.gz VPCTVMKXGZDKFZ-CQSZACIVSA-N 1 0 250.406 3.421 20 5 CGBDRO Cc1cccc(CO[C@H]2CCC[N@@H+](C(C)C)C2)c1[N+](=O)[O-] ZINC001223660599 816664384 /nfs/dbraw/zinc/66/43/84/816664384.db2.gz GLUHCQPSNJZCSA-HNNXBMFYSA-N 1 0 292.379 3.293 20 5 CGBDRO CC[NH+]1CCC(O[C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC001224019876 816721713 /nfs/dbraw/zinc/72/17/13/816721713.db2.gz NVDPHVLYQJGVCU-LBPRGKRZSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1ccc([C@@H](C)OCCC[N+](C)(C)C)c(C)c1 ZINC001224624582 816835998 /nfs/dbraw/zinc/83/59/98/816835998.db2.gz XRBOMCNEVZEEPP-OAHLLOKOSA-N 1 0 250.406 3.477 20 5 CGBDRO C[N+](C)(C)CCO[C@H](c1ccccc1)C(F)(F)F ZINC001224771788 816877880 /nfs/dbraw/zinc/87/78/80/816877880.db2.gz RXWDCHJIUJLVDV-GFCCVEGCSA-N 1 0 262.295 3.013 20 5 CGBDRO C[N+](C)(C)CCO[C@H]1Cc2cccc3cccc1c23 ZINC001224770996 816877912 /nfs/dbraw/zinc/87/79/12/816877912.db2.gz DPBODYWVUXLNSR-INIZCTEOSA-N 1 0 256.369 3.160 20 5 CGBDRO CC[NH+](CC)CCO[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC001224927021 816909930 /nfs/dbraw/zinc/90/99/30/816909930.db2.gz CLKHPLWRICAFSO-LBPRGKRZSA-N 1 0 266.341 3.014 20 5 CGBDRO O=[N+]([O-])c1cccc(OC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001226763634 817457748 /nfs/dbraw/zinc/45/77/48/817457748.db2.gz YBHNRYSYYJRHPU-UHFFFAOYSA-N 1 0 299.330 3.038 20 5 CGBDRO Cc1cc(O[C@@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC001226843571 817481993 /nfs/dbraw/zinc/48/19/93/817481993.db2.gz LSOMOZFIHNFFCI-YWVIFJGQSA-N 1 0 290.363 3.012 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1O[C@H]1CC[C@H]([NH+](C)C)CC1 ZINC001226972509 817521546 /nfs/dbraw/zinc/52/15/46/817521546.db2.gz YCBQVHVWDGNXFB-JOCQHMNTSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c2c1CCC2 ZINC001227314406 817623598 /nfs/dbraw/zinc/62/35/98/817623598.db2.gz CLLZEVHOZCHEAU-LLVKDONJSA-N 1 0 268.808 3.302 20 5 CGBDRO Cc1cc(O[C@H]2[C@@H]3CCC[C@H]2C[N@@H+](C)C3)cc([N+](=O)[O-])c1 ZINC001228839777 818018380 /nfs/dbraw/zinc/01/83/80/818018380.db2.gz YOYCXMQCWBTSTN-VIKVFOODSA-N 1 0 290.363 3.012 20 5 CGBDRO C[N@H+](Cc1ccc2ccc3cccnc3c2n1)C1CC1 ZINC001232219720 818282913 /nfs/dbraw/zinc/28/29/13/818282913.db2.gz YZNICMLPKRUZSY-UHFFFAOYSA-N 1 0 263.344 3.377 20 5 CGBDRO CCOc1ccc2nc(O[C@H](C)C[N+](C)(C)C)sc2c1 ZINC001234575986 818883602 /nfs/dbraw/zinc/88/36/02/818883602.db2.gz RHHJLHKMSLIBHG-LLVKDONJSA-N 1 0 295.428 3.169 20 5 CGBDRO c1cnc2c(c1)cc(C1=CCC[NH2+]C1)c1cccnc12 ZINC001240669631 821231016 /nfs/dbraw/zinc/23/10/16/821231016.db2.gz OYYRUYGNYKIDIV-UHFFFAOYSA-N 1 0 261.328 3.160 20 5 CGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC001330089355 935268057 /nfs/dbraw/zinc/26/80/57/935268057.db2.gz LPKAKFQHZCHPJG-OLZOCXBDSA-N 1 0 298.383 3.450 20 5 CGBDRO Cc1noc(C[NH2+]C(C)(C)C2CCCCC2)c1[N+](=O)[O-] ZINC001327553295 928680929 /nfs/dbraw/zinc/68/09/29/928680929.db2.gz FPBSDPYETGJVTJ-UHFFFAOYSA-N 1 0 281.356 3.340 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)c1 ZINC001458492904 937465426 /nfs/dbraw/zinc/46/54/26/937465426.db2.gz ZLHBBTMYTXJEMV-HUUCEWRRSA-N 1 0 289.379 3.188 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC[C@@H](O)C(C)C)cc1[N+](=O)[O-] ZINC001461219277 937570630 /nfs/dbraw/zinc/57/06/30/937570630.db2.gz UWSIQNRHNOCQGN-MRXNPFEDSA-N 1 0 294.395 3.215 20 5 CGBDRO CCCc1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001229287830 932127904 /nfs/dbraw/zinc/12/79/04/932127904.db2.gz VFQMMZOISSQJEB-ZDUSSCGKSA-N 1 0 266.405 3.121 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(F)ccc1C(F)(F)F ZINC001229839700 932491463 /nfs/dbraw/zinc/49/14/63/932491463.db2.gz PQOXEEMRGUQYGL-VIFPVBQESA-N 1 0 280.285 3.318 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC001461861806 937603263 /nfs/dbraw/zinc/60/32/63/937603263.db2.gz RJKGQLFCBFYEOM-JQWIXIFHSA-N 1 0 262.353 3.442 20 5 CGBDRO CC(C)Cc1cc(O)ccc1O[C@@H](C)C[N+](C)(C)C ZINC001230209447 932541202 /nfs/dbraw/zinc/54/12/02/932541202.db2.gz XWZLRIDHVPQCSV-ZDUSSCGKSA-O 1 0 266.405 3.064 20 5 CGBDRO CC(C)[N@@H+]1CC[C@@H](Oc2cccc(Cl)c2[N+](=O)[O-])C1 ZINC001230915522 932641240 /nfs/dbraw/zinc/64/12/40/932641240.db2.gz QVTLNIZDIYQPPH-SNVBAGLBSA-N 1 0 284.743 3.110 20 5 CGBDRO CC[C@@H](C)[C@H](C[N@H+](C)CCc1ccccc1[N+](=O)[O-])OC ZINC001462221892 937626030 /nfs/dbraw/zinc/62/60/30/937626030.db2.gz WMNLXIUKIIQDNG-CJNGLKHVSA-N 1 0 294.395 3.130 20 5 CGBDRO C[C@H]1CCCC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC001307693402 932988332 /nfs/dbraw/zinc/98/83/32/932988332.db2.gz QLBJQAWZKSVEHE-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO Cc1c(C[N@H+]2C[C@H](C)[C@H](C)[C@@H]2C)cccc1[N+](=O)[O-] ZINC001307850880 933009932 /nfs/dbraw/zinc/00/99/32/933009932.db2.gz AXLHSTRHTFMGRA-GVXVVHGQSA-N 1 0 262.353 3.380 20 5 CGBDRO C[C@]12C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC001308119627 933053061 /nfs/dbraw/zinc/05/30/61/933053061.db2.gz SEXDLGYFVUKJEU-CIRFHOKZSA-N 1 0 298.386 3.281 20 5 CGBDRO CS[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785278 933780137 /nfs/dbraw/zinc/78/01/37/933780137.db2.gz UJDOTHRDBZYSEX-OLZOCXBDSA-N 1 0 280.393 3.311 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C/C=C/C1CC1 ZINC001324272127 934480406 /nfs/dbraw/zinc/48/04/06/934480406.db2.gz IIPNNYBQHFMABA-ONEGZZNKSA-N 1 0 276.336 3.049 20 5 CGBDRO O=[N+]([O-])c1ccc([O-])cc1C[N@@H+]1CC[C@H]2CCCC[C@H]2C1 ZINC001324459739 934508048 /nfs/dbraw/zinc/50/80/48/934508048.db2.gz MCIQBQFRLIANAR-OLZOCXBDSA-N 1 0 290.363 3.313 20 5 CGBDRO CC1(C)CCC[N@@H+]1CCNc1c(F)cc([N+](=O)[O-])cc1F ZINC001472804319 937784773 /nfs/dbraw/zinc/78/47/73/937784773.db2.gz XJIAWFWRNIXWSW-UHFFFAOYSA-N 1 0 299.321 3.159 20 5 CGBDRO C[C@@H](C[NH2+][C@@](C)(CO)c1cccc([N+](=O)[O-])c1)C(C)(C)C ZINC001473714258 937818738 /nfs/dbraw/zinc/81/87/38/937818738.db2.gz ORTZDOLHEGRUON-LRDDRELGSA-N 1 0 294.395 3.074 20 5 CGBDRO Cc1ccc(C[NH2+]C2CC3(CC3(F)F)C2)cc1[N+](=O)[O-] ZINC001327197363 935043315 /nfs/dbraw/zinc/04/33/15/935043315.db2.gz CNQJJKISTXUFRU-UHFFFAOYSA-N 1 0 282.290 3.181 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3[C@H](C2)C3(F)F)cc1[N+](=O)[O-] ZINC001330302941 935284446 /nfs/dbraw/zinc/28/44/46/935284446.db2.gz UNDNGTHNBXYPNE-UPJWGTAASA-N 1 0 296.317 3.427 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1CCSCC1)CC2 ZINC001330593650 935299872 /nfs/dbraw/zinc/29/98/72/935299872.db2.gz WKUFHJMSTGKOFT-UHFFFAOYSA-N 1 0 292.404 3.096 20 5 CGBDRO C[C@H]([NH2+]CCCC(F)F)c1c(F)cccc1[N+](=O)[O-] ZINC001331984570 935431277 /nfs/dbraw/zinc/43/12/77/935431277.db2.gz PDUMNXJPOKIZTJ-QMMMGPOBSA-N 1 0 276.258 3.430 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCC[C@@H](F)C2)cccc1[N+](=O)[O-] ZINC001335950171 936168797 /nfs/dbraw/zinc/16/87/97/936168797.db2.gz QDUDEDWETFELAL-OLZOCXBDSA-N 1 0 266.316 3.274 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2OCc3ccccc32)cccc1[N+](=O)[O-] ZINC001474300422 937849306 /nfs/dbraw/zinc/84/93/06/937849306.db2.gz XKCQLYARFWSDNG-KRWDZBQOSA-N 1 0 298.342 3.264 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2OCc3ccccc32)cccc1[N+](=O)[O-] ZINC001474300423 937849468 /nfs/dbraw/zinc/84/94/68/937849468.db2.gz XKCQLYARFWSDNG-QGZVFWFLSA-N 1 0 298.342 3.264 20 5 CGBDRO CCCN(CC[NH+](CC)CC)c1ccc(F)cc1[N+](=O)[O-] ZINC001559161791 938221620 /nfs/dbraw/zinc/22/16/20/938221620.db2.gz MKJOOWVRBISMSK-UHFFFAOYSA-N 1 0 297.374 3.292 20 5 CGBDRO CC[NH+](CC)CC[C@H](C)Nc1ccsc1[N+](=O)[O-] ZINC001559305425 938225138 /nfs/dbraw/zinc/22/51/38/938225138.db2.gz JFNMGERSFASKDB-JTQLQIEISA-N 1 0 271.386 3.189 20 5 CGBDRO C[C@@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC001560200223 938246617 /nfs/dbraw/zinc/24/66/17/938246617.db2.gz QBISMJVVABDVMT-GFCCVEGCSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@H]([NH2+]CCCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC001560200224 938246806 /nfs/dbraw/zinc/24/68/06/938246806.db2.gz QBISMJVVABDVMT-LBPRGKRZSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)Oc1cc(Cl)c(Cl)cc1O ZINC001229552840 960409149 /nfs/dbraw/zinc/40/91/49/960409149.db2.gz LNFNKMOHNYFOLH-QMMMGPOBSA-O 1 0 279.187 3.173 20 5 CGBDRO C[C@@H](NC[C@@H]([NH3+])CCC(C)(C)C)c1ccc([N+](=O)[O-])cc1 ZINC001579414533 962626848 /nfs/dbraw/zinc/62/68/48/962626848.db2.gz IQEXVOSLKGATQS-OCCSQVGLSA-N 1 0 293.411 3.399 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N[C@@H]2[C@H]3CCC[NH2+][C@H]3C2(C)C)c1 ZINC001579733958 962665436 /nfs/dbraw/zinc/66/54/36/962665436.db2.gz GUUMNQOEXVBCTE-NILFDRSVSA-N 1 0 289.379 3.092 20 5 CGBDRO CC[C@@H](C[NH+]1CCCC1)Nc1cc(C)c([N+](=O)[O-])cc1F ZINC000589688076 346807641 /nfs/dbraw/zinc/80/76/41/346807641.db2.gz YSSLVSOQMOUBQG-LBPRGKRZSA-N 1 0 295.358 3.329 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@H](CO)C2CCCC2)cc1[N+](=O)[O-] ZINC000290205917 197630702 /nfs/dbraw/zinc/63/07/02/197630702.db2.gz PLWVFCUFYCFPKJ-IUODEOHRSA-N 1 0 292.379 3.105 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C)[C@H](O)C(C)C ZINC000591255981 346912047 /nfs/dbraw/zinc/91/20/47/346912047.db2.gz YAIXQCCECIJIKU-UHOFOFEASA-N 1 0 294.395 3.349 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1[N+](=O)[O-])[C@@H]1CC1(F)F ZINC000591255924 346912273 /nfs/dbraw/zinc/91/22/73/346912273.db2.gz HHUUZIKXONMRGK-NGZCFLSTSA-N 1 0 270.279 3.289 20 5 CGBDRO CC[C@H]([NH2+]Cc1cc([N+](=O)[O-])ccc1OC)[C@H]1C[C@H]1C ZINC000414080978 529624521 /nfs/dbraw/zinc/62/45/21/529624521.db2.gz UBZFRGGXNIAHBK-SWHYSGLUSA-N 1 0 278.352 3.128 20 5 CGBDRO CC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)[C@@H](O)C(C)C ZINC000414285645 529652176 /nfs/dbraw/zinc/65/21/76/529652176.db2.gz BLZMGMFOTSZONL-NOLJZWGESA-N 1 0 294.395 3.349 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CCC(F)CC2)c(F)c1 ZINC000592377091 346980332 /nfs/dbraw/zinc/98/03/32/346980332.db2.gz JPXIEVWJCGEGOA-UHFFFAOYSA-N 1 0 284.306 3.352 20 5 CGBDRO CC[C@H](C)C[C@@H](CO)[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000592397458 346983682 /nfs/dbraw/zinc/98/36/82/346983682.db2.gz LIUCJZWTJBSASM-UBHSHLNASA-N 1 0 294.395 3.351 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1[N+](=O)[O-])C1CC1 ZINC000295087537 199339208 /nfs/dbraw/zinc/33/92/08/199339208.db2.gz RCOXRDXLVHLBHB-NWDGAFQWSA-N 1 0 262.353 3.304 20 5 CGBDRO CC[C@@H]1CO[C@@H](CC)C[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000593058786 347033643 /nfs/dbraw/zinc/03/36/43/347033643.db2.gz OMNSQQCAZBLXAQ-ZBFHGGJFSA-N 1 0 292.379 3.027 20 5 CGBDRO C[N@H+](CCc1ccccc1)CCc1ccc([N+](=O)[O-])cc1 ZINC000032232509 344930631 /nfs/dbraw/zinc/93/06/31/344930631.db2.gz YIHGZLZPSVGKFJ-UHFFFAOYSA-N 1 0 284.359 3.312 20 5 CGBDRO O=[N+]([O-])c1ccc(OCC[NH2+]CC2CCCCC2)cc1 ZINC000038079432 344954704 /nfs/dbraw/zinc/95/47/04/344954704.db2.gz LXMFRHLCUPLZJT-UHFFFAOYSA-N 1 0 278.352 3.144 20 5 CGBDRO CCCC[C@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000050888182 345085543 /nfs/dbraw/zinc/08/55/43/345085543.db2.gz KJPRGQUUEWHPRC-LBPRGKRZSA-N 1 0 266.341 3.142 20 5 CGBDRO CC1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000065208928 345269781 /nfs/dbraw/zinc/26/97/81/345269781.db2.gz PEQPTMHUVZYOTD-UHFFFAOYSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CCCC1 ZINC000065534839 345273997 /nfs/dbraw/zinc/27/39/97/345273997.db2.gz OOJZOGKXQOJNNB-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO Cc1cc(NC2CC(C)(C)[NH2+]C(C)(C)C2)ncc1[N+](=O)[O-] ZINC000080597471 345679730 /nfs/dbraw/zinc/67/97/30/345679730.db2.gz GPPAIGGYCZLBBW-UHFFFAOYSA-N 1 0 292.383 3.019 20 5 CGBDRO Cc1cc(N2CCC[C@@H]([NH+](C)C)C2)c(Cl)cc1[N+](=O)[O-] ZINC000080611265 345680130 /nfs/dbraw/zinc/68/01/30/345680130.db2.gz MKBWHEDULRQEPF-LLVKDONJSA-N 1 0 297.786 3.087 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083211453 345724963 /nfs/dbraw/zinc/72/49/63/345724963.db2.gz YPPCQPVVZWQRQH-WDEREUQCSA-N 1 0 289.335 3.356 20 5 CGBDRO C[C@@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1ccc(F)cn1 ZINC000090910067 345797155 /nfs/dbraw/zinc/79/71/55/345797155.db2.gz KZIHVDQIOZMNJI-LLVKDONJSA-N 1 0 289.310 3.022 20 5 CGBDRO Cc1cc(NC[C@@H]2CCC[N@@H+](C(C)C)C2)ccc1[N+](=O)[O-] ZINC000092626595 345848305 /nfs/dbraw/zinc/84/83/05/345848305.db2.gz GWBOXXCMPPAPFO-AWEZNQCLSA-N 1 0 291.395 3.436 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)C(C)(C)C)cc1[N+](=O)[O-] ZINC000112375958 345954765 /nfs/dbraw/zinc/95/47/65/345954765.db2.gz VHBIPTIHFMHMTB-SNVBAGLBSA-N 1 0 266.341 3.128 20 5 CGBDRO C[C@H]1CC[C@H](C)[NH+]1Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000123153414 346008015 /nfs/dbraw/zinc/00/80/15/346008015.db2.gz JMLGDOKXJNQGBJ-UWVGGRQHSA-N 1 0 275.308 3.109 20 5 CGBDRO CCCC(C)(C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000134513513 346082099 /nfs/dbraw/zinc/08/20/99/346082099.db2.gz RXGLTSVSLXGOMG-UHFFFAOYSA-N 1 0 250.342 3.306 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Nc1c(F)cc([N+](=O)[O-])cc1F ZINC000227889032 346311943 /nfs/dbraw/zinc/31/19/43/346311943.db2.gz NEDYPDCZSUDVFC-VIFPVBQESA-N 1 0 287.310 3.015 20 5 CGBDRO CC[N@@H+]1CCC[C@@H]1CNc1ccc(C(F)F)cc1[N+](=O)[O-] ZINC000314223421 346480908 /nfs/dbraw/zinc/48/09/08/346480908.db2.gz XHHGOEYSEIFHCP-LLVKDONJSA-N 1 0 299.321 3.429 20 5 CGBDRO CC[C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1OC ZINC000388616909 346571122 /nfs/dbraw/zinc/57/11/22/346571122.db2.gz AZLHKLFUCAWSAZ-SMDDNHRTSA-N 1 0 278.352 3.272 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000403644707 346597682 /nfs/dbraw/zinc/59/76/82/346597682.db2.gz IEGLWVHFIHUNFX-BNOWGMLFSA-N 1 0 290.363 3.129 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1CC2(CCC2)C1 ZINC000593687490 347103561 /nfs/dbraw/zinc/10/35/61/347103561.db2.gz HFCVLTNMLKRSBL-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO COc1c(C)cccc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000594523024 347189569 /nfs/dbraw/zinc/18/95/69/347189569.db2.gz VHMDNSDLCNQTGT-UHFFFAOYSA-N 1 0 286.331 3.202 20 5 CGBDRO CC[C@@H]([NH2+]CC1(COC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000594508911 347182451 /nfs/dbraw/zinc/18/24/51/347182451.db2.gz DGBSSOPGCHNAOT-CQSZACIVSA-N 1 0 278.352 3.062 20 5 CGBDRO CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C1 ZINC000594518224 347187261 /nfs/dbraw/zinc/18/72/61/347187261.db2.gz NCWUHRAJFWABMR-JOCQHMNTSA-N 1 0 278.352 3.031 20 5 CGBDRO CC[C@@H]([NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)[C@@H]1CCCCO1 ZINC000594518630 347187314 /nfs/dbraw/zinc/18/73/14/347187314.db2.gz IKVUCQJFESBTCV-ZBFHGGJFSA-N 1 0 292.379 3.341 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCSC1 ZINC000594522572 347189087 /nfs/dbraw/zinc/18/90/87/347189087.db2.gz LXPDERQUXOOLAI-SMDDNHRTSA-N 1 0 292.404 3.315 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000594995510 347251839 /nfs/dbraw/zinc/25/18/39/347251839.db2.gz MXXUAPIBUKUFCG-HYVNUMGLSA-N 1 0 298.317 3.162 20 5 CGBDRO COCc1csc(C[NH2+]Cc2cccc([N+](=O)[O-])c2)c1 ZINC000594919078 347229614 /nfs/dbraw/zinc/22/96/14/347229614.db2.gz WNDYRJMFFYJEFN-UHFFFAOYSA-N 1 0 292.360 3.093 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CO1 ZINC000594935268 347234130 /nfs/dbraw/zinc/23/41/30/347234130.db2.gz FJXSNQHSECODIP-FPMFFAJLSA-N 1 0 278.352 3.121 20 5 CGBDRO Cc1ccc(C[NH2+]CCCOC(C)(C)C)cc1[N+](=O)[O-] ZINC000594977484 347246962 /nfs/dbraw/zinc/24/69/62/347246962.db2.gz RJFUANJKGCSBMQ-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO Cc1noc(C[N@H+](C2CC2)C2CCC(C)CC2)c1[N+](=O)[O-] ZINC000595296139 347288419 /nfs/dbraw/zinc/28/84/19/347288419.db2.gz JHPYUIUFPWPZGN-UHFFFAOYSA-N 1 0 293.367 3.434 20 5 CGBDRO Cc1noc(C[N@H+]2CC[C@H](C)[C@@H]3CCCC[C@H]32)c1[N+](=O)[O-] ZINC000595297255 347288603 /nfs/dbraw/zinc/28/86/03/347288603.db2.gz KZJRHPJKQUFNKI-WCFLWFBJSA-N 1 0 293.367 3.292 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCS1 ZINC000595011761 347256386 /nfs/dbraw/zinc/25/63/86/347256386.db2.gz DJKBJKPSNAOEDU-ZYHUDNBSSA-N 1 0 296.392 3.150 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CSC1(C)C ZINC000595039088 347265700 /nfs/dbraw/zinc/26/57/00/347265700.db2.gz NFZJGRUOKLXHMR-RNCFNFMXSA-N 1 0 296.392 3.148 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1C[C@H]1C1CCC1 ZINC000595046153 347268079 /nfs/dbraw/zinc/26/80/79/347268079.db2.gz YCPSYDNVWOZZRD-WKPIXPDZSA-N 1 0 290.363 3.443 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1(C)CC1 ZINC000595052892 347271062 /nfs/dbraw/zinc/27/10/62/347271062.db2.gz JOEPKTXECNXQQB-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO CC[C@H](C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000595071205 347276885 /nfs/dbraw/zinc/27/68/85/347276885.db2.gz BFVYWSJSLGBSFS-MJBXVCDLSA-N 1 0 294.399 3.301 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1ccoc1 ZINC000595092504 347281123 /nfs/dbraw/zinc/28/11/23/347281123.db2.gz YIPNUIUOVFLBLP-CYBMUJFWSA-N 1 0 288.347 3.341 20 5 CGBDRO CC[C@H](C)[N@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595593042 347322913 /nfs/dbraw/zinc/32/29/13/347322913.db2.gz MOFSSEYDOUICSY-LBPRGKRZSA-N 1 0 296.367 3.103 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000595919097 347372892 /nfs/dbraw/zinc/37/28/92/347372892.db2.gz HRYVXUGVGUBDAD-BZUNDVKYSA-N 1 0 260.337 3.449 20 5 CGBDRO Cc1cc(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c([N+](=O)[O-])s1 ZINC000596157011 347391711 /nfs/dbraw/zinc/39/17/11/347391711.db2.gz WKYFBRVAPQJIJC-SCZZXKLOSA-N 1 0 281.381 3.002 20 5 CGBDRO CC[NH+](CC)CCSCc1ccc([N+](=O)[O-])c(OC)c1 ZINC000351829872 219219198 /nfs/dbraw/zinc/21/91/98/219219198.db2.gz PKOZKENUIVSVBW-UHFFFAOYSA-N 1 0 298.408 3.178 20 5 CGBDRO C[C@@H](C[NH+]1CCC(C)CC1)Nc1ccc([N+](=O)[O-])s1 ZINC000596488850 347467455 /nfs/dbraw/zinc/46/74/55/347467455.db2.gz SHPXHTHIFUCSHZ-NSHDSACASA-N 1 0 283.397 3.189 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000597222033 347556645 /nfs/dbraw/zinc/55/66/45/347556645.db2.gz BBCNEVDBILMXHV-UZSWLCPZSA-N 1 0 272.348 3.340 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CC1(F)F)c1cccc([N+](=O)[O-])c1 ZINC000598679041 347678009 /nfs/dbraw/zinc/67/80/09/347678009.db2.gz DDYUMILDYLRTET-MWLCHTKSSA-N 1 0 270.279 3.291 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC2CC=CC2)c(Cl)c1 ZINC000598991710 347704256 /nfs/dbraw/zinc/70/42/56/347704256.db2.gz CFFKPRXFTNQNGL-UHFFFAOYSA-N 1 0 266.728 3.304 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)C[C@H]2C[C@H]2C1 ZINC000599005782 347706345 /nfs/dbraw/zinc/70/63/45/347706345.db2.gz TVJWFPCNZYIKIE-JYAVWHMHSA-N 1 0 278.327 3.260 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1CC=CC1 ZINC000599063343 347713012 /nfs/dbraw/zinc/71/30/12/347713012.db2.gz BMJPYSKTPIGYRF-CYBMUJFWSA-N 1 0 274.364 3.472 20 5 CGBDRO C[N@@H+]1CCCC[C@H](CNc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000599140578 347720529 /nfs/dbraw/zinc/72/05/29/347720529.db2.gz VXWPAYLWHWPAIF-SNVBAGLBSA-N 1 0 299.321 3.017 20 5 CGBDRO O=[N+]([O-])c1cccc(F)c1NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000599164044 347722756 /nfs/dbraw/zinc/72/27/56/347722756.db2.gz IPMLQVHNSTYQIH-LBPRGKRZSA-N 1 0 293.342 3.163 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCCC(F)(F)CC2)c1 ZINC000599552207 347753515 /nfs/dbraw/zinc/75/35/15/347753515.db2.gz XNCJECHKDDRRIU-UHFFFAOYSA-N 1 0 270.279 3.216 20 5 CGBDRO C[C@@H]1CC(F)(F)CCN1Cc1cccc([N+](=O)[O-])c1 ZINC000599622620 347758738 /nfs/dbraw/zinc/75/87/38/347758738.db2.gz LHAXSGBZKQNHPL-SNVBAGLBSA-N 1 0 270.279 3.214 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)CC2(C)COC2)cc1[N+](=O)[O-] ZINC000600190840 347791890 /nfs/dbraw/zinc/79/18/90/347791890.db2.gz NFNBDIVSRYQFMU-UHFFFAOYSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+][C@H]2CCCC23CC3)cs1 ZINC000601138693 347873984 /nfs/dbraw/zinc/87/39/84/347873984.db2.gz WLOKJOWROHOYSE-JTQLQIEISA-N 1 0 252.339 3.079 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CCCOC2CCCC2)cc1 ZINC000602532265 347976561 /nfs/dbraw/zinc/97/65/61/347976561.db2.gz LJAFQRSONJCIER-UHFFFAOYSA-N 1 0 292.379 3.076 20 5 CGBDRO CC[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CC1 ZINC000602717710 348016489 /nfs/dbraw/zinc/01/64/89/348016489.db2.gz MTTRZVWQSHFVNP-LLVKDONJSA-N 1 0 275.308 3.014 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@]23C[C@H]2CCCC3)cc1 ZINC000602730405 348020434 /nfs/dbraw/zinc/02/04/34/348020434.db2.gz BYQLERQHLDXLRN-UKRRQHHQSA-N 1 0 260.337 3.060 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+][C@@]34C[C@@H]3CCCC4)nc2c1 ZINC000602733152 348021099 /nfs/dbraw/zinc/02/10/99/348021099.db2.gz VFEBGZFZAPXUEP-BONVTDFDSA-N 1 0 287.319 3.158 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH+]2CCc3ccccc3CC2)cc1 ZINC000609705597 348351457 /nfs/dbraw/zinc/35/14/57/348351457.db2.gz ZHHOQQNYTDUUBV-UHFFFAOYSA-N 1 0 296.370 3.238 20 5 CGBDRO CC[NH+](CC)CC1CCN(c2ccsc2[N+](=O)[O-])CC1 ZINC000610273139 348370395 /nfs/dbraw/zinc/37/03/95/348370395.db2.gz DLNIPOFBWGZWLJ-UHFFFAOYSA-N 1 0 297.424 3.215 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCC(C)C ZINC000610476222 348383945 /nfs/dbraw/zinc/38/39/45/348383945.db2.gz GYZTYCYIMCXCKF-UHFFFAOYSA-N 1 0 280.368 3.471 20 5 CGBDRO CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000610953939 348411347 /nfs/dbraw/zinc/41/13/47/348411347.db2.gz HOLVKPCKUZLHAN-FRRDWIJNSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)C(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000610581393 348391397 /nfs/dbraw/zinc/39/13/97/348391397.db2.gz QGBVMBHFEXJRHI-UHFFFAOYSA-N 1 0 277.324 3.260 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[NH+]2C[C@H]3CCC[C@@H]3C2)cc1 ZINC000610682722 348396115 /nfs/dbraw/zinc/39/61/15/348396115.db2.gz NMRUPRUCUFLZHO-ZIAGYGMSSA-N 1 0 290.363 3.096 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4CCC[C@H]43)nc2c1 ZINC000614600962 348685292 /nfs/dbraw/zinc/68/52/92/348685292.db2.gz VGGHNPRAMPNIIM-ZWNOBZJWSA-N 1 0 287.319 3.110 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000358194948 233077238 /nfs/dbraw/zinc/07/72/38/233077238.db2.gz UEZVPURUIUCGFJ-MNOVXSKESA-N 1 0 266.366 3.059 20 5 CGBDRO C[C@H](CC1CCC1)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000618618922 349125533 /nfs/dbraw/zinc/12/55/33/349125533.db2.gz RGRASNVRZXNPPV-SNVBAGLBSA-N 1 0 288.351 3.139 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC(C)C ZINC000619531101 349257190 /nfs/dbraw/zinc/25/71/90/349257190.db2.gz AGQTVAMRZYBWKU-UHFFFAOYSA-N 1 0 266.341 3.081 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000271330442 191077107 /nfs/dbraw/zinc/07/71/07/191077107.db2.gz CGPJPNICROFHDP-XBFCOCLRSA-N 1 0 292.379 3.369 20 5 CGBDRO COC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000112989628 186547324 /nfs/dbraw/zinc/54/73/24/186547324.db2.gz ZVAHHBFQLDTEIP-OLZOCXBDSA-N 1 0 278.352 3.014 20 5 CGBDRO COc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000122718034 187047513 /nfs/dbraw/zinc/04/75/13/187047513.db2.gz ISWIYKCYGWTBAC-RYUDHWBXSA-N 1 0 278.352 3.081 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000271511428 191183188 /nfs/dbraw/zinc/18/31/88/191183188.db2.gz NESJDDLHLDOHKC-VNHYZAJKSA-N 1 0 292.379 3.073 20 5 CGBDRO CC(C)([NH2+]CCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000292159256 198185187 /nfs/dbraw/zinc/18/51/87/198185187.db2.gz OICVOLWHUOPCND-UHFFFAOYSA-N 1 0 276.258 3.372 20 5 CGBDRO CC1(C)C[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000049963828 137912000 /nfs/dbraw/zinc/91/20/00/137912000.db2.gz NJZQTDIHJRBYOQ-NSHDSACASA-N 1 0 254.717 3.136 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@H](CC)COC)cc1[N+](=O)[O-] ZINC000153900928 188110738 /nfs/dbraw/zinc/11/07/38/188110738.db2.gz QHNRONUUQBDFLQ-DGCLKSJQSA-N 1 0 296.367 3.069 20 5 CGBDRO Cc1c([C@H](C)[NH2+]Cc2cccc(O)c2)cccc1[N+](=O)[O-] ZINC000154421386 188141231 /nfs/dbraw/zinc/14/12/31/188141231.db2.gz UBDJBJWEVDJFQA-LBPRGKRZSA-N 1 0 286.331 3.460 20 5 CGBDRO CCC[NH+]1CCC(Nc2cccc(C)c2[N+](=O)[O-])CC1 ZINC000218829807 138493270 /nfs/dbraw/zinc/49/32/70/138493270.db2.gz MZZCIWNCVXGBIW-UHFFFAOYSA-N 1 0 277.368 3.190 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2C[C@H]2C2CCC2)cc1 ZINC000424176728 236128432 /nfs/dbraw/zinc/12/84/32/236128432.db2.gz SNLZJNJUKZXOHQ-ZFWWWQNUSA-N 1 0 260.337 3.121 20 5 CGBDRO C[C@H]([NH2+][C@@H]1C[C@H]1C1CCC1)c1cccc([N+](=O)[O-])c1 ZINC000424323736 236149643 /nfs/dbraw/zinc/14/96/43/236149643.db2.gz JHNWVIIXTBFIDX-NZVBXONLSA-N 1 0 260.337 3.434 20 5 CGBDRO C[C@H]([N@H+](C)CCOc1ccc([N+](=O)[O-])cc1)C1(C)CC1 ZINC000437517281 237292849 /nfs/dbraw/zinc/29/28/49/237292849.db2.gz QJXJRGDQCJVDRB-LBPRGKRZSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1c(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cccc1[N+](=O)[O-] ZINC000451778431 240358502 /nfs/dbraw/zinc/35/85/02/240358502.db2.gz JXRZRIDPVVSFSY-CQSZACIVSA-N 1 0 294.395 3.132 20 5 CGBDRO Cc1noc(C)c1CC[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000342292003 216295041 /nfs/dbraw/zinc/29/50/41/216295041.db2.gz HFTPTSDJTIQJCK-JTQLQIEISA-N 1 0 289.335 3.093 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1NCCC[NH+]1CCCCC1 ZINC000301436496 201007678 /nfs/dbraw/zinc/00/76/78/201007678.db2.gz KEOZVYNSURSBDO-UHFFFAOYSA-N 1 0 277.368 3.191 20 5 CGBDRO CN(CC[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1[N+](=O)[O-] ZINC000301475768 201022091 /nfs/dbraw/zinc/02/20/91/201022091.db2.gz WERMVGUUUVDOPT-ZDUSSCGKSA-N 1 0 295.358 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@H+](CC3CCCC3)C2)cc1 ZINC000301482802 201024159 /nfs/dbraw/zinc/02/41/59/201024159.db2.gz XLTSRXJMDOYJIY-HNNXBMFYSA-N 1 0 289.379 3.271 20 5 CGBDRO C[C@H]1CN(C/C=C/c2ccccc2[N+](=O)[O-])CC(C)(C)O1 ZINC000119503504 370681273 /nfs/dbraw/zinc/68/12/73/370681273.db2.gz XBHRFUJHECJSJS-CFNZNRNTSA-N 1 0 290.363 3.107 20 5 CGBDRO CC[N@H+](CCNc1c(F)cc([N+](=O)[O-])cc1F)C(C)C ZINC000301806533 201207726 /nfs/dbraw/zinc/20/77/26/201207726.db2.gz WEERATURTOLEIN-UHFFFAOYSA-N 1 0 287.310 3.015 20 5 CGBDRO C[C@H]1CCCC[C@H]1[NH2+]CCOc1ccccc1[N+](=O)[O-] ZINC000184584060 189390183 /nfs/dbraw/zinc/39/01/83/189390183.db2.gz UQLNGJFPRNIDAY-QWHCGFSZSA-N 1 0 278.352 3.142 20 5 CGBDRO C[C@H](CNc1sccc1[N+](=O)[O-])[N@@H+]1CCC[C@@H](C)C1 ZINC000302006303 201295579 /nfs/dbraw/zinc/29/55/79/201295579.db2.gz VRQHVUWGIIWJGK-GHMZBOCLSA-N 1 0 283.397 3.189 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC=CCC1 ZINC000449109025 239184153 /nfs/dbraw/zinc/18/41/53/239184153.db2.gz WWZQZIRCISMMIY-KGLIPLIRSA-N 1 0 274.364 3.472 20 5 CGBDRO CSC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000449289380 239295784 /nfs/dbraw/zinc/29/57/84/239295784.db2.gz AEBQSWGHYCJGBU-GFCCVEGCSA-N 1 0 294.420 3.401 20 5 CGBDRO C[C@H]1CCC(C)(C)[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000452011941 240393343 /nfs/dbraw/zinc/39/33/43/240393343.db2.gz RLKNAAPYIGOKBY-VIFPVBQESA-N 1 0 254.355 3.419 20 5 CGBDRO CCC1(C)C[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000459628555 242153702 /nfs/dbraw/zinc/15/37/02/242153702.db2.gz CYVFZMCUGLMBCR-SOFGYWHQSA-N 1 0 260.337 3.340 20 5 CGBDRO Cc1ccc(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])nc1C ZINC000459656524 242164750 /nfs/dbraw/zinc/16/47/50/242164750.db2.gz BBWMMKOKOXFWFD-CYBMUJFWSA-N 1 0 299.374 3.327 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCCF)C1CC1 ZINC000462809431 242365408 /nfs/dbraw/zinc/36/54/08/242365408.db2.gz IVFNFGSWJDFDAG-CQSZACIVSA-N 1 0 280.343 3.255 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000466906096 242577993 /nfs/dbraw/zinc/57/79/93/242577993.db2.gz YAMZEGJSZURQEL-OLZOCXBDSA-N 1 0 278.352 3.094 20 5 CGBDRO CCC[C@@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)C1CCCCC1 ZINC000538391914 288569795 /nfs/dbraw/zinc/56/97/95/288569795.db2.gz BDUPQGGVHKDGIU-CQSZACIVSA-N 1 0 294.399 3.130 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CC[C@H](C)C1 ZINC000475550122 242969214 /nfs/dbraw/zinc/96/92/14/242969214.db2.gz UZKYLHORCNYZFL-WCQYABFASA-N 1 0 262.353 3.429 20 5 CGBDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CCOc1ccccc1[N+](=O)[O-] ZINC000481404996 243193693 /nfs/dbraw/zinc/19/36/93/243193693.db2.gz SNTHYFNNWAPWLY-QWHCGFSZSA-N 1 0 278.352 3.094 20 5 CGBDRO CC1=C(C)CN(Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000483365528 243279638 /nfs/dbraw/zinc/27/96/38/243279638.db2.gz KECLEZZIWAITRQ-UHFFFAOYSA-N 1 0 264.300 3.276 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])C[C@@H]1CCC(C)(C)O1 ZINC000330615932 203041920 /nfs/dbraw/zinc/04/19/20/203041920.db2.gz VEZNGGRHBLZYNR-AWEZNQCLSA-N 1 0 292.379 3.027 20 5 CGBDRO CCC[C@@H]([NH2+][C@H](C)COC)c1cccc([N+](=O)[O-])c1 ZINC000020087712 368799119 /nfs/dbraw/zinc/79/91/19/368799119.db2.gz HFLGYNNEJMTIKL-BXUZGUMPSA-N 1 0 266.341 3.061 20 5 CGBDRO CCC[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000033585814 368966587 /nfs/dbraw/zinc/96/65/87/368966587.db2.gz BQSHEIWFPSWBCR-UHFFFAOYSA-N 1 0 260.293 3.354 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccncc1)c1cccc([N+](=O)[O-])c1 ZINC000036721132 369025981 /nfs/dbraw/zinc/02/59/81/369025981.db2.gz AOIJXHXPRHYJPI-HNNXBMFYSA-N 1 0 271.320 3.231 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccccc2F)cc1[N+](=O)[O-] ZINC000034995860 368988155 /nfs/dbraw/zinc/98/81/55/368988155.db2.gz UKCTZNSGFVMHFV-UHFFFAOYSA-N 1 0 274.295 3.332 20 5 CGBDRO CC[NH+]1CCC(Nc2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000035014086 368989644 /nfs/dbraw/zinc/98/96/44/368989644.db2.gz QVSPDVNFNKHERB-UHFFFAOYSA-N 1 0 283.759 3.144 20 5 CGBDRO C[NH+](C)Cc1cccc(NCc2csc([N+](=O)[O-])c2)c1 ZINC000037562845 369089067 /nfs/dbraw/zinc/08/90/67/369089067.db2.gz OOZRIWAXGUVVCG-UHFFFAOYSA-N 1 0 291.376 3.330 20 5 CGBDRO C[C@H]1CCCC[N@@H+]1CCCNCc1csc([N+](=O)[O-])c1 ZINC000037562461 369089147 /nfs/dbraw/zinc/08/91/47/369089147.db2.gz MMJSWOSUNPGPDW-LBPRGKRZSA-N 1 0 297.424 3.010 20 5 CGBDRO C[C@H]1CCC[N@@H+]1Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000037910712 369125235 /nfs/dbraw/zinc/12/52/35/369125235.db2.gz ZSTHNZLECZYMAT-VIFPVBQESA-N 1 0 254.717 3.233 20 5 CGBDRO CCOc1cc(C[N@@H+]2C[C@@H](C)C[C@@H]2C)ccc1[N+](=O)[O-] ZINC000492777717 244023811 /nfs/dbraw/zinc/02/38/11/244023811.db2.gz ZACJVPVWJMQURZ-RYUDHWBXSA-N 1 0 278.352 3.224 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H]1C ZINC000494955970 244335924 /nfs/dbraw/zinc/33/59/24/244335924.db2.gz CXFMBYBRSGSASH-BREBYQMCSA-N 1 0 282.771 3.425 20 5 CGBDRO C[C@H]1c2cccn2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000051960215 369459605 /nfs/dbraw/zinc/45/96/05/369459605.db2.gz RPXGRWLVDUQQJI-ZDUSSCGKSA-N 1 0 285.347 3.016 20 5 CGBDRO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000087043996 370025783 /nfs/dbraw/zinc/02/57/83/370025783.db2.gz CEVGJCPIDQXOSN-UYJPIKCFSA-N 1 0 292.379 3.187 20 5 CGBDRO CCc1cccnc1[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000507459719 244833756 /nfs/dbraw/zinc/83/37/56/244833756.db2.gz GUTJFAVREDIFLE-ZDUSSCGKSA-N 1 0 299.374 3.446 20 5 CGBDRO Cc1ccc(C[N@@H+]2CCC3(CCC3)C2)cc1[N+](=O)[O-] ZINC000093455848 370134266 /nfs/dbraw/zinc/13/42/66/370134266.db2.gz SMPQLTQCXASTBE-UHFFFAOYSA-N 1 0 260.337 3.279 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2cscn2)cc1[N+](=O)[O-] ZINC000111626533 370401366 /nfs/dbraw/zinc/40/13/66/370401366.db2.gz RFNFKGBWVXDXDJ-NSHDSACASA-N 1 0 291.376 3.253 20 5 CGBDRO C[C@H]1SCCN(Cc2ccc([N+](=O)[O-])c(F)c2)[C@H]1C ZINC000132538655 371182243 /nfs/dbraw/zinc/18/22/43/371182243.db2.gz DIMXVYRTBANLND-VHSXEESVSA-N 1 0 284.356 3.060 20 5 CGBDRO CS[C@H]1CCCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000134593360 371353159 /nfs/dbraw/zinc/35/31/59/371353159.db2.gz FDEIULNNOIFUAW-AWEZNQCLSA-N 1 0 280.393 3.312 20 5 CGBDRO CC(C)OCCC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000135238140 371404340 /nfs/dbraw/zinc/40/43/40/371404340.db2.gz SWFPGVGMWAPCNY-UHFFFAOYSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@H]1CCCC[C@H]1[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136915835 371487615 /nfs/dbraw/zinc/48/76/15/371487615.db2.gz FGZWXQKRKZRDBA-MAZHCROVSA-N 1 0 292.379 3.139 20 5 CGBDRO CCOc1cccc(NCC[N@H+](C)[C@@H](C)CC)c1[N+](=O)[O-] ZINC000220314302 376207440 /nfs/dbraw/zinc/20/74/40/376207440.db2.gz HOTDVMDKGZBMBL-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCS2)cc1[N+](=O)[O-] ZINC000149616826 371529276 /nfs/dbraw/zinc/52/92/76/371529276.db2.gz ADPMXGHSJMWGRF-DGCLKSJQSA-N 1 0 280.393 3.449 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+]Cc1cccnc1)C1CC1 ZINC000151077992 371563594 /nfs/dbraw/zinc/56/35/94/371563594.db2.gz ZFXDVQJQRQWBSO-INIZCTEOSA-N 1 0 297.358 3.101 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCNc1cccc(C)c1[N+](=O)[O-] ZINC000220326438 376207961 /nfs/dbraw/zinc/20/79/61/376207961.db2.gz JVYRCCADHTZBOU-GFCCVEGCSA-N 1 0 265.357 3.045 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000337320958 214004300 /nfs/dbraw/zinc/00/43/00/214004300.db2.gz PPJZFOIFTDMYKX-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@H](C[C@@H]1CCCO1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000156814288 371996781 /nfs/dbraw/zinc/99/67/81/371996781.db2.gz AKDYKWFEVCDWPF-XUJVJEKNSA-N 1 0 278.352 3.203 20 5 CGBDRO CO[C@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291277966 372151081 /nfs/dbraw/zinc/15/10/81/372151081.db2.gz QZDJQJFFXNRVQW-XHDPSFHLSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CC12CCCC2 ZINC000428538895 372228011 /nfs/dbraw/zinc/22/80/11/372228011.db2.gz RJOGTFRNOWPZQA-CQSZACIVSA-N 1 0 260.337 3.326 20 5 CGBDRO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1[N+](=O)[O-] ZINC000344257949 217122747 /nfs/dbraw/zinc/12/27/47/217122747.db2.gz BEXBBPLPRWNURP-CYBMUJFWSA-N 1 0 292.379 3.234 20 5 CGBDRO CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000344322024 217149726 /nfs/dbraw/zinc/14/97/26/217149726.db2.gz FENAGAJAROUHQF-FZMZJTMJSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H]([NH2+][C@H]1Cc2cccc(O)c2C1)c1ccccc1[N+](=O)[O-] ZINC000429306512 372348446 /nfs/dbraw/zinc/34/84/46/372348446.db2.gz MGGXSIMOEHRROO-YPMHNXCESA-N 1 0 298.342 3.118 20 5 CGBDRO CC(C)[C@H]1C[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CCCO1 ZINC000293361067 372364101 /nfs/dbraw/zinc/36/41/01/372364101.db2.gz ZYLMLZFPSNERAX-XJKSGUPXSA-N 1 0 292.379 3.403 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC1CC1 ZINC000344824665 217323013 /nfs/dbraw/zinc/32/30/13/217323013.db2.gz MHEJDXOPBHGXJV-LCYFTJDESA-N 1 0 290.363 3.014 20 5 CGBDRO CC[NH+](CC)CCSCc1ccc([N+](=O)[O-])cc1 ZINC000174021546 373234110 /nfs/dbraw/zinc/23/41/10/373234110.db2.gz JDVROAOSPLIGGF-UHFFFAOYSA-N 1 0 268.382 3.170 20 5 CGBDRO CC[NH+](CC)CCSCCOc1ccccc1[N+](=O)[O-] ZINC000174020447 373234555 /nfs/dbraw/zinc/23/45/55/373234555.db2.gz ZSUKSTRHJOFSSH-UHFFFAOYSA-N 1 0 298.408 3.049 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1NCC1([NH+](C)C)CCC1 ZINC000444827126 373280694 /nfs/dbraw/zinc/28/06/94/373280694.db2.gz OEHDNULSLLHDNC-UHFFFAOYSA-N 1 0 297.786 3.453 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(Cl)c1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000444826846 373280972 /nfs/dbraw/zinc/28/09/72/373280972.db2.gz IQHIYDZTNZRDMW-GHMZBOCLSA-N 1 0 297.786 3.451 20 5 CGBDRO COc1ccc(C[N@H+](C)[C@H](C)C2(C)CC2)cc1[N+](=O)[O-] ZINC000177252923 373670768 /nfs/dbraw/zinc/67/07/68/373670768.db2.gz BAINBHGTHWJPKH-LLVKDONJSA-N 1 0 278.352 3.224 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000449425569 373699483 /nfs/dbraw/zinc/69/94/83/373699483.db2.gz HVWLEPXSWUATJQ-HMWXGYMHSA-N 1 0 272.348 3.482 20 5 CGBDRO O=[N+]([O-])c1ccc(N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000301403619 373772223 /nfs/dbraw/zinc/77/22/23/373772223.db2.gz SAQZTNQHZSWYCO-ZDUSSCGKSA-N 1 0 275.352 3.024 20 5 CGBDRO CCO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)C[C@H]1C ZINC000449499828 373796216 /nfs/dbraw/zinc/79/62/16/373796216.db2.gz MIBDFRYRCIWOFG-CZUORRHYSA-N 1 0 292.379 3.150 20 5 CGBDRO COC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1[N+](=O)[O-] ZINC000449761542 373890211 /nfs/dbraw/zinc/89/02/11/373890211.db2.gz YMGXDKGPZQRIGC-PMGBHYCQSA-N 1 0 290.363 3.109 20 5 CGBDRO COC[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2[N+](=O)[O-])CC1 ZINC000452073053 374226259 /nfs/dbraw/zinc/22/62/59/374226259.db2.gz ALLVMIFVLGNNTM-UONOGXRCSA-N 1 0 292.379 3.404 20 5 CGBDRO COc1ccc(C[NH2+][C@@H](C(C)C)C2CC2)cc1[N+](=O)[O-] ZINC000324447081 374356152 /nfs/dbraw/zinc/35/61/52/374356152.db2.gz WKMIOBSZRJILSU-HNNXBMFYSA-N 1 0 278.352 3.128 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331545003 374543186 /nfs/dbraw/zinc/54/31/86/374543186.db2.gz SOPHVQSQQZYUBU-WDEREUQCSA-N 1 0 288.351 3.092 20 5 CGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)CC1(O)CCCCCC1 ZINC000187361522 375009176 /nfs/dbraw/zinc/00/91/76/375009176.db2.gz DXANOHIPVVNIPI-UHFFFAOYSA-N 1 0 298.408 3.173 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C2(C3CC3)CC2)cc1[N+](=O)[O-] ZINC000537452719 376170260 /nfs/dbraw/zinc/17/02/60/376170260.db2.gz XQGQWOHOIONLAJ-NSHDSACASA-N 1 0 260.337 3.496 20 5 CGBDRO CCSCCC[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000337260307 376172850 /nfs/dbraw/zinc/17/28/50/376172850.db2.gz PPPDVMUPPWTQHY-YVMONPNESA-N 1 0 280.393 3.341 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000537632590 376187392 /nfs/dbraw/zinc/18/73/92/376187392.db2.gz FFVDQUCUHVEVOI-OKILXGFUSA-N 1 0 290.363 3.081 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CC2(C)CCOCC2)cc1[N+](=O)[O-] ZINC000222231595 376231626 /nfs/dbraw/zinc/23/16/26/376231626.db2.gz XJYSHXUAZNPRGY-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000222677475 376240653 /nfs/dbraw/zinc/24/06/53/376240653.db2.gz GUSKUJRWSGINMV-ARFHVFGLSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)c1ccsc1)c1ccc([N+](=O)[O-])cc1 ZINC000223928943 376268858 /nfs/dbraw/zinc/26/88/58/376268858.db2.gz NUJLQKSFRNCRRM-IINYFYTJSA-N 1 0 292.360 3.041 20 5 CGBDRO CC(C)([NH2+]C/C=C\c1ccccc1[N+](=O)[O-])C1CC1 ZINC000539528121 376317201 /nfs/dbraw/zinc/31/72/01/376317201.db2.gz BHVBWUVDWXDAJB-ALCCZGGFSA-N 1 0 260.337 3.386 20 5 CGBDRO CCC1(C[NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CCC1 ZINC000227762746 376409088 /nfs/dbraw/zinc/40/90/88/376409088.db2.gz DNNZOVPFSAFFRH-UHFFFAOYSA-N 1 0 278.352 3.273 20 5 CGBDRO C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)[C@@H]1C ZINC000541073098 376419397 /nfs/dbraw/zinc/41/93/97/376419397.db2.gz YQNIYONJFSPZQJ-NXEZZACHSA-N 1 0 268.744 3.479 20 5 CGBDRO C[C@H]1CC(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@H](C)O1 ZINC000338474900 376386539 /nfs/dbraw/zinc/38/65/39/376386539.db2.gz MJCQFWAFMCPGLO-QWRGUYRKSA-N 1 0 298.408 3.340 20 5 CGBDRO CC[N@H+](CCNc1cccc(C)c1[N+](=O)[O-])C(C)C ZINC000338661504 376469047 /nfs/dbraw/zinc/46/90/47/376469047.db2.gz IKPKXGNIGWPTKB-UHFFFAOYSA-N 1 0 265.357 3.045 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CC[C@@H]2CCCCO2)c(Cl)c1 ZINC000230147960 376485850 /nfs/dbraw/zinc/48/58/50/376485850.db2.gz GIKHAYYHSWWFCN-ZDUSSCGKSA-N 1 0 298.770 3.297 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000245513326 376838886 /nfs/dbraw/zinc/83/88/86/376838886.db2.gz ACUQHHBQUZXZGH-ZIAGYGMSSA-N 1 0 292.379 3.323 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC23CCC(CC2)C3)cs1 ZINC000339791786 376850192 /nfs/dbraw/zinc/85/01/92/376850192.db2.gz HISOWDSARXLUSN-UHFFFAOYSA-N 1 0 266.366 3.326 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000556921607 376906268 /nfs/dbraw/zinc/90/62/68/376906268.db2.gz QCXJXWLCTNPOON-IHRRRGAJSA-N 1 0 292.379 3.226 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CSC1(C)C ZINC000558972523 377058434 /nfs/dbraw/zinc/05/84/34/377058434.db2.gz BEDDISLUHUDKTG-GXFFZTMASA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2CCO)cc1[N+](=O)[O-] ZINC000250139121 377553984 /nfs/dbraw/zinc/55/39/84/377553984.db2.gz YQBQBAPOMSYCET-YDHLFZDLSA-N 1 0 292.379 3.105 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1ccc([N+](=O)[O-])cc1 ZINC000563968177 322016949 /nfs/dbraw/zinc/01/69/49/322016949.db2.gz ZKBNCHUOQHNACM-LBPRGKRZSA-N 1 0 265.357 3.127 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000254986779 377720183 /nfs/dbraw/zinc/72/01/83/377720183.db2.gz ZXTGVXGPAQWWSC-NCKMRVBPSA-N 1 0 272.348 3.340 20 5 CGBDRO CC[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000255144359 377737129 /nfs/dbraw/zinc/73/71/29/377737129.db2.gz JGIYKVRDQFAIPB-KKTNHOPESA-N 1 0 290.363 3.109 20 5 CGBDRO C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CC1CCC1 ZINC000255765991 377779492 /nfs/dbraw/zinc/77/94/92/377779492.db2.gz BTNUNBDXNWLRRB-UITAMQMPSA-N 1 0 260.337 3.340 20 5 CGBDRO CCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CCOCC1 ZINC000267382062 378037855 /nfs/dbraw/zinc/03/78/55/378037855.db2.gz AWPVLAHACIAVDI-ZDUSSCGKSA-N 1 0 292.379 3.452 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CS[C@H](C)C1 ZINC000578976380 378118960 /nfs/dbraw/zinc/11/89/60/378118960.db2.gz BHRSFLYKPDPHJU-WOPDTQHZSA-N 1 0 280.393 3.448 20 5 CGBDRO CCC[N@@H+]1CCC[C@H]1CNc1c(F)cccc1[N+](=O)[O-] ZINC000343907985 378131074 /nfs/dbraw/zinc/13/10/74/378131074.db2.gz GUROLNBZXKXURX-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000271967033 378531526 /nfs/dbraw/zinc/53/15/26/378531526.db2.gz HEOMSNPGELSKAF-HUUCEWRRSA-N 1 0 292.379 3.278 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)[C@@H]2CCC[C@@H]2O)cc1[N+](=O)[O-] ZINC000348561775 378995394 /nfs/dbraw/zinc/99/53/94/378995394.db2.gz YADMAZMRCZHOKQ-ZBFHGGJFSA-N 1 0 292.379 3.063 20 5 CGBDRO Cc1c([C@@H](C)[NH2+][C@@H](C(C)C)C(C)(C)O)cccc1[N+](=O)[O-] ZINC000276980517 379037358 /nfs/dbraw/zinc/03/73/58/379037358.db2.gz ZAVWVUNANLQDIZ-DOMZBBRYSA-N 1 0 294.395 3.349 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]c(C[NH2+]CC3CCCCC3)nc2c1 ZINC000278742485 194134691 /nfs/dbraw/zinc/13/46/91/194134691.db2.gz RJKRRTUWXNFROY-UHFFFAOYSA-N 1 0 288.351 3.141 20 5 CGBDRO C[C@@H]([NH2+]C[C@H](O)C1CCCCC1)c1ccccc1[N+](=O)[O-] ZINC000266839037 190283714 /nfs/dbraw/zinc/28/37/14/190283714.db2.gz GIQGIMYQVWVUKO-WBMJQRKESA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc(N[C@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000388382790 379886210 /nfs/dbraw/zinc/88/62/10/379886210.db2.gz SGMAAHZMOXELCC-GFCCVEGCSA-N 1 0 265.357 3.044 20 5 CGBDRO Cc1ccc(N[C@H](C)C[N@@H+](C)C(C)C)c([N+](=O)[O-])c1 ZINC000388809238 379890329 /nfs/dbraw/zinc/89/03/29/379890329.db2.gz QEJBRBRIRTXZDF-GFCCVEGCSA-N 1 0 265.357 3.044 20 5 CGBDRO COc1cc(C[N@H+](C)[C@@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000352777927 379954004 /nfs/dbraw/zinc/95/40/04/379954004.db2.gz IKMFJICWKUHZMZ-NSHDSACASA-N 1 0 298.408 3.177 20 5 CGBDRO COc1cc(C[N@H+](C)[C@H](C)CCSC)ccc1[N+](=O)[O-] ZINC000352777926 379954825 /nfs/dbraw/zinc/95/48/25/379954825.db2.gz IKMFJICWKUHZMZ-LLVKDONJSA-N 1 0 298.408 3.177 20 5 CGBDRO C[C@@H]1CC(C)(C)C[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000412043977 380158929 /nfs/dbraw/zinc/15/89/29/380158929.db2.gz OJEMFWWBXPSRML-SNVBAGLBSA-N 1 0 266.316 3.354 20 5 CGBDRO CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1)c1cccnc1 ZINC000414559836 380319873 /nfs/dbraw/zinc/31/98/73/380319873.db2.gz POFDNQZAJOSJEN-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO COC1([C@H](C)[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CCC1 ZINC000414527424 380299727 /nfs/dbraw/zinc/29/97/27/380299727.db2.gz QZUQJLBDDUQRIR-UJZCVKTISA-N 1 0 290.363 3.155 20 5 CGBDRO CC(C)N(CC[NH2+]C(C)(C)C)Cc1ccc([N+](=O)[O-])cc1 ZINC000414690725 380376699 /nfs/dbraw/zinc/37/66/99/380376699.db2.gz NMHSFKLBQPMZEL-UHFFFAOYSA-N 1 0 293.411 3.193 20 5 CGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1C ZINC000418112181 380701774 /nfs/dbraw/zinc/70/17/74/380701774.db2.gz BADDUBKDVKAPEF-OPRDCNLKSA-N 1 0 254.355 3.133 20 5 CGBDRO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCO1 ZINC000421373902 380913363 /nfs/dbraw/zinc/91/33/63/380913363.db2.gz FFUXPCMPCYBSHN-AEGPPILISA-N 1 0 292.379 3.073 20 5 CGBDRO C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000356932511 380944025 /nfs/dbraw/zinc/94/40/25/380944025.db2.gz YKINQUYMQLIHDN-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO COC1([C@H](C)[NH2+]CCc2ccccc2[N+](=O)[O-])CCCC1 ZINC000421838858 533029283 /nfs/dbraw/zinc/02/92/83/533029283.db2.gz VZJXIGXRTVBZOW-ZDUSSCGKSA-N 1 0 292.379 3.075 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)cc1 ZINC000338002213 285115188 /nfs/dbraw/zinc/11/51/88/285115188.db2.gz UUDLRNKFDRTUJW-HUUCEWRRSA-N 1 0 260.337 3.263 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)C1CCC1 ZINC000353832157 220354954 /nfs/dbraw/zinc/35/49/54/220354954.db2.gz WYFSFVUPJHXVCL-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1COc2ccccc2C1)c1cccc([N+](=O)[O-])c1 ZINC000173362486 533529781 /nfs/dbraw/zinc/52/97/81/533529781.db2.gz PCLKEPMSOSYQGC-DOMZBBRYSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@H](C1CCC1)[N@H+](C)CCOc1ccc([N+](=O)[O-])cc1 ZINC000357028349 533585888 /nfs/dbraw/zinc/58/58/88/533585888.db2.gz UQNGRZCGGGOYIW-GFCCVEGCSA-N 1 0 278.352 3.094 20 5 CGBDRO Cc1c(C[N@H+]2CCSC[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000190466992 130107129 /nfs/dbraw/zinc/10/71/29/130107129.db2.gz IVGBSGZWKHGYEG-NSHDSACASA-N 1 0 280.393 3.088 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](C)[C@@H](C)OC)c1cccc([N+](=O)[O-])c1 ZINC000191651836 130271271 /nfs/dbraw/zinc/27/12/71/130271271.db2.gz CGWQKJBGFDMTDB-MISXGVKJSA-N 1 0 266.341 3.059 20 5 CGBDRO Cc1ccc(C[N@H+]2CCSCC[C@H]2C)cc1[N+](=O)[O-] ZINC000191810623 130308046 /nfs/dbraw/zinc/30/80/46/130308046.db2.gz LIAIMTIDFGSBOH-GFCCVEGCSA-N 1 0 280.393 3.231 20 5 CGBDRO CC[C@@H]([NH2+]C[C@H]1CCCN1CC)c1cccc([N+](=O)[O-])c1 ZINC000036721112 391976879 /nfs/dbraw/zinc/97/68/79/391976879.db2.gz XAOGTAARJYYFEG-HZPDHXFCSA-N 1 0 291.395 3.120 20 5 CGBDRO C[C@H](C1CC1)[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC1 ZINC000051881909 392073898 /nfs/dbraw/zinc/07/38/98/392073898.db2.gz JYRISGFIMWQURH-GFCCVEGCSA-N 1 0 290.363 3.237 20 5 CGBDRO Cc1ccc(N[C@@H](C)C[NH+]2CCCCC2)c([N+](=O)[O-])c1 ZINC000049502238 392052081 /nfs/dbraw/zinc/05/20/81/392052081.db2.gz ZMIRKSOSRKDBAV-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000281967790 392265137 /nfs/dbraw/zinc/26/51/37/392265137.db2.gz BJGHKDISOIGHGA-SNPRPXQTSA-N 1 0 260.337 3.263 20 5 CGBDRO C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ccc([N+](=O)[O-])cc1 ZINC000105447658 392289583 /nfs/dbraw/zinc/28/95/83/392289583.db2.gz GLQPNPPQASOFJG-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO Cc1cc(N2CCC[C@@H]2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181515812 392732249 /nfs/dbraw/zinc/73/22/49/392732249.db2.gz UHGQGFANHHWAIS-NSHDSACASA-N 1 0 271.320 3.440 20 5 CGBDRO CCCC[N@H+](CCO)Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000505842818 392701369 /nfs/dbraw/zinc/70/13/69/392701369.db2.gz QRXQTIIGUGIXMV-UHFFFAOYSA-N 1 0 294.395 3.313 20 5 CGBDRO CC(C)O[C@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000404573292 392967666 /nfs/dbraw/zinc/96/76/66/392967666.db2.gz JIMSQXRTVFVRKU-AWEZNQCLSA-N 1 0 296.342 3.123 20 5 CGBDRO CO[C@](C)([C@@H](C)[NH2+]Cc1c(F)cccc1[N+](=O)[O-])C1CC1 ZINC000411956406 392991023 /nfs/dbraw/zinc/99/10/23/392991023.db2.gz VKCCZJNQEREXSR-MEBBXXQBSA-N 1 0 296.342 3.027 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CC[C@H]1CCCO1 ZINC000342609578 393003223 /nfs/dbraw/zinc/00/32/23/393003223.db2.gz VBNRUJXIAIXJQJ-DZGCQCFKSA-N 1 0 292.379 3.465 20 5 CGBDRO CC[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000346801873 393093908 /nfs/dbraw/zinc/09/39/08/393093908.db2.gz CNHHTOLAQIDWII-UHOFOFEASA-N 1 0 291.395 3.118 20 5 CGBDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CCCOc1ccc([N+](=O)[O-])cc1 ZINC000466936599 393074480 /nfs/dbraw/zinc/07/44/80/393074480.db2.gz UAXAGTAOXXHVSE-UONOGXRCSA-N 1 0 292.379 3.484 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccc([N+](=O)[O-])c1 ZINC000251169545 393117248 /nfs/dbraw/zinc/11/72/48/393117248.db2.gz PNTKOSFABCHBKY-HRCADAONSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC[C@](C)(O)C[NH2+]C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000468627523 393154857 /nfs/dbraw/zinc/15/48/57/393154857.db2.gz AVGCWDAEOFNITF-OVHOFWQVSA-N 1 0 292.379 3.139 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C1CC(C)C1 ZINC000468749073 393160188 /nfs/dbraw/zinc/16/01/88/393160188.db2.gz HUQPVPCQRPVQLZ-SDQBBNPISA-N 1 0 260.337 3.386 20 5 CGBDRO CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)CCO1 ZINC000272042957 393257422 /nfs/dbraw/zinc/25/74/22/393257422.db2.gz WNLLANSQAKJUCP-GDBMZVCRSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470171748 393229261 /nfs/dbraw/zinc/22/92/61/393229261.db2.gz NYSNDRVEPOOTPA-XFXZXTDPSA-N 1 0 260.337 3.482 20 5 CGBDRO CSCC[N@H+](C)C/C(C)=C\c1cccc([N+](=O)[O-])c1 ZINC000470170252 393229940 /nfs/dbraw/zinc/22/99/40/393229940.db2.gz RAQYPGGADCJOEP-XFXZXTDPSA-N 1 0 280.393 3.293 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+](C)CC1CC1 ZINC000470174111 393230095 /nfs/dbraw/zinc/23/00/95/393230095.db2.gz QMKLEUPBQJKNEX-XYOKQWHBSA-N 1 0 260.337 3.340 20 5 CGBDRO CO[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C)C(C)C ZINC000268990387 393215025 /nfs/dbraw/zinc/21/50/25/393215025.db2.gz RAWITUQYLMHHCH-SWLSCSKDSA-N 1 0 280.368 3.225 20 5 CGBDRO CO[C@H](CC(C)C)C[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000419189078 393364663 /nfs/dbraw/zinc/36/46/63/393364663.db2.gz HGAAHRBOGHBWHC-CQSZACIVSA-N 1 0 280.368 3.088 20 5 CGBDRO [NH3+][C@@H]1CCC[C@H](CNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000420274300 393447400 /nfs/dbraw/zinc/44/74/00/393447400.db2.gz FKAKLVBKWYNQMG-VHSXEESVSA-N 1 0 283.759 3.178 20 5 CGBDRO CCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1OC)CC1CC1 ZINC000430220787 393542347 /nfs/dbraw/zinc/54/23/47/393542347.db2.gz RLWZHQLWQVZZJK-UHFFFAOYSA-N 1 0 278.352 3.225 20 5 CGBDRO C[NH+](C)C1CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000420621949 393508663 /nfs/dbraw/zinc/50/86/63/393508663.db2.gz DTVDGVLESFUPPV-UHFFFAOYSA-N 1 0 281.331 3.019 20 5 CGBDRO CC[C@H]1[C@H](C)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1OC ZINC000430199449 393537965 /nfs/dbraw/zinc/53/79/65/393537965.db2.gz BTILUBZOXGPUKI-RISCZKNCSA-N 1 0 278.352 3.224 20 5 CGBDRO C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1(C)CCCC1 ZINC000489823814 393615609 /nfs/dbraw/zinc/61/56/09/393615609.db2.gz DMDDRFWMRXHNBH-UHFFFAOYSA-N 1 0 266.316 3.498 20 5 CGBDRO COc1ccc(C[N@H+](C)C2(C)CCCC2)cc1[N+](=O)[O-] ZINC000489892514 393620735 /nfs/dbraw/zinc/62/07/35/393620735.db2.gz ACCJYZUENYQDAR-UHFFFAOYSA-N 1 0 278.352 3.368 20 5 CGBDRO C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc([N+](=O)[O-])cc1 ZINC000423146922 393652341 /nfs/dbraw/zinc/65/23/41/393652341.db2.gz QONVDXKQFRAWPW-GOPGUHFVSA-N 1 0 297.358 3.390 20 5 CGBDRO CCCC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OCC)c1 ZINC000492358775 393723158 /nfs/dbraw/zinc/72/31/58/393723158.db2.gz UBAWZTNYFSOMDZ-UHFFFAOYSA-N 1 0 266.341 3.225 20 5 CGBDRO CC(C)C[C@@H]1CCC[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000500461078 393828972 /nfs/dbraw/zinc/82/89/72/393828972.db2.gz JZEGKZCOZMEJFV-AWEZNQCLSA-N 1 0 292.379 3.484 20 5 CGBDRO CC[C@@H](O)[C@H](CC)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000449637672 393931959 /nfs/dbraw/zinc/93/19/59/393931959.db2.gz HHNLLGCYALUDTI-GOEBONIOSA-N 1 0 294.395 3.357 20 5 CGBDRO Cc1ccc(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)nc1 ZINC000453409782 394237816 /nfs/dbraw/zinc/23/78/16/394237816.db2.gz GLGBCQPOGFKWTJ-AWEZNQCLSA-N 1 0 299.374 3.500 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](CO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000120226279 286932353 /nfs/dbraw/zinc/93/23/53/286932353.db2.gz VJGRRHHGQXVRHE-XNRPHZJLSA-N 1 0 292.379 3.187 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000070939102 165064595 /nfs/dbraw/zinc/06/45/95/165064595.db2.gz FXWAEWPKUVRYCR-UHFFFAOYSA-N 1 0 281.315 3.366 20 5 CGBDRO CC[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C1CC1 ZINC000089885566 165221213 /nfs/dbraw/zinc/22/12/13/165221213.db2.gz LQUZTVAAEVSTOA-UHFFFAOYSA-N 1 0 287.319 3.234 20 5 CGBDRO CC[C@@H](CSC)[N@H+](C)Cc1cccc([N+](=O)[O-])c1C ZINC000091097631 165258372 /nfs/dbraw/zinc/25/83/72/165258372.db2.gz SLEJKYWEEFRHGA-ZDUSSCGKSA-N 1 0 282.409 3.477 20 5 CGBDRO CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)c1cccc([N+](=O)[O-])c1 ZINC000163847044 165480916 /nfs/dbraw/zinc/48/09/16/165480916.db2.gz DTVCTBBZILDPNL-KCXAZCMYSA-N 1 0 294.395 3.433 20 5 CGBDRO CC[NH+](CC)CCSCc1c(F)cccc1[N+](=O)[O-] ZINC000174024459 165568125 /nfs/dbraw/zinc/56/81/25/165568125.db2.gz KZCNHGWVQGHCMW-UHFFFAOYSA-N 1 0 286.372 3.309 20 5 CGBDRO COCCCCC[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000122709737 287211860 /nfs/dbraw/zinc/21/18/60/287211860.db2.gz UHVOJLGJCDXDTR-ZDUSSCGKSA-N 1 0 280.368 3.371 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000020128034 171014783 /nfs/dbraw/zinc/01/47/83/171014783.db2.gz CPNSEGPCFNMGQA-NEPJUHHUSA-N 1 0 271.320 3.402 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1[N+](=O)[O-] ZINC000020140462 171027086 /nfs/dbraw/zinc/02/70/86/171027086.db2.gz RSNFDWLNFRMXKR-GFCCVEGCSA-N 1 0 271.320 3.149 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCOC2CCCCC2)cc1 ZINC000020191584 171057345 /nfs/dbraw/zinc/05/73/45/171057345.db2.gz OJJUJKHOXFDQBL-UHFFFAOYSA-N 1 0 292.379 3.424 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2[N+](=O)[O-])cc1 ZINC000020525990 171239048 /nfs/dbraw/zinc/23/90/48/171239048.db2.gz KMSQQFCZNRGDEQ-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)c2ccccc2)cc1[N+](=O)[O-] ZINC000020560154 171251478 /nfs/dbraw/zinc/25/14/78/171251478.db2.gz OZTWVOYCUUPUMW-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO CC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000126279530 287260992 /nfs/dbraw/zinc/26/09/92/287260992.db2.gz PURZFAHGOPTZJF-UHFFFAOYSA-N 1 0 260.293 3.307 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284995099 196173945 /nfs/dbraw/zinc/17/39/45/196173945.db2.gz GPJJGSUJNPIECP-GBIKHYSHSA-N 1 0 263.341 3.016 20 5 CGBDRO Cc1c(C[NH2+]Cc2cccs2)cccc1[N+](=O)[O-] ZINC000035648891 172325543 /nfs/dbraw/zinc/32/55/43/172325543.db2.gz CGJSPZRIGKSZPH-UHFFFAOYSA-N 1 0 262.334 3.255 20 5 CGBDRO C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccs1 ZINC000285298336 196244361 /nfs/dbraw/zinc/24/43/61/196244361.db2.gz KXOAQUWYVWUFBJ-UHFFFAOYSA-N 1 0 276.361 3.331 20 5 CGBDRO C[C@@H](c1ccccn1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285368121 196263241 /nfs/dbraw/zinc/26/32/41/196263241.db2.gz QSSFEHPQFBNYTR-ZDUSSCGKSA-N 1 0 285.347 3.225 20 5 CGBDRO CCOc1ccc(C[NH2+]Cc2ccc([N+](=O)[O-])cc2)cc1 ZINC000037668242 173609981 /nfs/dbraw/zinc/60/99/81/173609981.db2.gz ZFRYHFBMNKPTMK-UHFFFAOYSA-N 1 0 286.331 3.283 20 5 CGBDRO CC[C@@H]([NH2+]C1CCN(CC)CC1)c1cccc([N+](=O)[O-])c1 ZINC000038098036 174112786 /nfs/dbraw/zinc/11/27/86/174112786.db2.gz LCEISFPZKNEJNG-MRXNPFEDSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)C(C)C ZINC000042588661 174810061 /nfs/dbraw/zinc/81/00/61/174810061.db2.gz CFXVIVKYJGOPKV-ZDUSSCGKSA-N 1 0 250.342 3.427 20 5 CGBDRO CC(C)CCOCC[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000045093790 175306991 /nfs/dbraw/zinc/30/69/91/175306991.db2.gz FYWGFXBGVFTODT-CYBMUJFWSA-N 1 0 280.368 3.308 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](CC)C1 ZINC000355085790 227384023 /nfs/dbraw/zinc/38/40/23/227384023.db2.gz YSHUYDIOIVBJRD-LBPRGKRZSA-N 1 0 278.352 3.225 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C1CC1 ZINC000449446447 533682758 /nfs/dbraw/zinc/68/27/58/533682758.db2.gz RCOXRDXLVHLBHB-RYUDHWBXSA-N 1 0 262.353 3.304 20 5 CGBDRO Cc1c(C[NH2+]C[C@H]2CC=CCC2)cccc1[N+](=O)[O-] ZINC000045630150 270038624 /nfs/dbraw/zinc/03/86/24/270038624.db2.gz FBRSJNMQOUBGNL-ZDUSSCGKSA-N 1 0 260.337 3.349 20 5 CGBDRO CC(C)=CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000191626589 270075529 /nfs/dbraw/zinc/07/55/29/270075529.db2.gz YPEFSSUPZRXLJG-UHFFFAOYSA-N 1 0 286.278 3.252 20 5 CGBDRO CCC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000523701859 270110566 /nfs/dbraw/zinc/11/05/66/270110566.db2.gz QFOACIUEUQNDSA-UHFFFAOYSA-N 1 0 262.353 3.259 20 5 CGBDRO C[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)[C@H]1C ZINC000525120859 270117078 /nfs/dbraw/zinc/11/70/78/270117078.db2.gz ARIYQEPNDLWBJD-STQMWFEESA-N 1 0 262.353 3.258 20 5 CGBDRO CC[C@H](C)[C@](C)(O)C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000531973653 270211894 /nfs/dbraw/zinc/21/18/94/270211894.db2.gz OTSJDUOVJCIMIS-WOSRLPQWSA-N 1 0 294.395 3.351 20 5 CGBDRO COc1ccc(C[N@H+](CC2CC2)C(C)C)cc1[N+](=O)[O-] ZINC000532665396 270218379 /nfs/dbraw/zinc/21/83/79/270218379.db2.gz NZWLFPNSUQOPND-UHFFFAOYSA-N 1 0 278.352 3.224 20 5 CGBDRO COC(C)(C)C[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449169878 274012011 /nfs/dbraw/zinc/01/20/11/274012011.db2.gz PVLIVZLTVIOZHI-CHWSQXEVSA-N 1 0 294.395 3.319 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)[C@@H]1C ZINC000444647394 274291514 /nfs/dbraw/zinc/29/15/14/274291514.db2.gz FAEJAUOVWFNEIE-GHMZBOCLSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@@H]1CCSCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000276862371 274310097 /nfs/dbraw/zinc/31/00/97/274310097.db2.gz XCXYULRUHVOAHH-SNVBAGLBSA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H]1CC[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000444708518 274311511 /nfs/dbraw/zinc/31/15/11/274311511.db2.gz RKKFWXBQDLDDKZ-GHMZBOCLSA-N 1 0 288.351 3.092 20 5 CGBDRO Cc1cc(N[C@@H]2CCCOC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000228484884 274719270 /nfs/dbraw/zinc/71/92/70/274719270.db2.gz LWJZHAKDKLHVIR-LLVKDONJSA-N 1 0 287.319 3.042 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCCO1)CCC2 ZINC000278274461 275037856 /nfs/dbraw/zinc/03/78/56/275037856.db2.gz PKDVNMKUDWAFGV-ZBFHGGJFSA-N 1 0 290.363 3.131 20 5 CGBDRO CC[C@H](C)[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1C)OC ZINC000449401184 276562056 /nfs/dbraw/zinc/56/20/56/276562056.db2.gz FULZWPNOPCLACY-NHYWBVRUSA-N 1 0 280.368 3.054 20 5 CGBDRO CC[C@H](CCO)[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433271773 276566160 /nfs/dbraw/zinc/56/61/60/276566160.db2.gz NVHGIDUGNFOUQB-IAQYHMDHSA-N 1 0 292.379 3.068 20 5 CGBDRO C[NH+](C)CC1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 ZINC000339024223 276783249 /nfs/dbraw/zinc/78/32/49/276783249.db2.gz XEAHGCFDGNRLCV-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO COCC(C)(C)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000293661102 277480820 /nfs/dbraw/zinc/48/08/20/277480820.db2.gz LZDTYIRUADQEKY-CYBMUJFWSA-N 1 0 294.395 3.178 20 5 CGBDRO CC(C)c1ccc(C[N@@H+]2CCOC[C@H](C)C2)cc1[N+](=O)[O-] ZINC000359869493 278036099 /nfs/dbraw/zinc/03/60/99/278036099.db2.gz IMGXBONLNIIJRA-CYBMUJFWSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H]([NH2+][C@@H](C)c1ccncc1)c1ccccc1[N+](=O)[O-] ZINC000020526137 278365229 /nfs/dbraw/zinc/36/52/29/278365229.db2.gz SJRRSXIYYDVCFQ-NWDGAFQWSA-N 1 0 271.320 3.402 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000037010564 288079224 /nfs/dbraw/zinc/07/92/24/288079224.db2.gz PTPKLKJIEXZCMB-UGFHNGPFSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@H]([NH2+][C@H]1COCC1(C)C)c1cccc([N+](=O)[O-])c1 ZINC000313073306 288092163 /nfs/dbraw/zinc/09/21/63/288092163.db2.gz YPQIRBCNYKETKF-KBPBESRZSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@H]([NH2+][C@H]1CC[C@H](F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000348413075 279546902 /nfs/dbraw/zinc/54/69/02/279546902.db2.gz PEQSXJJFBQFHKL-DLOVCJGASA-N 1 0 252.289 3.136 20 5 CGBDRO O=[N+]([O-])c1ccc(CCCC[NH2+]CC2(F)CC2)cc1 ZINC000527230518 288158474 /nfs/dbraw/zinc/15/84/74/288158474.db2.gz OQCQUMABDRQSEJ-UHFFFAOYSA-N 1 0 266.316 3.009 20 5 CGBDRO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000038096034 280188174 /nfs/dbraw/zinc/18/81/74/280188174.db2.gz RVWHUISVJKMQHY-LSDHHAIUSA-N 1 0 278.352 3.205 20 5 CGBDRO Cc1cc(NC2CCOCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000181460832 280626008 /nfs/dbraw/zinc/62/60/08/280626008.db2.gz FCEMOXBRHSZTDO-UHFFFAOYSA-N 1 0 287.319 3.042 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000418097951 280661059 /nfs/dbraw/zinc/66/10/59/280661059.db2.gz AJKFPKSRQDSGRY-QGZVFWFLSA-N 1 0 298.342 3.264 20 5 CGBDRO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000247112296 280972190 /nfs/dbraw/zinc/97/21/90/280972190.db2.gz ADJXVHYGPFWCKB-BPUTZDHNSA-N 1 0 292.379 3.187 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000541769108 288719698 /nfs/dbraw/zinc/71/96/98/288719698.db2.gz XHTGATTWYPNMKW-VXGBXAGGSA-N 1 0 262.353 3.381 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1cc(OC)ccc1[N+](=O)[O-] ZINC000549200300 289037537 /nfs/dbraw/zinc/03/75/37/289037537.db2.gz ZPBGJHCYHKIXTB-LBPRGKRZSA-N 1 0 295.383 3.136 20 5 CGBDRO Cc1cccc(N2CCC[N@@H+](C(C)(C)C)CC2)c1[N+](=O)[O-] ZINC000549489025 289044958 /nfs/dbraw/zinc/04/49/58/289044958.db2.gz NVMZNJZHKYFPAI-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1ccc([N+](=O)[O-])cc1 ZINC000246881683 290032877 /nfs/dbraw/zinc/03/28/77/290032877.db2.gz DQPYROKXIPDSFJ-CJYSPXJISA-N 1 0 290.363 3.059 20 5 CGBDRO Cc1ccsc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000113711459 321690735 /nfs/dbraw/zinc/69/07/35/321690735.db2.gz RXEKLURNHGRXQL-UHFFFAOYSA-N 1 0 292.360 3.133 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCc1ccc(O)cc1 ZINC000566805631 322138664 /nfs/dbraw/zinc/13/86/64/322138664.db2.gz JLSVIBXCTUHTRZ-MRXNPFEDSA-N 1 0 298.342 3.120 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])c1cc[nH]c(=O)c1 ZINC000567123618 322151462 /nfs/dbraw/zinc/15/14/62/322151462.db2.gz NZIUHVSBXNDEAP-YGRLFVJLSA-N 1 0 299.330 3.034 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000568436737 322209196 /nfs/dbraw/zinc/20/91/96/322209196.db2.gz AUNHVXVDSRHQFD-XAVULWGNSA-N 1 0 278.327 3.478 20 5 CGBDRO C[C@H]1CC[C@@H]([NH2+]CCc2c[nH]c3ccc([N+](=O)[O-])cc23)C1 ZINC000569148274 322236686 /nfs/dbraw/zinc/23/66/86/322236686.db2.gz NKLGHGNSDKROSA-WCQYABFASA-N 1 0 287.363 3.397 20 5 CGBDRO Cc1cnccc1C[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000571135141 322290869 /nfs/dbraw/zinc/29/08/69/322290869.db2.gz NYBNNGOJKAXRFB-UHFFFAOYSA-N 1 0 299.374 3.411 20 5 CGBDRO Cc1c(C[NH2+][C@H]2CCCC23CC3)cccc1[N+](=O)[O-] ZINC000571346023 322296465 /nfs/dbraw/zinc/29/64/65/322296465.db2.gz WOMZRNIZGKILBW-AWEZNQCLSA-N 1 0 260.337 3.326 20 5 CGBDRO C[N@H+](Cc1coc(-c2ccc([N+](=O)[O-])cc2)n1)C(C)(C)C ZINC000572875727 322358965 /nfs/dbraw/zinc/35/89/65/322358965.db2.gz XXEKMQRPNIZNRO-UHFFFAOYSA-N 1 0 289.335 3.480 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(CCO)CC1 ZINC000576609405 335225881 /nfs/dbraw/zinc/22/58/81/335225881.db2.gz QYJUYQVVXHSYOK-CYBMUJFWSA-N 1 0 292.379 3.059 20 5 CGBDRO CC(C)([NH2+]CCc1ccccn1)c1ccccc1[N+](=O)[O-] ZINC000298487195 500604106 /nfs/dbraw/zinc/60/41/06/500604106.db2.gz TVOUPBJHBSTGOD-UHFFFAOYSA-N 1 0 285.347 3.057 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@H]1C ZINC000357718594 500894857 /nfs/dbraw/zinc/89/48/57/500894857.db2.gz WRZOIFGHMPNLHN-MNOVXSKESA-N 1 0 266.316 3.354 20 5 CGBDRO CS[C@@H](C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000090725242 533923222 /nfs/dbraw/zinc/92/32/22/533923222.db2.gz QCUWPXBODIRQMI-FZMZJTMJSA-N 1 0 294.420 3.257 20 5 CGBDRO C[C@@H]1CC[C@@H]([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000436403359 534188898 /nfs/dbraw/zinc/18/88/98/534188898.db2.gz AJEHFAYVXAKGOQ-FAQJLRJSSA-N 1 0 260.337 3.386 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1CCSCC1 ZINC000449145769 534254251 /nfs/dbraw/zinc/25/42/51/534254251.db2.gz LXOMYJWXHSEDMH-LBPRGKRZSA-N 1 0 294.420 3.259 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1csc([N+](=O)[O-])c1 ZINC000094266122 520350436 /nfs/dbraw/zinc/35/04/36/520350436.db2.gz POLOYHUYXQRQDH-JTQLQIEISA-N 1 0 254.355 3.325 20 5 CGBDRO CCO[C@H]1C[C@@H]([NH2+]Cc2ccc([N+](=O)[O-])cc2)C12CCC2 ZINC000087710184 520550230 /nfs/dbraw/zinc/55/02/30/520550230.db2.gz RKYOSAJPNYCLBV-CABCVRRESA-N 1 0 290.363 3.032 20 5 CGBDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000161202503 521595802 /nfs/dbraw/zinc/59/58/02/521595802.db2.gz XATXJABEOLYQLL-XJKSGUPXSA-N 1 0 291.395 3.120 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)ccc1C[NH2+]C1CCCC1 ZINC000050443012 527332299 /nfs/dbraw/zinc/33/22/99/527332299.db2.gz SYAPPMQFJFTOQW-UHFFFAOYSA-N 1 0 254.717 3.280 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[C@H]2C2CCC2)cc1 ZINC000338002209 527352578 /nfs/dbraw/zinc/35/25/78/527352578.db2.gz UUDLRNKFDRTUJW-GJZGRUSLSA-N 1 0 260.337 3.263 20 5 CGBDRO CC/C=C/C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000449450430 528788252 /nfs/dbraw/zinc/78/82/52/528788252.db2.gz BJKLKBHGTGNMBB-WXJAXGNASA-N 1 0 262.353 3.472 20 5 CGBDRO CCCC[C@H](C[NH3+])N[C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000423294697 528955913 /nfs/dbraw/zinc/95/59/13/528955913.db2.gz CSTDHIVGUAZQHD-QWHCGFSZSA-N 1 0 279.384 3.071 20 5 CGBDRO CCC(C)(C)[N@H+](C)CCCOc1ccc([N+](=O)[O-])cc1 ZINC000512281166 535355586 /nfs/dbraw/zinc/35/55/86/535355586.db2.gz JHIFQPHOQRLHKS-UHFFFAOYSA-N 1 0 280.368 3.484 20 5 CGBDRO CC(C)CC[NH+](CCC(C)C)CCn1ccc([N+](=O)[O-])n1 ZINC000478412967 535384874 /nfs/dbraw/zinc/38/48/74/535384874.db2.gz AKNMSVFCGQUEHC-UHFFFAOYSA-N 1 0 296.415 3.186 20 5 CGBDRO COc1cc(C[NH2+][C@@H]2CCC23CCCC3)ccc1[N+](=O)[O-] ZINC000451459965 536808676 /nfs/dbraw/zinc/80/86/76/536808676.db2.gz QSNKLTOKJHUADK-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO CCC[N@H+](CC)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000746663047 572889539 /nfs/dbraw/zinc/88/95/39/572889539.db2.gz MUWKTUSHKMHZFJ-UHFFFAOYSA-N 1 0 256.733 3.480 20 5 CGBDRO C[C@H]1CSCCC[N@@H+]1Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000934298555 618581637 /nfs/dbraw/zinc/58/16/37/618581637.db2.gz KSCVNMJUYPSORF-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO CSC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1[N+](=O)[O-] ZINC000178565651 619291056 /nfs/dbraw/zinc/29/10/56/619291056.db2.gz BQSCBLQCPKWFRA-GFCCVEGCSA-N 1 0 284.356 3.061 20 5 CGBDRO CC[C@H]1CC[C@@H](C)[N@@H+]1Cc1ccc(O)c(OC)c1[N+](=O)[O-] ZINC000894498952 619554233 /nfs/dbraw/zinc/55/42/33/619554233.db2.gz MIRCELAJBQCHFX-PWSUYJOCSA-N 1 0 294.351 3.072 20 5 CGBDRO CS[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000896510117 620015695 /nfs/dbraw/zinc/01/56/95/620015695.db2.gz LCKXEUSFKVAIFF-ICCXJUOJSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CS[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000896511658 620015827 /nfs/dbraw/zinc/01/58/27/620015827.db2.gz ISHWYXXQNPGOAU-HOSYDEDBSA-N 1 0 266.366 3.139 20 5 CGBDRO O=[N+]([O-])c1ccc2oc(C[NH2+]CCC3CC=CC3)nc2c1 ZINC000896865384 620080037 /nfs/dbraw/zinc/08/00/37/620080037.db2.gz VRVFVQFPAXYQOQ-UHFFFAOYSA-N 1 0 287.319 3.182 20 5 CGBDRO CC1(C)C[C@@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000897800181 620434630 /nfs/dbraw/zinc/43/46/30/620434630.db2.gz OWEXIONXSRQURB-JTQLQIEISA-N 1 0 286.422 3.420 20 5 CGBDRO CC1(C)CC2(CC([NH2+]Cc3csc([N+](=O)[O-])c3)C2)CO1 ZINC000897972902 620451515 /nfs/dbraw/zinc/45/15/15/620451515.db2.gz JDCXYCNUSQVTNX-UHFFFAOYSA-N 1 0 296.392 3.094 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2C[C@H]3CCC[C@H]32)cccc1[N+](=O)[O-] ZINC000897960632 620457100 /nfs/dbraw/zinc/45/71/00/620457100.db2.gz XKFZAJRAVJYDAR-MRVWCRGKSA-N 1 0 260.337 3.181 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])c1ccncc1 ZINC000901643183 620960171 /nfs/dbraw/zinc/96/01/71/620960171.db2.gz POLFIYURKDNLHK-CHWSQXEVSA-N 1 0 285.347 3.444 20 5 CGBDRO CCO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000903080006 621560763 /nfs/dbraw/zinc/56/07/63/621560763.db2.gz HKPFHIHVYNONCB-GJZGRUSLSA-N 1 0 292.379 3.341 20 5 CGBDRO COc1cc([C@@H](C)[NH2+]C2CC(F)(F)C2)cc([N+](=O)[O-])c1 ZINC000903161968 621607257 /nfs/dbraw/zinc/60/72/57/621607257.db2.gz ZXSOFQIBXKQFNK-MRVPVSSYSA-N 1 0 286.278 3.052 20 5 CGBDRO COc1cc([C@@H](C)[NH2+][C@H]2C[C@H](SC)C2)cc([N+](=O)[O-])c1 ZINC000903212422 621631581 /nfs/dbraw/zinc/63/15/81/621631581.db2.gz LPRADSSQJURRKP-GLXFQSAKSA-N 1 0 296.392 3.148 20 5 CGBDRO C[C@@H]([NH2+][C@H](C)[C@H]1CCCCO1)c1ccc([N+](=O)[O-])cc1 ZINC000903287849 621670898 /nfs/dbraw/zinc/67/08/98/621670898.db2.gz RGTLWKYMHWQNAL-LALPHHSUSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)([NH3+])c1ccc(NCc2cccc([N+](=O)[O-])c2)cc1 ZINC000904472111 621925903 /nfs/dbraw/zinc/92/59/03/621925903.db2.gz LOBQCMFIGRRWAH-UHFFFAOYSA-N 1 0 285.347 3.401 20 5 CGBDRO O=[N+]([O-])CC[NH2+][C@@H]1CCCc2c3cc(Cl)ccc3[nH]c21 ZINC000905396200 622072597 /nfs/dbraw/zinc/07/25/97/622072597.db2.gz QCVCPUGWDZKPNO-CYBMUJFWSA-N 1 0 293.754 3.065 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000060942116 623082656 /nfs/dbraw/zinc/08/26/56/623082656.db2.gz WTIYRUMWBDVWLV-LBPRGKRZSA-N 1 0 288.322 3.455 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+]CC[C@H]1CCC2(CCC2)O1 ZINC000922967391 626109913 /nfs/dbraw/zinc/10/99/13/626109913.db2.gz HVGYQWDPOFAVKH-CQSZACIVSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@@H]1CCCC[C@@]1(C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000839141852 626323167 /nfs/dbraw/zinc/32/31/67/626323167.db2.gz CDBDEHNKCLPCRB-DAXOMENPSA-N 1 0 292.379 3.187 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CCC1 ZINC000839200485 626332230 /nfs/dbraw/zinc/33/22/30/626332230.db2.gz SVXCBLDSVFMVDL-HOTGVXAUSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[C@@H]([NH2+]CCN1CCC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000766269258 627308906 /nfs/dbraw/zinc/30/89/06/627308906.db2.gz MEKKGOLJRTWDLG-XJKSGUPXSA-N 1 0 291.395 3.120 20 5 CGBDRO CC[C@]1(C)CC[N@H+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1 ZINC000774907279 628048836 /nfs/dbraw/zinc/04/88/36/628048836.db2.gz BPLXQQIURJIZTC-CQSZACIVSA-N 1 0 293.323 3.125 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1CC1(Cl)Cl)c1ccccc1[N+](=O)[O-] ZINC000775575920 628110475 /nfs/dbraw/zinc/11/04/75/628110475.db2.gz FVNXUBAAYRWUFZ-BDAKNGLRSA-N 1 0 289.162 3.439 20 5 CGBDRO CO[C@@H](C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1)C(C)C ZINC000783639951 628734721 /nfs/dbraw/zinc/73/47/21/628734721.db2.gz VWGWCIHRAUCWRC-ZDUSSCGKSA-N 1 0 286.759 3.009 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCC[C@@H](C)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788652177 629070560 /nfs/dbraw/zinc/07/05/60/629070560.db2.gz NGDNLAMQGHQEFW-NTZNESFSSA-N 1 0 277.368 3.406 20 5 CGBDRO CCC[C@@H](CC)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647819 629070738 /nfs/dbraw/zinc/07/07/38/629070738.db2.gz NERRIHBEMXRLIW-CMPLNLGQSA-N 1 0 265.357 3.406 20 5 CGBDRO CC(C)C[C@@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669073 629071451 /nfs/dbraw/zinc/07/14/51/629071451.db2.gz CPAQINUUVBHHRK-MNOVXSKESA-N 1 0 265.357 3.262 20 5 CGBDRO CC(C)C[C@H](C)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788669076 629071510 /nfs/dbraw/zinc/07/15/10/629071510.db2.gz CPAQINUUVBHHRK-QWRGUYRKSA-N 1 0 265.357 3.262 20 5 CGBDRO Cc1cscc1C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788796011 629082666 /nfs/dbraw/zinc/08/26/66/629082666.db2.gz QETCEUSHRXYVNQ-SNVBAGLBSA-N 1 0 291.376 3.398 20 5 CGBDRO Cc1c(F)nccc1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000862272617 629335202 /nfs/dbraw/zinc/33/52/02/629335202.db2.gz QMLYLKLPAGOTNA-LLVKDONJSA-N 1 0 289.310 3.288 20 5 CGBDRO Cc1c(C[NH2+]C2CC(C(F)F)C2)cccc1[N+](=O)[O-] ZINC000792183550 629346081 /nfs/dbraw/zinc/34/60/81/629346081.db2.gz PPPBMQSSINEKPO-UHFFFAOYSA-N 1 0 270.279 3.037 20 5 CGBDRO C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@@H]1CCC(C)(C)C1 ZINC000796529918 629795511 /nfs/dbraw/zinc/79/55/11/629795511.db2.gz CSPSIZSQNPCFOG-HUUCEWRRSA-N 1 0 292.379 3.139 20 5 CGBDRO C[NH+](C)[C@H](CNc1ccc([N+](=O)[O-])cc1C(F)F)C1CC1 ZINC000865513523 630162966 /nfs/dbraw/zinc/16/29/66/630162966.db2.gz ZJADBDNVHGHUMC-CYBMUJFWSA-N 1 0 299.321 3.285 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]CCCCF)cc1Cl ZINC000812773608 631305934 /nfs/dbraw/zinc/30/59/34/631305934.db2.gz ILAXWLWQANGAOY-UHFFFAOYSA-N 1 0 260.696 3.088 20 5 CGBDRO Cc1cc(NC[C@@H](C)C[NH+](C)C)c(Cl)cc1[N+](=O)[O-] ZINC000813613589 631444930 /nfs/dbraw/zinc/44/49/30/631444930.db2.gz FSGDUPNHYOPILX-SECBINFHSA-N 1 0 285.775 3.166 20 5 CGBDRO C[C@H]([NH2+]CCC(C)(C)C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815566310 631797076 /nfs/dbraw/zinc/79/70/76/631797076.db2.gz PNSYQOLGMSODIW-JTQLQIEISA-N 1 0 265.357 3.264 20 5 CGBDRO C[C@H]([NH2+]CC(C1CC1)C1CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815584825 631800842 /nfs/dbraw/zinc/80/08/42/631800842.db2.gz QFKBVHFMUJFVPO-JTQLQIEISA-N 1 0 289.379 3.264 20 5 CGBDRO C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000818346613 632311894 /nfs/dbraw/zinc/31/18/94/632311894.db2.gz USKAWXLIOSYVGL-SWHYSGLUSA-N 1 0 289.379 3.264 20 5 CGBDRO CC[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819096025 632378369 /nfs/dbraw/zinc/37/83/69/632378369.db2.gz WTESZQWDQWFFCQ-XPKDYRNWSA-N 1 0 292.379 3.187 20 5 CGBDRO CC(C)(C)C(C)(C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819329842 632431596 /nfs/dbraw/zinc/43/15/96/632431596.db2.gz SUQPLGJSTQDANS-AWEZNQCLSA-N 1 0 294.395 3.290 20 5 CGBDRO CC[C@@H]1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819342311 632434932 /nfs/dbraw/zinc/43/49/32/632434932.db2.gz PJFKUJMELWGOPO-XPKDYRNWSA-N 1 0 292.379 3.044 20 5 CGBDRO CC(C)([NH2+]Cc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCCO1 ZINC000865747227 632876139 /nfs/dbraw/zinc/87/61/39/632876139.db2.gz TURUSTOUOGOZOI-AWEZNQCLSA-N 1 0 278.352 3.032 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]C[C@H]1CCCS1 ZINC000866282267 633065156 /nfs/dbraw/zinc/06/51/56/633065156.db2.gz HBTSCRJBLYNFJJ-GXFFZTMASA-N 1 0 298.383 3.150 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-])OC ZINC000866367679 633105053 /nfs/dbraw/zinc/10/50/53/633105053.db2.gz MXPNYUFRPMHRMT-ABAIWWIYSA-N 1 0 298.358 3.070 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CC[C@@H]1CCSC1 ZINC000866405216 633125316 /nfs/dbraw/zinc/12/53/16/633125316.db2.gz YXDFTTMIGBPOBI-RISCZKNCSA-N 1 0 292.404 3.315 20 5 CGBDRO C[C@@H]([NH2+]CC[C@@H]1CCCS1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866481161 633153538 /nfs/dbraw/zinc/15/35/38/633153538.db2.gz OZLUCQSDWHXQIO-PWSUYJOCSA-N 1 0 295.408 3.113 20 5 CGBDRO C[C@H]([NH2+]CCCOCC1CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872017701 633937967 /nfs/dbraw/zinc/93/79/67/633937967.db2.gz DNZYPIKTTZISSE-NSHDSACASA-N 1 0 296.342 3.201 20 5 CGBDRO CC[C@](C)(C[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])OC ZINC000872074706 633996666 /nfs/dbraw/zinc/99/66/66/633996666.db2.gz GOIRFYDLJXPJFT-QMTHXVAHSA-N 1 0 284.331 3.200 20 5 CGBDRO C[C@@H]([NH2+]CCC[C@@H]1CCOC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872077540 634000398 /nfs/dbraw/zinc/00/03/98/634000398.db2.gz KAQZNZOBNGLYKF-VXGBXAGGSA-N 1 0 296.342 3.201 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872084179 634009407 /nfs/dbraw/zinc/00/94/07/634009407.db2.gz QDTOMOLEAKBEDB-MPKXVKKWSA-N 1 0 296.342 3.342 20 5 CGBDRO CC(C)CC[C@H](CO)[NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872088574 634014679 /nfs/dbraw/zinc/01/46/79/634014679.db2.gz SHBNXJULBPZNPS-VXGBXAGGSA-N 1 0 298.358 3.182 20 5 CGBDRO CS[C@H]1C[C@H]([NH2+][C@@H](C)c2c(F)cccc2[N+](=O)[O-])C1 ZINC000872090368 634015854 /nfs/dbraw/zinc/01/58/54/634015854.db2.gz BSXJNRIZFMYNTE-GUBZILKMSA-N 1 0 284.356 3.279 20 5 CGBDRO COCC(C)(C)CC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000872104764 634024724 /nfs/dbraw/zinc/02/47/24/634024724.db2.gz OVTACOYILGTAPJ-AWEZNQCLSA-N 1 0 292.379 3.234 20 5 CGBDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000872128781 634049606 /nfs/dbraw/zinc/04/96/06/634049606.db2.gz WLMYNPDFBZUHJQ-FRRDWIJNSA-N 1 0 278.352 3.061 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]Cc1cccc(O)c1 ZINC000873035576 634235658 /nfs/dbraw/zinc/23/56/58/634235658.db2.gz IUMCHDTXJMBPJE-UHFFFAOYSA-N 1 0 286.331 3.207 20 5 CGBDRO CCC[C@H](CCO)C[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873066559 634240423 /nfs/dbraw/zinc/24/04/23/634240423.db2.gz XLWJVKMMSCUYQL-CQSZACIVSA-N 1 0 294.395 3.100 20 5 CGBDRO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000834815104 634246984 /nfs/dbraw/zinc/24/69/84/634246984.db2.gz TVTCAASRUZPYLS-UWVGGRQHSA-N 1 0 274.324 3.038 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC(C)(C)C(C)(C)O ZINC000873129421 634252435 /nfs/dbraw/zinc/25/24/35/634252435.db2.gz LUDQUVYWYCHROX-UHFFFAOYSA-N 1 0 294.395 3.098 20 5 CGBDRO CC[C@@H](COCC1CC1)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873134409 634254008 /nfs/dbraw/zinc/25/40/08/634254008.db2.gz MXIFQHJCNDJMNK-HNNXBMFYSA-N 1 0 292.379 3.198 20 5 CGBDRO CC[C@@H]1CCCC[C@@H]1[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876917644 634928696 /nfs/dbraw/zinc/92/86/96/634928696.db2.gz FZMAZFHEDUSJAF-LPXQKFACSA-N 1 0 292.383 3.053 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2CC2(Cl)Cl)cccc1[N+](=O)[O-] ZINC000877471836 635049945 /nfs/dbraw/zinc/04/99/45/635049945.db2.gz BTASHLGJJHKIPL-JTQLQIEISA-N 1 0 289.162 3.187 20 5 CGBDRO C[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000877814789 635222134 /nfs/dbraw/zinc/22/21/34/635222134.db2.gz WOLWJTSVHCZNBT-LBPRGKRZSA-N 1 0 288.269 3.369 20 5 CGBDRO CS[C@H]1CC[C@@H]1[NH2+][C@H](C)c1ccccc1[N+](=O)[O-] ZINC000877827890 635229873 /nfs/dbraw/zinc/22/98/73/635229873.db2.gz ZDBBTGIODXZNDS-CDMKHQONSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@H]1[C@H](C)C[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])[C@H]1C ZINC000842168013 635303646 /nfs/dbraw/zinc/30/36/46/635303646.db2.gz ZKSXMGYBZAHIRA-MXWKQRLJSA-N 1 0 266.316 3.210 20 5 CGBDRO CO[C@H]1C[C@@H](C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C(C)C)C1 ZINC000877992856 635311585 /nfs/dbraw/zinc/31/15/85/635311585.db2.gz RZNJRJXIKSEOHD-FZNQNYSPSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@H]1OCC[C@H]1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208001 635414918 /nfs/dbraw/zinc/41/49/18/635414918.db2.gz OZFUBCCOWANEOH-MNOVXSKESA-N 1 0 298.770 3.105 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000844405981 635892050 /nfs/dbraw/zinc/89/20/50/635892050.db2.gz XLDOYLZKUMYNMJ-ZIAGYGMSSA-N 1 0 298.770 3.295 20 5 CGBDRO CC[C@H]([NH2+]Cc1c(F)cccc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880465969 636005429 /nfs/dbraw/zinc/00/54/29/636005429.db2.gz JUYGDEIEVZEIFH-FZMZJTMJSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@@]1(CC[NH2+]Cc2csc([N+](=O)[O-])c2)C[C@@]1(F)Cl ZINC000846039015 636135330 /nfs/dbraw/zinc/13/53/30/636135330.db2.gz SCZDWTVBAVIMAC-MNOVXSKESA-N 1 0 292.763 3.451 20 5 CGBDRO Cc1c(C[NH2+]C[C@@H]2CCC3(CCC3)O2)cccc1[N+](=O)[O-] ZINC000883362793 636704262 /nfs/dbraw/zinc/70/42/62/636704262.db2.gz NVPBUYVDKKRESZ-AWEZNQCLSA-N 1 0 290.363 3.095 20 5 CGBDRO CC[C@@H](CSC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000132674857 636828416 /nfs/dbraw/zinc/82/84/16/636828416.db2.gz YQVCNZPUCHTPHK-LBPRGKRZSA-N 1 0 268.382 3.134 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1C=CCC1 ZINC000850358748 637026849 /nfs/dbraw/zinc/02/68/49/637026849.db2.gz KRTCEBPJWBCEMB-FWLQQBITSA-N 1 0 258.321 3.306 20 5 CGBDRO CC[N@H+](Cc1cccnc1[N+](=O)[O-])C1CCCCC1 ZINC000885956701 637330456 /nfs/dbraw/zinc/33/04/56/637330456.db2.gz WINGWCVYONGAIK-UHFFFAOYSA-N 1 0 263.341 3.144 20 5 CGBDRO CC(C)C[C@@H]1CCCC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886075070 637401654 /nfs/dbraw/zinc/40/16/54/637401654.db2.gz BUEUZWZUYANXCB-AWEZNQCLSA-N 1 0 277.368 3.390 20 5 CGBDRO C[C@H]1CC(C)(C)CC[C@@H]1[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886140993 637433013 /nfs/dbraw/zinc/43/30/13/637433013.db2.gz UHQNKYLKPHSBFT-AAEUAGOBSA-N 1 0 277.368 3.294 20 5 CGBDRO CC(C)[C@@H](CC(F)(F)F)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886160469 637443205 /nfs/dbraw/zinc/44/32/05/637443205.db2.gz USYJFOWAFGBNOI-SNVBAGLBSA-N 1 0 291.273 3.056 20 5 CGBDRO O=[N+]([O-])c1ncccc1C[NH+]1CCCCCCCC1 ZINC000886234560 637465772 /nfs/dbraw/zinc/46/57/72/637465772.db2.gz QFMZULOJYFOKIT-UHFFFAOYSA-N 1 0 263.341 3.146 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1CC[C@@H](C2CC2)O1)c1ccccc1[N+](=O)[O-] ZINC000886315477 637496707 /nfs/dbraw/zinc/49/67/07/637496707.db2.gz NRNKCAYCWRARLN-KFNAQCHYSA-N 1 0 290.363 3.203 20 5 CGBDRO C[C@H]([NH2+]CC[C@H]1CC(C)(C)CO1)c1cccc([N+](=O)[O-])c1 ZINC000886716415 637669186 /nfs/dbraw/zinc/66/91/86/637669186.db2.gz YAOPWNTUPHCECV-WFASDCNBSA-N 1 0 292.379 3.451 20 5 CGBDRO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000852592011 637684387 /nfs/dbraw/zinc/68/43/87/637684387.db2.gz FRZNWSIQUNDRMV-IOASZLSFSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000858170595 638648672 /nfs/dbraw/zinc/64/86/72/638648672.db2.gz OWUBCQCZDARMKL-GXTWGEPZSA-N 1 0 291.395 3.118 20 5 CGBDRO CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000926268839 638757137 /nfs/dbraw/zinc/75/71/37/638757137.db2.gz IUJVPPXKKGJBQC-GOEBONIOSA-N 1 0 294.395 3.323 20 5 CGBDRO Cc1c(C[NH2+]CCc2ccc(F)cc2)cccc1[N+](=O)[O-] ZINC000035648654 639017068 /nfs/dbraw/zinc/01/70/68/639017068.db2.gz UFXIFODHRHSSOR-UHFFFAOYSA-N 1 0 288.322 3.375 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000040718145 639896591 /nfs/dbraw/zinc/89/65/91/639896591.db2.gz KCULGFATBGNAKX-VIFPVBQESA-N 1 0 254.717 3.090 20 5 CGBDRO C[NH+](C)C1(CNc2ccc([N+](=O)[O-])cc2C(F)F)CCC1 ZINC000097934415 640882524 /nfs/dbraw/zinc/88/25/24/640882524.db2.gz CYMWBQOUOBEPPN-UHFFFAOYSA-N 1 0 299.321 3.429 20 5 CGBDRO C(Nc1cc2cccnc2c2ncccc12)=C1CC[NH2+]CC1 ZINC001159736748 806165049 /nfs/dbraw/zinc/16/50/49/806165049.db2.gz QIHQKMGYOFYNNT-UHFFFAOYSA-N 1 0 290.370 3.462 20 5 CGBDRO CC[NH2+]Cc1cccc(Nc2ccccc2[N+](=O)[O-])c1 ZINC001159956650 806204265 /nfs/dbraw/zinc/20/42/65/806204265.db2.gz OECGJSZBTNCAAX-UHFFFAOYSA-N 1 0 271.320 3.448 20 5 CGBDRO CC[NH2+]Cc1cccc(Nc2cc([N+](=O)[O-])cnc2C)c1 ZINC001159963115 806205488 /nfs/dbraw/zinc/20/54/88/806205488.db2.gz WZZDHNGLOQDIRJ-UHFFFAOYSA-N 1 0 286.335 3.151 20 5 CGBDRO Cc1c(C[N@@H+]2CC3CCC2CC3)cccc1[N+](=O)[O-] ZINC001254087929 806340191 /nfs/dbraw/zinc/34/01/91/806340191.db2.gz CJDJJPDIXNPOQV-UHFFFAOYSA-N 1 0 260.337 3.278 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C(C)(C)C1CC1 ZINC001254532308 806444526 /nfs/dbraw/zinc/44/45/26/806444526.db2.gz MQQCRSJCUSXILQ-LLVKDONJSA-N 1 0 262.353 3.304 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccc(O)cc1 ZINC001254536770 806444545 /nfs/dbraw/zinc/44/45/45/806444545.db2.gz SVPNOAVBEZUYRK-LBPRGKRZSA-N 1 0 286.331 3.021 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)c1ccoc1 ZINC001254541374 806446064 /nfs/dbraw/zinc/44/60/64/806446064.db2.gz GYDVWFOTHUJFTG-VXGBXAGGSA-N 1 0 274.320 3.470 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C1CC2(CCC2)C1 ZINC001254545332 806446243 /nfs/dbraw/zinc/44/62/43/806446243.db2.gz MBDFIXUKPRDTTE-LBPRGKRZSA-N 1 0 274.364 3.448 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC001254559636 806449625 /nfs/dbraw/zinc/44/96/25/806449625.db2.gz LIXRZQXYTIAGRT-BNOWGMLFSA-N 1 0 274.364 3.114 20 5 CGBDRO CCC[NH+](CCC)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254596749 806457009 /nfs/dbraw/zinc/45/70/09/806457009.db2.gz FXKFXTFCHNMXQA-HNNXBMFYSA-N 1 0 262.353 3.184 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+](C)CC1CCC1 ZINC001254562849 806451747 /nfs/dbraw/zinc/45/17/47/806451747.db2.gz PRVGYKNRSFXWRC-GFCCVEGCSA-N 1 0 262.353 3.258 20 5 CGBDRO CC[N@H+](Cc1cccnc1)[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562946 806451791 /nfs/dbraw/zinc/45/17/91/806451791.db2.gz SCSUDJRJCKAZSY-CQSZACIVSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@H]1CC[C@H]([NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254577657 806454414 /nfs/dbraw/zinc/45/44/14/806454414.db2.gz GBJQDXCAKRAFLZ-CQDKDKBSSA-N 1 0 274.364 3.230 20 5 CGBDRO CC(C)(C[NH2+][C@H]1Cc2ccc([N+](=O)[O-])cc2C1)CC1CC1 ZINC001254586201 806455831 /nfs/dbraw/zinc/45/58/31/806455831.db2.gz IHXHDMGIDIKFMA-HNNXBMFYSA-N 1 0 288.391 3.478 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)C2 ZINC001254581729 806456206 /nfs/dbraw/zinc/45/62/06/806456206.db2.gz LTBJKLCOUDEEMK-NXHRZFHOSA-N 1 0 294.354 3.208 20 5 CGBDRO CC(C)O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001254565361 806450775 /nfs/dbraw/zinc/45/07/75/806450775.db2.gz OPRNKJMWVKGKRU-ZFWWWQNUSA-N 1 0 292.379 3.025 20 5 CGBDRO C[C@H]1CCCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254601097 806458414 /nfs/dbraw/zinc/45/84/14/806458414.db2.gz ZGNQJEADCIWUBM-BLLLJJGKSA-N 1 0 274.364 3.184 20 5 CGBDRO C[N@H+](CC(C)(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600699 806459013 /nfs/dbraw/zinc/45/90/13/806459013.db2.gz QSGDFMSYVFVVBA-CQSZACIVSA-N 1 0 262.353 3.040 20 5 CGBDRO Cc1c(F)cc([N+](=O)[O-])cc1NC[C@H]1CCC[NH2+]C[C@@H]1C ZINC001162472629 806593858 /nfs/dbraw/zinc/59/38/58/806593858.db2.gz YJQNIMGBVZHIOV-CMPLNLGQSA-N 1 0 295.358 3.090 20 5 CGBDRO CCC[N@H+](CC)C[C@H](C)Nc1c(F)cccc1[N+](=O)[O-] ZINC001163436760 806762387 /nfs/dbraw/zinc/76/23/87/806762387.db2.gz FHLVKTXMVWWTSK-NSHDSACASA-N 1 0 283.347 3.266 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C)SC2)cc1[N+](=O)[O-] ZINC000689563374 799766715 /nfs/dbraw/zinc/76/67/15/799766715.db2.gz VJCCTPKOTFDWCZ-WCQYABFASA-N 1 0 280.393 3.277 20 5 CGBDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000701023464 799882431 /nfs/dbraw/zinc/88/24/31/799882431.db2.gz CTGMERLLDJEAHU-RZGXBDKHSA-N 1 0 298.770 3.150 20 5 CGBDRO CSC1CC([NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)C1 ZINC000708269006 799984855 /nfs/dbraw/zinc/98/48/55/799984855.db2.gz IDQFINABIRWHJK-QFWMXSHPSA-N 1 0 280.393 3.448 20 5 CGBDRO COC(C)(C)[C@H](C)[NH2+]Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000720229504 800254211 /nfs/dbraw/zinc/25/42/11/800254211.db2.gz RENIFWVVOPDUBJ-VIFPVBQESA-N 1 0 286.759 3.151 20 5 CGBDRO C[C@H](C[NH+](C)C)Nc1cc2cccnc2c2ncccc12 ZINC001163782539 806826379 /nfs/dbraw/zinc/82/63/79/806826379.db2.gz KUORHJKDVJJUTE-GFCCVEGCSA-N 1 0 280.375 3.145 20 5 CGBDRO Cc1cc(Nc2cc([N+](=O)[O-])cnc2C)c2ccccc2[nH+]1 ZINC001248745357 804981144 /nfs/dbraw/zinc/98/11/44/804981144.db2.gz FMZYSZYGPTZGNK-UHFFFAOYSA-N 1 0 294.314 3.320 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC001168959682 807541731 /nfs/dbraw/zinc/54/17/31/807541731.db2.gz YDEWNRGGJLQCDJ-TVQRCGJNSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(Cl)c(F)c2)C1 ZINC001168956488 807541744 /nfs/dbraw/zinc/54/17/44/807541744.db2.gz BABKTFUGWMHUGA-MNOVXSKESA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2Cl)C1 ZINC001168966521 807542928 /nfs/dbraw/zinc/54/29/28/807542928.db2.gz IYXNMQFPOPHJJR-CABZTGNLSA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2F)C1 ZINC001168963640 807543018 /nfs/dbraw/zinc/54/30/18/807543018.db2.gz PHMBYICKHPEENE-JOYOIKCWSA-N 1 0 286.734 3.014 20 5 CGBDRO CCC1([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CCCCC1 ZINC001168972810 807543608 /nfs/dbraw/zinc/54/36/08/807543608.db2.gz BJDXVXIDXDYQCX-STQMWFEESA-N 1 0 254.374 3.134 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1ccc(F)cc1F ZINC001168970666 807544053 /nfs/dbraw/zinc/54/40/53/807544053.db2.gz IDCLTLXFYWTHAJ-JBLDHEPKSA-N 1 0 284.306 3.061 20 5 CGBDRO CC(C)Oc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168968530 807544128 /nfs/dbraw/zinc/54/41/28/807544128.db2.gz ZVXUYUGTMCXFMT-LSDHHAIUSA-N 1 0 292.379 3.009 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1)c1cc(F)cc(F)c1 ZINC001168979894 807545782 /nfs/dbraw/zinc/54/57/82/807545782.db2.gz BZLMBQXOKXAURG-IINYFYTJSA-N 1 0 298.333 3.235 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(Cl)c1 ZINC001168980678 807545904 /nfs/dbraw/zinc/54/59/04/807545904.db2.gz FNLIVCGDHMSTEH-SUNKGSAMSA-N 1 0 282.771 3.436 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]CCC2CCC(F)(F)CC2)C1 ZINC001168987324 807546662 /nfs/dbraw/zinc/54/66/62/807546662.db2.gz IGQWNAIQXNBABJ-STQMWFEESA-N 1 0 290.354 3.237 20 5 CGBDRO Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168982070 807546823 /nfs/dbraw/zinc/54/68/23/807546823.db2.gz IHXZSUHPFPXUIQ-IHRRRGAJSA-N 1 0 262.353 3.091 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(C)cc1 ZINC001169003535 807550174 /nfs/dbraw/zinc/55/01/74/807550174.db2.gz NWXJVEJBZQZPRZ-VNQPRFMTSA-N 1 0 276.380 3.481 20 5 CGBDRO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CCC2 ZINC001169002215 807550586 /nfs/dbraw/zinc/55/05/86/807550586.db2.gz JHXTZJXOLBAHAX-JLJPHGGASA-N 1 0 288.391 3.407 20 5 CGBDRO CC(C)C[NH+](CC(C)C)[C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169010167 807552209 /nfs/dbraw/zinc/55/22/09/807552209.db2.gz ZEEFXPUPDXVKIE-KGLIPLIRSA-N 1 0 256.390 3.046 20 5 CGBDRO C[N@H+](Cc1cccc2cccnc21)[C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169036489 807555575 /nfs/dbraw/zinc/55/55/75/807555575.db2.gz OTDWFTBCQFJDDF-BBRMVZONSA-N 1 0 299.374 3.112 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC3(CC[C@@H](F)C3)CC2)C1 ZINC001169039517 807557189 /nfs/dbraw/zinc/55/71/89/807557189.db2.gz QNGNBRBVNOAWPP-MGPQQGTHSA-N 1 0 284.375 3.036 20 5 CGBDRO COc1ccc([C@H](C)[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169039514 807557469 /nfs/dbraw/zinc/55/74/69/807557469.db2.gz QMFRGAJDGUMRAZ-YDHLFZDLSA-N 1 0 292.379 3.133 20 5 CGBDRO C[N@H+](C/C=C/c1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169038634 807557656 /nfs/dbraw/zinc/55/76/56/807557656.db2.gz JPYAJEPCRSWVNC-IDSJHHPBSA-N 1 0 274.364 3.077 20 5 CGBDRO CC[N@H+](CCn1c(C)ncc1[N+](=O)[O-])[C@@H]1CCCC[C@H]1C ZINC001169285472 807623807 /nfs/dbraw/zinc/62/38/07/807623807.db2.gz WIUVABYCHIBBIH-TZMCWYRMSA-N 1 0 294.399 3.000 20 5 CGBDRO c1cnc2c(c1)cc(NCC[C@H]1CCC[NH2+]1)c1cccnc12 ZINC001169568145 807668618 /nfs/dbraw/zinc/66/86/18/807668618.db2.gz RKJKTFWMMPTDLJ-CQSZACIVSA-N 1 0 292.386 3.337 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH2+]C(C)(C)C2CC2)c([N+](=O)[O-])c1 ZINC001170300352 807821387 /nfs/dbraw/zinc/82/13/87/807821387.db2.gz ZKTNMMWJEVJDCO-LLVKDONJSA-N 1 0 292.379 3.313 20 5 CGBDRO COc1ccc(C[C@@H](C)[NH+]2CC3(CCC3)C2)c([N+](=O)[O-])c1 ZINC001170334466 807827129 /nfs/dbraw/zinc/82/71/29/807827129.db2.gz FEFCQIDHKLLCCC-GFCCVEGCSA-N 1 0 290.363 3.020 20 5 CGBDRO COc1ccc(C[C@@H](C)[N@H+](C)CCC2CC2)c([N+](=O)[O-])c1 ZINC001170353129 807828925 /nfs/dbraw/zinc/82/89/25/807828925.db2.gz WNAZHAMRYZFMNF-GFCCVEGCSA-N 1 0 292.379 3.266 20 5 CGBDRO C[C@@H]1C[C@H](C[N@@H+]2Cc3ccc([N+](=O)[O-])cc3C2)C[C@H](C)O1 ZINC001262231263 807839025 /nfs/dbraw/zinc/83/90/25/807839025.db2.gz ZBEPYGBLSAFICU-ITGUQSILSA-N 1 0 290.363 3.114 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1N[C@@H]1CCOC[C@@H]1C ZINC001170817728 807914263 /nfs/dbraw/zinc/91/42/63/807914263.db2.gz JQJGFMQMZVOJBC-GOEBONIOSA-N 1 0 277.432 3.120 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccco1)CC2 ZINC001172897864 808474596 /nfs/dbraw/zinc/47/45/96/808474596.db2.gz FEIAVVSBXOTPCQ-AWEZNQCLSA-N 1 0 286.331 3.225 20 5 CGBDRO CSCCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172900696 808476315 /nfs/dbraw/zinc/47/63/15/808476315.db2.gz YGMKZLYGRFKJLW-AWEZNQCLSA-N 1 0 294.420 3.185 20 5 CGBDRO CCC(C)(C)[NH2+][C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001173175255 808533224 /nfs/dbraw/zinc/53/32/24/808533224.db2.gz MIYOCAMOSGZBAO-JTQLQIEISA-N 1 0 298.358 3.452 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)CC(C)C)c1F ZINC001173182590 808533949 /nfs/dbraw/zinc/53/39/49/808533949.db2.gz HQEFKIBNZOGKOV-NSHDSACASA-N 1 0 298.358 3.261 20 5 CGBDRO Cc1ccncc1C[NH2+][C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173212918 808538607 /nfs/dbraw/zinc/53/86/07/808538607.db2.gz CTBVYRYKSFHZFI-CYBMUJFWSA-N 1 0 285.347 3.019 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCSCC1 ZINC001173215694 808538920 /nfs/dbraw/zinc/53/89/20/808538920.db2.gz YQCWAINHYHMZCS-LLVKDONJSA-N 1 0 280.393 3.011 20 5 CGBDRO CC[N@H+]([C@@H](C)Cc1ccc([N+](=O)[O-])cc1)C1CCOCC1 ZINC001173225793 808541194 /nfs/dbraw/zinc/54/11/94/808541194.db2.gz GJJSTKIOEMLTNH-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO CCO[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173227568 808541749 /nfs/dbraw/zinc/54/17/49/808541749.db2.gz QWQODLHCSXYPBG-CZUORRHYSA-N 1 0 292.379 3.027 20 5 CGBDRO COC1(C)CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173229996 808542557 /nfs/dbraw/zinc/54/25/57/808542557.db2.gz WSXBRCBZNDGKRY-ZDUSSCGKSA-N 1 0 292.379 3.027 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232464 808543049 /nfs/dbraw/zinc/54/30/49/808543049.db2.gz GVBHFNVABYTPIB-XJKSGUPXSA-N 1 0 292.379 3.027 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+]C[C@H]2CCc3ccccc3C2)c1 ZINC001178347566 809861209 /nfs/dbraw/zinc/86/12/09/809861209.db2.gz YMKUHEPMRQTRRF-HNNXBMFYSA-N 1 0 296.370 3.490 20 5 CGBDRO C[C@@H]1CCCC[C@@H]1CN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC001181556003 810058932 /nfs/dbraw/zinc/05/89/32/810058932.db2.gz QXCIHOLZWNOEOV-ZIAGYGMSSA-N 1 0 291.395 3.186 20 5 CGBDRO C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC001184998936 810228069 /nfs/dbraw/zinc/22/80/69/810228069.db2.gz IYEIVZXQBCAJLW-UTUOFQBUSA-N 1 0 297.424 3.435 20 5 CGBDRO CCC(C)(C)[NH+]1CCN(c2cc(C)sc2[N+](=O)[O-])CC1 ZINC001186871842 810367235 /nfs/dbraw/zinc/36/72/35/810367235.db2.gz CTEASLCEYJFSSW-UHFFFAOYSA-N 1 0 297.424 3.275 20 5 CGBDRO CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1 ZINC001194091992 811013303 /nfs/dbraw/zinc/01/33/03/811013303.db2.gz NSVOEQWUTRZSIB-LSDHHAIUSA-N 1 0 292.379 3.278 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2cc[nH+]c(C3CC3)c2)cn1 ZINC001203570123 812395442 /nfs/dbraw/zinc/39/54/42/812395442.db2.gz SWHGYLAOVMNRJK-UHFFFAOYSA-N 1 0 256.265 3.006 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCC(F)F ZINC001204048286 812534483 /nfs/dbraw/zinc/53/44/83/812534483.db2.gz QKUYNZHHRWFXQV-YFHOEESVSA-N 1 0 270.279 3.243 20 5 CGBDRO c1ccc2c(c1)nc1ccccc1c2CO[C@H]1C=CC[NH2+]C1 ZINC001217883171 815988424 /nfs/dbraw/zinc/98/84/24/815988424.db2.gz QIARGCSJPDNWKG-AWEZNQCLSA-N 1 0 290.366 3.433 20 5 CGBDRO C[NH2+][C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c(Cl)c2Cl)C1 ZINC001217957378 816016516 /nfs/dbraw/zinc/01/65/16/816016516.db2.gz HNZMKWHBKBOWJW-KNVOCYPGSA-N 1 0 291.134 3.031 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)c(O[C@@H]2CCC[NH2+]C2)cc1Cl ZINC001217962349 816018659 /nfs/dbraw/zinc/01/86/59/816018659.db2.gz ROTCLBDRCWLGEQ-SSDOTTSWSA-N 1 0 291.134 3.032 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@@H]1Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001217964427 816019818 /nfs/dbraw/zinc/01/98/18/816019818.db2.gz BHGKDFLBVSCMBW-PXAZEXFGSA-N 1 0 298.342 3.249 20 5 CGBDRO C[C@@H]1CC[NH2+]CC[C@@H]1Oc1ccc(Cl)cc1[N+](=O)[O-] ZINC001218028606 816063487 /nfs/dbraw/zinc/06/34/87/816063487.db2.gz HCKSGZSHGIVIES-SKDRFNHKSA-N 1 0 284.743 3.015 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(Cl)c1O[C@H]1CC[NH2+]CC[C@H]1C ZINC001218028676 816063807 /nfs/dbraw/zinc/06/38/07/816063807.db2.gz WJZFMGNQMBNLEQ-SKDRFNHKSA-N 1 0 298.770 3.324 20 5 CGBDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccnc2c1ccc1cccnc12 ZINC001218045588 816072035 /nfs/dbraw/zinc/07/20/35/816072035.db2.gz JWKDQCNILXXNLM-MLGOLLRUSA-N 1 0 293.370 3.160 20 5 CGBDRO C[C@H]1C[C@@H](Oc2ccc([N+](=O)[O-])c3ccccc23)CC[NH2+]1 ZINC001218048776 816074112 /nfs/dbraw/zinc/07/41/12/816074112.db2.gz GTNCGQZVUAYKLL-RYUDHWBXSA-N 1 0 286.331 3.267 20 5 CGBDRO C[C@@H]1C[C@H](Oc2ccc3ccccc3c2[N+](=O)[O-])CC[NH2+]1 ZINC001218059522 816079552 /nfs/dbraw/zinc/07/95/52/816079552.db2.gz KAPLDWLOSUBVEX-DGCLKSJQSA-N 1 0 286.331 3.267 20 5 CGBDRO Cc1c(C)c([N+](=O)[O-])ccc1O[C@@H]1CCC12CC[NH2+]CC2 ZINC001218084932 816090637 /nfs/dbraw/zinc/09/06/37/816090637.db2.gz LMKYSUVFUJREKP-OAHLLOKOSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cc(Cl)cc(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c1 ZINC001218096126 816096425 /nfs/dbraw/zinc/09/64/25/816096425.db2.gz SSXCPTRCAGTKQG-KGLIPLIRSA-N 1 0 296.754 3.159 20 5 CGBDRO O=[N+]([O-])c1cc(O[C@@H]2CCC[C@]23CC[NH2+]C3)ccc1Cl ZINC001218097914 816097348 /nfs/dbraw/zinc/09/73/48/816097348.db2.gz USHACTVQMMOCFK-ZIAGYGMSSA-N 1 0 296.754 3.159 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2OC[C@H]1C[NH2+]CCO1 ZINC001218178623 816118413 /nfs/dbraw/zinc/11/84/13/816118413.db2.gz ZJOKIRVFYOAQRF-MRXNPFEDSA-N 1 0 293.366 3.360 20 5 CGBDRO Cc1cc(O[C@@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C)c(C)c1[N+](=O)[O-] ZINC001218189076 816121360 /nfs/dbraw/zinc/12/13/60/816121360.db2.gz RSRZCGILYUXBLA-BTTYYORXSA-N 1 0 290.363 3.182 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(C)cc1OC1CC2(C1)CCC[NH2+]C2 ZINC001218255285 816143095 /nfs/dbraw/zinc/14/30/95/816143095.db2.gz QYMBVKGSVLLNMR-UHFFFAOYSA-N 1 0 290.363 3.123 20 5 CGBDRO C[C@@H]1CC[C@@H](Oc2cccc3nc4ccccc4nc32)C[NH2+]1 ZINC001218405274 816197965 /nfs/dbraw/zinc/19/79/65/816197965.db2.gz LSETWKIGWPYRMR-CHWSQXEVSA-N 1 0 293.370 3.302 20 5 CGBDRO C[C@H]1C[NH2+]CC[C@@H]1Oc1c2ccccc2ccc1[N+](=O)[O-] ZINC001218420093 816206425 /nfs/dbraw/zinc/20/64/25/816206425.db2.gz QZSQCIGJCYYDOW-NHYWBVRUSA-N 1 0 286.331 3.125 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218421069 816207321 /nfs/dbraw/zinc/20/73/21/816207321.db2.gz VPNSIIKZTYBYAF-RISCZKNCSA-N 1 0 292.379 3.269 20 5 CGBDRO CSc1ccc(CO[C@H](C)C[N+](C)(C)C)cc1 ZINC001222234018 816381666 /nfs/dbraw/zinc/38/16/66/816381666.db2.gz NAKIBRXQOKCMQK-GFCCVEGCSA-N 1 0 254.419 3.020 20 5 CGBDRO Cc1c(CO[C@@H]2CCC[N@@H+](C(C)C)C2)cccc1[N+](=O)[O-] ZINC001223330501 816606803 /nfs/dbraw/zinc/60/68/03/816606803.db2.gz RQUXSUJEMDSDER-OAHLLOKOSA-N 1 0 292.379 3.293 20 5 CGBDRO CC[N@@H+]1CCC[C@H](O[C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC001223432468 816629699 /nfs/dbraw/zinc/62/96/99/816629699.db2.gz VDSCUHWFOUPFRB-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO Cc1cccc([N+](=O)[O-])c1CO[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC001223538208 816648149 /nfs/dbraw/zinc/64/81/49/816648149.db2.gz ILIGNFRSVUQGIW-CQSZACIVSA-N 1 0 292.379 3.293 20 5 CGBDRO Cc1cccc(COC2CC[NH+](C3CC3)CC2)c1[N+](=O)[O-] ZINC001223661265 816663892 /nfs/dbraw/zinc/66/38/92/816663892.db2.gz NWENLOXVDLGEIL-UHFFFAOYSA-N 1 0 290.363 3.047 20 5 CGBDRO CC[NH+](CC)C[C@H](C)O[C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC001224019079 816721193 /nfs/dbraw/zinc/72/11/93/816721193.db2.gz CDJAYDBZTFXTRO-QWHCGFSZSA-N 1 0 280.368 3.403 20 5 CGBDRO C[C@H](O[C@H]1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC001224027929 816724106 /nfs/dbraw/zinc/72/41/06/816724106.db2.gz XXYLRFGORIBMCF-WFASDCNBSA-N 1 0 278.352 3.157 20 5 CGBDRO C[C@H](C[NH+](C)C)OCc1ccc([N+](=O)[O-])c2ccccc12 ZINC001224202675 816754381 /nfs/dbraw/zinc/75/43/81/816754381.db2.gz HJWDZNXFUNJHDW-GFCCVEGCSA-N 1 0 288.347 3.215 20 5 CGBDRO C[C@@H](C[N+](C)(C)C)OCCCCCOCc1ccccc1 ZINC001224764838 816877313 /nfs/dbraw/zinc/87/73/13/816877313.db2.gz SNAUBWRHDKKACC-KRWDZBQOSA-N 1 0 294.459 3.485 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1cccc(Br)c1F ZINC001226130208 817281164 /nfs/dbraw/zinc/28/11/64/817281164.db2.gz YMDPZEARNHQVCP-SECBINFHSA-N 1 0 291.184 3.062 20 5 CGBDRO CC[NH+](CC)C[C@@H](C)Oc1ccc([N+](=O)[O-])c(C)c1 ZINC001226842332 817482221 /nfs/dbraw/zinc/48/22/21/817482221.db2.gz UXKOIYOLMUGCMS-GFCCVEGCSA-N 1 0 266.341 3.012 20 5 CGBDRO Cc1c(Br)cccc1O[C@H](C)C[N+](C)(C)C ZINC001226872282 817489263 /nfs/dbraw/zinc/48/92/63/817489263.db2.gz AZYBVJUXYFGDNR-SNVBAGLBSA-N 1 0 287.221 3.231 20 5 CGBDRO C/C=C/c1ccc(O[C@@H](C)C[N+](C)(C)C)c(OC)c1 ZINC001227409371 817641641 /nfs/dbraw/zinc/64/16/41/817641641.db2.gz HPDHBRLWGORDBU-GWJCSSMESA-N 1 0 264.389 3.202 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(Cl)c2cccnc12 ZINC001227520334 817663392 /nfs/dbraw/zinc/66/33/92/817663392.db2.gz FIKSMOOWPXDPJU-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO CC(C)[NH+]1CCC(Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001228000551 817780022 /nfs/dbraw/zinc/78/00/22/817780022.db2.gz MUPHIJZADZUAJY-UHFFFAOYSA-N 1 0 298.770 3.500 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2CCC[N@@H+](C)CC2)c([N+](=O)[O-])c1 ZINC001228228856 817844514 /nfs/dbraw/zinc/84/45/14/817844514.db2.gz CHANZNRYOINJRM-CYBMUJFWSA-N 1 0 278.352 3.075 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(O)c2c1[C@@H]1CC[C@H]2C1 ZINC001231221088 818059980 /nfs/dbraw/zinc/05/99/80/818059980.db2.gz LQNGQPIFXRRWIO-FRRDWIJNSA-O 1 0 276.400 3.230 20 5 CGBDRO C[C@H]1CN(c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C1CCCC1 ZINC001458603672 937469551 /nfs/dbraw/zinc/46/95/51/937469551.db2.gz MLKWAGVABWESKJ-ZDUSSCGKSA-N 1 0 289.379 3.048 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(N2CC[N@@H+](C)C[C@@H]2CC(C)C)c1 ZINC001458644690 937470861 /nfs/dbraw/zinc/47/08/61/937470861.db2.gz JYLVHVMLBNEGAH-AWEZNQCLSA-N 1 0 291.395 3.070 20 5 CGBDRO CC(C)(C)[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC001459806694 937501067 /nfs/dbraw/zinc/50/10/67/937501067.db2.gz LHTGQUCCMYLXIH-CYBMUJFWSA-N 1 0 292.379 3.342 20 5 CGBDRO CC(C)C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(Cl)cc1 ZINC001459845582 937503352 /nfs/dbraw/zinc/50/33/52/937503352.db2.gz RNDVKKVUWMWZQI-ZDUSSCGKSA-N 1 0 270.760 3.294 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc(-c2ccccc2)cn1 ZINC001229078235 932087685 /nfs/dbraw/zinc/08/76/85/932087685.db2.gz QXXNPVZNCXAUGX-CQSZACIVSA-N 1 0 271.384 3.222 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1c(C)cc(F)cc1[N+](=O)[O-] ZINC001229199137 932114541 /nfs/dbraw/zinc/11/45/41/932114541.db2.gz SNCJPQVCRQDPJV-NSHDSACASA-N 1 0 284.331 3.151 20 5 CGBDRO CC[NH+]1CCC(Oc2cc(C)c([N+](=O)[O-])c(C)c2)CC1 ZINC001229466919 932156350 /nfs/dbraw/zinc/15/63/50/932156350.db2.gz YPCOZCOLWILSLC-UHFFFAOYSA-N 1 0 278.352 3.075 20 5 CGBDRO CC[N@@H+]1CCC[C@H](Oc2ccc([N+](=O)[O-])c(C)c2C)C1 ZINC001229881241 932497532 /nfs/dbraw/zinc/49/75/32/932497532.db2.gz PXRKRKBXGWPUQG-ZDUSSCGKSA-N 1 0 278.352 3.075 20 5 CGBDRO Cc1cc([N+](=O)[O-])c(O[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC001229895877 932500747 /nfs/dbraw/zinc/50/07/47/932500747.db2.gz WKSIAZWHKRYSSS-GFCCVEGCSA-N 1 0 296.342 3.294 20 5 CGBDRO C[NH+](C)C1(C)CCC(Nc2ccc([N+](=O)[O-])cc2F)CC1 ZINC001307190093 932776959 /nfs/dbraw/zinc/77/69/59/932776959.db2.gz PMGODGUZACBFAE-UHFFFAOYSA-N 1 0 295.358 3.409 20 5 CGBDRO Cc1cc(NCC[N@@H+]2CCC(C)(C)C2)c(F)cc1[N+](=O)[O-] ZINC001307229872 932780774 /nfs/dbraw/zinc/78/07/74/932780774.db2.gz LWSXZHLDEPGQNG-UHFFFAOYSA-N 1 0 295.358 3.186 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)C1CCCCCC1 ZINC001307669416 932983336 /nfs/dbraw/zinc/98/33/36/932983336.db2.gz XQRWLVNXBUCGKV-GFCCVEGCSA-N 1 0 294.399 3.048 20 5 CGBDRO CC[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCSC ZINC001307901619 933016381 /nfs/dbraw/zinc/01/63/81/933016381.db2.gz UDJKSNABIZZGGG-UHFFFAOYSA-N 1 0 298.408 3.049 20 5 CGBDRO C[NH+](C)[C@@H]1CCCC[C@@H]1Nc1cccc(F)c1[N+](=O)[O-] ZINC001318387484 933718745 /nfs/dbraw/zinc/71/87/45/933718745.db2.gz ZJHJRKVEYCYLCK-WCQYABFASA-N 1 0 281.331 3.019 20 5 CGBDRO CS[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC001318785284 933778333 /nfs/dbraw/zinc/77/83/33/933778333.db2.gz UJDOTHRDBZYSEX-STQMWFEESA-N 1 0 280.393 3.311 20 5 CGBDRO CC[N@H+](Cc1cc(OC)c(F)cc1[N+](=O)[O-])C(C)(C)C ZINC001325203714 934894107 /nfs/dbraw/zinc/89/41/07/934894107.db2.gz KQUDQRKSJGUNQM-UHFFFAOYSA-N 1 0 284.331 3.363 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2cccn2C2CC2)cc1[N+](=O)[O-] ZINC001330638682 935306777 /nfs/dbraw/zinc/30/67/77/935306777.db2.gz ORNKBMJJQQNSTB-UHFFFAOYSA-N 1 0 285.347 3.329 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CC[C@H]3[C@@H](C2)C3(F)F)c1 ZINC001330768690 935320990 /nfs/dbraw/zinc/32/09/90/935320990.db2.gz YPXRXNBQVUSIDW-KGYLQXTDSA-N 1 0 282.290 3.118 20 5 CGBDRO CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CCCC12CC2 ZINC001474230212 937845272 /nfs/dbraw/zinc/84/52/72/937845272.db2.gz LLFYTIDKJAQOJI-HNNXBMFYSA-N 1 0 290.363 3.416 20 5 CGBDRO CCC[C@@H](C[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1)OC ZINC001474319773 937851051 /nfs/dbraw/zinc/85/10/51/937851051.db2.gz SHRQFMXPFIGUJB-INIZCTEOSA-N 1 0 292.379 3.374 20 5 CGBDRO C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCCOCC1 ZINC001474390992 937857253 /nfs/dbraw/zinc/85/72/53/937857253.db2.gz KOQVQQFITHAYIJ-ZFWWWQNUSA-N 1 0 292.379 3.075 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[N@H+]1CC[C@@H]1C(C)C ZINC001560707542 938271792 /nfs/dbraw/zinc/27/17/92/938271792.db2.gz NLHZHTTUTDZVTH-CQSZACIVSA-N 1 0 262.353 3.442 20 5 CGBDRO C[C@@H]([NH3+])[C@H](C)Nc1c(Cl)c(Cl)ccc1[N+](=O)[O-] ZINC001576102663 962442201 /nfs/dbraw/zinc/44/22/01/962442201.db2.gz GTQGBOFMXIKBJV-RITPCOANSA-N 1 0 278.139 3.049 20 5 CGBDRO Cc1ccc(N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c([N+](=O)[O-])c1 ZINC001579723464 962663770 /nfs/dbraw/zinc/66/37/70/962663770.db2.gz BTMMLQWREXIALK-BYCMXARLSA-N 1 0 289.379 3.092 20 5 CGBDRO C[C@@H]([NH2+]Cc1cnn2ccccc12)c1cccc([N+](=O)[O-])c1 ZINC000337711680 214229875 /nfs/dbraw/zinc/22/98/75/214229875.db2.gz GZJXTLXLSCKTSF-GFCCVEGCSA-N 1 0 296.330 3.093 20 5 CGBDRO CC(C)([NH2+]CCC1CCOCC1)c1ccc([N+](=O)[O-])cc1 ZINC000590114951 346828619 /nfs/dbraw/zinc/82/86/19/346828619.db2.gz TXVBWYHIAHRICW-UHFFFAOYSA-N 1 0 292.379 3.236 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3ccccn3)C2)cc1 ZINC000590602853 346853705 /nfs/dbraw/zinc/85/37/05/346853705.db2.gz ZGYHYYGDKVWYIU-OAHLLOKOSA-N 1 0 297.358 3.369 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H](c3ccccn3)C2)c1 ZINC000590599136 346854117 /nfs/dbraw/zinc/85/41/17/346854117.db2.gz AHFRLJCNYAUMLF-HNNXBMFYSA-N 1 0 297.358 3.369 20 5 CGBDRO CC[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)[C@H]1C[C@@H]1C ZINC000414093192 529607515 /nfs/dbraw/zinc/60/75/15/529607515.db2.gz FTPGKAAJWJWAKM-CQDKDKBSSA-N 1 0 262.353 3.162 20 5 CGBDRO CC[C@H]([NH2+]C[C@@](C)(O)C(C)C)c1cccc([N+](=O)[O-])c1 ZINC000178120389 529617328 /nfs/dbraw/zinc/61/73/28/529617328.db2.gz TUOWSNZAENYOHM-LSDHHAIUSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1[N+](=O)[O-] ZINC000592376726 346980356 /nfs/dbraw/zinc/98/03/56/346980356.db2.gz GJMBEUKWIDBHDP-BFHYXJOUSA-N 1 0 260.337 3.181 20 5 CGBDRO Cc1c([C@H](C)[NH2+][C@H]2CCS[C@@H]2C)cccc1[N+](=O)[O-] ZINC000592398560 346983795 /nfs/dbraw/zinc/98/37/95/346983795.db2.gz JSNNZHCVPMOTEO-LOWVWBTDSA-N 1 0 280.393 3.448 20 5 CGBDRO Cc1ccccc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000038079484 344954635 /nfs/dbraw/zinc/95/46/35/344954635.db2.gz LAQVZPGBHOZQPC-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO C[C@@H](C1CC1)[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000047908993 345056824 /nfs/dbraw/zinc/05/68/24/345056824.db2.gz WUYTXFNCBXWRDA-LBPRGKRZSA-N 1 0 290.363 3.237 20 5 CGBDRO CC1CC[NH+](CCCNc2ccc([N+](=O)[O-])s2)CC1 ZINC000054389597 345134670 /nfs/dbraw/zinc/13/46/70/345134670.db2.gz QIOGIUHBKZBFKF-UHFFFAOYSA-N 1 0 283.397 3.190 20 5 CGBDRO CC[NH+](CC)[C@H](CNc1ccncc1[N+](=O)[O-])CC(C)C ZINC000060342918 345213778 /nfs/dbraw/zinc/21/37/78/345213778.db2.gz RPBKQRMXXULYNK-ZDUSSCGKSA-N 1 0 294.399 3.158 20 5 CGBDRO CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H](C)C(C)C ZINC000065298999 345271350 /nfs/dbraw/zinc/27/13/50/345271350.db2.gz BSRSDEVNGVEYPS-CYBMUJFWSA-N 1 0 280.368 3.340 20 5 CGBDRO C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCS[C@H](C)C1 ZINC000075715436 345519692 /nfs/dbraw/zinc/51/96/92/345519692.db2.gz QADJXCKFQGZGQP-MNOVXSKESA-N 1 0 266.366 3.093 20 5 CGBDRO CC[C@@H](CNc1ccc([N+](=O)[O-])cc1F)[NH+]1CCCC1 ZINC000075677158 345518357 /nfs/dbraw/zinc/51/83/57/345518357.db2.gz AMUCDCOQRWFUHG-NSHDSACASA-N 1 0 281.331 3.020 20 5 CGBDRO CCC(C)(C)[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083128497 345724258 /nfs/dbraw/zinc/72/42/58/345724258.db2.gz XYZUMQGOZXGVNQ-UHFFFAOYSA-N 1 0 263.297 3.014 20 5 CGBDRO C[C@H]([NH2+]CCc1cccc([N+](=O)[O-])c1)c1cncc(F)c1 ZINC000090909820 345796906 /nfs/dbraw/zinc/79/69/06/345796906.db2.gz BVHRUWYZUAXSRJ-NSHDSACASA-N 1 0 289.310 3.022 20 5 CGBDRO CC[NH+]1CCC(CNc2c(C)cccc2[N+](=O)[O-])CC1 ZINC000096482936 345903252 /nfs/dbraw/zinc/90/32/52/345903252.db2.gz KALDVHFTBYJLPS-UHFFFAOYSA-N 1 0 277.368 3.047 20 5 CGBDRO O=[N+]([O-])c1cccc(CN2CCOC3(CCCCC3)C2)c1 ZINC000173846904 232289957 /nfs/dbraw/zinc/28/99/57/232289957.db2.gz QEPHWUWCSIRRGT-UHFFFAOYSA-N 1 0 290.363 3.130 20 5 CGBDRO CCC[C@@H]([NH2+]CC(C)(C)CO)c1cccc([N+](=O)[O-])c1 ZINC000122051546 346004201 /nfs/dbraw/zinc/00/42/01/346004201.db2.gz PJPXHAXCCYORSQ-CQSZACIVSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1ncc([C@@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000127353260 346030679 /nfs/dbraw/zinc/03/06/79/346030679.db2.gz DTVMJAPWWXSMLE-SNVBAGLBSA-N 1 0 291.376 3.253 20 5 CGBDRO CCSCC[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000160145549 346169848 /nfs/dbraw/zinc/16/98/48/346169848.db2.gz VWSHINKFKPADIP-LBPRGKRZSA-N 1 0 282.409 3.259 20 5 CGBDRO C[C@@]1(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCS1 ZINC000155656254 346154443 /nfs/dbraw/zinc/15/44/43/346154443.db2.gz IWIFSTGDRVGISW-AWEZNQCLSA-N 1 0 280.393 3.013 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC(F)(F)C1)c1cccc([N+](=O)[O-])c1 ZINC000311987309 346475356 /nfs/dbraw/zinc/47/53/56/346475356.db2.gz DYIFFTHNSJRGHV-MWLCHTKSSA-N 1 0 270.279 3.433 20 5 CGBDRO O=[N+]([O-])c1cc(C(F)F)ccc1N[C@H]1CCC[NH2+]CC1 ZINC000312251635 346476030 /nfs/dbraw/zinc/47/60/30/346476030.db2.gz MSMJBVLBZWUGMB-JTQLQIEISA-N 1 0 285.294 3.086 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CC[C@H]2C[C@H]2C1)c1cccc([N+](=O)[O-])c1 ZINC000403351039 346596382 /nfs/dbraw/zinc/59/63/82/346596382.db2.gz ILZYEUNJOGNDAJ-DOERSZECSA-N 1 0 260.337 3.434 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)COCC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000593722524 347108288 /nfs/dbraw/zinc/10/82/88/347108288.db2.gz SXJMQUKMLGVPAW-WBMJQRKESA-N 1 0 292.379 3.451 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000594026231 347139432 /nfs/dbraw/zinc/13/94/32/347139432.db2.gz GXNOIIIXNVIBDE-HNNXBMFYSA-N 1 0 290.363 3.128 20 5 CGBDRO CC[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1C)[C@H]1CCCCO1 ZINC000594041547 347143044 /nfs/dbraw/zinc/14/30/44/347143044.db2.gz FNIYXUMDOZTGGA-GDBMZVCRSA-N 1 0 292.379 3.341 20 5 CGBDRO COCC1([NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CCCC1 ZINC000594951844 347239391 /nfs/dbraw/zinc/23/93/91/347239391.db2.gz NMISLAXMVSETCW-UHFFFAOYSA-N 1 0 298.770 3.297 20 5 CGBDRO C[C@]1(CC[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1(F)F ZINC000594977979 347247050 /nfs/dbraw/zinc/24/70/50/347247050.db2.gz OZFNVHLJCYFINQ-LBPRGKRZSA-N 1 0 270.279 3.120 20 5 CGBDRO C[C@]1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2Cl)CC1(F)F ZINC000594978316 347247282 /nfs/dbraw/zinc/24/72/82/347247282.db2.gz SKTHULWQGOHZRU-LLVKDONJSA-N 1 0 290.697 3.383 20 5 CGBDRO C[C@@H]1CCC[C@H](C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])O1 ZINC000594985315 347249615 /nfs/dbraw/zinc/24/96/15/347249615.db2.gz LFOVABVWYUHFJG-IEOKHJKGSA-N 1 0 290.363 3.155 20 5 CGBDRO Cc1noc(C[N@H+](C2CC2)C2CCCCC2)c1[N+](=O)[O-] ZINC000595289618 347287265 /nfs/dbraw/zinc/28/72/65/347287265.db2.gz GCLRXXPIERTKGO-UHFFFAOYSA-N 1 0 279.340 3.188 20 5 CGBDRO CC[C@@H](C)[C@H](C)[N@H+](Cc1onc(C)c1[N+](=O)[O-])C1CC1 ZINC000595302044 347289280 /nfs/dbraw/zinc/28/92/80/347289280.db2.gz IQEFJHKGCHIIRN-KOLCDFICSA-N 1 0 281.356 3.290 20 5 CGBDRO CC[C@@H](C)[C@H]1CCCC[N@@H+]1Cc1onc(C)c1[N+](=O)[O-] ZINC000595329931 347292678 /nfs/dbraw/zinc/29/26/78/347292678.db2.gz YQAPYPFZTHIPPG-ZYHUDNBSSA-N 1 0 281.356 3.292 20 5 CGBDRO CCC[C@@]1(C)CCC[N@H+](Cc2onc(C)c2[N+](=O)[O-])C1 ZINC000595331986 347293318 /nfs/dbraw/zinc/29/33/18/347293318.db2.gz AQBXJSBBBQPCGX-AWEZNQCLSA-N 1 0 281.356 3.293 20 5 CGBDRO Cc1noc(C[N@H+]2CCC[C@H](CC(C)C)C2)c1[N+](=O)[O-] ZINC000595343814 347294839 /nfs/dbraw/zinc/29/48/39/347294839.db2.gz JZFIVMMQIPZYNT-GFCCVEGCSA-N 1 0 281.356 3.149 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CCCC1 ZINC000595006565 347254535 /nfs/dbraw/zinc/25/45/35/347254535.db2.gz KTEIVQGEVHPCFC-JTQLQIEISA-N 1 0 264.325 3.197 20 5 CGBDRO C[C@@H](CSCCF)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000595009719 347255861 /nfs/dbraw/zinc/25/58/61/347255861.db2.gz VLJSDHJZMHJFJT-QWRGUYRKSA-N 1 0 286.372 3.337 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC(F)(F)C1 ZINC000595044162 347268124 /nfs/dbraw/zinc/26/81/24/347268124.db2.gz LOSCXHPKNLERCR-QMMMGPOBSA-N 1 0 286.278 3.052 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CO1 ZINC000595050543 347269343 /nfs/dbraw/zinc/26/93/43/347269343.db2.gz RXAQWQDQNMRPHC-DOMZBBRYSA-N 1 0 290.363 3.129 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000595054156 347270869 /nfs/dbraw/zinc/27/08/69/347270869.db2.gz YCMLLGRYZWZNKE-JLUCKKNBSA-N 1 0 290.363 3.443 20 5 CGBDRO Cc1noc(C[NH2+][C@@H](C)[C@H](C)c2ccccc2)c1[N+](=O)[O-] ZINC000595419932 347300909 /nfs/dbraw/zinc/30/09/09/347300909.db2.gz AXCTYWDKVAOVRW-QWRGUYRKSA-N 1 0 289.335 3.173 20 5 CGBDRO CC1(C)[C@H](C[NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C1(F)F ZINC000595095792 347282458 /nfs/dbraw/zinc/28/24/58/347282458.db2.gz YCMXUIFBDSURSF-AAEUAGOBSA-N 1 0 296.317 3.463 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](CCF)C1 ZINC000595755488 347350282 /nfs/dbraw/zinc/35/02/82/347350282.db2.gz MNEROGSVKOOCQZ-GFCCVEGCSA-N 1 0 296.342 3.175 20 5 CGBDRO CCC[C@@H]([NH2+]Cc1onc(C)c1[N+](=O)[O-])C(C)(C)C ZINC000595513975 347314321 /nfs/dbraw/zinc/31/43/21/347314321.db2.gz JJTWZCMEWRNMQT-LLVKDONJSA-N 1 0 269.345 3.196 20 5 CGBDRO C[C@H]1CC(C)(C)C[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595541756 347317433 /nfs/dbraw/zinc/31/74/33/347317433.db2.gz CITYMYXNSZUTKQ-JTQLQIEISA-N 1 0 266.316 3.354 20 5 CGBDRO CC[C@@H](C)[N@H+](CC)CCOc1ccc(OC)cc1[N+](=O)[O-] ZINC000595593041 347322842 /nfs/dbraw/zinc/32/28/42/347322842.db2.gz MOFSSEYDOUICSY-GFCCVEGCSA-N 1 0 296.367 3.103 20 5 CGBDRO Cc1cc(NCC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])s1 ZINC000596271669 347408807 /nfs/dbraw/zinc/40/88/07/347408807.db2.gz RZSKJBYIUJKYJH-NSHDSACASA-N 1 0 283.397 3.109 20 5 CGBDRO CC[NH+]1CCC(CNc2cc(C)sc2[N+](=O)[O-])CC1 ZINC000596085137 347380914 /nfs/dbraw/zinc/38/09/14/347380914.db2.gz AWFQJEJLFLQHBA-UHFFFAOYSA-N 1 0 283.397 3.109 20 5 CGBDRO CC(C)(C)[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cc2F)C1 ZINC000596336017 347422451 /nfs/dbraw/zinc/42/24/51/347422451.db2.gz KIZHCPRMSJAQTD-JTQLQIEISA-N 1 0 281.331 3.019 20 5 CGBDRO O=[N+]([O-])c1ccc(-c2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000596637771 347494897 /nfs/dbraw/zinc/49/48/97/347494897.db2.gz OPTMVIPWQXSGLD-UHFFFAOYSA-N 1 0 283.331 3.253 20 5 CGBDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]32)cc1[N+](=O)[O-] ZINC000597159596 347542162 /nfs/dbraw/zinc/54/21/62/347542162.db2.gz PPHQVCSEGYOTSH-KBPBESRZSA-N 1 0 260.337 3.278 20 5 CGBDRO C/C=C/C[NH2+][C@H](C)c1ccc(OCC)c([N+](=O)[O-])c1 ZINC000599080516 347715364 /nfs/dbraw/zinc/71/53/64/347715364.db2.gz HBWOUBGTKWREJT-DUMNWFOQSA-N 1 0 264.325 3.220 20 5 CGBDRO C[C@@H](c1cccc([N+](=O)[O-])c1)N1Cc2ccc(O)cc2C1 ZINC000599538530 347752777 /nfs/dbraw/zinc/75/27/77/347752777.db2.gz OGRSSIMVXZCJCW-NSHDSACASA-N 1 0 284.315 3.377 20 5 CGBDRO C[C@@H]1CC(F)(F)CC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000599624204 347758841 /nfs/dbraw/zinc/75/88/41/347758841.db2.gz UADIMCQBKDMIDP-SNVBAGLBSA-N 1 0 270.279 3.214 20 5 CGBDRO C[C@@H]1Cc2ccc(-c3ccc(F)cc3[N+](=O)[O-])cc2C[NH2+]1 ZINC000600790528 347836895 /nfs/dbraw/zinc/83/68/95/347836895.db2.gz RVKZBZFZCNBJLO-SNVBAGLBSA-N 1 0 286.306 3.435 20 5 CGBDRO C[C@H]1Cc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2C[NH2+]1 ZINC000600790126 347836955 /nfs/dbraw/zinc/83/69/55/347836955.db2.gz ZKTUXLGJYVVKLF-NSHDSACASA-N 1 0 268.316 3.296 20 5 CGBDRO CCC[C@@H](CCO)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000601288904 347888807 /nfs/dbraw/zinc/88/88/07/347888807.db2.gz FMNMLZZKGHVHEC-BBRMVZONSA-N 1 0 292.379 3.113 20 5 CGBDRO C[C@H]([NH2+]C[C@H]1CC(C)(C)CO1)c1ccccc1[N+](=O)[O-] ZINC000601942102 347927348 /nfs/dbraw/zinc/92/73/48/347927348.db2.gz QYQXWZDYRCZNBD-NWDGAFQWSA-N 1 0 278.352 3.061 20 5 CGBDRO C[C@@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1CCC1 ZINC000602578368 347986775 /nfs/dbraw/zinc/98/67/75/347986775.db2.gz DSXCRNCIVJNWFT-SECBINFHSA-N 1 0 275.308 3.014 20 5 CGBDRO C[C@]1([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC=CCC1 ZINC000602688359 348009895 /nfs/dbraw/zinc/00/98/95/348009895.db2.gz UZLPUCQSSVSZIH-HNNXBMFYSA-N 1 0 287.319 3.324 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC2CCC(F)CC2)cc1 ZINC000602705083 348013357 /nfs/dbraw/zinc/01/33/57/348013357.db2.gz ZQHSKVQCBWBBRF-UHFFFAOYSA-N 1 0 280.343 3.255 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCC[C@@H]2CCO2)cc1[N+](=O)[O-] ZINC000602564273 347982924 /nfs/dbraw/zinc/98/29/24/347982924.db2.gz SDCXQVRQIQXNGQ-GXTWGEPZSA-N 1 0 278.352 3.123 20 5 CGBDRO Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@]1(C)CC(C)C ZINC000602837703 348035310 /nfs/dbraw/zinc/03/53/10/348035310.db2.gz YXALUUMHFDSWOK-OAHLLOKOSA-N 1 0 294.399 3.000 20 5 CGBDRO C[C@H]1C[C@H](C)C[NH+](CCCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000604012782 348106517 /nfs/dbraw/zinc/10/65/17/348106517.db2.gz ZFEBNIGGDDPEGD-KBPBESRZSA-N 1 0 292.379 3.342 20 5 CGBDRO COc1ccc(C[NH+]2CCC(C(C)C)CC2)cc1[N+](=O)[O-] ZINC000610369938 348379642 /nfs/dbraw/zinc/37/96/42/348379642.db2.gz CJNFVSGEXGZFKD-UHFFFAOYSA-N 1 0 292.379 3.471 20 5 CGBDRO Cc1c(C[N@H+](C)CCOC(C)(C)C)cccc1[N+](=O)[O-] ZINC000610859759 348407063 /nfs/dbraw/zinc/40/70/63/348407063.db2.gz LJSHUMGLNAMUQR-UHFFFAOYSA-N 1 0 280.368 3.150 20 5 CGBDRO CC(C)c1ccc(C[N@H+](C)C2CCOCC2)cc1[N+](=O)[O-] ZINC000611262118 348433593 /nfs/dbraw/zinc/43/35/93/348433593.db2.gz ADYZTZWLVHWVDC-UHFFFAOYSA-N 1 0 292.379 3.329 20 5 CGBDRO CCC1(O)CCC([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000611314622 348437868 /nfs/dbraw/zinc/43/78/68/348437868.db2.gz UBPVISJNKMSEHK-UHFFFAOYSA-N 1 0 292.379 3.077 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](CO)CC1CC1)c1cccc([N+](=O)[O-])c1 ZINC000611337520 348439088 /nfs/dbraw/zinc/43/90/88/348439088.db2.gz XLZOETFORGAPQV-ZBFHGGJFSA-N 1 0 292.379 3.187 20 5 CGBDRO CC[N@H+](C[C@H]1CCOC1)[C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000611204930 348428285 /nfs/dbraw/zinc/42/82/85/348428285.db2.gz BMYNDOZDQJBIEF-QWHCGFSZSA-N 1 0 278.352 3.014 20 5 CGBDRO C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2Cl)C[C@@H]1F ZINC000611800096 348476735 /nfs/dbraw/zinc/47/67/35/348476735.db2.gz MBAOIPPRHNDYMO-ZANVPECISA-N 1 0 286.734 3.428 20 5 CGBDRO C[C@H](F)CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000339493657 215208049 /nfs/dbraw/zinc/20/80/49/215208049.db2.gz RZFTWOVVUMCBDH-QMMMGPOBSA-N 1 0 292.257 3.034 20 5 CGBDRO COc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000351977736 219273794 /nfs/dbraw/zinc/27/37/94/219273794.db2.gz KGHQZBFUUSDDOP-TXEJJXNPSA-N 1 0 278.352 3.081 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H](C)c1ccncc1 ZINC000612580555 348529851 /nfs/dbraw/zinc/52/98/51/348529851.db2.gz AVBYXGRZKGXNKK-ZDUSSCGKSA-N 1 0 285.347 3.192 20 5 CGBDRO C[C@@H]1C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618983905 349191218 /nfs/dbraw/zinc/19/12/18/349191218.db2.gz OJDDWXRLIKJYIH-OWYVNGRQSA-N 1 0 260.337 3.315 20 5 CGBDRO CSCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000618981548 349191355 /nfs/dbraw/zinc/19/13/55/349191355.db2.gz WYEFLZASHGEEOB-ZDUSSCGKSA-N 1 0 280.393 3.270 20 5 CGBDRO C[C@@H]([NH2+]Cc1cccc([N+](=O)[O-])c1)c1cccc(O)c1 ZINC000037150670 137878112 /nfs/dbraw/zinc/87/81/12/137878112.db2.gz ZDQGBXSZIXOZBG-LLVKDONJSA-N 1 0 272.304 3.151 20 5 CGBDRO CCC(O)(CC)C[NH2+][C@H](C)CCc1ccccc1[N+](=O)[O-] ZINC000121952252 187006655 /nfs/dbraw/zinc/00/66/55/187006655.db2.gz DQHNZBZHSQNFMY-CYBMUJFWSA-N 1 0 294.395 3.057 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]CC1CC(F)(F)C1 ZINC000291762283 198084204 /nfs/dbraw/zinc/08/42/04/198084204.db2.gz RPOYUTVIKIZTJJ-UHFFFAOYSA-N 1 0 270.279 3.038 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]C1CCC1)C1CC1 ZINC000271543401 191202796 /nfs/dbraw/zinc/20/27/96/191202796.db2.gz YWEGPNIDJYEHJP-CQSZACIVSA-N 1 0 260.337 3.058 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CCCSC)cc1[N+](=O)[O-] ZINC000153874793 188109026 /nfs/dbraw/zinc/10/90/26/188109026.db2.gz PDBMONHISMLHKW-LLVKDONJSA-N 1 0 298.408 3.397 20 5 CGBDRO Cc1c([C@H](C)[NH2+]CCCOCC2CC2)cccc1[N+](=O)[O-] ZINC000162871997 188593749 /nfs/dbraw/zinc/59/37/49/188593749.db2.gz CLVNOCKRAWGLNP-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO CCOCCCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000165142464 188629823 /nfs/dbraw/zinc/62/98/23/188629823.db2.gz POYAJXXTBPAICS-LBPRGKRZSA-N 1 0 266.341 3.062 20 5 CGBDRO CC(C)[C@H](O)C1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000271884072 191387541 /nfs/dbraw/zinc/38/75/41/191387541.db2.gz QITCIYKISYHYBU-DOMZBBRYSA-N 1 0 292.379 3.043 20 5 CGBDRO COC1([C@H](C)[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC000414294957 235381294 /nfs/dbraw/zinc/38/12/94/235381294.db2.gz COBJIJCMKOBQLA-STQMWFEESA-N 1 0 292.379 3.073 20 5 CGBDRO CC(C)C1([NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)CC1 ZINC000293566332 198686689 /nfs/dbraw/zinc/68/66/89/198686689.db2.gz AYGPMUDBHYBDMX-JTQLQIEISA-N 1 0 263.341 3.016 20 5 CGBDRO CC[C@H](NC[C@@H](C)[NH+](CC)CC)c1cccc([N+](=O)[O-])c1 ZINC000127591325 138389508 /nfs/dbraw/zinc/38/95/08/138389508.db2.gz XUBBXWORLHUSKL-CJNGLKHVSA-N 1 0 293.411 3.366 20 5 CGBDRO CC[NH+](CC)CCCNc1c(F)cc([N+](=O)[O-])cc1F ZINC000227887365 138502826 /nfs/dbraw/zinc/50/28/26/138502826.db2.gz FABAWSWEAMHXMR-UHFFFAOYSA-N 1 0 287.310 3.017 20 5 CGBDRO CCC[C@H]([NH2+]C[C@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000248145278 138550832 /nfs/dbraw/zinc/55/08/32/138550832.db2.gz QBHGKRRKTHAMPV-WWGRRREGSA-N 1 0 294.395 3.433 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)[C@H](C)OC)cc1[N+](=O)[O-] ZINC000191646940 535413206 /nfs/dbraw/zinc/41/32/06/535413206.db2.gz JSFUKXKSAZRAHS-TUAOUCFPSA-N 1 0 296.367 3.068 20 5 CGBDRO COC[C@@]1(C)CC[N@@H+]([C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000296843846 200012752 /nfs/dbraw/zinc/01/27/52/200012752.db2.gz SVHCKWUZVSXTLR-WFASDCNBSA-N 1 0 278.352 3.014 20 5 CGBDRO CO[C@@H]1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1 ZINC000341883577 216138154 /nfs/dbraw/zinc/13/81/54/216138154.db2.gz FOKNVAGZCVGYRB-OSAQELSMSA-N 1 0 278.352 3.061 20 5 CGBDRO CC[C@@H]([NH2+]CCCCCCO)c1cccc([N+](=O)[O-])c1 ZINC000181563052 189300868 /nfs/dbraw/zinc/30/08/68/189300868.db2.gz WMRNIIMGBKQSSI-OAHLLOKOSA-N 1 0 280.368 3.188 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1cccc(O)c1 ZINC000449114156 239186128 /nfs/dbraw/zinc/18/61/28/239186128.db2.gz YRETZJSNAZFSGU-GFCCVEGCSA-N 1 0 286.331 3.021 20 5 CGBDRO Cc1cnccc1CC[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449200177 239240390 /nfs/dbraw/zinc/24/03/90/239240390.db2.gz BDYLANWXZYMTIL-AWEZNQCLSA-N 1 0 299.374 3.062 20 5 CGBDRO C[C@H](Cc1ccoc1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000449348262 239336615 /nfs/dbraw/zinc/33/66/15/239336615.db2.gz LDQVBFOPZHPNDV-NEPJUHHUSA-N 1 0 274.320 3.470 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1CCC12CCCC2 ZINC000451463638 240307900 /nfs/dbraw/zinc/30/79/00/240307900.db2.gz XVYZCGODJUSCQV-OAHLLOKOSA-N 1 0 290.363 3.416 20 5 CGBDRO CCC[C@H](N[C@H]1C[NH2+]CC[C@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423371952 283941573 /nfs/dbraw/zinc/94/15/73/283941573.db2.gz VPTWYNDEVQJDOB-KCXAZCMYSA-N 1 0 291.395 3.024 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1ccc2cc[nH]c2n1 ZINC000353240661 219982670 /nfs/dbraw/zinc/98/26/70/219982670.db2.gz JMZPDPXPCZWJBU-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]C2(C3CCC3)CCC2)cc1 ZINC000459780463 242230006 /nfs/dbraw/zinc/23/00/06/242230006.db2.gz VMKQZATZXJWJHD-UHFFFAOYSA-N 1 0 274.364 3.450 20 5 CGBDRO O=[N+]([O-])c1ccccc1OCC[NH2+]C1(C2CCC2)CCC1 ZINC000459783443 242232625 /nfs/dbraw/zinc/23/26/25/242232625.db2.gz ZOQBZFKBACQRJA-UHFFFAOYSA-N 1 0 290.363 3.286 20 5 CGBDRO CC[C@H](C[C@H](C)CO)[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000483868688 243300891 /nfs/dbraw/zinc/30/08/91/243300891.db2.gz NLKAHPXBHPRGLX-FPMFFAJLSA-N 1 0 294.395 3.351 20 5 CGBDRO CC(C)[N@H+](Cc1cccnc1)Cc1cccc([N+](=O)[O-])c1 ZINC000125649746 370938622 /nfs/dbraw/zinc/93/86/22/370938622.db2.gz NGWNLNUBXWAXIY-UHFFFAOYSA-N 1 0 285.347 3.400 20 5 CGBDRO CC[C@H]1C[C@@H](C)C[N@@H+]1Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000330615489 203041194 /nfs/dbraw/zinc/04/11/94/203041194.db2.gz UETZZPKMWQNBCW-YPMHNXCESA-N 1 0 278.352 3.224 20 5 CGBDRO CCC[C@H]([NH2+]C[C@@H]1CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000020092603 368800931 /nfs/dbraw/zinc/80/09/31/368800931.db2.gz PARFKGMRGPWJRV-GJZGRUSLSA-N 1 0 278.352 3.205 20 5 CGBDRO C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1(C)CCCC1 ZINC000490169200 243726053 /nfs/dbraw/zinc/72/60/53/243726053.db2.gz FCVRHCGFIWWSDL-UHFFFAOYSA-N 1 0 278.352 3.238 20 5 CGBDRO CCC[NH+]1CCC(N[C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000037177142 369074053 /nfs/dbraw/zinc/07/40/53/369074053.db2.gz DHVMBHWQAALGJI-CYBMUJFWSA-N 1 0 291.395 3.120 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)c1ccccc1 ZINC000037011380 369051827 /nfs/dbraw/zinc/05/18/27/369051827.db2.gz FZKOSJRZYZZMOR-GFCCVEGCSA-N 1 0 286.331 3.454 20 5 CGBDRO Cc1cc(NC2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000042248046 369207029 /nfs/dbraw/zinc/20/70/29/369207029.db2.gz LIWPPSJQPYKWMU-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO COc1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1[N+](=O)[O-] ZINC000045630611 369282686 /nfs/dbraw/zinc/28/26/86/369282686.db2.gz NNXGWRAKBORMEO-GFCCVEGCSA-N 1 0 276.336 3.049 20 5 CGBDRO CCOc1ccc(C[NH2+]Cc2ccccc2[N+](=O)[O-])cc1 ZINC000048068894 369335659 /nfs/dbraw/zinc/33/56/59/369335659.db2.gz XNAZXSUJQSQPFW-UHFFFAOYSA-N 1 0 286.331 3.283 20 5 CGBDRO C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000502417986 244643720 /nfs/dbraw/zinc/64/37/20/244643720.db2.gz VBYRAAHJQZPLTF-KBMXLJTQSA-N 1 0 274.364 3.306 20 5 CGBDRO C[C@@H]([NH2+]CCC(F)(F)F)c1ccccc1[N+](=O)[O-] ZINC000063099138 369639399 /nfs/dbraw/zinc/63/93/99/369639399.db2.gz AJMDSEQBQSJLNK-MRVPVSSYSA-N 1 0 262.231 3.198 20 5 CGBDRO CC(C)[N@H+](CCc1ccncc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000064350569 369653260 /nfs/dbraw/zinc/65/32/60/369653260.db2.gz ZMAMYUUARFYFBQ-UHFFFAOYSA-N 1 0 299.374 3.443 20 5 CGBDRO C[C@H]([NH2+]CC1(O)CCC(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000087045132 370026109 /nfs/dbraw/zinc/02/61/09/370026109.db2.gz ZLLGJCXDPXTCNF-UYJPIKCFSA-N 1 0 292.379 3.187 20 5 CGBDRO C[C@@H](N[C@@H](C[NH3+])C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000423258381 296153146 /nfs/dbraw/zinc/15/31/46/296153146.db2.gz BKCZMVWHRWNOPV-WBMJQRKESA-N 1 0 291.395 3.153 20 5 CGBDRO C[C@@H](N[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1)[C@H](C)[NH3+] ZINC000423451399 296160207 /nfs/dbraw/zinc/16/02/07/296160207.db2.gz UXGWWBOTRDBJTO-OGHNNQOOSA-N 1 0 299.374 3.010 20 5 CGBDRO COc1ccc(C[NH2+][C@H]2CC[C@H]2C(C)C)cc1[N+](=O)[O-] ZINC000513661978 245088074 /nfs/dbraw/zinc/08/80/74/245088074.db2.gz RRFUORBNVZUZFC-STQMWFEESA-N 1 0 278.352 3.128 20 5 CGBDRO CSC(C)(C)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000135472846 371430828 /nfs/dbraw/zinc/43/08/28/371430828.db2.gz YOPUWOZQQLSVPS-JTQLQIEISA-N 1 0 268.382 3.387 20 5 CGBDRO COc1cccc(C2([NH2+]Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000150900493 371547861 /nfs/dbraw/zinc/54/78/61/371547861.db2.gz BLOFUNQODUHTFH-UHFFFAOYSA-N 1 0 298.342 3.382 20 5 CGBDRO CC(C)SCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000287031132 371593313 /nfs/dbraw/zinc/59/33/13/371593313.db2.gz LUULWZHIIZYONB-LLVKDONJSA-N 1 0 268.382 3.387 20 5 CGBDRO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CCO1 ZINC000421849996 371673009 /nfs/dbraw/zinc/67/30/09/371673009.db2.gz CKKCCUOIPMAFQU-UXIGCNINSA-N 1 0 278.352 3.203 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@H+](CCOC2CCC2)C2CC2)cc1 ZINC000287756541 371702721 /nfs/dbraw/zinc/70/27/21/371702721.db2.gz LXVQBSDQXKVWJL-UHFFFAOYSA-N 1 0 290.363 3.128 20 5 CGBDRO Cc1ccncc1CCC[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC000290565878 372018244 /nfs/dbraw/zinc/01/82/44/372018244.db2.gz ZZLWJHSHFRIUOT-UHFFFAOYSA-N 1 0 299.374 3.063 20 5 CGBDRO CCC1(CC)[C@H]([NH2+]Cc2ccccc2[N+](=O)[O-])C[C@H]1OC ZINC000344164209 217080828 /nfs/dbraw/zinc/08/08/28/217080828.db2.gz ILQBBKOHMFDLGL-HUUCEWRRSA-N 1 0 292.379 3.278 20 5 CGBDRO CC[N@H+](CCc1nccs1)Cc1cccc([N+](=O)[O-])c1 ZINC000159206158 372116537 /nfs/dbraw/zinc/11/65/37/372116537.db2.gz CFTXCFFKDPIJIQ-UHFFFAOYSA-N 1 0 291.376 3.116 20 5 CGBDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000159418108 372140980 /nfs/dbraw/zinc/14/09/80/372140980.db2.gz AGSBSRKFOGOBSO-BBRMVZONSA-N 1 0 294.395 3.433 20 5 CGBDRO CO[C@@](C)(C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000291277964 372152092 /nfs/dbraw/zinc/15/20/92/372152092.db2.gz QZDJQJFFXNRVQW-NHYWBVRUSA-N 1 0 278.352 3.061 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000160434404 372245398 /nfs/dbraw/zinc/24/53/98/372245398.db2.gz SPLYJJFXTVSZEU-INIZCTEOSA-N 1 0 289.379 3.050 20 5 CGBDRO C[C@H]([NH2+]C[C@@H](O)C1CCCCC1)c1ccc([N+](=O)[O-])cc1 ZINC000163164400 372451566 /nfs/dbraw/zinc/45/15/66/372451566.db2.gz XEGMNEXWIKAKII-BLLLJJGKSA-N 1 0 292.379 3.187 20 5 CGBDRO CC1(C)C[C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000344449914 217195071 /nfs/dbraw/zinc/19/50/71/217195071.db2.gz QAAMBMPEQVPJHH-SCXUMTSISA-N 1 0 260.337 3.244 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCSC2)c(Cl)c1 ZINC000168133132 372607018 /nfs/dbraw/zinc/60/70/18/372607018.db2.gz NICZHHBAWNNZLA-SNVBAGLBSA-N 1 0 286.784 3.233 20 5 CGBDRO Cc1ccc(C[NH2+]CCCC(C)(F)F)cc1[N+](=O)[O-] ZINC000295925172 372960245 /nfs/dbraw/zinc/96/02/45/372960245.db2.gz FGQSQZPRYLFHLI-UHFFFAOYSA-N 1 0 272.295 3.428 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000344768567 217304552 /nfs/dbraw/zinc/30/45/52/217304552.db2.gz DUPWTLHMVUJDOM-NSHDSACASA-N 1 0 270.279 3.262 20 5 CGBDRO CC[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000296122143 373028878 /nfs/dbraw/zinc/02/88/78/373028878.db2.gz VNRNJWKBGRZBIO-QMMMGPOBSA-N 1 0 274.267 3.084 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000441441622 373014410 /nfs/dbraw/zinc/01/44/10/373014410.db2.gz RWNIBKYCXQPRLK-IUODEOHRSA-N 1 0 290.363 3.368 20 5 CGBDRO O=[N+]([O-])c1cccc(C[NH2+][C@@H]2CCCC(F)(F)C2)c1 ZINC000344768837 217305163 /nfs/dbraw/zinc/30/51/63/217305163.db2.gz FXOAVMBJDGIUNF-LLVKDONJSA-N 1 0 270.279 3.262 20 5 CGBDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000172861282 373051684 /nfs/dbraw/zinc/05/16/84/373051684.db2.gz DONKBQNILSTOGJ-VHSXEESVSA-N 1 0 254.355 3.277 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1ccoc1 ZINC000344788697 217312920 /nfs/dbraw/zinc/31/29/20/217312920.db2.gz FHJRNFBVJFMVNY-GHXNOFRVSA-N 1 0 272.304 3.381 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CCCOC1 ZINC000344848739 217332982 /nfs/dbraw/zinc/33/29/82/217332982.db2.gz AJFCCNLVWXLKQE-NRUITVPNSA-N 1 0 290.363 3.014 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cccnc1 ZINC000344857521 217333913 /nfs/dbraw/zinc/33/39/13/217333913.db2.gz MCGGKMVXNZVQNA-GXDHUFHOSA-N 1 0 297.358 3.225 20 5 CGBDRO C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1 ZINC000173913482 373215258 /nfs/dbraw/zinc/21/52/58/373215258.db2.gz QZZWZTZLIJZEIJ-UHFFFAOYSA-N 1 0 254.717 3.233 20 5 CGBDRO COCC1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000296552617 373173811 /nfs/dbraw/zinc/17/38/11/373173811.db2.gz UQSVHBMYSLHJDG-DNOWBOINSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1cc(NCC[N@H+]2CCCC[C@@H]2C)ccc1[N+](=O)[O-] ZINC000301108336 373663861 /nfs/dbraw/zinc/66/38/61/373663861.db2.gz QMJFKFJLVPDDLK-ZDUSSCGKSA-N 1 0 277.368 3.190 20 5 CGBDRO CO[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2C)CC1(C)C ZINC000449496842 373792678 /nfs/dbraw/zinc/79/26/78/373792678.db2.gz HSNQRMQSMQBJJO-OAHLLOKOSA-N 1 0 292.379 3.150 20 5 CGBDRO C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182204232 374235088 /nfs/dbraw/zinc/23/50/88/374235088.db2.gz BUUXATIPHLCIRM-VIFPVBQESA-N 1 0 254.717 3.233 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452113477 374237359 /nfs/dbraw/zinc/23/73/59/374237359.db2.gz CAGFIQBYGBKVRI-ZIAGYGMSSA-N 1 0 292.379 3.059 20 5 CGBDRO CO[C@@H](C)CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000315237641 374326474 /nfs/dbraw/zinc/32/64/74/374326474.db2.gz QACHNHNSGUGGNC-NSHDSACASA-N 1 0 289.335 3.288 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000182934477 374346548 /nfs/dbraw/zinc/34/65/48/374346548.db2.gz GQBMUVGDCQQLKB-WWGRRREGSA-N 1 0 292.379 3.057 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1CN1CCn2cccc2[C@@H]1C ZINC000183229478 374389000 /nfs/dbraw/zinc/38/90/00/374389000.db2.gz MZDPZIRIVLOJAU-ZDUSSCGKSA-N 1 0 285.347 3.282 20 5 CGBDRO CC[C@@](C)(C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C)OC ZINC000453310363 374409777 /nfs/dbraw/zinc/40/97/77/374409777.db2.gz ZANJMVJJNKCPGP-DOMZBBRYSA-N 1 0 280.368 3.369 20 5 CGBDRO CC[C@H]1[C@@H](C)CC[N@@H+]1Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000331417984 374532029 /nfs/dbraw/zinc/53/20/29/374532029.db2.gz DKHUMSJWEHGHTP-HZMBPMFUSA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C(C)(C)C1 ZINC000331530626 374541158 /nfs/dbraw/zinc/54/11/58/374541158.db2.gz QYDGLXOIGUYPAC-JTQLQIEISA-N 1 0 288.351 3.092 20 5 CGBDRO CC(C)C(C)(C)C[NH2+]Cc1ccccc1[N+](=O)[O-] ZINC000189468802 375392977 /nfs/dbraw/zinc/39/29/77/375392977.db2.gz MBYGLUDLYSYLAJ-UHFFFAOYSA-N 1 0 250.342 3.367 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCOC(F)(F)F)cc1[N+](=O)[O-] ZINC000189226006 375343536 /nfs/dbraw/zinc/34/35/36/375343536.db2.gz AKYWPWLFBMGHTF-VIFPVBQESA-N 1 0 292.257 3.090 20 5 CGBDRO CSC1(C[NH2+]Cc2ccc([N+](=O)[O-])cc2F)CCC1 ZINC000336813254 375966199 /nfs/dbraw/zinc/96/61/99/375966199.db2.gz UBVPXSPSLXYCPS-UHFFFAOYSA-N 1 0 284.356 3.109 20 5 CGBDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CCOc1cccc([N+](=O)[O-])c1 ZINC000540054857 376354439 /nfs/dbraw/zinc/35/44/39/376354439.db2.gz CKVAGJMQTHVUMY-QWHCGFSZSA-N 1 0 278.352 3.237 20 5 CGBDRO COCCC(C)(C)C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000230868192 376543266 /nfs/dbraw/zinc/54/32/66/376543266.db2.gz WSDRJSWVWHVKDS-UHFFFAOYSA-N 1 0 280.368 3.056 20 5 CGBDRO CO[C@@]1(C)C[C@@H]([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)C1(C)C ZINC000237158295 376732921 /nfs/dbraw/zinc/73/29/21/376732921.db2.gz OZOKEWVAYJBNRU-ZBFHGGJFSA-N 1 0 292.379 3.196 20 5 CGBDRO CC(C)C[N@H+](Cc1cccc([N+](=O)[O-])c1)C(C)C ZINC000339100440 376681080 /nfs/dbraw/zinc/68/10/80/376681080.db2.gz ZZRVILMBBINFFG-UHFFFAOYSA-N 1 0 250.342 3.461 20 5 CGBDRO CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)[C@H]1CCCO1 ZINC000246581448 377055895 /nfs/dbraw/zinc/05/58/95/377055895.db2.gz YQSQOERTANITHL-BYCMXARLSA-N 1 0 278.352 3.203 20 5 CGBDRO CC[C@@H](C)[N@H+](C)CCN[C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000247148844 377167262 /nfs/dbraw/zinc/16/72/62/377167262.db2.gz WVOKDLVHKYLNHU-TZMCWYRMSA-N 1 0 293.411 3.284 20 5 CGBDRO CO[C@@H]1CCC[C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000341268987 377480260 /nfs/dbraw/zinc/48/02/60/377480260.db2.gz LKWBHERNZUZFTQ-LTVAEWHBSA-N 1 0 290.363 3.013 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCc1ccccc1)CC2 ZINC000088605313 249027427 /nfs/dbraw/zinc/02/74/27/249027427.db2.gz ZALJHCVCMVOETP-UHFFFAOYSA-N 1 0 282.343 3.196 20 5 CGBDRO C[C@@H]1C[C@@H](Nc2ccc(Cl)cc2[N+](=O)[O-])CC[N@@H+]1C ZINC000090795028 249029228 /nfs/dbraw/zinc/02/92/28/249029228.db2.gz FPMFOTBLMDQZTG-KOLCDFICSA-N 1 0 283.759 3.143 20 5 CGBDRO Cc1cc(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(F)cc1[N+](=O)[O-] ZINC000314234520 249095398 /nfs/dbraw/zinc/09/53/98/249095398.db2.gz XJXWJHPGRJHADO-VXGBXAGGSA-N 1 0 293.342 3.081 20 5 CGBDRO CCOC1CC([N@H+](C)C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000515712227 249218936 /nfs/dbraw/zinc/21/89/36/249218936.db2.gz QQORNQUDFALODD-SOFGYWHQSA-N 1 0 290.363 3.107 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000574219426 377637021 /nfs/dbraw/zinc/63/70/21/377637021.db2.gz MXAQLYKWUDKMPB-CQSZACIVSA-N 1 0 292.379 3.113 20 5 CGBDRO CCC[C@H]([NH2+][C@@H](C)C[C@H](C)O)c1cccc([N+](=O)[O-])c1 ZINC000252767675 377661870 /nfs/dbraw/zinc/66/18/70/377661870.db2.gz RELSPTATKJLYQY-HUBLWGQQSA-N 1 0 280.368 3.185 20 5 CGBDRO O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@H]2C2CCC2)c1 ZINC000343012753 377882892 /nfs/dbraw/zinc/88/28/92/377882892.db2.gz YBXPVVWSUSHDFJ-HNNXBMFYSA-N 1 0 260.337 3.359 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C1CC(C)(F)C1 ZINC000575992518 378006669 /nfs/dbraw/zinc/00/66/69/378006669.db2.gz WHYOKIASLXYIHA-IFQILLTASA-N 1 0 266.316 3.444 20 5 CGBDRO CS[C@H](C[NH2+]Cc1ccc([N+](=O)[O-])cc1)C(C)(C)C ZINC000578397308 378064582 /nfs/dbraw/zinc/06/45/82/378064582.db2.gz VAMCKVVLEFRCCS-CYBMUJFWSA-N 1 0 282.409 3.462 20 5 CGBDRO C[C@@H]([NH2+]C[C@H]1COc2ccccc21)c1cccc([N+](=O)[O-])c1 ZINC000343929714 378137189 /nfs/dbraw/zinc/13/71/89/378137189.db2.gz LFISVBPPHKHDGP-OCCSQVGLSA-N 1 0 298.342 3.422 20 5 CGBDRO CCC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000268910884 378149919 /nfs/dbraw/zinc/14/99/19/378149919.db2.gz SVEIITKBWPJOJN-SWLSCSKDSA-N 1 0 280.368 3.105 20 5 CGBDRO CC(C)C1([NH2+]Cc2ccc(F)cc2[N+](=O)[O-])CC1 ZINC000595504510 378401903 /nfs/dbraw/zinc/40/19/03/378401903.db2.gz FCPWSVUBMKEQFZ-UHFFFAOYSA-N 1 0 252.289 3.012 20 5 CGBDRO CCOc1ccc([C@@H](C)[NH2+]CC[C@H](C)OC)cc1[N+](=O)[O-] ZINC000271154762 378465420 /nfs/dbraw/zinc/46/54/20/378465420.db2.gz RABHLPYLFNTWAF-NWDGAFQWSA-N 1 0 296.367 3.069 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000272518056 378656606 /nfs/dbraw/zinc/65/66/06/378656606.db2.gz KYMVUSYYLVLNKS-XJKCOSOUSA-N 1 0 292.379 3.139 20 5 CGBDRO C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000272519099 378656835 /nfs/dbraw/zinc/65/68/35/378656835.db2.gz XZCWPTXYDIVTHH-ZANVPECISA-N 1 0 252.289 3.012 20 5 CGBDRO C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCc1ccccn1 ZINC000348291880 378889733 /nfs/dbraw/zinc/88/97/33/378889733.db2.gz JXUUMSIHSBXGLE-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO CCC[C@H]([NH2+]CCC(C)(C)O)c1cccc([N+](=O)[O-])c1 ZINC000274788835 378895711 /nfs/dbraw/zinc/89/57/11/378895711.db2.gz NKTDJWAHKNJYPL-AWEZNQCLSA-N 1 0 280.368 3.187 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH+]2CCC(C(F)F)CC2)cc1 ZINC000353685901 220255970 /nfs/dbraw/zinc/25/59/70/220255970.db2.gz VPLVPUHMIMRQEM-UHFFFAOYSA-N 1 0 270.279 3.072 20 5 CGBDRO C[C@H]([NH2+]C1CC(F)(F)C1)c1ccc([N+](=O)[O-])cc1 ZINC000277006304 379043562 /nfs/dbraw/zinc/04/35/62/379043562.db2.gz BEMBPRUBHYVORN-QMMMGPOBSA-N 1 0 256.252 3.043 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CC2CC2)cc(C(F)(F)F)c1 ZINC000278688742 194104029 /nfs/dbraw/zinc/10/40/29/194104029.db2.gz IPHCVVCLTRYBQC-UHFFFAOYSA-N 1 0 274.242 3.113 20 5 CGBDRO CC1(C)CC[C@@H]([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)C1 ZINC000278706866 194113981 /nfs/dbraw/zinc/11/39/81/194113981.db2.gz OEFZERNFLADHSR-SNVBAGLBSA-N 1 0 288.351 3.139 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+](C)CCCCCO ZINC000278819365 194168512 /nfs/dbraw/zinc/16/85/12/194168512.db2.gz HJOJVLMMJSOGOI-ZDUSSCGKSA-N 1 0 280.368 3.059 20 5 CGBDRO CCN(CCC[NH+](C)C)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000349364123 379250111 /nfs/dbraw/zinc/25/01/11/379250111.db2.gz FTXGUNSYAWCIQC-UHFFFAOYSA-N 1 0 299.802 3.022 20 5 CGBDRO CO[C@H](C[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl)C(C)C ZINC000266633090 190272148 /nfs/dbraw/zinc/27/21/48/190272148.db2.gz QNCADKSBGAWEKR-CYBMUJFWSA-N 1 0 286.759 3.009 20 5 CGBDRO CC(C)n1nccc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000279963476 379564582 /nfs/dbraw/zinc/56/45/82/379564582.db2.gz PHLBXLMHZPJKIE-LBPRGKRZSA-N 1 0 288.351 3.223 20 5 CGBDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCSC2)cccc1[N+](=O)[O-] ZINC000280176255 379631268 /nfs/dbraw/zinc/63/12/68/379631268.db2.gz UBVZQVRMJMDHHD-RYUDHWBXSA-N 1 0 280.393 3.307 20 5 CGBDRO CC(C)CC[C@@H](O)C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000280216100 379643867 /nfs/dbraw/zinc/64/38/67/379643867.db2.gz KPKLESXPLSPLIY-SWLSCSKDSA-N 1 0 280.368 3.043 20 5 CGBDRO Cc1cccc(CC[NH2+][C@H](C)c2ccc(C)c([N+](=O)[O-])c2)n1 ZINC000280276160 379662770 /nfs/dbraw/zinc/66/27/70/379662770.db2.gz YFRSEDUJKOZCEH-CQSZACIVSA-N 1 0 299.374 3.500 20 5 CGBDRO C[C@@H]1CCC[C@@H]1[NH2+]Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000352403531 379798096 /nfs/dbraw/zinc/79/80/96/379798096.db2.gz VWZYOINVNATMSQ-OQPBUACISA-N 1 0 270.279 3.151 20 5 CGBDRO Cc1cc(N[C@@H](C)C[N@@H+](C)C(C)C)ccc1[N+](=O)[O-] ZINC000388382792 379886538 /nfs/dbraw/zinc/88/65/38/379886538.db2.gz SGMAAHZMOXELCC-LBPRGKRZSA-N 1 0 265.357 3.044 20 5 CGBDRO CC(C)SCC[N@H+](C)Cc1ccccc1[N+](=O)[O-] ZINC000283702852 380083597 /nfs/dbraw/zinc/08/35/97/380083597.db2.gz YMTHFBGNGPGPDZ-UHFFFAOYSA-N 1 0 268.382 3.168 20 5 CGBDRO Cc1ccc(C[NH2+]Cc2ccc3cc[nH]c3n2)cc1[N+](=O)[O-] ZINC000353206703 380167617 /nfs/dbraw/zinc/16/76/17/380167617.db2.gz GKQDGCNAFZGBGW-UHFFFAOYSA-N 1 0 296.330 3.069 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CS[C@H](C)C1 ZINC000414222769 380203949 /nfs/dbraw/zinc/20/39/49/380203949.db2.gz FQOVRIRYSGTJNL-BZPMIXESSA-N 1 0 294.420 3.400 20 5 CGBDRO CC[NH+](CC)[C@H]1CCN([C@H](C)c2ccccc2[N+](=O)[O-])C1 ZINC000266571961 284831976 /nfs/dbraw/zinc/83/19/76/284831976.db2.gz DKMGGNHPUGYCEV-KGLIPLIRSA-N 1 0 291.395 3.072 20 5 CGBDRO C[C@H]1[C@@H](C)[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1C ZINC000419373623 380820019 /nfs/dbraw/zinc/82/00/19/380820019.db2.gz OMRVRSURJGKQCD-GMTAPVOTSA-N 1 0 289.335 3.212 20 5 CGBDRO Cc1cc(NCC(C)(C)[NH3+])c(C(F)(F)F)cc1[N+](=O)[O-] ZINC000360082861 381440519 /nfs/dbraw/zinc/44/05/19/381440519.db2.gz NOQPYDMGZJREBM-UHFFFAOYSA-N 1 0 291.273 3.071 20 5 CGBDRO CC(C)[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C1CCC1 ZINC000740886333 572466294 /nfs/dbraw/zinc/46/62/94/572466294.db2.gz MLPIAUZLJDOBHI-UHFFFAOYSA-N 1 0 266.316 3.497 20 5 CGBDRO COc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)c([N+](=O)[O-])cc1F ZINC000362315823 381940255 /nfs/dbraw/zinc/94/02/55/381940255.db2.gz IOKFHZGORGQTFL-QWRGUYRKSA-N 1 0 296.342 3.363 20 5 CGBDRO COc1ccc(C[NH2+]C2CCC3(CC3)CC2)cc1[N+](=O)[O-] ZINC000362928485 382152749 /nfs/dbraw/zinc/15/27/49/382152749.db2.gz SWXABCDMKYONQW-UHFFFAOYSA-N 1 0 290.363 3.416 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)cc1 ZINC000246206139 285113455 /nfs/dbraw/zinc/11/34/55/285113455.db2.gz XQFROQMSQXWZHZ-HUUCEWRRSA-N 1 0 292.404 3.455 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCC23CCCC3)cc1 ZINC000189159596 285115693 /nfs/dbraw/zinc/11/56/93/285115693.db2.gz RPLNVZJWETWNSN-AWEZNQCLSA-N 1 0 260.337 3.407 20 5 CGBDRO CC[N@H+](Cc1csc([N+](=O)[O-])c1)[C@@H]1CCOC(C)(C)C1 ZINC000289369613 197315497 /nfs/dbraw/zinc/31/54/97/197315497.db2.gz BBUMRSZVMMFAGT-GFCCVEGCSA-N 1 0 298.408 3.436 20 5 CGBDRO O=[N+]([O-])c1ccc(N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000265530610 285123321 /nfs/dbraw/zinc/12/33/21/285123321.db2.gz AWVYTLYJMDUDAM-CQSZACIVSA-N 1 0 289.379 3.050 20 5 CGBDRO CCO[C@@H]1C[C@H]([N@H+](C)Cc2cccc([N+](=O)[O-])c2)C1(C)C ZINC000353819814 220348307 /nfs/dbraw/zinc/34/83/07/220348307.db2.gz UYBYWGIPTBBLTP-LSDHHAIUSA-N 1 0 292.379 3.230 20 5 CGBDRO C[C@H](C[N@@H+]1CCC[C@@H](C)C1)Nc1sccc1[N+](=O)[O-] ZINC000302003281 542414055 /nfs/dbraw/zinc/41/40/55/542414055.db2.gz TXABPAOYWWMXBC-GHMZBOCLSA-N 1 0 283.397 3.189 20 5 CGBDRO CCSCCC[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000282054740 195490507 /nfs/dbraw/zinc/49/05/07/195490507.db2.gz PPPDVMUPPWTQHY-VMPITWQZSA-N 1 0 280.393 3.341 20 5 CGBDRO C[C@H]([NH2+]CCc1ccccc1[N+](=O)[O-])c1cccc(O)c1 ZINC000282473520 195620211 /nfs/dbraw/zinc/62/02/11/195620211.db2.gz WNGIQXBOSLVRJB-LBPRGKRZSA-N 1 0 286.331 3.194 20 5 CGBDRO C[C@@H]1C[C@@H]([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CS1 ZINC000414502156 533641140 /nfs/dbraw/zinc/64/11/40/533641140.db2.gz OUAUZNBGSPKUGE-DMBZQDCGSA-N 1 0 278.377 3.092 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C)O2)cc1[N+](=O)[O-] ZINC000191062776 130177922 /nfs/dbraw/zinc/17/79/22/130177922.db2.gz SYUUNENWWGVSQT-OUCADQQQSA-N 1 0 278.352 3.121 20 5 CGBDRO CC(C)OCCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000037177160 391980681 /nfs/dbraw/zinc/98/06/81/391980681.db2.gz RTPZVDQEYGLWMK-GFCCVEGCSA-N 1 0 266.341 3.061 20 5 CGBDRO C[N@H+](CCc1ccc(F)cc1)Cc1ccc([N+](=O)[O-])cc1 ZINC000055022859 392095276 /nfs/dbraw/zinc/09/52/76/392095276.db2.gz XVYGJBMHCRYOHD-UHFFFAOYSA-N 1 0 288.322 3.408 20 5 CGBDRO CC(C)CC[C@@H](C)[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000069234306 392172622 /nfs/dbraw/zinc/17/26/22/392172622.db2.gz CTEZCFCICDCEOO-CYBMUJFWSA-N 1 0 280.368 3.388 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC23CCC3)cc1 ZINC000281974246 392266725 /nfs/dbraw/zinc/26/67/25/392266725.db2.gz BQXBPCGXISLEBN-AWEZNQCLSA-N 1 0 260.337 3.060 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)cc1[N+](=O)[O-] ZINC000246870068 131098439 /nfs/dbraw/zinc/09/84/39/131098439.db2.gz FCIJAQPSVAGNIX-JGGQBBKZSA-N 1 0 292.379 3.105 20 5 CGBDRO CCOC[C@H]1CCC[N@@H+]([C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000247020320 131099309 /nfs/dbraw/zinc/09/93/09/131099309.db2.gz QKJCVNWISIWJTC-KGLIPLIRSA-N 1 0 292.379 3.404 20 5 CGBDRO C[C@H](Cc1ccncc1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000361964526 392375151 /nfs/dbraw/zinc/37/51/51/392375151.db2.gz AHQARTUUKUQOGQ-CHWSQXEVSA-N 1 0 285.347 3.272 20 5 CGBDRO C[C@@H](O)C[N@H+](Cc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000263725390 131316627 /nfs/dbraw/zinc/31/66/27/131316627.db2.gz DEYBHQNHZIHVFO-CYBMUJFWSA-N 1 0 292.379 3.110 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1ccc(C)c([N+](=O)[O-])c1 ZINC000509384000 392747321 /nfs/dbraw/zinc/74/73/21/392747321.db2.gz CYXJLQUQGKNOPA-LLVKDONJSA-N 1 0 250.342 3.381 20 5 CGBDRO CC[N@@H+](Cc1cc(OC)c(OC)cc1[N+](=O)[O-])CC(C)C ZINC000179301895 392696088 /nfs/dbraw/zinc/69/60/88/392696088.db2.gz KRBKSVINPIXVDJ-UHFFFAOYSA-N 1 0 296.367 3.090 20 5 CGBDRO CCC[C@H](C)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000511136748 392830550 /nfs/dbraw/zinc/83/05/50/392830550.db2.gz KIZWSYONRIYXHI-LBPRGKRZSA-N 1 0 250.342 3.258 20 5 CGBDRO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000336811966 392869619 /nfs/dbraw/zinc/86/96/19/392869619.db2.gz PLVYNKAYBMKUMN-QWRGUYRKSA-N 1 0 266.316 3.497 20 5 CGBDRO CC[C@@](C)(O)C[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000278978446 393330758 /nfs/dbraw/zinc/33/07/58/393330758.db2.gz CTHQURDNONWZBU-GOEBONIOSA-N 1 0 292.379 3.068 20 5 CGBDRO CC[C@@H]1[C@H](C)CC[N@@H+]1Cc1cc(OC)c(F)cc1[N+](=O)[O-] ZINC000481390586 393437565 /nfs/dbraw/zinc/43/75/65/393437565.db2.gz ZCSFMZKYYSYYFS-ZWNOBZJWSA-N 1 0 296.342 3.363 20 5 CGBDRO Cc1cc(NC2CCC([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000420622032 393509174 /nfs/dbraw/zinc/50/91/74/393509174.db2.gz FAMOTGFIVORCDY-UHFFFAOYSA-N 1 0 277.368 3.188 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1C[N@H+]([C@H](C)C1CC1)C1CC1 ZINC000430210681 393539099 /nfs/dbraw/zinc/53/90/99/393539099.db2.gz VBAYUEHHRPUHKJ-LLVKDONJSA-N 1 0 290.363 3.366 20 5 CGBDRO Cc1ccc(C[N@@H+]2CC(C)=C[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000430867558 393600863 /nfs/dbraw/zinc/60/08/63/393600863.db2.gz KWCZZGSWAXTVND-LLVKDONJSA-N 1 0 260.337 3.301 20 5 CGBDRO C[N@H+](Cc1csc([N+](=O)[O-])c1)C1(C)CCCC1 ZINC000489846283 393616627 /nfs/dbraw/zinc/61/66/27/393616627.db2.gz BYDATTQMYVUJFW-UHFFFAOYSA-N 1 0 254.355 3.421 20 5 CGBDRO CCC[C@H](N[C@@H]1CCCC[C@H]1[NH3+])c1cccc([N+](=O)[O-])c1 ZINC000424380282 393683053 /nfs/dbraw/zinc/68/30/53/393683053.db2.gz WQXNLUGAYXCMNX-OWCLPIDISA-N 1 0 291.395 3.296 20 5 CGBDRO C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCCF ZINC000361061083 393661898 /nfs/dbraw/zinc/66/18/98/393661898.db2.gz ORTRLKLGODUKPJ-FMIVXFBMSA-N 1 0 266.316 3.337 20 5 CGBDRO Cc1ccncc1[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000361148903 393686258 /nfs/dbraw/zinc/68/62/58/393686258.db2.gz INWNJMKEJJDJGT-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCSC[C@@H]1C1CC1 ZINC000449527158 393884576 /nfs/dbraw/zinc/88/45/76/393884576.db2.gz GNLFITLPXSWYLJ-OAHLLOKOSA-N 1 0 292.404 3.231 20 5 CGBDRO O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H](C3CC3)[C@@H]2C2CC2)c(F)c1 ZINC000449531647 393885134 /nfs/dbraw/zinc/88/51/34/393885134.db2.gz BYIYLSHUHCZUEW-HOCLYGCPSA-N 1 0 290.338 3.354 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]CCC2CC(F)(F)C2)cs1 ZINC000453582834 394250330 /nfs/dbraw/zinc/25/03/30/394250330.db2.gz CBCNTCILKLAZMF-UHFFFAOYSA-N 1 0 276.308 3.181 20 5 CGBDRO CCOCCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000090723131 286049709 /nfs/dbraw/zinc/04/97/09/286049709.db2.gz NBFRLGNMKHDGMY-CYBMUJFWSA-N 1 0 292.379 3.452 20 5 CGBDRO C[C@@H](CNc1ccc(F)cc1[N+](=O)[O-])C[NH+]1CCCCC1 ZINC000059402359 286953969 /nfs/dbraw/zinc/95/39/69/286953969.db2.gz IXBXOXAOJLRINV-LBPRGKRZSA-N 1 0 295.358 3.268 20 5 CGBDRO Cc1ccc(C[NH2+]CC2(O)CCCCCC2)cc1[N+](=O)[O-] ZINC000079619157 165147856 /nfs/dbraw/zinc/14/78/56/165147856.db2.gz YQICUDCTPYDRMB-UHFFFAOYSA-N 1 0 292.379 3.078 20 5 CGBDRO CC[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C[C@@H]1CCCO1 ZINC000092406979 165293877 /nfs/dbraw/zinc/29/38/77/165293877.db2.gz JGIYKVRDQFAIPB-PXTSUWAFSA-N 1 0 290.363 3.109 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCCOCC2CC2)cc1[N+](=O)[O-] ZINC000020191275 171057776 /nfs/dbraw/zinc/05/77/76/171057776.db2.gz UYFCUOJACNRMIJ-CYBMUJFWSA-N 1 0 292.379 3.371 20 5 CGBDRO C[C@H](c1cccnc1)[N@H+](C)CCc1ccccc1[N+](=O)[O-] ZINC000285236576 196229132 /nfs/dbraw/zinc/22/91/32/196229132.db2.gz GHEXXECXIMTRRW-CYBMUJFWSA-N 1 0 285.347 3.225 20 5 CGBDRO CC[NH+]1CCC(N[C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000038098009 174112494 /nfs/dbraw/zinc/11/24/94/174112494.db2.gz OJCUOIOSZFGUGM-ZDUSSCGKSA-N 1 0 291.395 3.038 20 5 CGBDRO Cc1ccc([C@H](C)[NH2+]CCc2ccc([N+](=O)[O-])cc2)o1 ZINC000038097738 174112911 /nfs/dbraw/zinc/11/29/11/174112911.db2.gz BFLANHOOSAPAKO-LBPRGKRZSA-N 1 0 274.320 3.390 20 5 CGBDRO Cc1ncsc1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1 ZINC000071212578 176083986 /nfs/dbraw/zinc/08/39/86/176083986.db2.gz AWWSODYECNIZBM-VIFPVBQESA-N 1 0 277.349 3.211 20 5 CGBDRO Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000354790542 227111046 /nfs/dbraw/zinc/11/10/46/227111046.db2.gz LHGQSJYKBKFBCQ-INIZCTEOSA-N 1 0 292.379 3.150 20 5 CGBDRO CC[C@H]([NH2+]CCOC(F)(F)F)c1cccc([N+](=O)[O-])c1 ZINC000189228309 287566636 /nfs/dbraw/zinc/56/66/36/287566636.db2.gz CKSSKMNGRXCBSM-NSHDSACASA-N 1 0 292.257 3.172 20 5 CGBDRO CCC[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000402085763 260240421 /nfs/dbraw/zinc/24/04/21/260240421.db2.gz XRISFILGUYFQRW-LNSITVRQSA-N 1 0 278.352 3.203 20 5 CGBDRO CC(C)C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)N(C)C ZINC000037177168 270028968 /nfs/dbraw/zinc/02/89/68/270028968.db2.gz QBQQUHROVUHXNY-CZUORRHYSA-N 1 0 293.411 3.222 20 5 CGBDRO CCC[C@@H](C)C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000040675932 270029620 /nfs/dbraw/zinc/02/96/20/270029620.db2.gz LEZJDFAZAFYLPN-GFCCVEGCSA-N 1 0 250.342 3.163 20 5 CGBDRO C[C@H](C1CC1)[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000042123216 270031765 /nfs/dbraw/zinc/03/17/65/270031765.db2.gz BMABQYDVDKUOJK-LLVKDONJSA-N 1 0 260.337 3.358 20 5 CGBDRO C[C@H]1CCC[N@H+](CCNc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000107681092 270049943 /nfs/dbraw/zinc/04/99/43/270049943.db2.gz MHLRPCHNLDSRRL-NSHDSACASA-N 1 0 297.786 3.392 20 5 CGBDRO CC[C@H]([NH2+]CCC[C@H](C)CO)c1cccc([N+](=O)[O-])c1 ZINC000222594219 270086024 /nfs/dbraw/zinc/08/60/24/270086024.db2.gz XXJZUYFTMSLVPB-WFASDCNBSA-N 1 0 280.368 3.044 20 5 CGBDRO Cc1occc1C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000320945341 266024364 /nfs/dbraw/zinc/02/43/64/266024364.db2.gz CYNYYWAKROWAJL-UHFFFAOYSA-N 1 0 260.293 3.094 20 5 CGBDRO CO[C@](C)(C[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-])C1CC1 ZINC000291088250 274086637 /nfs/dbraw/zinc/08/66/37/274086637.db2.gz WSIPFVFELFJHPD-CQSZACIVSA-N 1 0 298.770 3.153 20 5 CGBDRO C[C@@H](C1CCC1)[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2[nH]1 ZINC000444688865 274206053 /nfs/dbraw/zinc/20/60/53/274206053.db2.gz LDCQRXLPDOKFJO-JTQLQIEISA-N 1 0 288.351 3.092 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2c(F)cccc2[N+](=O)[O-])[C@@H](C)[C@H]1C ZINC000419372322 274352824 /nfs/dbraw/zinc/35/28/24/274352824.db2.gz MDEXZBBEFSAEQE-VWYCJHECSA-N 1 0 266.316 3.210 20 5 CGBDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCSC2)c2cc([N+](=O)[O-])ccc21 ZINC000279169603 275861764 /nfs/dbraw/zinc/86/17/64/275861764.db2.gz UQSBHGXWYSXUND-QMTHXVAHSA-N 1 0 292.404 3.412 20 5 CGBDRO COCC[N@H+](C/C(C)=C\c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000470179088 277214116 /nfs/dbraw/zinc/21/41/16/277214116.db2.gz SAGMGGZPYOFRPL-RAXLEYEMSA-N 1 0 290.363 3.109 20 5 CGBDRO COC1([C@H](C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCCC1 ZINC000421847765 277474073 /nfs/dbraw/zinc/47/40/73/277474073.db2.gz YOGBYZYMFQZXHM-ZDUSSCGKSA-N 1 0 292.379 3.422 20 5 CGBDRO COCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000337468916 277548359 /nfs/dbraw/zinc/54/83/59/277548359.db2.gz MUHBOZVACIITJI-DZGCQCFKSA-N 1 0 292.379 3.198 20 5 CGBDRO CO[C@@H]1CCCC[C@H]1[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449149244 277644357 /nfs/dbraw/zinc/64/43/57/277644357.db2.gz MUGSMBZXDDMION-XNRPHZJLSA-N 1 0 292.379 3.073 20 5 CGBDRO CO[C@H]1CCCC[C@H]1[NH2+]Cc1c(Cl)cccc1[N+](=O)[O-] ZINC000361763743 287985229 /nfs/dbraw/zinc/98/52/29/287985229.db2.gz FWBNCTKFWHQBMK-OCCSQVGLSA-N 1 0 298.770 3.295 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)[C@@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000397584159 288024659 /nfs/dbraw/zinc/02/46/59/288024659.db2.gz GWGXPGRRACYHJQ-PWSUYJOCSA-N 1 0 278.352 3.128 20 5 CGBDRO COc1ccc(C[NH2+][C@H](C)[C@H]2CC2(C)C)cc1[N+](=O)[O-] ZINC000397584161 288024700 /nfs/dbraw/zinc/02/47/00/288024700.db2.gz GWGXPGRRACYHJQ-ZYHUDNBSSA-N 1 0 278.352 3.128 20 5 CGBDRO C[C@H]([NH2+][C@H]1CS[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000397916633 288034772 /nfs/dbraw/zinc/03/47/72/288034772.db2.gz ISHWYXXQNPGOAU-JFGNBEQYSA-N 1 0 266.366 3.139 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)c1ccc([N+](=O)[O-])cc1 ZINC000459778486 278370608 /nfs/dbraw/zinc/37/06/08/278370608.db2.gz LSUOAQIJAUYYPV-WAZAZEMKSA-N 1 0 260.337 3.434 20 5 CGBDRO CC(C)([NH2+]Cc1csc([N+](=O)[O-])c1)C1CCC1 ZINC000398151964 288039538 /nfs/dbraw/zinc/03/95/38/288039538.db2.gz SMBFKBYQBPANRF-UHFFFAOYSA-N 1 0 254.355 3.325 20 5 CGBDRO CCN(CCC[NH+](CC)CC)Cc1ccccc1[N+](=O)[O-] ZINC000338240136 279094316 /nfs/dbraw/zinc/09/43/16/279094316.db2.gz UITWYJWSWXWTBA-UHFFFAOYSA-N 1 0 293.411 3.149 20 5 CGBDRO C[C@H]([NH2+][C@H]1CCC[C@H]1F)c1ccc([N+](=O)[O-])cc1 ZINC000340521901 279537155 /nfs/dbraw/zinc/53/71/55/279537155.db2.gz GRBFTGFRWCSUJF-BIMULSAOSA-N 1 0 252.289 3.136 20 5 CGBDRO O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@H]1CCC[C@H]1F)C1CC1 ZINC000551304685 289109683 /nfs/dbraw/zinc/10/96/83/289109683.db2.gz MTCYNTQJDPRQNR-ILXRZTDVSA-N 1 0 292.354 3.396 20 5 CGBDRO C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@H]1C ZINC000552320981 289181197 /nfs/dbraw/zinc/18/11/97/289181197.db2.gz IPLCAMCWJAPLLX-YRGRVCCFSA-N 1 0 262.353 3.304 20 5 CGBDRO CO[C@@](C)([C@H](C)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000414239406 294108653 /nfs/dbraw/zinc/10/86/53/294108653.db2.gz YPIUDYHPJOPMMC-MKBNYLNASA-N 1 0 292.379 3.449 20 5 CGBDRO COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C(C)C)C1CC1 ZINC000324366975 321962106 /nfs/dbraw/zinc/96/21/06/321962106.db2.gz IWSTVJKIIYSPHW-HNNXBMFYSA-N 1 0 278.352 3.128 20 5 CGBDRO CC(C)O[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000566242876 322111166 /nfs/dbraw/zinc/11/11/66/322111166.db2.gz PJLKTRVWMYIURY-KEDPEKRHSA-N 1 0 290.363 3.107 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](c3ccncc3)C2)cc1 ZINC000569668805 322253471 /nfs/dbraw/zinc/25/34/71/322253471.db2.gz CLUZTIPTZXCKRK-MRXNPFEDSA-N 1 0 297.358 3.022 20 5 CGBDRO CCC[C@@H](C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C)OC ZINC000570163213 322266418 /nfs/dbraw/zinc/26/64/18/322266418.db2.gz DHVWIXHSZSZEDI-JSGCOSHPSA-N 1 0 280.368 3.369 20 5 CGBDRO O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC000583934071 326801163 /nfs/dbraw/zinc/80/11/63/326801163.db2.gz LABZYXAKFIIHHC-GNXSNYGWSA-N 1 0 278.327 3.478 20 5 CGBDRO O=[N+]([O-])c1ccc2[nH]cc(CC[NH2+][C@H]3CC[C@H]3C3CC3)c2c1 ZINC000584195838 327062920 /nfs/dbraw/zinc/06/29/20/327062920.db2.gz TWWCDYXPZHJMGI-HOCLYGCPSA-N 1 0 299.374 3.397 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CSC2(C)C)cc1[N+](=O)[O-] ZINC000393874182 329091136 /nfs/dbraw/zinc/09/11/36/329091136.db2.gz CRDKZRBTEWQVCN-ZWNOBZJWSA-N 1 0 280.393 3.448 20 5 CGBDRO O=[N+]([O-])c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cs1 ZINC000576104531 335154646 /nfs/dbraw/zinc/15/46/46/335154646.db2.gz OWKXWGLFALESTJ-CHWSQXEVSA-N 1 0 296.392 3.047 20 5 CGBDRO C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C(C)C)c([N+](=O)[O-])c1 ZINC000349822112 335484254 /nfs/dbraw/zinc/48/42/54/335484254.db2.gz OOSLAOBGQXEJAR-ZRUQZJFASA-N 1 0 292.379 3.135 20 5 CGBDRO COCC1(CC[NH2+][C@@H](C)c2ccc(C)c([N+](=O)[O-])c2)CC1 ZINC000578236823 335590076 /nfs/dbraw/zinc/59/00/76/335590076.db2.gz NRIKXTVABMBUAI-ZDUSSCGKSA-N 1 0 292.379 3.371 20 5 CGBDRO CCC(CC)(C[NH2+]Cc1ccc(C)c([N+](=O)[O-])c1)OC ZINC000380689580 336017794 /nfs/dbraw/zinc/01/77/94/336017794.db2.gz LOVQHASDTVXGNW-UHFFFAOYSA-N 1 0 280.368 3.198 20 5 CGBDRO CC[C@@H]1CCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000382507488 336091859 /nfs/dbraw/zinc/09/18/59/336091859.db2.gz NDVWOKYTMZBQHG-GFCCVEGCSA-N 1 0 266.316 3.498 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]Cc1ccsc1 ZINC000449057770 534254248 /nfs/dbraw/zinc/25/42/48/534254248.db2.gz DWHZRNDHDQYBSW-NSHDSACASA-N 1 0 276.361 3.377 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC(F)(F)F ZINC000449165756 534254254 /nfs/dbraw/zinc/25/42/54/534254254.db2.gz ATEYNPYPKBAFLV-JTQLQIEISA-N 1 0 290.285 3.458 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H](C)C1 ZINC000449265186 534254487 /nfs/dbraw/zinc/25/44/87/534254487.db2.gz PAHUFIHWPMQXEO-MBNYWOFBSA-N 1 0 262.353 3.304 20 5 CGBDRO CC[C@@H](C)C[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000083171440 521971822 /nfs/dbraw/zinc/97/18/22/521971822.db2.gz VWOXKYARKAKVFA-SNVBAGLBSA-N 1 0 277.324 3.214 20 5 CGBDRO CC[C@H]([NH2+]CC1(N(C)C)CCC1)c1cccc([N+](=O)[O-])c1 ZINC000097928458 522573560 /nfs/dbraw/zinc/57/35/60/522573560.db2.gz CMXJUHAZYHGQRB-HNNXBMFYSA-N 1 0 291.395 3.120 20 5 CGBDRO COC[C@H]([NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1)C(C)C ZINC000086695536 522760478 /nfs/dbraw/zinc/76/04/78/522760478.db2.gz FKOMNJKEJPDMHT-JSGCOSHPSA-N 1 0 280.368 3.225 20 5 CGBDRO C[C@H](C[N@H+](C)Cc1ccccc1[N+](=O)[O-])c1nccs1 ZINC000183958412 524299449 /nfs/dbraw/zinc/29/94/49/524299449.db2.gz HELKNPCXFHISTM-LLVKDONJSA-N 1 0 291.376 3.287 20 5 CGBDRO CC(C)([NH3+])CN[C@H](c1ccccc1)c1cccc([N+](=O)[O-])c1 ZINC000423287837 527259214 /nfs/dbraw/zinc/25/92/14/527259214.db2.gz OULDVPFHVCXAQD-MRXNPFEDSA-N 1 0 299.374 3.011 20 5 CGBDRO CC(C)=CCC[NH2+]Cc1ccc([N+](=O)[O-])cc1F ZINC000359694247 527407256 /nfs/dbraw/zinc/40/72/56/527407256.db2.gz IIBJMSHKEPWJGN-UHFFFAOYSA-N 1 0 252.289 3.180 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H]1CC12CC2 ZINC000418105987 527501500 /nfs/dbraw/zinc/50/15/00/527501500.db2.gz YRDDWFKDOPFUTC-VDBIKXPHSA-N 1 0 272.348 3.388 20 5 CGBDRO CCC[C@H](N[C@@H]1C[NH2+]CC[C@@H]1C)c1cccc([N+](=O)[O-])c1 ZINC000423371956 528237663 /nfs/dbraw/zinc/23/76/63/528237663.db2.gz VPTWYNDEVQJDOB-VBNZEHGJSA-N 1 0 291.395 3.024 20 5 CGBDRO CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC23CC3)cc1[N+](=O)[O-] ZINC000417333597 528606866 /nfs/dbraw/zinc/60/68/66/528606866.db2.gz GEMIVEYXSQSQHK-AAEUAGOBSA-N 1 0 290.363 3.444 20 5 CGBDRO CC[C@@H]([NH2+][C@@H](COC)C1CC1)c1cccc([N+](=O)[O-])c1 ZINC000161636595 529201914 /nfs/dbraw/zinc/20/19/14/529201914.db2.gz MQFSLDFGBGCKBY-CABCVRRESA-N 1 0 278.352 3.061 20 5 CGBDRO CC(C)[C@H]([NH3+])CCN(C)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000128454035 535062621 /nfs/dbraw/zinc/06/26/21/535062621.db2.gz PMAYUMQWZXUAOK-CYBMUJFWSA-N 1 0 299.802 3.053 20 5 CGBDRO CC[C@H]([NH2+]CC[C@H]1CCOC1)c1cccc([N+](=O)[O-])c1 ZINC000230408647 535906282 /nfs/dbraw/zinc/90/62/82/535906282.db2.gz WVGUURBSYIVATA-WFASDCNBSA-N 1 0 278.352 3.062 20 5 CGBDRO CO[C@H]1CCC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000746753926 572895035 /nfs/dbraw/zinc/89/50/35/572895035.db2.gz IVLHKEBPDGDVQS-AAEUAGOBSA-N 1 0 298.770 3.295 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000052085755 618688142 /nfs/dbraw/zinc/68/81/42/618688142.db2.gz XNRBAHMTTSIIFQ-GFCCVEGCSA-N 1 0 288.351 3.024 20 5 CGBDRO O=[N+]([O-])c1cc(C[NH2+]C2(CO)CCCCC2)ccc1Cl ZINC000157860084 618752275 /nfs/dbraw/zinc/75/22/75/618752275.db2.gz GLZCOKIFYMOEKP-UHFFFAOYSA-N 1 0 298.770 3.033 20 5 CGBDRO O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177521818 618826450 /nfs/dbraw/zinc/82/64/50/618826450.db2.gz ZQKSCGJCFQUPCC-TXEJJXNPSA-N 1 0 278.327 3.356 20 5 CGBDRO CC(C)[N@H+](C)C[C@@H](C)Nc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311920991 618947347 /nfs/dbraw/zinc/94/73/47/618947347.db2.gz ULTUIUSCERLMMD-SNVBAGLBSA-N 1 0 285.775 3.389 20 5 CGBDRO COc1c(O)ccc(C[N@H+](C)C2(C)CCCC2)c1[N+](=O)[O-] ZINC000894105925 619375698 /nfs/dbraw/zinc/37/56/98/619375698.db2.gz UYRKZBFWFSLKCU-UHFFFAOYSA-N 1 0 294.351 3.074 20 5 CGBDRO C[C@@H]1CCC[N@H+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000052085740 619390485 /nfs/dbraw/zinc/39/04/85/619390485.db2.gz SFJHJQDQYOVTEH-GFCCVEGCSA-N 1 0 288.351 3.024 20 5 CGBDRO COC1CC(CC[NH2+]Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000895304899 619800709 /nfs/dbraw/zinc/80/07/09/619800709.db2.gz RGLORWYAQVVICN-UHFFFAOYSA-N 1 0 298.770 3.153 20 5 CGBDRO CC(C)(/C=C/Cl)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000896747075 620055852 /nfs/dbraw/zinc/05/58/52/620055852.db2.gz JQZWFFZXFGRBLW-CMDGGOBGSA-N 1 0 268.744 3.258 20 5 CGBDRO CC[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[C@H]1CC1(C)C ZINC000840722618 620203099 /nfs/dbraw/zinc/20/30/99/620203099.db2.gz LUXWSSMXUQXWRN-QLFBSQMISA-N 1 0 292.379 3.043 20 5 CGBDRO Cc1nc(C)c(C[NH2+]C[C@@H](C)c2ccccc2[N+](=O)[O-])o1 ZINC000897463787 620340398 /nfs/dbraw/zinc/34/03/98/620340398.db2.gz IXYJBPTVGJLGDD-SNVBAGLBSA-N 1 0 289.335 3.093 20 5 CGBDRO CCC[C@@H](C[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-])OC ZINC000897463463 620340485 /nfs/dbraw/zinc/34/04/85/620340485.db2.gz GIJCYEBNHZKYGD-OLZOCXBDSA-N 1 0 280.368 3.103 20 5 CGBDRO O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000897960113 620456858 /nfs/dbraw/zinc/45/68/58/620456858.db2.gz ZCZDKUXNUFXKHU-FDRIWYBQSA-N 1 0 272.348 3.360 20 5 CGBDRO CCC[C@H](O)CC[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000927027855 620563963 /nfs/dbraw/zinc/56/39/63/620563963.db2.gz OISQHQFXQKRVMI-JSGCOSHPSA-N 1 0 280.368 3.105 20 5 CGBDRO COc1cc([C@H](C)[NH2+]CC2CC=CC2)cc([N+](=O)[O-])c1 ZINC000903206011 621628827 /nfs/dbraw/zinc/62/88/27/621628827.db2.gz OCLPTMWFMFGRBG-NSHDSACASA-N 1 0 276.336 3.220 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](C)c1ccccc1[N+](=O)[O-] ZINC000903244891 621637034 /nfs/dbraw/zinc/63/70/34/621637034.db2.gz GAMNAPKVBFLHDG-NWDGAFQWSA-N 1 0 280.368 3.101 20 5 CGBDRO COC(C)(C)[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000903333273 621689821 /nfs/dbraw/zinc/68/98/21/621689821.db2.gz YNUCXPQQNXZLGE-WDEREUQCSA-N 1 0 298.358 3.068 20 5 CGBDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000042555319 622474302 /nfs/dbraw/zinc/47/43/02/622474302.db2.gz ROLPDTNKTYUIQO-ZYHUDNBSSA-N 1 0 250.342 3.427 20 5 CGBDRO C[C@H]1SCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000311125345 622615377 /nfs/dbraw/zinc/61/53/77/622615377.db2.gz ARJAWQWUAKRBBX-KCJUWKMLSA-N 1 0 286.784 3.232 20 5 CGBDRO CSC(C)(C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000156696184 622835923 /nfs/dbraw/zinc/83/59/23/622835923.db2.gz KRWHYWQGFHWKKN-UHFFFAOYSA-N 1 0 268.382 3.134 20 5 CGBDRO C[C@H]1CC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H](C)C1 ZINC000157714005 622940378 /nfs/dbraw/zinc/94/03/78/622940378.db2.gz NFFVNNFDEZZTNG-HSMVNMDESA-N 1 0 292.379 3.043 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000228417058 623055312 /nfs/dbraw/zinc/05/53/12/623055312.db2.gz QRWVZYYKIVMVEW-AAEUAGOBSA-N 1 0 295.770 3.287 20 5 CGBDRO CCC[C@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000154444826 624289522 /nfs/dbraw/zinc/28/95/22/624289522.db2.gz MHJAWTWHFMMSSM-BBRMVZONSA-N 1 0 292.379 3.140 20 5 CGBDRO CCC[N@H+](CC1CCCCC1)Cn1nccc1[N+](=O)[O-] ZINC000918736618 624372687 /nfs/dbraw/zinc/37/26/87/624372687.db2.gz SVMYAIWNSIJESI-UHFFFAOYSA-N 1 0 280.372 3.041 20 5 CGBDRO C[N@H+](CCC1CC1)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000175514313 624642903 /nfs/dbraw/zinc/64/29/03/624642903.db2.gz CLELXVOWUITUEX-UHFFFAOYSA-N 1 0 268.744 3.480 20 5 CGBDRO CC[NH+](CC)C[C@H](C)NCc1cc(Cl)ccc1[N+](=O)[O-] ZINC000084440082 625756128 /nfs/dbraw/zinc/75/61/28/625756128.db2.gz WTANDGMVPDROHS-NSHDSACASA-N 1 0 299.802 3.068 20 5 CGBDRO CCc1ncc(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)s1 ZINC000922538362 626011519 /nfs/dbraw/zinc/01/15/19/626011519.db2.gz QMIDPZXKGSVSFG-SNVBAGLBSA-N 1 0 291.376 3.465 20 5 CGBDRO CC(C)n1nccc1C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000922538636 626011550 /nfs/dbraw/zinc/01/15/50/626011550.db2.gz URBTVDHZAZNHPU-GFCCVEGCSA-N 1 0 288.351 3.223 20 5 CGBDRO C[C@H]1C[C@H]([NH2+]Cc2csc([N+](=O)[O-])c2)CCS1 ZINC000922844396 626056807 /nfs/dbraw/zinc/05/68/07/626056807.db2.gz WVVJSGZFUFSAET-WCBMZHEXSA-N 1 0 272.395 3.030 20 5 CGBDRO CN(CCC(=O)C(C)(C)C)Cc1ccccc1[N+](=O)[O-] ZINC000753686745 626462189 /nfs/dbraw/zinc/46/21/89/626462189.db2.gz ZIDMPWCHBZDRRM-UHFFFAOYSA-N 1 0 278.352 3.032 20 5 CGBDRO CC(C)[C@H]1CC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000755994514 626667025 /nfs/dbraw/zinc/66/70/25/626667025.db2.gz HYRXRCFYSYYUQF-NSHDSACASA-N 1 0 266.316 3.212 20 5 CGBDRO CC1(C)CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774875085 628045796 /nfs/dbraw/zinc/04/57/96/628045796.db2.gz GWJRLHWWJHCAQP-UHFFFAOYSA-N 1 0 293.323 3.125 20 5 CGBDRO CC(C)C[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777955177 628313937 /nfs/dbraw/zinc/31/39/37/628313937.db2.gz VMCSJCONKUKTMC-UHFFFAOYSA-N 1 0 288.351 3.004 20 5 CGBDRO CCCC[N@H+](C)Cn1cc(-c2cccc([N+](=O)[O-])c2)cn1 ZINC000777951943 628314183 /nfs/dbraw/zinc/31/41/83/628314183.db2.gz NYSNQVFAOPICBU-UHFFFAOYSA-N 1 0 288.351 3.148 20 5 CGBDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC=CO2)cccc1[N+](=O)[O-] ZINC000783309452 628702286 /nfs/dbraw/zinc/70/22/86/628702286.db2.gz JEOZCUFWUNJREV-OLZOCXBDSA-N 1 0 276.336 3.247 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H]1CCC=CO1 ZINC000783310578 628702327 /nfs/dbraw/zinc/70/23/27/628702327.db2.gz POQSIFYWJIIZQT-OCCSQVGLSA-N 1 0 276.336 3.247 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCCSC2)cc1Cl ZINC000783641737 628734638 /nfs/dbraw/zinc/73/46/38/628734638.db2.gz HHXHSCGPHVBPAT-SNVBAGLBSA-N 1 0 286.784 3.233 20 5 CGBDRO C[C@@H]([NH2+]CCCc1ccccc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788497432 629059385 /nfs/dbraw/zinc/05/93/85/629059385.db2.gz HIWGLEHRCIXVPI-CYBMUJFWSA-N 1 0 299.374 3.460 20 5 CGBDRO Cc1cccc(CC[NH2+][C@@H](C)c2ccc(N)c([N+](=O)[O-])c2)c1 ZINC000788582690 629066292 /nfs/dbraw/zinc/06/62/92/629066292.db2.gz IEGNQUDRKDEZLQ-ZDUSSCGKSA-N 1 0 299.374 3.379 20 5 CGBDRO CCC[C@H](CC)[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788647825 629070550 /nfs/dbraw/zinc/07/05/50/629070550.db2.gz NERRIHBEMXRLIW-PWSUYJOCSA-N 1 0 265.357 3.406 20 5 CGBDRO C[C@H](CCC1CC1)[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788752117 629079061 /nfs/dbraw/zinc/07/90/61/629079061.db2.gz UYFHDWHXCYJMRD-MNOVXSKESA-N 1 0 277.368 3.406 20 5 CGBDRO CC(C)=CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788778576 629081457 /nfs/dbraw/zinc/08/14/57/629081457.db2.gz SXWHQFBHYDRFBH-NSHDSACASA-N 1 0 263.341 3.184 20 5 CGBDRO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] ZINC000792865904 629388038 /nfs/dbraw/zinc/38/80/38/629388038.db2.gz CYOROTFKAOSBEH-PHIMTYICSA-N 1 0 293.323 3.266 20 5 CGBDRO Cc1cc([C@H](C)[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)n(C)n1 ZINC000793529742 629476735 /nfs/dbraw/zinc/47/67/35/629476735.db2.gz UHSYQZXWULOBDN-RYUDHWBXSA-N 1 0 288.351 3.049 20 5 CGBDRO CC[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])CC1CCC1 ZINC000796532731 629796847 /nfs/dbraw/zinc/79/68/47/629796847.db2.gz FUNBTKKULHJVOA-UHFFFAOYSA-N 1 0 266.316 3.356 20 5 CGBDRO CC(C)C[NH+]1CCN(c2cc(Cl)ccc2[N+](=O)[O-])CC1 ZINC000804326135 630520553 /nfs/dbraw/zinc/52/05/53/630520553.db2.gz IQESFUNQOVJPHS-UHFFFAOYSA-N 1 0 297.786 3.026 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597471 631803330 /nfs/dbraw/zinc/80/33/30/631803330.db2.gz WPYLKFWXSOFEGO-KOLCDFICSA-N 1 0 299.321 3.406 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC(F)(F)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815597470 631803604 /nfs/dbraw/zinc/80/36/04/631803604.db2.gz WPYLKFWXSOFEGO-GXSJLCMTSA-N 1 0 299.321 3.406 20 5 CGBDRO CC(C)(C)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819093830 632378679 /nfs/dbraw/zinc/37/86/79/632378679.db2.gz ZINSYCXLKSKCMZ-CQSZACIVSA-N 1 0 280.368 3.044 20 5 CGBDRO O=[N+]([O-])c1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000865855939 632920160 /nfs/dbraw/zinc/92/01/60/632920160.db2.gz ABOVGTHWUAOPKK-HNNXBMFYSA-N 1 0 290.363 3.176 20 5 CGBDRO C[C@H](CCc1cccnc1)[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000866259353 633047635 /nfs/dbraw/zinc/04/76/35/633047635.db2.gz LRBLLOAMJBVQPZ-CQSZACIVSA-N 1 0 299.374 3.143 20 5 CGBDRO C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H](C)c1ccc[nH]1 ZINC000866310932 633077151 /nfs/dbraw/zinc/07/71/51/633077151.db2.gz HGRUVWZBAGVABP-QWRGUYRKSA-N 1 0 291.326 3.344 20 5 CGBDRO C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000866381063 633112550 /nfs/dbraw/zinc/11/25/50/633112550.db2.gz GQWSACXKLHGXCD-NLRBGTRBSA-N 1 0 292.354 3.443 20 5 CGBDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000866451174 633141253 /nfs/dbraw/zinc/14/12/53/633141253.db2.gz FWWSSQABUJWCSS-XHVZSJERSA-N 1 0 281.331 3.108 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2Cl)CCO1 ZINC000823996626 633178655 /nfs/dbraw/zinc/17/86/55/633178655.db2.gz MPUUZUHQGFAGDV-YPMHNXCESA-N 1 0 298.770 3.295 20 5 CGBDRO Cc1cncc([C@@H](C)[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)c1 ZINC000866540373 633184221 /nfs/dbraw/zinc/18/42/21/633184221.db2.gz MYMBRKOOOOEODG-CYBMUJFWSA-N 1 0 285.347 3.457 20 5 CGBDRO COC[C@H]([NH2+][C@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000872039140 633959179 /nfs/dbraw/zinc/95/91/79/633959179.db2.gz QVHYKLOZPZJDDG-PWSUYJOCSA-N 1 0 284.331 3.056 20 5 CGBDRO C[C@H]([NH2+]C1CCSCC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872045675 633969428 /nfs/dbraw/zinc/96/94/28/633969428.db2.gz AAXZRDOFJYKAJL-VIFPVBQESA-N 1 0 284.356 3.280 20 5 CGBDRO C[C@@H]([NH2+]C1CC(C)C1)c1c(F)cccc1[N+](=O)[O-] ZINC000872047917 633970868 /nfs/dbraw/zinc/97/08/68/633970868.db2.gz GXGOWXSTWFTTBA-HWOCKDDLSA-N 1 0 252.289 3.183 20 5 CGBDRO C[C@H]([NH2+][C@H](CO)CC(C)(C)C)c1c(F)cccc1[N+](=O)[O-] ZINC000872051077 633974593 /nfs/dbraw/zinc/97/45/93/633974593.db2.gz FSVLOIPEDFWHEL-QWRGUYRKSA-N 1 0 298.358 3.182 20 5 CGBDRO CCC(O)(CC)CC[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-] ZINC000872064763 633987822 /nfs/dbraw/zinc/98/78/22/633987822.db2.gz LRMOUDHMKMWMQB-NSHDSACASA-N 1 0 298.358 3.326 20 5 CGBDRO CC[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000872128104 634049953 /nfs/dbraw/zinc/04/99/53/634049953.db2.gz DNGLGGDBRAEJKH-XQQFMLRXSA-N 1 0 278.352 3.203 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CC[C@H]1CCCCO1 ZINC000873102211 634246136 /nfs/dbraw/zinc/24/61/36/634246136.db2.gz MMZQMICKWCTTJH-CQSZACIVSA-N 1 0 292.379 3.260 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000873132278 634254164 /nfs/dbraw/zinc/25/41/64/634254164.db2.gz NNVXCBHVRUJQRU-BNOWGMLFSA-N 1 0 292.379 3.115 20 5 CGBDRO Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]C[C@]1(C)CC1(F)F ZINC000873137634 634256314 /nfs/dbraw/zinc/25/63/14/634256314.db2.gz CSQSNZDUGVMGCJ-ZDUSSCGKSA-N 1 0 284.306 3.347 20 5 CGBDRO CC[C@@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2[N+](=O)[O-])CCO1 ZINC000873183620 634273198 /nfs/dbraw/zinc/27/31/98/634273198.db2.gz WZHGRKLWZVEMGQ-BFHYXJOUSA-N 1 0 292.379 3.451 20 5 CGBDRO Cc1nccnc1[C@@H](C)[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000873188823 634276355 /nfs/dbraw/zinc/27/63/55/634276355.db2.gz MJLGGVPIZXNFFT-SMYYYNMVSA-N 1 0 298.346 3.057 20 5 CGBDRO C[C@H]([NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C1(C)CC1 ZINC000876975868 634942498 /nfs/dbraw/zinc/94/24/98/634942498.db2.gz FOMRHQOQSNWETM-VIFPVBQESA-N 1 0 275.308 3.014 20 5 CGBDRO CCn1cc[nH+]c1NCc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000840887730 635075830 /nfs/dbraw/zinc/07/58/30/635075830.db2.gz NTNXQYXRSSHHKC-UHFFFAOYSA-N 1 0 280.715 3.077 20 5 CGBDRO C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000878208002 635414313 /nfs/dbraw/zinc/41/43/13/635414313.db2.gz OZFUBCCOWANEOH-QWRGUYRKSA-N 1 0 298.770 3.105 20 5 CGBDRO CC[C@H]([NH2+]Cc1ccc(F)cc1[N+](=O)[O-])[C@H]1CCCOC1 ZINC000880469147 636006492 /nfs/dbraw/zinc/00/64/92/636006492.db2.gz FVBCBRUIFWBBSR-JSGCOSHPSA-N 1 0 296.342 3.029 20 5 CGBDRO C[C@H]([NH2+]CC1(Br)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000846927358 636285378 /nfs/dbraw/zinc/28/53/78/636285378.db2.gz FDFBUVCURDNVOE-VIFPVBQESA-N 1 0 299.168 3.173 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OCCC1CC[NH2+]CC1 ZINC000134494589 637025155 /nfs/dbraw/zinc/02/51/55/637025155.db2.gz MONWWKJEIAMFCZ-UHFFFAOYSA-N 1 0 284.743 3.017 20 5 CGBDRO COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC1CCC1 ZINC000850445155 637067328 /nfs/dbraw/zinc/06/73/28/637067328.db2.gz PBZLKFDGGNGQCR-NSHDSACASA-N 1 0 278.352 3.444 20 5 CGBDRO CC[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000135191200 637095809 /nfs/dbraw/zinc/09/58/09/637095809.db2.gz SYUBPJCEXWRDRL-SNVBAGLBSA-N 1 0 268.744 3.480 20 5 CGBDRO C[C@H]1[C@@H](c2ccccc2)CC[N@@H+]1Cc1cccnc1[N+](=O)[O-] ZINC000886038574 637379528 /nfs/dbraw/zinc/37/95/28/637379528.db2.gz YUZPGUWHYGKISJ-BBRMVZONSA-N 1 0 297.358 3.368 20 5 CGBDRO Cc1coc(CN[C@H](C)c2ccccc2[N+](=O)[O-])c1 ZINC000886057791 637392595 /nfs/dbraw/zinc/39/25/95/637392595.db2.gz XNPJCGRLCQCPOY-LLVKDONJSA-N 1 0 260.293 3.347 20 5 CGBDRO CCC(CC)C[N@H+](CC)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000136934713 637411320 /nfs/dbraw/zinc/41/13/20/637411320.db2.gz YFDDWDXFJRSADJ-MRXNPFEDSA-N 1 0 294.395 3.386 20 5 CGBDRO C[C@@H]1C[N@H+](Cc2cccnc2[N+](=O)[O-])[C@H]2CCCC[C@@H]12 ZINC000886123266 637425071 /nfs/dbraw/zinc/42/50/71/637425071.db2.gz VOQILBSZPQSXSE-XBFCOCLRSA-N 1 0 275.352 3.000 20 5 CGBDRO Cc1ccccc1C(C)(C)[NH2+]Cc1cccnc1[N+](=O)[O-] ZINC000886218620 637463360 /nfs/dbraw/zinc/46/33/60/637463360.db2.gz ZHXWXIYXYWHAMQ-UHFFFAOYSA-N 1 0 285.347 3.323 20 5 CGBDRO Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568262 637584530 /nfs/dbraw/zinc/58/45/30/637584530.db2.gz DZFGSCBONWWISA-UPJWGTAASA-N 1 0 292.404 3.259 20 5 CGBDRO CCC(C)(C)[C@@H](C)[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000852355749 637641839 /nfs/dbraw/zinc/64/18/39/637641839.db2.gz ZRLDIZNWIWAXOO-BXUZGUMPSA-N 1 0 280.368 3.043 20 5 CGBDRO C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886834612 637712146 /nfs/dbraw/zinc/71/21/46/637712146.db2.gz AYCLVFYJPIILCT-INWMFGNUSA-N 1 0 290.363 3.157 20 5 CGBDRO C[C@H]([NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000858443578 638720647 /nfs/dbraw/zinc/72/06/47/638720647.db2.gz LPUJDYPUIGRKLE-UNJBNNCHSA-N 1 0 289.379 3.264 20 5 CGBDRO COC[C@@H](C[NH2+][C@@H](C)c1c(F)cccc1[N+](=O)[O-])C(C)C ZINC000927096052 638841266 /nfs/dbraw/zinc/84/12/66/638841266.db2.gz SSNVERLGMKXYFQ-NWDGAFQWSA-N 1 0 298.358 3.303 20 5 CGBDRO C[C@H]1CSCCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000934301101 639576204 /nfs/dbraw/zinc/57/62/04/639576204.db2.gz SUAFXQSDVNOMEV-JTQLQIEISA-N 1 0 284.356 3.061 20 5 CGBDRO C[C@@H]([NH2+][C@H]1CCOC12CCCC2)c1ccccc1[N+](=O)[O-] ZINC000934396949 639601950 /nfs/dbraw/zinc/60/19/50/639601950.db2.gz SHDWTYZKEZVHBC-DOMZBBRYSA-N 1 0 290.363 3.347 20 5 CGBDRO Cc1cccc(OCC[NH2+]Cc2ccccc2[N+](=O)[O-])c1 ZINC000048436988 640052297 /nfs/dbraw/zinc/05/22/97/640052297.db2.gz JPLAWWXRNMQTME-UHFFFAOYSA-N 1 0 286.331 3.072 20 5 CGBDRO CC1(C)CCC[C@@H]1[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773910 640802118 /nfs/dbraw/zinc/80/21/18/640802118.db2.gz ANNXXHIIJDXVSG-ZDUSSCGKSA-N 1 0 266.316 3.402 20 5 CGBDRO CC[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000094774322 640802351 /nfs/dbraw/zinc/80/23/51/640802351.db2.gz BDBSEWYQLXOHMR-NSHDSACASA-N 1 0 266.316 3.356 20 5 CGBDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc([N+](=O)[O-])c(F)c1 ZINC000094773456 640802887 /nfs/dbraw/zinc/80/28/87/640802887.db2.gz VKKYGIBTSUQHPQ-ZJUUUORDSA-N 1 0 254.305 3.258 20 5 CGBDRO C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C[C@H]1C ZINC000253069735 640870110 /nfs/dbraw/zinc/87/01/10/640870110.db2.gz LVZUVPVLASAYGZ-WDEREUQCSA-N 1 0 266.316 3.212 20 5 CGBDRO O=[N+]([O-])c1ccc(Nc2ccc([C@@H]3CC[NH2+]C3)cc2)cc1 ZINC001159776181 806170890 /nfs/dbraw/zinc/17/08/90/806170890.db2.gz SSUVBNPTVXBNIK-CYBMUJFWSA-N 1 0 283.331 3.415 20 5 CGBDRO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540158 806446280 /nfs/dbraw/zinc/44/62/80/806446280.db2.gz PFUFGLSWSHLUKZ-VXGBXAGGSA-N 1 0 250.342 3.304 20 5 CGBDRO CCC1([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CCC1 ZINC001254545878 806446284 /nfs/dbraw/zinc/44/62/84/806446284.db2.gz QGTMGTSDTFNHBD-GFCCVEGCSA-N 1 0 262.353 3.448 20 5 CGBDRO C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C)C[C@H]1CF ZINC001254551677 806447707 /nfs/dbraw/zinc/44/77/07/806447707.db2.gz CXAMTYIQMXESND-OBJOEFQTSA-N 1 0 280.343 3.206 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC2(C1)CCCC2 ZINC001254553748 806449404 /nfs/dbraw/zinc/44/94/04/806449404.db2.gz YJGATABHYFIAIZ-CYBMUJFWSA-N 1 0 274.364 3.402 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCC[C@](C)(F)C1 ZINC001254553776 806449651 /nfs/dbraw/zinc/44/96/51/806449651.db2.gz YXXCTCVPKRZBLI-DOMZBBRYSA-N 1 0 280.343 3.350 20 5 CGBDRO CC[C@H]1CCC[N@@H+]1[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254562420 806451678 /nfs/dbraw/zinc/45/16/78/806451678.db2.gz MFHTYBQNZZPVPW-OCCSQVGLSA-N 1 0 262.353 3.400 20 5 CGBDRO C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1CC(c2cccnc2)C1 ZINC001254560059 806451770 /nfs/dbraw/zinc/45/17/70/806451770.db2.gz OWXSJCKFPFXZOQ-CYBMUJFWSA-N 1 0 297.358 3.020 20 5 CGBDRO C[C@@H]([NH2+][C@@H]1Cc2ccc([N+](=O)[O-])cc2C1)c1cccs1 ZINC001254567477 806452728 /nfs/dbraw/zinc/45/27/28/806452728.db2.gz ONNHYBZJYSQFLL-ZWNOBZJWSA-N 1 0 288.372 3.474 20 5 CGBDRO CC(C)[NH+](C(C)C)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600280 806458432 /nfs/dbraw/zinc/45/84/32/806458432.db2.gz SHBLWICASAYKDK-OAHLLOKOSA-N 1 0 262.353 3.181 20 5 CGBDRO [NH3+]Cc1cn(-c2nc3ccccc3c3ccccc32)cn1 ZINC001162304546 806551408 /nfs/dbraw/zinc/55/14/08/806551408.db2.gz LMSYKINIOZANGE-UHFFFAOYSA-N 1 0 274.327 3.032 20 5 CGBDRO Cc1cc(C)c([N+](=O)[O-])c(C)c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162396002 806574876 /nfs/dbraw/zinc/57/48/76/806574876.db2.gz HORIQSROQDTIGW-OLZOCXBDSA-N 1 0 277.368 3.202 20 5 CGBDRO [NH3+][C@H]1CCC[C@H](Nc2ccc([N+](=O)[O-])c3ccccc23)C1 ZINC001162404501 806578952 /nfs/dbraw/zinc/57/89/52/806578952.db2.gz NMSINEWBOONHCD-RYUDHWBXSA-N 1 0 285.347 3.430 20 5 CGBDRO C[C@@H]1C[C@@H](CNc2ccc(C(C)(C)C)cc2[N+](=O)[O-])C[NH2+]1 ZINC001162556802 806618607 /nfs/dbraw/zinc/61/86/07/806618607.db2.gz WFKRRHWRHMZVSJ-VXGBXAGGSA-N 1 0 291.395 3.302 20 5 CGBDRO Cc1c(C[NH2+][C@@H]2CC[C@H]3C[C@H]3C2)cccc1[N+](=O)[O-] ZINC000403449614 799566568 /nfs/dbraw/zinc/56/65/68/799566568.db2.gz FQVQSUGRMIYGGW-FPMFFAJLSA-N 1 0 260.337 3.181 20 5 CGBDRO O=[N+]([O-])c1ccccc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000403582770 799569082 /nfs/dbraw/zinc/56/90/82/799569082.db2.gz LEFSPTHSHVUYKM-AGUYFDCRSA-N 1 0 292.404 3.154 20 5 CGBDRO C[C@H]1CCC[C@@H](C[NH2+]Cc2cc(Cl)ccc2[N+](=O)[O-])O1 ZINC000688903203 799758473 /nfs/dbraw/zinc/75/84/73/799758473.db2.gz VPTQGYKEIWDYAQ-GWCFXTLKSA-N 1 0 298.770 3.295 20 5 CGBDRO O=[N+]([O-])c1ccc(Cl)cc1OC[C@@H]1CCCC[NH2+]C1 ZINC000697089359 799842554 /nfs/dbraw/zinc/84/25/54/799842554.db2.gz XAQWYUFYUVAUCI-SNVBAGLBSA-N 1 0 284.743 3.017 20 5 CGBDRO C[C@@H](CCNc1ccc([N+](=O)[O-])cc1C(F)F)[NH+](C)C ZINC000697907382 799850400 /nfs/dbraw/zinc/85/04/00/799850400.db2.gz NKCDSPLSIPHSRG-VIFPVBQESA-N 1 0 287.310 3.285 20 5 CGBDRO C[C@H](F)CC[NH2+]Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000702547481 799910621 /nfs/dbraw/zinc/91/06/21/799910621.db2.gz POULDDCZGCQKHE-QMMMGPOBSA-N 1 0 260.696 3.086 20 5 CGBDRO Cc1ccc([C@@H](C)[NH2+]CCc2ccns2)cc1[N+](=O)[O-] ZINC000709967924 800024926 /nfs/dbraw/zinc/02/49/26/800024926.db2.gz SAEUWLCTKBXLIK-LLVKDONJSA-N 1 0 291.376 3.253 20 5 CGBDRO O=[N+]([O-])c1ccc(CC[NH2+]CC[C@@H]2CCCS2)cc1 ZINC000715784992 800146835 /nfs/dbraw/zinc/14/68/35/800146835.db2.gz YYVZNQIUKXROMV-AWEZNQCLSA-N 1 0 280.393 3.013 20 5 CGBDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000716672324 800179285 /nfs/dbraw/zinc/17/92/85/800179285.db2.gz RMYDAWRVBOLANY-XTBFLFJDSA-N 1 0 274.364 3.019 20 5 CGBDRO Cc1ccc(C[NH2+]C2(C)CC(F)(F)C2)cc1[N+](=O)[O-] ZINC000720985102 800275468 /nfs/dbraw/zinc/27/54/68/800275468.db2.gz HJJMPJSVPWJYKE-UHFFFAOYSA-N 1 0 270.279 3.181 20 5 CGBDRO Cc1c(C)n(-c2ccc([N+](=O)[O-])cn2)c2ccc(C[NH3+])cc12 ZINC001163755688 806818762 /nfs/dbraw/zinc/81/87/62/806818762.db2.gz JNZDKEMBBYZBKY-UHFFFAOYSA-N 1 0 296.330 3.009 20 5 CGBDRO CCc1cc(C[NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)[nH]n1 ZINC000765994731 800383591 /nfs/dbraw/zinc/38/35/91/800383591.db2.gz RNKNPCDTPZPYGP-NSHDSACASA-N 1 0 288.351 3.040 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCCCSC ZINC001163874359 806843419 /nfs/dbraw/zinc/84/34/19/806843419.db2.gz AEZMGSFSOGODMX-UHFFFAOYSA-N 1 0 267.462 3.448 20 5 CGBDRO C[N@@H+]1CC[C@H](Nc2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1 ZINC001167280902 807175189 /nfs/dbraw/zinc/17/51/89/807175189.db2.gz HOUPQGKGGOICOF-INIZCTEOSA-N 1 0 297.358 3.378 20 5 CGBDRO C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc(F)cc(F)c1[N+](=O)[O-] ZINC001168601902 807454360 /nfs/dbraw/zinc/45/43/60/807454360.db2.gz UXZAXMCPBVVWOJ-AAEUAGOBSA-N 1 0 299.321 3.158 20 5 CGBDRO Cc1cc([N+](=O)[O-])cc(NCC(C)(C)C[NH+](C)C)c1F ZINC001168769689 807509101 /nfs/dbraw/zinc/50/91/01/807509101.db2.gz WOOUVXXPZVSAPB-UHFFFAOYSA-N 1 0 283.347 3.042 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2cc(F)cc(Cl)c2)C1 ZINC001168959684 807541841 /nfs/dbraw/zinc/54/18/41/807541841.db2.gz YDEWNRGGJLQCDJ-ZANVPECISA-N 1 0 286.734 3.014 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(Cl)c2F)C1 ZINC001168967449 807543534 /nfs/dbraw/zinc/54/35/34/807543534.db2.gz PQTKZQQDXKBBNL-MWLCHTKSSA-N 1 0 286.734 3.014 20 5 CGBDRO CC(C)(Cc1ccc(F)cc1)[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168968180 807543598 /nfs/dbraw/zinc/54/35/98/807543598.db2.gz XGMKVHQZYXCOAS-ZFWWWQNUSA-N 1 0 294.370 3.182 20 5 CGBDRO Cc1ccc(Cl)cc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168968235 807543697 /nfs/dbraw/zinc/54/36/97/807543697.db2.gz XTCDJLIOSPWGDU-RISCZKNCSA-N 1 0 282.771 3.183 20 5 CGBDRO CCCc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168977176 807544973 /nfs/dbraw/zinc/54/49/73/807544973.db2.gz IWBLIXFUDSUUCT-HOTGVXAUSA-N 1 0 276.380 3.174 20 5 CGBDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC(C)(C)C1 ZINC001168978416 807546122 /nfs/dbraw/zinc/54/61/22/807546122.db2.gz RXKAJUUXGWDEES-SYQHCUMBSA-N 1 0 268.401 3.236 20 5 CGBDRO CC[C@@H]([NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)c1cccc(C)c1 ZINC001168978333 807546153 /nfs/dbraw/zinc/54/61/53/807546153.db2.gz RFFVDCKDMMKSLG-CWRNSKLLSA-N 1 0 276.380 3.481 20 5 CGBDRO CC(C)CCC[C@H](C)[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168978817 807546186 /nfs/dbraw/zinc/54/61/86/807546186.db2.gz UMUQRMHDMRTDTK-MELADBBJSA-N 1 0 256.390 3.236 20 5 CGBDRO Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)c1 ZINC001168985841 807546789 /nfs/dbraw/zinc/54/67/89/807546789.db2.gz VEBIFARZKFUYSC-UMVBOHGHSA-N 1 0 262.353 3.091 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2csc3ccccc23)C1 ZINC001168984948 807546938 /nfs/dbraw/zinc/54/69/38/807546938.db2.gz BMLOCNYLXHQZLS-YPMHNXCESA-N 1 0 290.388 3.436 20 5 CGBDRO CC(C)([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1cccc(F)c1 ZINC001168983308 807547100 /nfs/dbraw/zinc/54/71/00/807547100.db2.gz JIRZWXWJZYLISW-BXUZGUMPSA-N 1 0 280.343 3.096 20 5 CGBDRO CC[C@@H]([NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1)c1ccc(OC)cc1 ZINC001168990513 807548304 /nfs/dbraw/zinc/54/83/04/807548304.db2.gz ZUKAHINJEHXIOY-XNRPHZJLSA-N 1 0 292.379 3.181 20 5 CGBDRO CC(C)(C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1)CC1CCC1 ZINC001168996513 807549267 /nfs/dbraw/zinc/54/92/67/807549267.db2.gz VMCCSUZJRSMMIP-KBPBESRZSA-N 1 0 268.401 3.238 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@H](c2cccc(F)c2)C2CC2)C1 ZINC001168999046 807549444 /nfs/dbraw/zinc/54/94/44/807549444.db2.gz RFPHGDTYZYJRKT-LYRGGWFBSA-N 1 0 292.354 3.312 20 5 CGBDRO Cc1cccc(Cl)c1C(=[NH2+])N[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006777 807549894 /nfs/dbraw/zinc/54/98/94/807549894.db2.gz YWUXKDGPDNOHFW-GHMZBOCLSA-N 1 0 295.770 3.009 20 5 CGBDRO CC(C)[N@H+](Cc1ccccc1)[C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001169006632 807549946 /nfs/dbraw/zinc/54/99/46/807549946.db2.gz IRORUWUFPFJPRY-HZPDHXFCSA-N 1 0 276.380 3.342 20 5 CGBDRO C[N@H+](Cc1cccc(Cl)c1)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169024368 807554856 /nfs/dbraw/zinc/55/48/56/807554856.db2.gz GUMXMFVERYLCAD-GXTWGEPZSA-N 1 0 282.771 3.217 20 5 CGBDRO CCc1ccc(C[N@H+](C)[C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001169035150 807556114 /nfs/dbraw/zinc/55/61/14/807556114.db2.gz AQKGONSJGDPHFB-HOTGVXAUSA-N 1 0 276.380 3.126 20 5 CGBDRO O=[N+]([O-])C[C@H]1CC[C@H]([N@H+](Cc2ccccc2)C2CC2)C1 ZINC001169035853 807556172 /nfs/dbraw/zinc/55/61/72/807556172.db2.gz DIXKBVLSHHDXGY-HOCLYGCPSA-N 1 0 274.364 3.096 20 5 CGBDRO O=[N+]([O-])C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CC(F)C3)CC2)C1 ZINC001169039930 807556901 /nfs/dbraw/zinc/55/69/01/807556901.db2.gz VYHKMYKJFFAKGX-FEWQNLEASA-N 1 0 284.375 3.036 20 5 CGBDRO CC[N@H+](Cc1ccccc1F)[C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001169038974 807557548 /nfs/dbraw/zinc/55/75/48/807557548.db2.gz LZSPKMHZQDZTGI-GXTWGEPZSA-N 1 0 280.343 3.093 20 5 CGBDRO CC[N+](C)(C)Cc1ccccc1NCCc1cncs1 ZINC001169866543 807718084 /nfs/dbraw/zinc/71/80/84/807718084.db2.gz AIDGBBWGEBQAOM-UHFFFAOYSA-N 1 0 290.456 3.394 20 5 CGBDRO CC[C@@H](C)[N@H+](C)[C@H](C)Cc1ccc(OC)cc1[N+](=O)[O-] ZINC001170334767 807826205 /nfs/dbraw/zinc/82/62/05/807826205.db2.gz IFCCQOFJNFSNEI-VXGBXAGGSA-N 1 0 280.368 3.265 20 5 CGBDRO C[N@H+](CCCC(F)(F)F)CCc1cccc([N+](=O)[O-])c1 ZINC001262366554 807857699 /nfs/dbraw/zinc/85/76/99/807857699.db2.gz LSNHHMJPZICAMP-UHFFFAOYSA-N 1 0 290.285 3.412 20 5 CGBDRO O=[N+]([O-])c1ccc(OCCC[N@@H+]2C[C@H]3CCCC[C@H]32)cc1 ZINC001171756744 808131455 /nfs/dbraw/zinc/13/14/55/808131455.db2.gz RMXRCSXPUGHZOI-CZUORRHYSA-N 1 0 290.363 3.238 20 5 CGBDRO O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]Cc1ccncc1)CC2 ZINC001172897881 808474986 /nfs/dbraw/zinc/47/49/86/808474986.db2.gz FMHXBKNXLYAHBX-INIZCTEOSA-N 1 0 297.358 3.027 20 5 CGBDRO CC1(C)C[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172912355 808477152 /nfs/dbraw/zinc/47/71/52/808477152.db2.gz NKBIVMCFEAULTN-UKRRQHHQSA-N 1 0 274.364 3.230 20 5 CGBDRO COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CC2(C)CC2)c1F ZINC001173174878 808531997 /nfs/dbraw/zinc/53/19/97/808531997.db2.gz FDRLLKGUEAYRNH-SNVBAGLBSA-N 1 0 296.342 3.063 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H](F)C1 ZINC001173209288 808537975 /nfs/dbraw/zinc/53/79/75/808537975.db2.gz BASDZXWCPJMJIB-MRVWCRGKSA-N 1 0 280.343 3.396 20 5 CGBDRO CC(C)[C@H](C)[NH2+][C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173216652 808539103 /nfs/dbraw/zinc/53/91/03/808539103.db2.gz MNGWSFBHRXPVKT-RYUDHWBXSA-N 1 0 250.342 3.160 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1CC2(CCC2)C1 ZINC001173221747 808540524 /nfs/dbraw/zinc/54/05/24/808540524.db2.gz LPGHWUTTWCCXPD-GFCCVEGCSA-N 1 0 260.337 3.012 20 5 CGBDRO C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH2+]CCCOC(C)(C)C ZINC001173224767 808541528 /nfs/dbraw/zinc/54/15/28/808541528.db2.gz OTUMJKAEIAHONP-ZDUSSCGKSA-N 1 0 294.395 3.321 20 5 CGBDRO CO[C@@H]1CCC[N@@H+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173232463 808542560 /nfs/dbraw/zinc/54/25/60/808542560.db2.gz GVBHFNVABYTPIB-CZUORRHYSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC001173232295 808542676 /nfs/dbraw/zinc/54/26/76/808542676.db2.gz DRCWQJHKGGBPAH-OSAQELSMSA-N 1 0 260.337 3.010 20 5 CGBDRO CC(C)O[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)C1 ZINC001173234814 808544198 /nfs/dbraw/zinc/54/41/98/808544198.db2.gz UFHCMCATYQQXLA-BBRMVZONSA-N 1 0 292.379 3.025 20 5 CGBDRO CSc1ccc(CNCc2ccc([N+](=O)[O-])cc2)o1 ZINC001177416191 809797420 /nfs/dbraw/zinc/79/74/20/809797420.db2.gz LEAIAVHOWMJTPS-UHFFFAOYSA-N 1 0 278.333 3.200 20 5 CGBDRO CC1(C)CC[C@@H](CC[NH2+]Cc2cccc([N+](=O)[O-])c2)OC1 ZINC001179685238 809937382 /nfs/dbraw/zinc/93/73/82/809937382.db2.gz HWXCKIANXZPSBZ-HNNXBMFYSA-N 1 0 292.379 3.280 20 5 CGBDRO Cc1cc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c([N+](=O)[O-])s1 ZINC001186871937 810367475 /nfs/dbraw/zinc/36/74/75/810367475.db2.gz DYCVVUAUFGYWNQ-AAEUAGOBSA-N 1 0 295.408 3.394 20 5 CGBDRO CCC(C)(C)[NH+]1CCN(c2cc(C)ccc2[N+](=O)[O-])CC1 ZINC001186872021 810367578 /nfs/dbraw/zinc/36/75/78/810367578.db2.gz JGWJBCVYLLLTEG-UHFFFAOYSA-N 1 0 291.395 3.214 20 5 CGBDRO O=[N+]([O-])c1cc(F)ccc1N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001186873348 810368329 /nfs/dbraw/zinc/36/83/29/810368329.db2.gz WILKGKMOEKLHBY-TZMCWYRMSA-N 1 0 293.342 3.163 20 5 CGBDRO CCOc1cc(C[NH2+][C@H](C)C2(C)CC2)ccc1[N+](=O)[O-] ZINC001198407658 811499328 /nfs/dbraw/zinc/49/93/28/811499328.db2.gz YGQIHMSCLHTDDF-LLVKDONJSA-N 1 0 278.352 3.272 20 5 CGBDRO C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]Cc1cc(C)ccn1 ZINC001203517010 812378795 /nfs/dbraw/zinc/37/87/95/812378795.db2.gz HXGJZYJYYQYLSH-ZSOIEALJSA-N 1 0 297.358 3.491 20 5 CGBDRO Cc1ccncc1C[NH2+]Cc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001205917762 813134010 /nfs/dbraw/zinc/13/40/10/813134010.db2.gz OWMDUWDHURDVPX-UHFFFAOYSA-N 1 0 291.738 3.241 20 5 CGBDRO Cn1c[nH+]cc1Nc1cccc2nc3ccccc3nc21 ZINC001211251480 814861685 /nfs/dbraw/zinc/86/16/85/814861685.db2.gz HBJKBCIQWIVHMT-UHFFFAOYSA-N 1 0 275.315 3.260 20 5 CGBDRO O=[N+]([O-])c1cc(F)cc(Nc2ccnn2-c2cc[nH+]cc2)c1 ZINC001216481795 815836959 /nfs/dbraw/zinc/83/69/59/815836959.db2.gz DMVUTPKXNZKHGF-UHFFFAOYSA-N 1 0 299.265 3.058 20 5 CGBDRO Cc1ccc(CO[C@H]2C[NH2+]Cc3ccccc32)cc1[N+](=O)[O-] ZINC001217941415 816007449 /nfs/dbraw/zinc/00/74/49/816007449.db2.gz QKLWXLJMKIKTSI-KRWDZBQOSA-N 1 0 298.342 3.264 20 5 CGBDRO F[C@H]1C[NH2+]C[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218017481 816056440 /nfs/dbraw/zinc/05/64/40/816056440.db2.gz TTXVMCTXILQJSB-HOTGVXAUSA-N 1 0 282.318 3.077 20 5 CGBDRO C[C@@H]1C[NH2+]C[C@H]1Oc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1 ZINC001218033195 816066231 /nfs/dbraw/zinc/06/62/31/816066231.db2.gz BHGKDFLBVSCMBW-SJKOYZFVSA-N 1 0 298.342 3.249 20 5 CGBDRO Cc1cc(O[C@@H]2CCC23CC[NH2+]CC3)cc([N+](=O)[O-])c1C ZINC001218085396 816090015 /nfs/dbraw/zinc/09/00/15/816090015.db2.gz RGGMMRGCIYDCTN-OAHLLOKOSA-N 1 0 290.363 3.123 20 5 CGBDRO Cc1cc(C)c(O[C@@H]2CCC[C@@]23CC[NH2+]C3)c([N+](=O)[O-])c1 ZINC001218091820 816092823 /nfs/dbraw/zinc/09/28/23/816092823.db2.gz GRHWMVVDFDPDEE-ZBFHGGJFSA-N 1 0 290.363 3.123 20 5 CGBDRO O=[N+]([O-])c1cccc(Cl)c1O[C@@H]1CCC[C@@]12CC[NH2+]C2 ZINC001218096610 816096992 /nfs/dbraw/zinc/09/69/92/816096992.db2.gz UJKBRSNPXZTHEB-OCCSQVGLSA-N 1 0 296.754 3.159 20 5 CGBDRO F[C@@H]1CC[NH2+]C[C@@H]1Oc1nccc2c3ccccc3ccc21 ZINC001218322700 816167264 /nfs/dbraw/zinc/16/72/64/816167264.db2.gz TUNJUYDUEFYHRS-SJORKVTESA-N 1 0 296.345 3.467 20 5 CGBDRO C[C@@H]1[NH2+]C[C@@H]1Oc1cccc(-c2cccc([N+](=O)[O-])c2)c1 ZINC001218385615 816185586 /nfs/dbraw/zinc/18/55/86/816185586.db2.gz IINHYDOJKFUBJC-ZBEGNZNMSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@H]1[NH2+]C[C@@H]1Oc1ccc(-c2ccccc2)cc1[N+](=O)[O-] ZINC001218386712 816186420 /nfs/dbraw/zinc/18/64/20/816186420.db2.gz WDGRBFSQJDDHQW-BZNIZROVSA-N 1 0 284.315 3.001 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@@H]1Oc1cccc2nc3ccccc3nc21 ZINC001218411796 816201500 /nfs/dbraw/zinc/20/15/00/816201500.db2.gz BEQZHECQXRLMBS-WBMJQRKESA-N 1 0 293.370 3.160 20 5 CGBDRO C[C@@H]1C[NH2+]CC[C@H]1Oc1ccc(C(C)(C)C)cc1[N+](=O)[O-] ZINC001218421067 816207020 /nfs/dbraw/zinc/20/70/20/816207020.db2.gz VPNSIIKZTYBYAF-BXUZGUMPSA-N 1 0 292.379 3.269 20 5 CGBDRO Cc1oc(-c2cccs2)nc1CO[C@H](C)C[N+](C)(C)C ZINC001224226900 816756484 /nfs/dbraw/zinc/75/64/84/816756484.db2.gz BLBWSRWTRJATCB-LLVKDONJSA-N 1 0 295.428 3.323 20 5 CGBDRO C[NH+](C)C1CCC(OCCc2ccc([N+](=O)[O-])cc2)CC1 ZINC001224330283 816778688 /nfs/dbraw/zinc/77/86/88/816778688.db2.gz FEEKIBMOPCJQAT-UHFFFAOYSA-N 1 0 292.379 3.027 20 5 CGBDRO C[C@H](OCCC[N+](C)(C)C)c1ccc(F)c(F)c1 ZINC001224623334 816834981 /nfs/dbraw/zinc/83/49/81/816834981.db2.gz MQSBODXISDVEID-NSHDSACASA-N 1 0 258.332 3.139 20 5 CGBDRO C[N+](C)(C)CCO[C@@H](C(=O)c1ccccc1)c1ccccc1 ZINC001224771538 816877995 /nfs/dbraw/zinc/87/79/95/816877995.db2.gz NVANNNYGQKZTOI-LJQANCHMSA-N 1 0 298.406 3.333 20 5 CGBDRO C[N+](C)(C)CCO[C@@H]1CCc2ccc(Br)cc21 ZINC001224776037 816879930 /nfs/dbraw/zinc/87/99/30/816879930.db2.gz RMAXVVLIOABRHP-CQSZACIVSA-N 1 0 299.232 3.159 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccccc1C(F)(F)F ZINC001225219439 816965714 /nfs/dbraw/zinc/96/57/14/816965714.db2.gz RUUROMSMFCGLRS-SNVBAGLBSA-N 1 0 262.295 3.179 20 5 CGBDRO Cc1cccc(O[C@H]2CC[C@H]([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC001225636545 817122366 /nfs/dbraw/zinc/12/23/66/817122366.db2.gz XYMCYMIOQPFXBE-JOCQHMNTSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@@H](C[NH+](C)C)Oc1ccc2c(c1)oc(=O)c1ccccc21 ZINC001226515284 817383042 /nfs/dbraw/zinc/38/30/42/817383042.db2.gz QIBCLYNYHYXEQZ-LBPRGKRZSA-N 1 0 297.354 3.275 20 5 CGBDRO Cc1cc(O[C@H]2CC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC001226843899 817482339 /nfs/dbraw/zinc/48/23/39/817482339.db2.gz QSFUNCFVYWEYIT-JOCQHMNTSA-N 1 0 278.352 3.155 20 5 CGBDRO C[C@H](C[N+](C)(C)C)Oc1ccc2ccc(Cl)cc2n1 ZINC001226861532 817486789 /nfs/dbraw/zinc/48/67/89/817486789.db2.gz DMQNUIOAPWOSRV-LLVKDONJSA-N 1 0 279.791 3.362 20 5 CGBDRO Cc1ccc(O[C@H]2CCC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC001226953120 817516105 /nfs/dbraw/zinc/51/61/05/817516105.db2.gz SCJDPPJQYLTPFA-AWEZNQCLSA-N 1 0 278.352 3.155 20 5 CGBDRO CCCCOc1cccc(O[C@H](C)C[N+](C)(C)C)c1 ZINC001227945401 817761776 /nfs/dbraw/zinc/76/17/76/817761776.db2.gz LDPZPIPJNXCRSZ-CQSZACIVSA-N 1 0 266.405 3.339 20 5 CGBDRO C[N@@H+]1CCC[C@H](Oc2c(Cl)cccc2[N+](=O)[O-])CC1 ZINC001228002933 817780755 /nfs/dbraw/zinc/78/07/55/817780755.db2.gz SYBQATRSDLICET-JTQLQIEISA-N 1 0 284.743 3.111 20 5 CGBDRO CCc1ccc(O[C@H](C)C[N+](C)(C)C)c(-c2cc[nH]n2)c1 ZINC001228684235 817971895 /nfs/dbraw/zinc/97/18/95/817971895.db2.gz IBTAEKLCANSROK-CYBMUJFWSA-N 1 0 288.415 3.113 20 5 CGBDRO CC[NH+](CC)C[C@H](C)Oc1ccc([N+](=O)[O-])c(Cl)c1 ZINC001228755045 817999892 /nfs/dbraw/zinc/99/98/92/817999892.db2.gz GAEUMYALSZGJLZ-JTQLQIEISA-N 1 0 286.759 3.357 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236285050 819412586 /nfs/dbraw/zinc/41/25/86/819412586.db2.gz CLIWUUIPTYGUJL-OXJNMPFZSA-N 1 0 288.394 3.397 20 5 CGBDRO c1ccc2c(c1)cc1ccccc1c2CN1C[C@H]2C[NH2+][C@H]2C1 ZINC001236281493 819412748 /nfs/dbraw/zinc/41/27/48/819412748.db2.gz HHQHHIUWIKBKFQ-UZLBHIALSA-N 1 0 288.394 3.397 20 5 CGBDRO