smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426214 398424241 /nfs/dbraw/zinc/42/42/41/398424241.db2.gz NBHMKONTVDEXNJ-CVEARBPZSA-N 2 2 303.406 2.867 20 5 DFBDLP Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426214 398424242 /nfs/dbraw/zinc/42/42/42/398424242.db2.gz NBHMKONTVDEXNJ-CVEARBPZSA-N 2 2 303.406 2.867 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478623 398431829 /nfs/dbraw/zinc/43/18/29/398431829.db2.gz GGHHLGXQVGDLMY-WFASDCNBSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478623 398431830 /nfs/dbraw/zinc/43/18/30/398431830.db2.gz GGHHLGXQVGDLMY-WFASDCNBSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000586763267 398454056 /nfs/dbraw/zinc/45/40/56/398454056.db2.gz NEJNQLOGLXPCTO-LLVKDONJSA-N 2 2 322.315 2.907 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000586763267 398454057 /nfs/dbraw/zinc/45/40/57/398454057.db2.gz NEJNQLOGLXPCTO-LLVKDONJSA-N 2 2 322.315 2.907 20 5 DFBDLP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206499 398538654 /nfs/dbraw/zinc/53/86/54/398538654.db2.gz OVHDIQGNISMXBA-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206499 398538658 /nfs/dbraw/zinc/53/86/58/398538658.db2.gz OVHDIQGNISMXBA-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206499 398538660 /nfs/dbraw/zinc/53/86/60/398538660.db2.gz OVHDIQGNISMXBA-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206499 398538662 /nfs/dbraw/zinc/53/86/62/398538662.db2.gz OVHDIQGNISMXBA-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591579970 398773980 /nfs/dbraw/zinc/77/39/80/398773980.db2.gz BRDRJOKVNWACPR-ZIBATOQPSA-N 2 2 307.369 2.607 20 5 DFBDLP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000276926527 213181108 /nfs/dbraw/zinc/18/11/08/213181108.db2.gz QAKNIFLWPGXDBE-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000276926527 213181110 /nfs/dbraw/zinc/18/11/10/213181110.db2.gz QAKNIFLWPGXDBE-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926527 213181112 /nfs/dbraw/zinc/18/11/12/213181112.db2.gz QAKNIFLWPGXDBE-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926527 213181113 /nfs/dbraw/zinc/18/11/13/213181113.db2.gz QAKNIFLWPGXDBE-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP Cc1c(C[NH+]2CCC([NH+]3CCCC3)CC2)cccc1[N+](=O)[O-] ZINC000051953318 398828042 /nfs/dbraw/zinc/82/80/42/398828042.db2.gz NAGXRZWSNUNHII-UHFFFAOYSA-N 2 2 303.406 2.963 20 5 DFBDLP C[NH+](C)[C@H]1C[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000594590834 398825557 /nfs/dbraw/zinc/82/55/57/398825557.db2.gz DJFSSKGLDXQYGY-VDISTLRHSA-N 2 2 300.362 2.895 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000594738059 398852404 /nfs/dbraw/zinc/85/24/04/398852404.db2.gz CRPQWIXFAGOGAF-QZTJIDSGSA-N 2 2 311.385 2.830 20 5 DFBDLP C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCn1cc[nH+]c1 ZINC000181112602 199253725 /nfs/dbraw/zinc/25/37/25/199253725.db2.gz JROBNKZEHPIZIV-UHFFFAOYSA-N 2 2 318.377 2.582 20 5 DFBDLP C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)CCCn1cc[nH+]c1 ZINC000181112602 199253727 /nfs/dbraw/zinc/25/37/27/199253727.db2.gz JROBNKZEHPIZIV-UHFFFAOYSA-N 2 2 318.377 2.582 20 5 DFBDLP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008197 398891094 /nfs/dbraw/zinc/89/10/94/398891094.db2.gz BUTWJPOBSRHMLF-QWHCGFSZSA-N 2 2 307.394 2.596 20 5 DFBDLP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008197 398891095 /nfs/dbraw/zinc/89/10/95/398891095.db2.gz BUTWJPOBSRHMLF-QWHCGFSZSA-N 2 2 307.394 2.596 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000595015976 398892537 /nfs/dbraw/zinc/89/25/37/398892537.db2.gz FRXKYJPOWWSUBW-CHWSQXEVSA-N 2 2 307.394 2.596 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000595015976 398892540 /nfs/dbraw/zinc/89/25/40/398892540.db2.gz FRXKYJPOWWSUBW-CHWSQXEVSA-N 2 2 307.394 2.596 20 5 DFBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096835 398904704 /nfs/dbraw/zinc/90/47/04/398904704.db2.gz MUWCASYUZAMJNT-HOCLYGCPSA-N 2 2 305.422 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096835 398904708 /nfs/dbraw/zinc/90/47/08/398904708.db2.gz MUWCASYUZAMJNT-HOCLYGCPSA-N 2 2 305.422 2.990 20 5 DFBDLP C[N@@H+]1CCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599044553 398912234 /nfs/dbraw/zinc/91/22/34/398912234.db2.gz ZQVIAQVOAVAJPK-LBPRGKRZSA-N 2 2 300.362 2.897 20 5 DFBDLP C[N@H+]1CCC[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599044553 398912237 /nfs/dbraw/zinc/91/22/37/398912237.db2.gz ZQVIAQVOAVAJPK-LBPRGKRZSA-N 2 2 300.362 2.897 20 5 DFBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333470 398923671 /nfs/dbraw/zinc/92/36/71/398923671.db2.gz UHVCFRWCZMTDPF-AWEZNQCLSA-N 2 2 321.396 2.898 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333470 398923673 /nfs/dbraw/zinc/92/36/73/398923673.db2.gz UHVCFRWCZMTDPF-AWEZNQCLSA-N 2 2 321.396 2.898 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333470 398923675 /nfs/dbraw/zinc/92/36/75/398923675.db2.gz UHVCFRWCZMTDPF-AWEZNQCLSA-N 2 2 321.396 2.898 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333470 398923677 /nfs/dbraw/zinc/92/36/77/398923677.db2.gz UHVCFRWCZMTDPF-AWEZNQCLSA-N 2 2 321.396 2.898 20 5 DFBDLP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000595481440 398947133 /nfs/dbraw/zinc/94/71/33/398947133.db2.gz FAKIMHUWWNOMEY-YIONKMFJSA-N 2 2 307.369 2.791 20 5 DFBDLP C[N@@H+](Cc1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000595481440 398947134 /nfs/dbraw/zinc/94/71/34/398947134.db2.gz FAKIMHUWWNOMEY-YIONKMFJSA-N 2 2 307.369 2.791 20 5 DFBDLP C[NH+](Cc1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595481440 398947136 /nfs/dbraw/zinc/94/71/36/398947136.db2.gz FAKIMHUWWNOMEY-YIONKMFJSA-N 2 2 307.369 2.791 20 5 DFBDLP C[NH+](Cc1ccc(F)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595481440 398947138 /nfs/dbraw/zinc/94/71/38/398947138.db2.gz FAKIMHUWWNOMEY-YIONKMFJSA-N 2 2 307.369 2.791 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397650 296185968 /nfs/dbraw/zinc/18/59/68/296185968.db2.gz MTEHHMBSFGCHAA-WFASDCNBSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420397650 296185970 /nfs/dbraw/zinc/18/59/70/296185970.db2.gz MTEHHMBSFGCHAA-WFASDCNBSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961796 399196382 /nfs/dbraw/zinc/19/63/82/399196382.db2.gz YGQXWLSITXXTBS-NSHDSACASA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080961796 399196385 /nfs/dbraw/zinc/19/63/85/399196385.db2.gz YGQXWLSITXXTBS-NSHDSACASA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157455 399307273 /nfs/dbraw/zinc/30/72/73/399307273.db2.gz RFPHOTUCNGFZRB-MRXNPFEDSA-N 2 2 300.362 2.671 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609157455 399307276 /nfs/dbraw/zinc/30/72/76/399307276.db2.gz RFPHOTUCNGFZRB-MRXNPFEDSA-N 2 2 300.362 2.671 20 5 DFBDLP CC[N@H+]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000615837144 399388017 /nfs/dbraw/zinc/38/80/17/399388017.db2.gz OJWOFVRVUFMSIG-AMPATBDRSA-N 2 2 303.406 2.928 20 5 DFBDLP CC[N@@H+]1C[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000615837144 399388020 /nfs/dbraw/zinc/38/80/20/399388020.db2.gz OJWOFVRVUFMSIG-AMPATBDRSA-N 2 2 303.406 2.928 20 5 DFBDLP C[NH+]1CCC([NH2+]Cc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 ZINC000602504036 399462592 /nfs/dbraw/zinc/46/25/92/399462592.db2.gz RCOJFFVDWCSLKZ-UHFFFAOYSA-N 2 2 317.311 2.797 20 5 DFBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000423082736 296376363 /nfs/dbraw/zinc/37/63/63/296376363.db2.gz FVSGLVKZEJSEON-TVQRCGJNSA-N 2 2 317.311 2.844 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156566132 197123634 /nfs/dbraw/zinc/12/36/34/197123634.db2.gz RANWCFNHQSRJHY-BBRMVZONSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156566132 197123636 /nfs/dbraw/zinc/12/36/36/197123636.db2.gz RANWCFNHQSRJHY-BBRMVZONSA-N 2 2 300.362 2.874 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000423361164 296408401 /nfs/dbraw/zinc/40/84/01/296408401.db2.gz MDHQDJZVDHPBRY-OBJOEFQTSA-N 2 2 307.394 2.642 20 5 DFBDLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339835 285499107 /nfs/dbraw/zinc/49/91/07/285499107.db2.gz RLSCJIZVQQPVQU-FMKPAKJESA-N 2 2 305.422 2.846 20 5 DFBDLP Cc1cn2c([nH+]1)[C@@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000372949540 150206666 /nfs/dbraw/zinc/20/66/66/150206666.db2.gz OXJRFYHFJQKPIZ-CQSZACIVSA-N 2 2 300.362 2.767 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076004352 426093213 /nfs/dbraw/zinc/09/32/13/426093213.db2.gz GFSFUXLSXDLNFG-OAHLLOKOSA-N 2 2 321.421 2.637 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076004352 426093215 /nfs/dbraw/zinc/09/32/15/426093215.db2.gz GFSFUXLSXDLNFG-OAHLLOKOSA-N 2 2 321.421 2.637 20 5 DFBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367459 426097697 /nfs/dbraw/zinc/09/76/97/426097697.db2.gz NGOKILNRHDJJRN-ZBFHGGJFSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367459 426097700 /nfs/dbraw/zinc/09/77/00/426097700.db2.gz NGOKILNRHDJJRN-ZBFHGGJFSA-N 2 2 321.421 2.665 20 5 DFBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408204 426099309 /nfs/dbraw/zinc/09/93/09/426099309.db2.gz OGDREKATFGBTOE-IRXDYDNUSA-N 2 2 321.421 2.746 20 5 DFBDLP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408204 426099311 /nfs/dbraw/zinc/09/93/11/426099311.db2.gz OGDREKATFGBTOE-IRXDYDNUSA-N 2 2 321.421 2.746 20 5 DFBDLP C[NH+](C)CCC[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000113312270 426112136 /nfs/dbraw/zinc/11/21/36/426112136.db2.gz BIWWTQCIVKXZQA-UHFFFAOYSA-N 2 2 320.418 2.760 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000123762779 426452539 /nfs/dbraw/zinc/45/25/39/426452539.db2.gz DBQNSURNRICBOH-AWEZNQCLSA-N 2 2 314.389 2.783 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000123762779 426452541 /nfs/dbraw/zinc/45/25/41/426452541.db2.gz DBQNSURNRICBOH-AWEZNQCLSA-N 2 2 314.389 2.783 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266939528 426800206 /nfs/dbraw/zinc/80/02/06/426800206.db2.gz QSGHQZNCMXNPNK-ZDUSSCGKSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266939528 426800209 /nfs/dbraw/zinc/80/02/09/426800209.db2.gz QSGHQZNCMXNPNK-ZDUSSCGKSA-N 2 2 316.361 2.576 20 5 DFBDLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249332047 427106836 /nfs/dbraw/zinc/10/68/36/427106836.db2.gz PHUUQMQOKAJQNQ-QLFBSQMISA-N 2 2 321.421 2.745 20 5 DFBDLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249332047 427106843 /nfs/dbraw/zinc/10/68/43/427106843.db2.gz PHUUQMQOKAJQNQ-QLFBSQMISA-N 2 2 321.421 2.745 20 5 DFBDLP [NH3+][C@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346094134 428018226 /nfs/dbraw/zinc/01/82/26/428018226.db2.gz NJNPHYWGNIUGBS-ZDUSSCGKSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+][C@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346094134 428018232 /nfs/dbraw/zinc/01/82/32/428018232.db2.gz NJNPHYWGNIUGBS-ZDUSSCGKSA-N 2 2 301.346 2.778 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000346488556 428191252 /nfs/dbraw/zinc/19/12/52/428191252.db2.gz NOHDLAQKBLWSTF-MRXNPFEDSA-N 2 2 313.357 2.952 20 5 DFBDLP Cc1c(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000346488556 428191256 /nfs/dbraw/zinc/19/12/56/428191256.db2.gz NOHDLAQKBLWSTF-MRXNPFEDSA-N 2 2 313.357 2.952 20 5 DFBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773250 428401436 /nfs/dbraw/zinc/40/14/36/428401436.db2.gz SIJQCOTZVUCVAH-NHYWBVRUSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773250 428401440 /nfs/dbraw/zinc/40/14/40/428401440.db2.gz SIJQCOTZVUCVAH-NHYWBVRUSA-N 2 2 301.346 2.776 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000415037103 428495344 /nfs/dbraw/zinc/49/53/44/428495344.db2.gz GCXLLVYCNVRDJL-LRDDRELGSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000415037103 428495348 /nfs/dbraw/zinc/49/53/48/428495348.db2.gz GCXLLVYCNVRDJL-LRDDRELGSA-N 2 2 307.369 2.698 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057267 274306721 /nfs/dbraw/zinc/30/67/21/274306721.db2.gz ZROCDTRDXYFLNM-LYRGGWFBSA-N 2 2 303.406 2.905 20 5 DFBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081781 428853104 /nfs/dbraw/zinc/85/31/04/428853104.db2.gz HQIUXANWJGYHCK-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081781 428853110 /nfs/dbraw/zinc/85/31/10/428853110.db2.gz HQIUXANWJGYHCK-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081781 428853113 /nfs/dbraw/zinc/85/31/13/428853113.db2.gz HQIUXANWJGYHCK-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081781 428853119 /nfs/dbraw/zinc/85/31/19/428853119.db2.gz HQIUXANWJGYHCK-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435624352 429155684 /nfs/dbraw/zinc/15/56/84/429155684.db2.gz JFVHHGVLDBSGIQ-HNNXBMFYSA-N 2 2 321.421 2.956 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435624352 429155690 /nfs/dbraw/zinc/15/56/90/429155690.db2.gz JFVHHGVLDBSGIQ-HNNXBMFYSA-N 2 2 321.421 2.956 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102955 275038062 /nfs/dbraw/zinc/03/80/62/275038062.db2.gz RAQBZRXJFOAUQX-DOMZBBRYSA-N 2 2 312.373 2.842 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102955 275038063 /nfs/dbraw/zinc/03/80/63/275038063.db2.gz RAQBZRXJFOAUQX-DOMZBBRYSA-N 2 2 312.373 2.842 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449188007 429353215 /nfs/dbraw/zinc/35/32/15/429353215.db2.gz FLJTXRLAJQKCJH-IOASZLSFSA-N 2 2 303.406 2.598 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449188007 429353218 /nfs/dbraw/zinc/35/32/18/429353218.db2.gz FLJTXRLAJQKCJH-IOASZLSFSA-N 2 2 303.406 2.598 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033063 429484056 /nfs/dbraw/zinc/48/40/56/429484056.db2.gz AKDQBMXLMSFSQO-CJNGLKHVSA-N 2 2 319.405 2.566 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428033063 429484058 /nfs/dbraw/zinc/48/40/58/429484058.db2.gz AKDQBMXLMSFSQO-CJNGLKHVSA-N 2 2 319.405 2.566 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000430241213 429667620 /nfs/dbraw/zinc/66/76/20/429667620.db2.gz GEARFNLHGPAONY-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000430241213 429667622 /nfs/dbraw/zinc/66/76/22/429667622.db2.gz GEARFNLHGPAONY-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000430241213 429667626 /nfs/dbraw/zinc/66/76/26/429667626.db2.gz GEARFNLHGPAONY-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000430241213 429667628 /nfs/dbraw/zinc/66/76/28/429667628.db2.gz GEARFNLHGPAONY-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430639319 429705081 /nfs/dbraw/zinc/70/50/81/429705081.db2.gz PATSYVIVYUVCNP-CYBMUJFWSA-N 2 2 307.394 2.553 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430639319 429705084 /nfs/dbraw/zinc/70/50/84/429705084.db2.gz PATSYVIVYUVCNP-CYBMUJFWSA-N 2 2 307.394 2.553 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104954 429789309 /nfs/dbraw/zinc/78/93/09/429789309.db2.gz MCIWBJIZMVOIBK-TZMCWYRMSA-N 2 2 314.389 2.786 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104954 429789311 /nfs/dbraw/zinc/78/93/11/429789311.db2.gz MCIWBJIZMVOIBK-TZMCWYRMSA-N 2 2 314.389 2.786 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000558492635 429975399 /nfs/dbraw/zinc/97/53/99/429975399.db2.gz DNBILEOQOFFCQZ-GMMCIKNFSA-N 2 2 312.373 2.868 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000558492635 429975402 /nfs/dbraw/zinc/97/54/02/429975402.db2.gz DNBILEOQOFFCQZ-GMMCIKNFSA-N 2 2 312.373 2.868 20 5 DFBDLP [NH3+]C[C@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582787011 430334092 /nfs/dbraw/zinc/33/40/92/430334092.db2.gz YBUZNIJSDJTPRJ-SFHVURJKSA-N 2 2 311.385 2.695 20 5 DFBDLP [NH3+]C[C@H]1c2ccccc2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582787011 430334095 /nfs/dbraw/zinc/33/40/95/430334095.db2.gz YBUZNIJSDJTPRJ-SFHVURJKSA-N 2 2 311.385 2.695 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363413676 289091167 /nfs/dbraw/zinc/09/11/67/289091167.db2.gz FZJUQAVTFYPEEK-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363413676 289091169 /nfs/dbraw/zinc/09/11/69/289091169.db2.gz FZJUQAVTFYPEEK-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363413676 289091170 /nfs/dbraw/zinc/09/11/70/289091170.db2.gz FZJUQAVTFYPEEK-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000363413676 289091172 /nfs/dbraw/zinc/09/11/72/289091172.db2.gz FZJUQAVTFYPEEK-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413139 302284653 /nfs/dbraw/zinc/28/46/53/302284653.db2.gz BPLDIXRKCJQJFG-JTQLQIEISA-N 2 2 322.315 2.596 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413139 302284656 /nfs/dbraw/zinc/28/46/56/302284656.db2.gz BPLDIXRKCJQJFG-JTQLQIEISA-N 2 2 322.315 2.596 20 5 DFBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414796350 316660644 /nfs/dbraw/zinc/66/06/44/316660644.db2.gz HQWVFNWRCFEQBP-HNNXBMFYSA-N 2 2 301.346 2.682 20 5 DFBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414796351 316660675 /nfs/dbraw/zinc/66/06/75/316660675.db2.gz HQWVFNWRCFEQBP-OAHLLOKOSA-N 2 2 301.346 2.682 20 5 DFBDLP Cc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000092648538 185331398 /nfs/dbraw/zinc/33/13/98/185331398.db2.gz OITGDERHTNWKNG-UHFFFAOYSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426216 398424320 /nfs/dbraw/zinc/42/43/20/398424320.db2.gz NBHMKONTVDEXNJ-HOTGVXAUSA-N 2 2 303.406 2.867 20 5 DFBDLP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426216 398424324 /nfs/dbraw/zinc/42/43/24/398424324.db2.gz NBHMKONTVDEXNJ-HOTGVXAUSA-N 2 2 303.406 2.867 20 5 DFBDLP CC1(C)C[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000596655683 398473001 /nfs/dbraw/zinc/47/30/01/398473001.db2.gz WVMAMQGEUPWDAT-XNYLIXPXSA-N 2 2 301.390 2.659 20 5 DFBDLP C[NH+](C)C(C)(C)C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152591958 186087935 /nfs/dbraw/zinc/08/79/35/186087935.db2.gz CPNMHMOWUBXTAK-OAHLLOKOSA-N 2 2 305.422 2.846 20 5 DFBDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093536809 398641469 /nfs/dbraw/zinc/64/14/69/398641469.db2.gz WAVCQYKZHPMQPH-BRWVUGGUSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093536809 398641472 /nfs/dbraw/zinc/64/14/72/398641472.db2.gz WAVCQYKZHPMQPH-BRWVUGGUSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093536809 398641476 /nfs/dbraw/zinc/64/14/76/398641476.db2.gz WAVCQYKZHPMQPH-BRWVUGGUSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000093536809 398641481 /nfs/dbraw/zinc/64/14/81/398641481.db2.gz WAVCQYKZHPMQPH-BRWVUGGUSA-N 2 2 315.417 2.819 20 5 DFBDLP COc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1[N+](=O)[O-] ZINC000414861638 295827460 /nfs/dbraw/zinc/82/74/60/295827460.db2.gz SNKVGXSJAXLRKS-UHFFFAOYSA-N 2 2 307.394 2.745 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000593727672 398678013 /nfs/dbraw/zinc/67/80/13/398678013.db2.gz PRTZOMWHEIXTSH-UONOGXRCSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000593727672 398678015 /nfs/dbraw/zinc/67/80/15/398678015.db2.gz PRTZOMWHEIXTSH-UONOGXRCSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173881335 198263874 /nfs/dbraw/zinc/26/38/74/198263874.db2.gz JCXBTROHMRWUCV-HNNXBMFYSA-N 2 2 303.406 2.903 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000173881335 198263875 /nfs/dbraw/zinc/26/38/75/198263875.db2.gz JCXBTROHMRWUCV-HNNXBMFYSA-N 2 2 303.406 2.903 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000595002963 398889329 /nfs/dbraw/zinc/88/93/29/398889329.db2.gz AAFUXFMNZCBGHW-LBPRGKRZSA-N 2 2 319.405 2.881 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000598994332 398905231 /nfs/dbraw/zinc/90/52/31/398905231.db2.gz KEKPIBANQVFGAR-CQSZACIVSA-N 2 2 321.421 2.815 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000598994332 398905233 /nfs/dbraw/zinc/90/52/33/398905233.db2.gz KEKPIBANQVFGAR-CQSZACIVSA-N 2 2 321.421 2.815 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000595348083 398925830 /nfs/dbraw/zinc/92/58/30/398925830.db2.gz YTMVSHSBVZUWJF-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000595467531 398945354 /nfs/dbraw/zinc/94/53/54/398945354.db2.gz MTSZBFWQKJKDRN-OAHLLOKOSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000595467531 398945355 /nfs/dbraw/zinc/94/53/55/398945355.db2.gz MTSZBFWQKJKDRN-OAHLLOKOSA-N 2 2 317.320 2.782 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420352960 296178738 /nfs/dbraw/zinc/17/87/38/296178738.db2.gz BCIGZEZWUVOXSB-OAHLLOKOSA-N 2 2 309.410 2.845 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000420361349 296179953 /nfs/dbraw/zinc/17/99/53/296179953.db2.gz MDKOLCKJIBOCCI-INIZCTEOSA-N 2 2 321.421 2.860 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267431686 206061871 /nfs/dbraw/zinc/06/18/71/206061871.db2.gz MSJGSBILQXSSOX-ZDUSSCGKSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267431686 206061873 /nfs/dbraw/zinc/06/18/73/206061873.db2.gz MSJGSBILQXSSOX-ZDUSSCGKSA-N 2 2 316.361 2.576 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267455933 206081268 /nfs/dbraw/zinc/08/12/68/206081268.db2.gz RRMWTEQRBLYGFH-OAHLLOKOSA-N 2 2 318.352 2.903 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267455933 206081274 /nfs/dbraw/zinc/08/12/74/206081274.db2.gz RRMWTEQRBLYGFH-OAHLLOKOSA-N 2 2 318.352 2.903 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601134851 399237074 /nfs/dbraw/zinc/23/70/74/399237074.db2.gz IQQPGRNKCJOBTP-LBPRGKRZSA-N 2 2 323.356 2.870 20 5 DFBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@H+]1C ZINC000601169932 399246103 /nfs/dbraw/zinc/24/61/03/399246103.db2.gz SFZFFRCMCNSDQV-TXEJJXNPSA-N 2 2 300.362 2.672 20 5 DFBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C[C@H](C)[N@@H+]1C ZINC000601169932 399246107 /nfs/dbraw/zinc/24/61/07/399246107.db2.gz SFZFFRCMCNSDQV-TXEJJXNPSA-N 2 2 300.362 2.672 20 5 DFBDLP CCC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000109786447 194286100 /nfs/dbraw/zinc/28/61/00/194286100.db2.gz NPVXRVBOCNBDIN-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000109786447 194286102 /nfs/dbraw/zinc/28/61/02/194286102.db2.gz NPVXRVBOCNBDIN-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422721273 296321326 /nfs/dbraw/zinc/32/13/26/296321326.db2.gz UUZVVCGYQXVVHO-CVEARBPZSA-N 2 2 313.357 2.838 20 5 DFBDLP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602724447 399541771 /nfs/dbraw/zinc/54/17/71/399541771.db2.gz SXTYGDLMJQKURX-LBPRGKRZSA-N 2 2 318.377 2.558 20 5 DFBDLP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602724447 399541775 /nfs/dbraw/zinc/54/17/75/399541775.db2.gz SXTYGDLMJQKURX-LBPRGKRZSA-N 2 2 318.377 2.558 20 5 DFBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000271068906 208598720 /nfs/dbraw/zinc/59/87/20/208598720.db2.gz DNLKDSATXXZGFY-CYBMUJFWSA-N 2 2 320.418 2.952 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156505459 197119213 /nfs/dbraw/zinc/11/92/13/197119213.db2.gz CBYILABZBZOTQU-CJNGLKHVSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156505459 197119215 /nfs/dbraw/zinc/11/92/15/197119215.db2.gz CBYILABZBZOTQU-CJNGLKHVSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1[NH3+] ZINC000261942961 146307042 /nfs/dbraw/zinc/30/70/42/146307042.db2.gz DXVOMLCOZMOZEB-SMDDNHRTSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1[NH3+] ZINC000261942961 146307044 /nfs/dbraw/zinc/30/70/44/146307044.db2.gz DXVOMLCOZMOZEB-SMDDNHRTSA-N 2 2 301.346 2.634 20 5 DFBDLP Cc1ccc(C[N@H+](CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000262095478 146332967 /nfs/dbraw/zinc/33/29/67/146332967.db2.gz VDDRABFJTGXCEZ-UHFFFAOYSA-N 2 2 313.401 2.907 20 5 DFBDLP Cc1ccc(C[N@@H+](CC[NH3+])CCc2ccccc2)cc1[N+](=O)[O-] ZINC000262095478 146332968 /nfs/dbraw/zinc/33/29/68/146332968.db2.gz VDDRABFJTGXCEZ-UHFFFAOYSA-N 2 2 313.401 2.907 20 5 DFBDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371403721 150040961 /nfs/dbraw/zinc/04/09/61/150040961.db2.gz WAVCQYKZHPMQPH-ZACQAIPSSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371403721 150040965 /nfs/dbraw/zinc/04/09/65/150040965.db2.gz WAVCQYKZHPMQPH-ZACQAIPSSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371403721 150040971 /nfs/dbraw/zinc/04/09/71/150040971.db2.gz WAVCQYKZHPMQPH-ZACQAIPSSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1[N+](=O)[O-] ZINC000371403721 150040977 /nfs/dbraw/zinc/04/09/77/150040977.db2.gz WAVCQYKZHPMQPH-ZACQAIPSSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1cn2c([nH+]1)[C@H](C[NH2+]Cc1cccc([N+](=O)[O-])c1)CCC2 ZINC000372949537 150206768 /nfs/dbraw/zinc/20/67/68/150206768.db2.gz OXJRFYHFJQKPIZ-AWEZNQCLSA-N 2 2 300.362 2.767 20 5 DFBDLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000352773522 286463445 /nfs/dbraw/zinc/46/34/45/286463445.db2.gz UCSWZKDAQLMXQJ-NSHDSACASA-N 2 2 320.418 2.964 20 5 DFBDLP Cc1[nH+]ccn1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270913586 268234622 /nfs/dbraw/zinc/23/46/22/268234622.db2.gz TVTHTBVWVQFHRV-UHFFFAOYSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000270913586 268234624 /nfs/dbraw/zinc/23/46/24/268234624.db2.gz TVTHTBVWVQFHRV-UHFFFAOYSA-N 2 2 300.362 2.764 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158544873 425944049 /nfs/dbraw/zinc/94/40/49/425944049.db2.gz LJQCJGAHHNUTMV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158544873 425944052 /nfs/dbraw/zinc/94/40/52/425944052.db2.gz LJQCJGAHHNUTMV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158544873 425944056 /nfs/dbraw/zinc/94/40/56/425944056.db2.gz LJQCJGAHHNUTMV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158544873 425944058 /nfs/dbraw/zinc/94/40/58/425944058.db2.gz LJQCJGAHHNUTMV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154520494 426443341 /nfs/dbraw/zinc/44/33/41/426443341.db2.gz LUPQONSVDYBHNA-HOTGVXAUSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154520494 426443345 /nfs/dbraw/zinc/44/33/45/426443345.db2.gz LUPQONSVDYBHNA-HOTGVXAUSA-N 2 2 303.406 2.600 20 5 DFBDLP C[C@@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247979741 426971323 /nfs/dbraw/zinc/97/13/23/426971323.db2.gz METBXPYQLQSEFP-QLFBSQMISA-N 2 2 321.421 2.745 20 5 DFBDLP C[C@@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247979741 426971328 /nfs/dbraw/zinc/97/13/28/426971328.db2.gz METBXPYQLQSEFP-QLFBSQMISA-N 2 2 321.421 2.745 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)c1 ZINC000182867463 427159363 /nfs/dbraw/zinc/15/93/63/427159363.db2.gz PDWNVHLSPYQCRG-UHFFFAOYSA-N 2 2 300.362 2.846 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)c1 ZINC000182867463 427159369 /nfs/dbraw/zinc/15/93/69/427159369.db2.gz PDWNVHLSPYQCRG-UHFFFAOYSA-N 2 2 300.362 2.846 20 5 DFBDLP C[NH+](C)[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277373583 427182708 /nfs/dbraw/zinc/18/27/08/427182708.db2.gz XULASSSGCCBJLG-GFCCVEGCSA-N 2 2 318.377 2.652 20 5 DFBDLP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277373583 427182711 /nfs/dbraw/zinc/18/27/11/427182711.db2.gz XULASSSGCCBJLG-GFCCVEGCSA-N 2 2 318.377 2.652 20 5 DFBDLP C[N@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435950 427229208 /nfs/dbraw/zinc/22/92/08/427229208.db2.gz HZKQQTAOEODNQK-PBWFPOADSA-N 2 2 307.369 2.791 20 5 DFBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435950 427229212 /nfs/dbraw/zinc/22/92/12/427229212.db2.gz HZKQQTAOEODNQK-PBWFPOADSA-N 2 2 307.369 2.791 20 5 DFBDLP C[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285435950 427229214 /nfs/dbraw/zinc/22/92/14/427229214.db2.gz HZKQQTAOEODNQK-PBWFPOADSA-N 2 2 307.369 2.791 20 5 DFBDLP C[NH+](Cc1ccc([N+](=O)[O-])c(F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285435950 427229217 /nfs/dbraw/zinc/22/92/17/427229217.db2.gz HZKQQTAOEODNQK-PBWFPOADSA-N 2 2 307.369 2.791 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613823 427275310 /nfs/dbraw/zinc/27/53/10/427275310.db2.gz RPHWUPZIJDADGO-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613823 427275317 /nfs/dbraw/zinc/27/53/17/427275317.db2.gz RPHWUPZIJDADGO-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613823 427275321 /nfs/dbraw/zinc/27/53/21/427275321.db2.gz RPHWUPZIJDADGO-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613823 427275327 /nfs/dbraw/zinc/27/53/27/427275327.db2.gz RPHWUPZIJDADGO-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000192591449 427568216 /nfs/dbraw/zinc/56/82/16/427568216.db2.gz OKKHKBZDRADKCV-INIZCTEOSA-N 2 2 300.362 2.849 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000349980128 427914718 /nfs/dbraw/zinc/91/47/18/427914718.db2.gz YMIVDXOVZXNWPA-QGZVFWFLSA-N 2 2 313.357 2.952 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000349980128 427914722 /nfs/dbraw/zinc/91/47/22/427914722.db2.gz YMIVDXOVZXNWPA-QGZVFWFLSA-N 2 2 313.357 2.952 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000413248141 428001214 /nfs/dbraw/zinc/00/12/14/428001214.db2.gz JRFJRNVLUVIGCV-GFCCVEGCSA-N 2 2 309.329 2.766 20 5 DFBDLP CC[C@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412788 428125008 /nfs/dbraw/zinc/12/50/08/428125008.db2.gz OUWGMLAOWQZGQO-JSGCOSHPSA-N 2 2 300.362 2.916 20 5 DFBDLP CC[C@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412788 428125011 /nfs/dbraw/zinc/12/50/11/428125011.db2.gz OUWGMLAOWQZGQO-JSGCOSHPSA-N 2 2 300.362 2.916 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342233 428263288 /nfs/dbraw/zinc/26/32/88/428263288.db2.gz MBCTWECALYNWOP-PVAVHDDUSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342233 428263290 /nfs/dbraw/zinc/26/32/90/428263290.db2.gz MBCTWECALYNWOP-PVAVHDDUSA-N 2 2 317.433 2.990 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342741 428262554 /nfs/dbraw/zinc/26/25/54/428262554.db2.gz MSZGMGSPOGSBBX-TZMCWYRMSA-N 2 2 307.394 2.738 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342741 428262558 /nfs/dbraw/zinc/26/25/58/428262558.db2.gz MSZGMGSPOGSBBX-TZMCWYRMSA-N 2 2 307.394 2.738 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342232 428262781 /nfs/dbraw/zinc/26/27/81/428262781.db2.gz MBCTWECALYNWOP-HYVNUMGLSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342232 428262787 /nfs/dbraw/zinc/26/27/87/428262787.db2.gz MBCTWECALYNWOP-HYVNUMGLSA-N 2 2 317.433 2.990 20 5 DFBDLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059793 428505752 /nfs/dbraw/zinc/50/57/52/428505752.db2.gz XMYVDTVCDZRANZ-HUUCEWRRSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059793 428505756 /nfs/dbraw/zinc/50/57/56/428505756.db2.gz XMYVDTVCDZRANZ-HUUCEWRRSA-N 2 2 319.405 2.567 20 5 DFBDLP C[NH+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413140689 429146437 /nfs/dbraw/zinc/14/64/37/429146437.db2.gz ORJHSHVWKJFTNP-LBPRGKRZSA-N 2 2 300.362 2.531 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449192319 429354397 /nfs/dbraw/zinc/35/43/97/429354397.db2.gz UMBVRLJGAPRFEI-IPYPFGDCSA-N 2 2 303.406 2.741 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449192319 429354400 /nfs/dbraw/zinc/35/44/00/429354400.db2.gz UMBVRLJGAPRFEI-IPYPFGDCSA-N 2 2 303.406 2.741 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243986 429666316 /nfs/dbraw/zinc/66/63/16/429666316.db2.gz NGPZXLITABSPLM-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243986 429666320 /nfs/dbraw/zinc/66/63/20/429666320.db2.gz NGPZXLITABSPLM-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243986 429666324 /nfs/dbraw/zinc/66/63/24/429666324.db2.gz NGPZXLITABSPLM-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243986 429666326 /nfs/dbraw/zinc/66/63/26/429666326.db2.gz NGPZXLITABSPLM-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000430241214 429667762 /nfs/dbraw/zinc/66/77/62/429667762.db2.gz GEARFNLHGPAONY-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000430241214 429667767 /nfs/dbraw/zinc/66/77/67/429667767.db2.gz GEARFNLHGPAONY-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000430241214 429667770 /nfs/dbraw/zinc/66/77/70/429667770.db2.gz GEARFNLHGPAONY-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000430241214 429667774 /nfs/dbraw/zinc/66/77/74/429667774.db2.gz GEARFNLHGPAONY-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430546030 429689912 /nfs/dbraw/zinc/68/99/12/429689912.db2.gz CJFGSWHVMUMJMY-UONOGXRCSA-N 2 2 321.421 2.941 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430546030 429689914 /nfs/dbraw/zinc/68/99/14/429689914.db2.gz CJFGSWHVMUMJMY-UONOGXRCSA-N 2 2 321.421 2.941 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000526053227 429698605 /nfs/dbraw/zinc/69/86/05/429698605.db2.gz ZGLIZODSIHXVJA-MKRLJBPISA-N 2 2 303.406 2.930 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000526053227 429698608 /nfs/dbraw/zinc/69/86/08/429698608.db2.gz ZGLIZODSIHXVJA-MKRLJBPISA-N 2 2 303.406 2.930 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000367698727 429703982 /nfs/dbraw/zinc/70/39/82/429703982.db2.gz FQYUKFQFODAHRV-LBPRGKRZSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000367698727 429703987 /nfs/dbraw/zinc/70/39/87/429703987.db2.gz FQYUKFQFODAHRV-LBPRGKRZSA-N 2 2 320.780 2.971 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430952300 429728948 /nfs/dbraw/zinc/72/89/48/429728948.db2.gz YQIYRGVOAOGZSA-WFASDCNBSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000430952300 429728952 /nfs/dbraw/zinc/72/89/52/429728952.db2.gz YQIYRGVOAOGZSA-WFASDCNBSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430952299 429729728 /nfs/dbraw/zinc/72/97/28/429729728.db2.gz YQIYRGVOAOGZSA-SWLSCSKDSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000430952299 429729733 /nfs/dbraw/zinc/72/97/33/429729733.db2.gz YQIYRGVOAOGZSA-SWLSCSKDSA-N 2 2 307.394 2.551 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000557329194 429935989 /nfs/dbraw/zinc/93/59/89/429935989.db2.gz GAQHDGLLLYRGOV-LSDHHAIUSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000557329194 429935995 /nfs/dbraw/zinc/93/59/95/429935995.db2.gz GAQHDGLLLYRGOV-LSDHHAIUSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000557329190 429936035 /nfs/dbraw/zinc/93/60/35/429936035.db2.gz GAQHDGLLLYRGOV-GJZGRUSLSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000557329190 429936040 /nfs/dbraw/zinc/93/60/40/429936040.db2.gz GAQHDGLLLYRGOV-GJZGRUSLSA-N 2 2 319.405 2.580 20 5 DFBDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587629 430221905 /nfs/dbraw/zinc/22/19/05/430221905.db2.gz RAUWNNQICBHGSK-CABCVRRESA-N 2 2 323.441 2.597 20 5 DFBDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587629 430221908 /nfs/dbraw/zinc/22/19/08/430221908.db2.gz RAUWNNQICBHGSK-CABCVRRESA-N 2 2 323.441 2.597 20 5 DFBDLP C[C@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507158 430633256 /nfs/dbraw/zinc/63/32/56/430633256.db2.gz SCIUIHRQAGFLAV-GUYCJALGSA-N 2 2 303.406 2.904 20 5 DFBDLP CC[C@@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272572 280189551 /nfs/dbraw/zinc/18/95/51/280189551.db2.gz VVUGLXQFVLRSNQ-WMLDXEAASA-N 2 2 321.421 2.604 20 5 DFBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414793603 316660150 /nfs/dbraw/zinc/66/01/50/316660150.db2.gz KXCODWHTYAYZAX-AWEZNQCLSA-N 2 2 303.362 2.928 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261928277 535022381 /nfs/dbraw/zinc/02/23/81/535022381.db2.gz ZPJACALUZZRKSV-MRXNPFEDSA-N 2 2 307.394 2.553 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261928277 535022384 /nfs/dbraw/zinc/02/23/84/535022384.db2.gz ZPJACALUZZRKSV-MRXNPFEDSA-N 2 2 307.394 2.553 20 5 DFBDLP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426218 398424443 /nfs/dbraw/zinc/42/44/43/398424443.db2.gz NBHMKONTVDEXNJ-HZPDHXFCSA-N 2 2 303.406 2.867 20 5 DFBDLP Cc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426218 398424447 /nfs/dbraw/zinc/42/44/47/398424447.db2.gz NBHMKONTVDEXNJ-HZPDHXFCSA-N 2 2 303.406 2.867 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592427690 398425690 /nfs/dbraw/zinc/42/56/90/398425690.db2.gz QJDQPXSKQDNMIS-DOMZBBRYSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000592427690 398425693 /nfs/dbraw/zinc/42/56/93/398425693.db2.gz QJDQPXSKQDNMIS-DOMZBBRYSA-N 2 2 307.394 2.553 20 5 DFBDLP CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1[NH3+] ZINC000592487976 398432663 /nfs/dbraw/zinc/43/26/63/398432663.db2.gz DUOPLAXRFVJYBH-CZUORRHYSA-N 2 2 321.421 2.941 20 5 DFBDLP CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1[NH3+] ZINC000592487976 398432666 /nfs/dbraw/zinc/43/26/66/398432666.db2.gz DUOPLAXRFVJYBH-CZUORRHYSA-N 2 2 321.421 2.941 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593314790 398596885 /nfs/dbraw/zinc/59/68/85/398596885.db2.gz IIJSBQZEYCVBNW-YOEHRIQHSA-N 2 2 319.405 2.554 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000593314790 398596887 /nfs/dbraw/zinc/59/68/87/398596887.db2.gz IIJSBQZEYCVBNW-YOEHRIQHSA-N 2 2 319.405 2.554 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]([NH3+])c1ccccc1 ZINC000414833223 295823862 /nfs/dbraw/zinc/82/38/62/295823862.db2.gz PNIABTWKMKTCEM-MRXNPFEDSA-N 2 2 315.373 2.783 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]([NH3+])c1ccccc1 ZINC000414833221 295823866 /nfs/dbraw/zinc/82/38/66/295823866.db2.gz PNIABTWKMKTCEM-INIZCTEOSA-N 2 2 315.373 2.783 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281839 398745453 /nfs/dbraw/zinc/74/54/53/398745453.db2.gz OMHWNIOMTHVDHU-QCEMKRCNSA-N 2 2 321.396 2.596 20 5 DFBDLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902516 213164430 /nfs/dbraw/zinc/16/44/30/213164430.db2.gz MAGTUFKWVAETPQ-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902516 213164432 /nfs/dbraw/zinc/16/44/32/213164432.db2.gz MAGTUFKWVAETPQ-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902516 213164433 /nfs/dbraw/zinc/16/44/33/213164433.db2.gz MAGTUFKWVAETPQ-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902516 213164435 /nfs/dbraw/zinc/16/44/35/213164435.db2.gz MAGTUFKWVAETPQ-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000276878528 213150789 /nfs/dbraw/zinc/15/07/89/213150789.db2.gz ILWRLLBJUISEAG-UHFFFAOYSA-N 2 2 318.377 2.712 20 5 DFBDLP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2)ccc1[N+](=O)[O-] ZINC000276878528 213150793 /nfs/dbraw/zinc/15/07/93/213150793.db2.gz ILWRLLBJUISEAG-UHFFFAOYSA-N 2 2 318.377 2.712 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595024981 398893880 /nfs/dbraw/zinc/89/38/80/398893880.db2.gz IQRHGFWLABZZBJ-AGIUHOORSA-N 2 2 307.394 2.737 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595024981 398893884 /nfs/dbraw/zinc/89/38/84/398893884.db2.gz IQRHGFWLABZZBJ-AGIUHOORSA-N 2 2 307.394 2.737 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355354 296013417 /nfs/dbraw/zinc/01/34/17/296013417.db2.gz NKQILRRLIQKZKA-HOCLYGCPSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456464 206080926 /nfs/dbraw/zinc/08/09/26/206080926.db2.gz PMJJENGUOUJHBW-LRDDRELGSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456464 206080929 /nfs/dbraw/zinc/08/09/29/206080929.db2.gz PMJJENGUOUJHBW-LRDDRELGSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456464 206080932 /nfs/dbraw/zinc/08/09/32/206080932.db2.gz PMJJENGUOUJHBW-LRDDRELGSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456464 206080938 /nfs/dbraw/zinc/08/09/38/206080938.db2.gz PMJJENGUOUJHBW-LRDDRELGSA-N 2 2 309.385 2.896 20 5 DFBDLP C[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804178 399407861 /nfs/dbraw/zinc/40/78/61/399407861.db2.gz MCBMINGJCRETFH-CVEARBPZSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804178 399407863 /nfs/dbraw/zinc/40/78/63/399407863.db2.gz MCBMINGJCRETFH-CVEARBPZSA-N 2 2 303.406 2.600 20 5 DFBDLP CC(C)C[N@H+](C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602700429 399526754 /nfs/dbraw/zinc/52/67/54/399526754.db2.gz SEEIQHZONQKARI-UHFFFAOYSA-N 2 2 320.393 2.804 20 5 DFBDLP CC(C)C[N@@H+](C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602700429 399526758 /nfs/dbraw/zinc/52/67/58/399526758.db2.gz SEEIQHZONQKARI-UHFFFAOYSA-N 2 2 320.393 2.804 20 5 DFBDLP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423193371 296390910 /nfs/dbraw/zinc/39/09/10/296390910.db2.gz XHENKHPOPOBNIC-CQSZACIVSA-N 2 2 314.389 2.820 20 5 DFBDLP C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000262137813 146338313 /nfs/dbraw/zinc/33/83/13/146338313.db2.gz YUQMIPDCXOMTDW-XHDPSFHLSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000262137813 146338317 /nfs/dbraw/zinc/33/83/17/146338317.db2.gz YUQMIPDCXOMTDW-XHDPSFHLSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000262137812 146338385 /nfs/dbraw/zinc/33/83/85/146338385.db2.gz YUQMIPDCXOMTDW-NHYWBVRUSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000262137812 146338389 /nfs/dbraw/zinc/33/83/89/146338389.db2.gz YUQMIPDCXOMTDW-NHYWBVRUSA-N 2 2 301.346 2.634 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c(F)c1 ZINC000350627636 286064952 /nfs/dbraw/zinc/06/49/52/286064952.db2.gz RUIFCVCIWWZUOR-UHFFFAOYSA-N 2 2 307.369 2.840 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000427839253 296669846 /nfs/dbraw/zinc/66/98/46/296669846.db2.gz DHDJXIANUGFWSR-STQMWFEESA-N 2 2 300.362 2.765 20 5 DFBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408429 426099327 /nfs/dbraw/zinc/09/93/27/426099327.db2.gz OGDREKATFGBTOE-SJORKVTESA-N 2 2 321.421 2.746 20 5 DFBDLP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408429 426099329 /nfs/dbraw/zinc/09/93/29/426099329.db2.gz OGDREKATFGBTOE-SJORKVTESA-N 2 2 321.421 2.746 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000151112717 426277946 /nfs/dbraw/zinc/27/79/46/426277946.db2.gz HYRZKTUGIXNRQT-INIZCTEOSA-N 2 2 314.389 2.792 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123298540 426425247 /nfs/dbraw/zinc/42/52/47/426425247.db2.gz DIDZDWUJYSNJDN-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000123298540 426425250 /nfs/dbraw/zinc/42/52/50/426425250.db2.gz DIDZDWUJYSNJDN-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123298540 426425253 /nfs/dbraw/zinc/42/52/53/426425253.db2.gz DIDZDWUJYSNJDN-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123298540 426425255 /nfs/dbraw/zinc/42/52/55/426425255.db2.gz DIDZDWUJYSNJDN-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266951727 426802877 /nfs/dbraw/zinc/80/28/77/426802877.db2.gz ULIYZOBBYMDWSQ-GFCCVEGCSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000266951727 426802883 /nfs/dbraw/zinc/80/28/83/426802883.db2.gz ULIYZOBBYMDWSQ-GFCCVEGCSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000330420323 427236082 /nfs/dbraw/zinc/23/60/82/427236082.db2.gz PTWQXWGSINMCLE-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000330420323 427236086 /nfs/dbraw/zinc/23/60/86/427236086.db2.gz PTWQXWGSINMCLE-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000270472970 427361128 /nfs/dbraw/zinc/36/11/28/427361128.db2.gz CHKBWMHTSQDKGI-UHFFFAOYSA-N 2 2 307.394 2.521 20 5 DFBDLP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000270472970 427361133 /nfs/dbraw/zinc/36/11/33/427361133.db2.gz CHKBWMHTSQDKGI-UHFFFAOYSA-N 2 2 307.394 2.521 20 5 DFBDLP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000346332665 428131017 /nfs/dbraw/zinc/13/10/17/428131017.db2.gz VCHLHKBTCRGCLM-UHFFFAOYSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000346332665 428131023 /nfs/dbraw/zinc/13/10/23/428131023.db2.gz VCHLHKBTCRGCLM-UHFFFAOYSA-N 2 2 300.362 2.764 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535056 428138948 /nfs/dbraw/zinc/13/89/48/428138948.db2.gz LWYWHGRFMJJCIN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535056 428138955 /nfs/dbraw/zinc/13/89/55/428138955.db2.gz LWYWHGRFMJJCIN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535056 428138959 /nfs/dbraw/zinc/13/89/59/428138959.db2.gz LWYWHGRFMJJCIN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535056 428138966 /nfs/dbraw/zinc/13/89/66/428138966.db2.gz LWYWHGRFMJJCIN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)o2)cc1 ZINC000346682422 428270447 /nfs/dbraw/zinc/27/04/47/428270447.db2.gz DSGTZLGZLMCMTN-UHFFFAOYSA-N 2 2 301.346 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)o2)cc1 ZINC000346682422 428270451 /nfs/dbraw/zinc/27/04/51/428270451.db2.gz DSGTZLGZLMCMTN-UHFFFAOYSA-N 2 2 301.346 2.650 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346691796 428276621 /nfs/dbraw/zinc/27/66/21/428276621.db2.gz WJYHUMLCZJZSBA-OAHLLOKOSA-N 2 2 309.410 2.799 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346691796 428276625 /nfs/dbraw/zinc/27/66/25/428276625.db2.gz WJYHUMLCZJZSBA-OAHLLOKOSA-N 2 2 309.410 2.799 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CC[NH2+]C3)s2)cc1 ZINC000414881486 428444490 /nfs/dbraw/zinc/44/44/90/428444490.db2.gz LAKBEXUKKRQZDU-GFCCVEGCSA-N 2 2 303.387 2.775 20 5 DFBDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347103136 428448004 /nfs/dbraw/zinc/44/80/04/428448004.db2.gz LXCGSPRLACGGMX-AWEZNQCLSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347103136 428448007 /nfs/dbraw/zinc/44/80/07/428448007.db2.gz LXCGSPRLACGGMX-AWEZNQCLSA-N 2 2 301.346 2.778 20 5 DFBDLP Cc1ccc(C[NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)cc1[N+](=O)[O-] ZINC000415058759 428503930 /nfs/dbraw/zinc/50/39/30/428503930.db2.gz WETAFXLIABHXKL-DLBZAZTESA-N 2 2 311.385 2.748 20 5 DFBDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000375265083 428837694 /nfs/dbraw/zinc/83/76/94/428837694.db2.gz FFYGEPSYVNBBFQ-LBPRGKRZSA-N 2 2 300.362 2.978 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000449079289 429324878 /nfs/dbraw/zinc/32/48/78/429324878.db2.gz OHMWVDAMISZCBM-GJZGRUSLSA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000449079289 429324883 /nfs/dbraw/zinc/32/48/83/429324883.db2.gz OHMWVDAMISZCBM-GJZGRUSLSA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000449084035 429326545 /nfs/dbraw/zinc/32/65/45/429326545.db2.gz WEMLQXUEVQAHBF-LSDHHAIUSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000449084035 429326550 /nfs/dbraw/zinc/32/65/50/429326550.db2.gz WEMLQXUEVQAHBF-LSDHHAIUSA-N 2 2 305.422 2.847 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430546029 429689647 /nfs/dbraw/zinc/68/96/47/429689647.db2.gz CJFGSWHVMUMJMY-KGLIPLIRSA-N 2 2 321.421 2.941 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430546029 429689651 /nfs/dbraw/zinc/68/96/51/429689651.db2.gz CJFGSWHVMUMJMY-KGLIPLIRSA-N 2 2 321.421 2.941 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995508 429761683 /nfs/dbraw/zinc/76/16/83/429761683.db2.gz NBKRIYLXYGSDCQ-YPMHNXCESA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000367995508 429761685 /nfs/dbraw/zinc/76/16/85/429761685.db2.gz NBKRIYLXYGSDCQ-YPMHNXCESA-N 2 2 300.362 2.834 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568643241 430377736 /nfs/dbraw/zinc/37/77/36/430377736.db2.gz HXPIZRPLOMMZBM-GXTWGEPZSA-N 2 2 307.394 2.694 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000568643241 430377741 /nfs/dbraw/zinc/37/77/41/430377741.db2.gz HXPIZRPLOMMZBM-GXTWGEPZSA-N 2 2 307.394 2.694 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363413674 289091156 /nfs/dbraw/zinc/09/11/56/289091156.db2.gz FZJUQAVTFYPEEK-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363413674 289091158 /nfs/dbraw/zinc/09/11/58/289091158.db2.gz FZJUQAVTFYPEEK-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363413674 289091159 /nfs/dbraw/zinc/09/11/59/289091159.db2.gz FZJUQAVTFYPEEK-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000363413674 289091161 /nfs/dbraw/zinc/09/11/61/289091161.db2.gz FZJUQAVTFYPEEK-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414215 289091220 /nfs/dbraw/zinc/09/12/20/289091220.db2.gz LGTVOVNXDVZNSX-BFYDXBDKSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414215 289091221 /nfs/dbraw/zinc/09/12/21/289091221.db2.gz LGTVOVNXDVZNSX-BFYDXBDKSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414215 289091222 /nfs/dbraw/zinc/09/12/22/289091222.db2.gz LGTVOVNXDVZNSX-BFYDXBDKSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414215 289091223 /nfs/dbraw/zinc/09/12/23/289091223.db2.gz LGTVOVNXDVZNSX-BFYDXBDKSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2nc(C[NH2+]C3CC[NH2+]CC3)cs2)c1 ZINC000414791920 316659376 /nfs/dbraw/zinc/65/93/76/316659376.db2.gz RKQZMHOBYWOCPF-UHFFFAOYSA-N 2 2 318.402 2.560 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000574823611 318043135 /nfs/dbraw/zinc/04/31/35/318043135.db2.gz VJQNUQSGAVDFLQ-HNNXBMFYSA-N 2 2 300.362 2.849 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000580465411 323390953 /nfs/dbraw/zinc/39/09/53/323390953.db2.gz HPNJKMSTCCBXFR-ZOBUZTSGSA-N 2 2 301.390 2.799 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000580465411 323390956 /nfs/dbraw/zinc/39/09/56/323390956.db2.gz HPNJKMSTCCBXFR-ZOBUZTSGSA-N 2 2 301.390 2.799 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584350823 336060897 /nfs/dbraw/zinc/06/08/97/336060897.db2.gz DPSJUZOELASQJN-KRWDZBQOSA-N 2 2 319.405 2.569 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584350823 336060898 /nfs/dbraw/zinc/06/08/98/336060898.db2.gz DPSJUZOELASQJN-KRWDZBQOSA-N 2 2 319.405 2.569 20 5 DFBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347241 523835179 /nfs/dbraw/zinc/83/51/79/523835179.db2.gz KFLSDKKNQAFSAX-ZBFHGGJFSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347241 523835182 /nfs/dbraw/zinc/83/51/82/523835182.db2.gz KFLSDKKNQAFSAX-ZBFHGGJFSA-N 2 2 321.421 2.665 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000365648511 527470113 /nfs/dbraw/zinc/47/01/13/527470113.db2.gz JRMHCUCSZWFVDL-LBPRGKRZSA-N 2 2 306.391 2.769 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000365648511 527470118 /nfs/dbraw/zinc/47/01/18/527470118.db2.gz JRMHCUCSZWFVDL-LBPRGKRZSA-N 2 2 306.391 2.769 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCc4[nH+]ccn4C3)c2c1 ZINC000591141749 398731087 /nfs/dbraw/zinc/73/10/87/398731087.db2.gz ZACLSTMNMSTOKP-GFCCVEGCSA-N 2 2 309.329 2.766 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281841 398745308 /nfs/dbraw/zinc/74/53/08/398745308.db2.gz OMHWNIOMTHVDHU-TUUVXOQKSA-N 2 2 321.396 2.596 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)o2)cc1 ZINC000591281626 398745615 /nfs/dbraw/zinc/74/56/15/398745615.db2.gz GDBHCBUIROPGNJ-STQMWFEESA-N 2 2 319.336 2.644 20 5 DFBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH2+]C1CC1 ZINC000591577238 398772902 /nfs/dbraw/zinc/77/29/02/398772902.db2.gz FVAGLHPFTDRDRQ-GFCCVEGCSA-N 2 2 309.435 2.807 20 5 DFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547647 192287355 /nfs/dbraw/zinc/28/73/55/192287355.db2.gz SLYZUNWAYLFPMQ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547647 192287358 /nfs/dbraw/zinc/28/73/58/192287358.db2.gz SLYZUNWAYLFPMQ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547647 192287360 /nfs/dbraw/zinc/28/73/60/192287360.db2.gz SLYZUNWAYLFPMQ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547647 192287363 /nfs/dbraw/zinc/28/73/63/192287363.db2.gz SLYZUNWAYLFPMQ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547649 192288376 /nfs/dbraw/zinc/28/83/76/192288376.db2.gz SLYZUNWAYLFPMQ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547649 192288378 /nfs/dbraw/zinc/28/83/78/192288378.db2.gz SLYZUNWAYLFPMQ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547649 192288380 /nfs/dbraw/zinc/28/83/80/192288380.db2.gz SLYZUNWAYLFPMQ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000081547649 192288382 /nfs/dbraw/zinc/28/83/82/192288382.db2.gz SLYZUNWAYLFPMQ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000598994331 398905031 /nfs/dbraw/zinc/90/50/31/398905031.db2.gz KEKPIBANQVFGAR-AWEZNQCLSA-N 2 2 321.421 2.815 20 5 DFBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094130 398904783 /nfs/dbraw/zinc/90/47/83/398904783.db2.gz DOENBEARLUDXNF-IAGOWNOFSA-N 2 2 317.433 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094130 398904786 /nfs/dbraw/zinc/90/47/86/398904786.db2.gz DOENBEARLUDXNF-IAGOWNOFSA-N 2 2 317.433 2.990 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000598994331 398905029 /nfs/dbraw/zinc/90/50/29/398905029.db2.gz KEKPIBANQVFGAR-AWEZNQCLSA-N 2 2 321.421 2.815 20 5 DFBDLP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@H]1CCn2cc[nH+]c2C1 ZINC000595466741 398944539 /nfs/dbraw/zinc/94/45/39/398944539.db2.gz RYAHMHPSWHJEFD-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504403 398951836 /nfs/dbraw/zinc/95/18/36/398951836.db2.gz IPMOWWMNUOKHEY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504403 398951838 /nfs/dbraw/zinc/95/18/38/398951838.db2.gz IPMOWWMNUOKHEY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504403 398951842 /nfs/dbraw/zinc/95/18/42/398951842.db2.gz IPMOWWMNUOKHEY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504403 398951845 /nfs/dbraw/zinc/95/18/45/398951845.db2.gz IPMOWWMNUOKHEY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CC[N@H+](CC[NH3+])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000600771951 399141298 /nfs/dbraw/zinc/14/12/98/399141298.db2.gz CTJXZCMVFKCAEZ-UHFFFAOYSA-N 2 2 319.361 2.644 20 5 DFBDLP CC[N@@H+](CC[NH3+])Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000600771951 399141301 /nfs/dbraw/zinc/14/13/01/399141301.db2.gz CTJXZCMVFKCAEZ-UHFFFAOYSA-N 2 2 319.361 2.644 20 5 DFBDLP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCn2cc[nH+]c2C1 ZINC000618903298 399255348 /nfs/dbraw/zinc/25/53/48/399255348.db2.gz XASUHUBCSNFGNJ-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCn2cc[nH+]c2C1 ZINC000618903298 399255349 /nfs/dbraw/zinc/25/53/49/399255349.db2.gz XASUHUBCSNFGNJ-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCn2cc[nH+]c2C1 ZINC000618903299 399255381 /nfs/dbraw/zinc/25/53/81/399255381.db2.gz XASUHUBCSNFGNJ-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCn2cc[nH+]c2C1 ZINC000618903299 399255383 /nfs/dbraw/zinc/25/53/83/399255383.db2.gz XASUHUBCSNFGNJ-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260514 399311685 /nfs/dbraw/zinc/31/16/85/399311685.db2.gz UTHJGOPJIXNAMX-INIZCTEOSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260514 399311687 /nfs/dbraw/zinc/31/16/87/399311687.db2.gz UTHJGOPJIXNAMX-INIZCTEOSA-N 2 2 300.362 2.937 20 5 DFBDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080811 399432998 /nfs/dbraw/zinc/43/29/98/399432998.db2.gz FDZAIMTXPYNGBQ-HYVNUMGLSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080811 399433000 /nfs/dbraw/zinc/43/30/00/399433000.db2.gz FDZAIMTXPYNGBQ-HYVNUMGLSA-N 2 2 317.433 2.990 20 5 DFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]CCCCn3cc[nH+]c3)nc2c1 ZINC000602517711 399466637 /nfs/dbraw/zinc/46/66/37/399466637.db2.gz DZGFQRRMZXUZEE-UHFFFAOYSA-N 2 2 315.333 2.503 20 5 DFBDLP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668061 399511022 /nfs/dbraw/zinc/51/10/22/399511022.db2.gz SIDMOAGHQBMQJS-SMDDNHRTSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668061 399511025 /nfs/dbraw/zinc/51/10/25/399511025.db2.gz SIDMOAGHQBMQJS-SMDDNHRTSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668061 399511029 /nfs/dbraw/zinc/51/10/29/399511029.db2.gz SIDMOAGHQBMQJS-SMDDNHRTSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668061 399511032 /nfs/dbraw/zinc/51/10/32/399511032.db2.gz SIDMOAGHQBMQJS-SMDDNHRTSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000119957468 195069838 /nfs/dbraw/zinc/06/98/38/195069838.db2.gz METBXPYQLQSEFP-KFWWJZLASA-N 2 2 321.421 2.745 20 5 DFBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+]C1 ZINC000423190393 296390435 /nfs/dbraw/zinc/39/04/35/296390435.db2.gz NVYJAZURGGEKDZ-STQMWFEESA-N 2 2 309.435 2.807 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292850558 533220864 /nfs/dbraw/zinc/22/08/64/533220864.db2.gz BTNCGJFVYXSRQW-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292850558 533220868 /nfs/dbraw/zinc/22/08/68/533220868.db2.gz BTNCGJFVYXSRQW-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292850558 533220872 /nfs/dbraw/zinc/22/08/72/533220872.db2.gz BTNCGJFVYXSRQW-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292850558 533220878 /nfs/dbraw/zinc/22/08/78/533220878.db2.gz BTNCGJFVYXSRQW-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP Cc1c(C[N@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261807614 146280669 /nfs/dbraw/zinc/28/06/69/146280669.db2.gz RHIFASGQRDLIIN-DLBZAZTESA-N 2 2 311.385 2.830 20 5 DFBDLP Cc1c(C[N@@H+]2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cccc1[N+](=O)[O-] ZINC000261807614 146280671 /nfs/dbraw/zinc/28/06/71/146280671.db2.gz RHIFASGQRDLIIN-DLBZAZTESA-N 2 2 311.385 2.830 20 5 DFBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH3+] ZINC000261982946 146315988 /nfs/dbraw/zinc/31/59/88/146315988.db2.gz JLUBUUWYMMVRBL-IAQYHMDHSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH3+] ZINC000261982946 146315989 /nfs/dbraw/zinc/31/59/89/146315989.db2.gz JLUBUUWYMMVRBL-IAQYHMDHSA-N 2 2 301.346 2.634 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000373774822 150256501 /nfs/dbraw/zinc/25/65/01/150256501.db2.gz YTXQSOXAQQWOAL-ZDUSSCGKSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000373774822 150256504 /nfs/dbraw/zinc/25/65/04/150256504.db2.gz YTXQSOXAQQWOAL-ZDUSSCGKSA-N 2 2 316.361 2.706 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000351738640 286206898 /nfs/dbraw/zinc/20/68/98/286206898.db2.gz XSNXXWVIMNRMLI-UHFFFAOYSA-N 2 2 322.315 2.976 20 5 DFBDLP CC[C@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849911 296670329 /nfs/dbraw/zinc/67/03/29/296670329.db2.gz OGFSLMZYGOZOEJ-ZFWWWQNUSA-N 2 2 300.362 2.847 20 5 DFBDLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000352478742 286384216 /nfs/dbraw/zinc/38/42/16/286384216.db2.gz AAZFJDTVICOHPS-UHFFFAOYSA-N 2 2 312.329 2.878 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860755 426087597 /nfs/dbraw/zinc/08/75/97/426087597.db2.gz LUPMTCNCZAQGDJ-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000075860755 426087601 /nfs/dbraw/zinc/08/76/01/426087601.db2.gz LUPMTCNCZAQGDJ-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000075860755 426087604 /nfs/dbraw/zinc/08/76/04/426087604.db2.gz LUPMTCNCZAQGDJ-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000075860755 426087606 /nfs/dbraw/zinc/08/76/06/426087606.db2.gz LUPMTCNCZAQGDJ-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367586 426098081 /nfs/dbraw/zinc/09/80/81/426098081.db2.gz NGOKILNRHDJJRN-HOCLYGCPSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367586 426098086 /nfs/dbraw/zinc/09/80/86/426098086.db2.gz NGOKILNRHDJJRN-HOCLYGCPSA-N 2 2 321.421 2.665 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835109 426086881 /nfs/dbraw/zinc/08/68/81/426086881.db2.gz UJTBVGCFVUGGIH-MRXNPFEDSA-N 2 2 303.406 2.903 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835109 426086884 /nfs/dbraw/zinc/08/68/84/426086884.db2.gz UJTBVGCFVUGGIH-MRXNPFEDSA-N 2 2 303.406 2.903 20 5 DFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570442 426224616 /nfs/dbraw/zinc/22/46/16/426224616.db2.gz KIDMYYRWWRNCIH-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570442 426224618 /nfs/dbraw/zinc/22/46/18/426224618.db2.gz KIDMYYRWWRNCIH-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570442 426224621 /nfs/dbraw/zinc/22/46/21/426224621.db2.gz KIDMYYRWWRNCIH-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570442 426224623 /nfs/dbraw/zinc/22/46/23/426224623.db2.gz KIDMYYRWWRNCIH-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP Cc1c([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228629 426377109 /nfs/dbraw/zinc/37/71/09/426377109.db2.gz XESQUOYCXARSTK-UKRRQHHQSA-N 2 2 321.421 2.522 20 5 DFBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154520386 426443590 /nfs/dbraw/zinc/44/35/90/426443590.db2.gz LUPQONSVDYBHNA-CVEARBPZSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000154520386 426443592 /nfs/dbraw/zinc/44/35/92/426443592.db2.gz LUPQONSVDYBHNA-CVEARBPZSA-N 2 2 303.406 2.600 20 5 DFBDLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641176 426445536 /nfs/dbraw/zinc/44/55/36/426445536.db2.gz BWPHVXBJYIZXOQ-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641176 426445538 /nfs/dbraw/zinc/44/55/38/426445538.db2.gz BWPHVXBJYIZXOQ-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465552 /nfs/dbraw/zinc/46/55/52/426465552.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 2 2 303.406 2.696 20 5 DFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465556 /nfs/dbraw/zinc/46/55/56/426465556.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 2 2 303.406 2.696 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465558 /nfs/dbraw/zinc/46/55/58/426465558.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 2 2 303.406 2.696 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCc1ccc([N+](=O)[O-])cc1 ZINC000177305566 426465561 /nfs/dbraw/zinc/46/55/61/426465561.db2.gz WVCDARCIGXHWAO-WBVHZDCISA-N 2 2 303.406 2.696 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000267023832 426811750 /nfs/dbraw/zinc/81/17/50/426811750.db2.gz RXWMVZUIVLIVNU-UHFFFAOYSA-N 2 2 304.325 2.768 20 5 DFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351140 427042786 /nfs/dbraw/zinc/04/27/86/427042786.db2.gz WJWUHBPBFIAOBC-AWEZNQCLSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351140 427042793 /nfs/dbraw/zinc/04/27/93/427042793.db2.gz WJWUHBPBFIAOBC-AWEZNQCLSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351140 427042797 /nfs/dbraw/zinc/04/27/97/427042797.db2.gz WJWUHBPBFIAOBC-AWEZNQCLSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351140 427042807 /nfs/dbraw/zinc/04/28/07/427042807.db2.gz WJWUHBPBFIAOBC-AWEZNQCLSA-N 2 2 309.385 2.898 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000178335922 271193479 /nfs/dbraw/zinc/19/34/79/271193479.db2.gz IJZKENAWNPMQOF-CYBMUJFWSA-N 2 2 318.352 2.903 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000178335922 271193481 /nfs/dbraw/zinc/19/34/81/271193481.db2.gz IJZKENAWNPMQOF-CYBMUJFWSA-N 2 2 318.352 2.903 20 5 DFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261650 /nfs/dbraw/zinc/26/16/50/427261650.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 2 2 303.406 2.962 20 5 DFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261659 /nfs/dbraw/zinc/26/16/59/427261659.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 2 2 303.406 2.962 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261667 /nfs/dbraw/zinc/26/16/67/427261667.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 2 2 303.406 2.962 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc([N+](=O)[O-])cc1C ZINC000183391492 427261673 /nfs/dbraw/zinc/26/16/73/427261673.db2.gz NVNXYEQGCANWGK-WBVHZDCISA-N 2 2 303.406 2.962 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613824 427276491 /nfs/dbraw/zinc/27/64/91/427276491.db2.gz RPHWUPZIJDADGO-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613824 427276498 /nfs/dbraw/zinc/27/64/98/427276498.db2.gz RPHWUPZIJDADGO-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613824 427276505 /nfs/dbraw/zinc/27/65/05/427276505.db2.gz RPHWUPZIJDADGO-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613824 427276513 /nfs/dbraw/zinc/27/65/13/427276513.db2.gz RPHWUPZIJDADGO-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC1(C)C[C@H]([NH2+]CCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc21 ZINC000279081446 427553942 /nfs/dbraw/zinc/55/39/42/427553942.db2.gz MOZRXGLJAQAAMJ-HNNXBMFYSA-N 2 2 300.362 2.804 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535956 428139026 /nfs/dbraw/zinc/13/90/26/428139026.db2.gz XRDLEFDXMFRNKM-ZNNBYXKUSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535956 428139032 /nfs/dbraw/zinc/13/90/32/428139032.db2.gz XRDLEFDXMFRNKM-ZNNBYXKUSA-N 2 2 301.390 2.684 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535424 428139822 /nfs/dbraw/zinc/13/98/22/428139822.db2.gz QJHQSBMDEYPSRG-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535424 428139826 /nfs/dbraw/zinc/13/98/26/428139826.db2.gz QJHQSBMDEYPSRG-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535424 428139828 /nfs/dbraw/zinc/13/98/28/428139828.db2.gz QJHQSBMDEYPSRG-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535424 428139831 /nfs/dbraw/zinc/13/98/31/428139831.db2.gz QJHQSBMDEYPSRG-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860050 428247650 /nfs/dbraw/zinc/24/76/50/428247650.db2.gz KLDJKJHDBZZTIP-LLVKDONJSA-N 2 2 306.391 2.547 20 5 DFBDLP C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377860050 428247652 /nfs/dbraw/zinc/24/76/52/428247652.db2.gz KLDJKJHDBZZTIP-LLVKDONJSA-N 2 2 306.391 2.547 20 5 DFBDLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769594 428399259 /nfs/dbraw/zinc/39/92/59/428399259.db2.gz MJYRWZJFVNLAID-ABAIWWIYSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769594 428399265 /nfs/dbraw/zinc/39/92/65/428399265.db2.gz MJYRWZJFVNLAID-ABAIWWIYSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339836 428714007 /nfs/dbraw/zinc/71/40/07/428714007.db2.gz RLSCJIZVQQPVQU-IIAWOOMASA-N 2 2 305.422 2.846 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363661495 428962023 /nfs/dbraw/zinc/96/20/23/428962023.db2.gz RQAJLDAWTYIXLZ-FRFSOERESA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363661495 428962025 /nfs/dbraw/zinc/96/20/25/428962025.db2.gz RQAJLDAWTYIXLZ-FRFSOERESA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363661495 428962028 /nfs/dbraw/zinc/96/20/28/428962028.db2.gz RQAJLDAWTYIXLZ-FRFSOERESA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363661495 428962031 /nfs/dbraw/zinc/96/20/31/428962031.db2.gz RQAJLDAWTYIXLZ-FRFSOERESA-N 2 2 319.380 2.650 20 5 DFBDLP [NH3+]C1CC[NH+](Cc2nc(-c3cccc([N+](=O)[O-])c3)cs2)CC1 ZINC000434658226 429102302 /nfs/dbraw/zinc/10/23/02/429102302.db2.gz BFSRHZNFNAUQQZ-UHFFFAOYSA-N 2 2 318.402 2.641 20 5 DFBDLP C[NH+]1CCC(CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413096598 429137604 /nfs/dbraw/zinc/13/76/04/429137604.db2.gz ALFGMZHVSWUMOP-UHFFFAOYSA-N 2 2 314.389 3.287 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000447603503 297310676 /nfs/dbraw/zinc/31/06/76/297310676.db2.gz XXKDHLKJODZKGB-XJKSGUPXSA-N 2 2 312.373 2.773 20 5 DFBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149594 302041842 /nfs/dbraw/zinc/04/18/42/302041842.db2.gz MTCQAQLQWXIYBM-OAHLLOKOSA-N 2 2 309.797 2.824 20 5 DFBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000563149594 302041844 /nfs/dbraw/zinc/04/18/44/302041844.db2.gz MTCQAQLQWXIYBM-OAHLLOKOSA-N 2 2 309.797 2.824 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155906 302198485 /nfs/dbraw/zinc/19/84/85/302198485.db2.gz GQBHRACIJBNJKV-LBPRGKRZSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155906 302198486 /nfs/dbraw/zinc/19/84/86/302198486.db2.gz GQBHRACIJBNJKV-LBPRGKRZSA-N 2 2 320.780 2.971 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000580465408 323391143 /nfs/dbraw/zinc/39/11/43/323391143.db2.gz HPNJKMSTCCBXFR-UXLLHSPISA-N 2 2 301.390 2.799 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000580465408 323391144 /nfs/dbraw/zinc/39/11/44/323391144.db2.gz HPNJKMSTCCBXFR-UXLLHSPISA-N 2 2 301.390 2.799 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873532 527755777 /nfs/dbraw/zinc/75/57/77/527755777.db2.gz SJDALFMOOGBSNN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873532 527755783 /nfs/dbraw/zinc/75/57/83/527755783.db2.gz SJDALFMOOGBSNN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873532 527755786 /nfs/dbraw/zinc/75/57/86/527755786.db2.gz SJDALFMOOGBSNN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873532 527755788 /nfs/dbraw/zinc/75/57/88/527755788.db2.gz SJDALFMOOGBSNN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592427693 398425475 /nfs/dbraw/zinc/42/54/75/398425475.db2.gz QJDQPXSKQDNMIS-WFASDCNBSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000592427693 398425477 /nfs/dbraw/zinc/42/54/77/398425477.db2.gz QJDQPXSKQDNMIS-WFASDCNBSA-N 2 2 307.394 2.553 20 5 DFBDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459501967 299122396 /nfs/dbraw/zinc/12/23/96/299122396.db2.gz FQJBLZCHZSDNBK-HNNXBMFYSA-N 2 2 314.389 2.750 20 5 DFBDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459501967 299122397 /nfs/dbraw/zinc/12/23/97/299122397.db2.gz FQJBLZCHZSDNBK-HNNXBMFYSA-N 2 2 314.389 2.750 20 5 DFBDLP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414972215 295842799 /nfs/dbraw/zinc/84/27/99/295842799.db2.gz AIIVUQVGEHBQDZ-LLVKDONJSA-N 2 2 319.361 2.690 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281838 398745200 /nfs/dbraw/zinc/74/52/00/398745200.db2.gz OMHWNIOMTHVDHU-OEAJRASXSA-N 2 2 321.396 2.596 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000152649657 283333243 /nfs/dbraw/zinc/33/32/43/283333243.db2.gz GZKGHHLXPJIVTE-GFCCVEGCSA-N 2 2 307.394 2.738 20 5 DFBDLP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008195 398890762 /nfs/dbraw/zinc/89/07/62/398890762.db2.gz BUTWJPOBSRHMLF-CHWSQXEVSA-N 2 2 307.394 2.596 20 5 DFBDLP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008195 398890765 /nfs/dbraw/zinc/89/07/65/398890765.db2.gz BUTWJPOBSRHMLF-CHWSQXEVSA-N 2 2 307.394 2.596 20 5 DFBDLP O=[N+]([O-])c1c(N[C@H]2CCc3c[nH+]cn3C2)ccc2c[nH+]ccc21 ZINC000599083547 398918594 /nfs/dbraw/zinc/91/85/94/398918594.db2.gz ZILTVUVAZFAPTR-LBPRGKRZSA-N 2 2 309.329 2.766 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000595377227 398929404 /nfs/dbraw/zinc/92/94/04/398929404.db2.gz NAZBNBWILCNVRX-GFCCVEGCSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000595377227 398929407 /nfs/dbraw/zinc/92/94/07/398929407.db2.gz NAZBNBWILCNVRX-GFCCVEGCSA-N 2 2 304.325 2.837 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355323 296013340 /nfs/dbraw/zinc/01/33/40/296013340.db2.gz NKQILRRLIQKZKA-GDBMZVCRSA-N 2 2 317.433 2.990 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505193 398951817 /nfs/dbraw/zinc/95/18/17/398951817.db2.gz QNQWXHBJXGDPIB-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505193 398951820 /nfs/dbraw/zinc/95/18/20/398951820.db2.gz QNQWXHBJXGDPIB-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505193 398951824 /nfs/dbraw/zinc/95/18/24/398951824.db2.gz QNQWXHBJXGDPIB-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505193 398951825 /nfs/dbraw/zinc/95/18/25/398951825.db2.gz QNQWXHBJXGDPIB-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)o2)cc1 ZINC000596103456 399174156 /nfs/dbraw/zinc/17/41/56/399174156.db2.gz LCNPQVNLOPDGTI-UHFFFAOYSA-N 2 2 313.357 2.696 20 5 DFBDLP CC(C)[NH+]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601102798 399227738 /nfs/dbraw/zinc/22/77/38/399227738.db2.gz FKCPNZVUBVBPHV-UHFFFAOYSA-N 2 2 300.362 2.673 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000601134850 399237540 /nfs/dbraw/zinc/23/75/40/399237540.db2.gz IQQPGRNKCJOBTP-GFCCVEGCSA-N 2 2 323.356 2.870 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615837146 399387902 /nfs/dbraw/zinc/38/79/02/399387902.db2.gz OJWOFVRVUFMSIG-JVHOSPSUSA-N 2 2 303.406 2.928 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C/C(C)=C/c2cccc([N+](=O)[O-])c2)C1 ZINC000615837146 399387908 /nfs/dbraw/zinc/38/79/08/399387908.db2.gz OJWOFVRVUFMSIG-JVHOSPSUSA-N 2 2 303.406 2.928 20 5 DFBDLP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602524124 399467737 /nfs/dbraw/zinc/46/77/37/399467737.db2.gz BLKWGEFGJNHDDH-LBPRGKRZSA-N 2 2 318.377 2.558 20 5 DFBDLP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602524124 399467738 /nfs/dbraw/zinc/46/77/38/399467738.db2.gz BLKWGEFGJNHDDH-LBPRGKRZSA-N 2 2 318.377 2.558 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000611515536 399485954 /nfs/dbraw/zinc/48/59/54/399485954.db2.gz CWQVYUOGDKTJFA-CQSZACIVSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000611515536 399485956 /nfs/dbraw/zinc/48/59/56/399485956.db2.gz CWQVYUOGDKTJFA-CQSZACIVSA-N 2 2 316.361 2.637 20 5 DFBDLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000611521666 399487077 /nfs/dbraw/zinc/48/70/77/399487077.db2.gz WUGCVZDNJVIHEU-MAJSYBNXSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000611521666 399487080 /nfs/dbraw/zinc/48/70/80/399487080.db2.gz WUGCVZDNJVIHEU-MAJSYBNXSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000611521666 399487085 /nfs/dbraw/zinc/48/70/85/399487085.db2.gz WUGCVZDNJVIHEU-MAJSYBNXSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000611521666 399487087 /nfs/dbraw/zinc/48/70/87/399487087.db2.gz WUGCVZDNJVIHEU-MAJSYBNXSA-N 2 2 301.390 2.634 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347017326 285005173 /nfs/dbraw/zinc/00/51/73/285005173.db2.gz DJYPIHWGYADTBM-CHWSQXEVSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000347017326 285005175 /nfs/dbraw/zinc/00/51/75/285005175.db2.gz DJYPIHWGYADTBM-CHWSQXEVSA-N 2 2 307.394 2.553 20 5 DFBDLP CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000422948245 296359597 /nfs/dbraw/zinc/35/95/97/296359597.db2.gz ROIHLFRVMGSWQI-KBPBESRZSA-N 2 2 307.394 2.614 20 5 DFBDLP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1cccc([N+](=O)[O-])c1 ZINC000423193370 296390721 /nfs/dbraw/zinc/39/07/21/296390721.db2.gz XHENKHPOPOBNIC-AWEZNQCLSA-N 2 2 314.389 2.820 20 5 DFBDLP C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156530867 197120560 /nfs/dbraw/zinc/12/05/60/197120560.db2.gz ZSGMZDGXOXYUKO-YOEHRIQHSA-N 2 2 314.389 2.917 20 5 DFBDLP C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156530867 197120562 /nfs/dbraw/zinc/12/05/62/197120562.db2.gz ZSGMZDGXOXYUKO-YOEHRIQHSA-N 2 2 314.389 2.917 20 5 DFBDLP CCC[C@@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437924 296416732 /nfs/dbraw/zinc/41/67/32/296416732.db2.gz UPACERXIWOKQBA-SJORKVTESA-N 2 2 321.421 2.794 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288983 286025043 /nfs/dbraw/zinc/02/50/43/286025043.db2.gz PVSRIDYFDQRNRU-SMDDNHRTSA-N 2 2 311.813 2.721 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288983 286025044 /nfs/dbraw/zinc/02/50/44/286025044.db2.gz PVSRIDYFDQRNRU-SMDDNHRTSA-N 2 2 311.813 2.721 20 5 DFBDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403718 150040881 /nfs/dbraw/zinc/04/08/81/150040881.db2.gz WAVCQYKZHPMQPH-IKGGRYGDSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403718 150040883 /nfs/dbraw/zinc/04/08/83/150040883.db2.gz WAVCQYKZHPMQPH-IKGGRYGDSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403718 150040885 /nfs/dbraw/zinc/04/08/85/150040885.db2.gz WAVCQYKZHPMQPH-IKGGRYGDSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403718 150040887 /nfs/dbraw/zinc/04/08/87/150040887.db2.gz WAVCQYKZHPMQPH-IKGGRYGDSA-N 2 2 315.417 2.819 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351862506 286234002 /nfs/dbraw/zinc/23/40/02/286234002.db2.gz PRHJYUWBTRMJSP-OLZOCXBDSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351862506 286234004 /nfs/dbraw/zinc/23/40/04/286234004.db2.gz PRHJYUWBTRMJSP-OLZOCXBDSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408897 158173893 /nfs/dbraw/zinc/17/38/93/158173893.db2.gz FNOQKOYJBWRQAZ-RHSMWYFYSA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408897 158173895 /nfs/dbraw/zinc/17/38/95/158173895.db2.gz FNOQKOYJBWRQAZ-RHSMWYFYSA-N 2 2 321.421 2.602 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000111244057 426040558 /nfs/dbraw/zinc/04/05/58/426040558.db2.gz BKWFGFSDFCVTHL-UHFFFAOYSA-N 2 2 304.325 2.768 20 5 DFBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163368919 426097319 /nfs/dbraw/zinc/09/73/19/426097319.db2.gz IILNBVHTTGZNDL-CABCVRRESA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163368919 426097322 /nfs/dbraw/zinc/09/73/22/426097322.db2.gz IILNBVHTTGZNDL-CABCVRRESA-N 2 2 321.421 2.665 20 5 DFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccccc1[N+](=O)[O-] ZINC000177349168 426471172 /nfs/dbraw/zinc/47/11/72/426471172.db2.gz OYSIPZWSLJIOJF-CABCVRRESA-N 2 2 319.405 2.532 20 5 DFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccccc1[N+](=O)[O-] ZINC000177349168 426471175 /nfs/dbraw/zinc/47/11/75/426471175.db2.gz OYSIPZWSLJIOJF-CABCVRRESA-N 2 2 319.405 2.532 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000177349168 426471178 /nfs/dbraw/zinc/47/11/78/426471178.db2.gz OYSIPZWSLJIOJF-CABCVRRESA-N 2 2 319.405 2.532 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000177349168 426471181 /nfs/dbraw/zinc/47/11/81/426471181.db2.gz OYSIPZWSLJIOJF-CABCVRRESA-N 2 2 319.405 2.532 20 5 DFBDLP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1[N+](=O)[O-] ZINC000264367315 426544958 /nfs/dbraw/zinc/54/49/58/426544958.db2.gz UGCCJNLRJTYQSC-UHFFFAOYSA-N 2 2 319.405 2.710 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000266720481 426766756 /nfs/dbraw/zinc/76/67/56/426766756.db2.gz HJDCBVKGRRTJPO-UHFFFAOYSA-N 2 2 316.361 2.576 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332401 271193138 /nfs/dbraw/zinc/19/31/38/271193138.db2.gz VLAOKZRPOUUYDS-OAHLLOKOSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332401 271193142 /nfs/dbraw/zinc/19/31/42/271193142.db2.gz VLAOKZRPOUUYDS-OAHLLOKOSA-N 2 2 300.362 2.764 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330671059 427286856 /nfs/dbraw/zinc/28/68/56/427286856.db2.gz MJYOJMIOWKQFMH-OCCSQVGLSA-N 2 2 307.394 2.566 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330671059 427286862 /nfs/dbraw/zinc/28/68/62/427286862.db2.gz MJYOJMIOWKQFMH-OCCSQVGLSA-N 2 2 307.394 2.566 20 5 DFBDLP CC[NH+](CC)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000338911108 427552813 /nfs/dbraw/zinc/55/28/13/427552813.db2.gz IAFRUQIETSVVRO-UHFFFAOYSA-N 2 2 321.421 2.854 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000344820019 272375011 /nfs/dbraw/zinc/37/50/11/272375011.db2.gz WJLGMZFBULLMJZ-BMQCOBNYSA-N 2 2 312.373 2.799 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535353 428140277 /nfs/dbraw/zinc/14/02/77/428140277.db2.gz POTOWVUUQKCVDA-KRWDZBQOSA-N 2 2 319.405 2.569 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535353 428140283 /nfs/dbraw/zinc/14/02/83/428140283.db2.gz POTOWVUUQKCVDA-KRWDZBQOSA-N 2 2 319.405 2.569 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540526 428141085 /nfs/dbraw/zinc/14/10/85/428141085.db2.gz MFVWGASVULMEBV-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540526 428141091 /nfs/dbraw/zinc/14/10/91/428141091.db2.gz MFVWGASVULMEBV-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556397 428148829 /nfs/dbraw/zinc/14/88/29/428148829.db2.gz ZHUCTXHAVVCEAJ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556397 428148833 /nfs/dbraw/zinc/14/88/33/428148833.db2.gz ZHUCTXHAVVCEAJ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556397 428148836 /nfs/dbraw/zinc/14/88/36/428148836.db2.gz ZHUCTXHAVVCEAJ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556397 428148839 /nfs/dbraw/zinc/14/88/39/428148839.db2.gz ZHUCTXHAVVCEAJ-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000352741250 428229639 /nfs/dbraw/zinc/22/96/39/428229639.db2.gz DMOITNXOAYEVHE-LLVKDONJSA-N 2 2 320.418 2.964 20 5 DFBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414785928 428409307 /nfs/dbraw/zinc/40/93/07/428409307.db2.gz AEGZXRYLRWSDDT-OAHLLOKOSA-N 2 2 303.362 2.928 20 5 DFBDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347093034 428442287 /nfs/dbraw/zinc/44/22/87/428442287.db2.gz GOEFKTINBCNDBA-AWEZNQCLSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347093034 428442294 /nfs/dbraw/zinc/44/22/94/428442294.db2.gz GOEFKTINBCNDBA-AWEZNQCLSA-N 2 2 301.346 2.778 20 5 DFBDLP Cc1ccc(C[NH+]2CCC([NH2+]CC3CC3)CC2)cc1[N+](=O)[O-] ZINC000347098482 428443769 /nfs/dbraw/zinc/44/37/69/428443769.db2.gz IUBHXWWBJGJFFU-UHFFFAOYSA-N 2 2 303.406 2.867 20 5 DFBDLP CCC([NH3+])(CC)C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000414810558 428419744 /nfs/dbraw/zinc/41/97/44/428419744.db2.gz XTKFAVOONCIZBT-UHFFFAOYSA-N 2 2 317.336 2.803 20 5 DFBDLP COC[C@@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414948820 428469944 /nfs/dbraw/zinc/46/99/44/428469944.db2.gz YFDLKSMWPKNPCP-KRWDZBQOSA-N 2 2 321.421 2.576 20 5 DFBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024157 428489911 /nfs/dbraw/zinc/48/99/11/428489911.db2.gz YCUGXTPVTNEKQC-QWRGUYRKSA-N 2 2 319.361 2.689 20 5 DFBDLP Cc1cc(N2CCn3cc[nH+]c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360923377 428494188 /nfs/dbraw/zinc/49/41/88/428494188.db2.gz AFLGHOGJOWJEGV-UHFFFAOYSA-N 2 2 309.329 2.668 20 5 DFBDLP Cc1cc(NCCNc2cccc[nH+]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000360948090 428504072 /nfs/dbraw/zinc/50/40/72/428504072.db2.gz ZMFGIBYITZHZPW-UHFFFAOYSA-N 2 2 323.356 2.792 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000374774122 428748026 /nfs/dbraw/zinc/74/80/26/428748026.db2.gz AHPSXOSUUFPBCI-IJEWVQPXSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000374774122 428748027 /nfs/dbraw/zinc/74/80/27/428748027.db2.gz AHPSXOSUUFPBCI-IJEWVQPXSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000374774122 428748033 /nfs/dbraw/zinc/74/80/33/428748033.db2.gz AHPSXOSUUFPBCI-IJEWVQPXSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1F ZINC000374774122 428748039 /nfs/dbraw/zinc/74/80/39/428748039.db2.gz AHPSXOSUUFPBCI-IJEWVQPXSA-N 2 2 319.380 2.650 20 5 DFBDLP C[C@@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154763 429137360 /nfs/dbraw/zinc/13/73/60/429137360.db2.gz HYAJRJDXPSSBAJ-RNCFNFMXSA-N 2 2 317.311 2.653 20 5 DFBDLP C[C@@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154763 429137365 /nfs/dbraw/zinc/13/73/65/429137365.db2.gz HYAJRJDXPSSBAJ-RNCFNFMXSA-N 2 2 317.311 2.653 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449192320 429354025 /nfs/dbraw/zinc/35/40/25/429354025.db2.gz UMBVRLJGAPRFEI-NFAWXSAZSA-N 2 2 303.406 2.741 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449192320 429354027 /nfs/dbraw/zinc/35/40/27/429354027.db2.gz UMBVRLJGAPRFEI-NFAWXSAZSA-N 2 2 303.406 2.741 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366618324 429487716 /nfs/dbraw/zinc/48/77/16/429487716.db2.gz DTPGBMMLNUDJSN-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366618324 429487719 /nfs/dbraw/zinc/48/77/19/429487719.db2.gz DTPGBMMLNUDJSN-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000366618324 429487723 /nfs/dbraw/zinc/48/77/23/429487723.db2.gz DTPGBMMLNUDJSN-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000366618324 429487726 /nfs/dbraw/zinc/48/77/26/429487726.db2.gz DTPGBMMLNUDJSN-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000430216309 429663753 /nfs/dbraw/zinc/66/37/53/429663753.db2.gz FDSUEPAJUBDWDY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000430216309 429663757 /nfs/dbraw/zinc/66/37/57/429663757.db2.gz FDSUEPAJUBDWDY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000430216309 429663761 /nfs/dbraw/zinc/66/37/61/429663761.db2.gz FDSUEPAJUBDWDY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000430216309 429663766 /nfs/dbraw/zinc/66/37/66/429663766.db2.gz FDSUEPAJUBDWDY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430240685 429665128 /nfs/dbraw/zinc/66/51/28/429665128.db2.gz DYPHPUJWEFXLKT-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430240685 429665131 /nfs/dbraw/zinc/66/51/31/429665131.db2.gz DYPHPUJWEFXLKT-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000526053225 429697921 /nfs/dbraw/zinc/69/79/21/429697921.db2.gz ZGLIZODSIHXVJA-GWQWUEFDSA-N 2 2 303.406 2.930 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000526053225 429697924 /nfs/dbraw/zinc/69/79/24/429697924.db2.gz ZGLIZODSIHXVJA-GWQWUEFDSA-N 2 2 303.406 2.930 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000369342431 429925974 /nfs/dbraw/zinc/92/59/74/429925974.db2.gz INUQURQBZZUIEE-UHFFFAOYSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000588549026 430483715 /nfs/dbraw/zinc/48/37/15/430483715.db2.gz SQHRINRLFCHJNB-QQNRWZHASA-N 2 2 312.373 2.969 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000588549026 430483717 /nfs/dbraw/zinc/48/37/17/430483717.db2.gz SQHRINRLFCHJNB-QQNRWZHASA-N 2 2 312.373 2.969 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571326703 430621049 /nfs/dbraw/zinc/62/10/49/430621049.db2.gz KCKBSYHPMLCPLP-SVEBXFOSSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571326703 430621050 /nfs/dbraw/zinc/62/10/50/430621050.db2.gz KCKBSYHPMLCPLP-SVEBXFOSSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363413677 289090631 /nfs/dbraw/zinc/09/06/31/289090631.db2.gz FZJUQAVTFYPEEK-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363413677 289090634 /nfs/dbraw/zinc/09/06/34/289090634.db2.gz FZJUQAVTFYPEEK-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363413677 289090637 /nfs/dbraw/zinc/09/06/37/289090637.db2.gz FZJUQAVTFYPEEK-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000363413677 289090641 /nfs/dbraw/zinc/09/06/41/289090641.db2.gz FZJUQAVTFYPEEK-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984758 301123829 /nfs/dbraw/zinc/12/38/29/301123829.db2.gz ZSMMQVCFUTZEEL-CABCVRRESA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984758 301123832 /nfs/dbraw/zinc/12/38/32/301123832.db2.gz ZSMMQVCFUTZEEL-CABCVRRESA-N 2 2 305.422 2.847 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649836 527467883 /nfs/dbraw/zinc/46/78/83/527467883.db2.gz PSUUXTNEEALTDE-LBPRGKRZSA-N 2 2 318.352 2.847 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649836 527467886 /nfs/dbraw/zinc/46/78/86/527467886.db2.gz PSUUXTNEEALTDE-LBPRGKRZSA-N 2 2 318.352 2.847 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592427692 398425501 /nfs/dbraw/zinc/42/55/01/398425501.db2.gz QJDQPXSKQDNMIS-SWLSCSKDSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000592427692 398425503 /nfs/dbraw/zinc/42/55/03/398425503.db2.gz QJDQPXSKQDNMIS-SWLSCSKDSA-N 2 2 307.394 2.553 20 5 DFBDLP CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000592487974 398432718 /nfs/dbraw/zinc/43/27/18/398432718.db2.gz DUOPLAXRFVJYBH-BBRMVZONSA-N 2 2 321.421 2.941 20 5 DFBDLP CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000592487974 398432719 /nfs/dbraw/zinc/43/27/19/398432719.db2.gz DUOPLAXRFVJYBH-BBRMVZONSA-N 2 2 321.421 2.941 20 5 DFBDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000414120134 295769221 /nfs/dbraw/zinc/76/92/21/295769221.db2.gz ASXSQZRPYZBRKQ-MRXNPFEDSA-N 2 2 314.389 2.883 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000152590481 186087762 /nfs/dbraw/zinc/08/77/62/186087762.db2.gz JJZDPNAFSRWYEU-GFCCVEGCSA-N 2 2 304.350 2.541 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)o2)c1 ZINC000414822002 295822065 /nfs/dbraw/zinc/82/20/65/295822065.db2.gz DFZJQHMDCHAWRX-CYBMUJFWSA-N 2 2 301.346 2.696 20 5 DFBDLP [NH3+]CCC[N@@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000593727533 398678083 /nfs/dbraw/zinc/67/80/83/398678083.db2.gz OZXKXDWTMVINKU-UHFFFAOYSA-N 2 2 307.394 2.641 20 5 DFBDLP [NH3+]CCC[N@H+](Cc1cc(O)ccc1[N+](=O)[O-])CC1CCCC1 ZINC000593727533 398678085 /nfs/dbraw/zinc/67/80/85/398678085.db2.gz OZXKXDWTMVINKU-UHFFFAOYSA-N 2 2 307.394 2.641 20 5 DFBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024158 295848167 /nfs/dbraw/zinc/84/81/67/295848167.db2.gz YCUGXTPVTNEKQC-WDEREUQCSA-N 2 2 319.361 2.689 20 5 DFBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000594495860 398809651 /nfs/dbraw/zinc/80/96/51/398809651.db2.gz DEHFAVMHBJXGMJ-WQGACYEGSA-N 2 2 301.390 2.797 20 5 DFBDLP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000594495860 398809652 /nfs/dbraw/zinc/80/96/52/398809652.db2.gz DEHFAVMHBJXGMJ-WQGACYEGSA-N 2 2 301.390 2.797 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000152649759 283333143 /nfs/dbraw/zinc/33/31/43/283333143.db2.gz GZKGHHLXPJIVTE-LBPRGKRZSA-N 2 2 307.394 2.738 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000595005572 398890058 /nfs/dbraw/zinc/89/00/58/398890058.db2.gz ASQNVXFUPRCARC-RYUDHWBXSA-N 2 2 304.350 2.539 20 5 DFBDLP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008196 398890716 /nfs/dbraw/zinc/89/07/16/398890716.db2.gz BUTWJPOBSRHMLF-OLZOCXBDSA-N 2 2 307.394 2.596 20 5 DFBDLP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008196 398890717 /nfs/dbraw/zinc/89/07/17/398890717.db2.gz BUTWJPOBSRHMLF-OLZOCXBDSA-N 2 2 307.394 2.596 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595051860 398898139 /nfs/dbraw/zinc/89/81/39/398898139.db2.gz PDHHSJYUXWDNJY-RLAWYHOSSA-N 2 2 319.405 2.879 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595051860 398898143 /nfs/dbraw/zinc/89/81/43/398898143.db2.gz PDHHSJYUXWDNJY-RLAWYHOSSA-N 2 2 319.405 2.879 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000595053404 398898049 /nfs/dbraw/zinc/89/80/49/398898049.db2.gz YAKXZIKPKFLXQO-GHMZBOCLSA-N 2 2 316.361 2.535 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000595053404 398898053 /nfs/dbraw/zinc/89/80/53/398898053.db2.gz YAKXZIKPKFLXQO-GHMZBOCLSA-N 2 2 316.361 2.535 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1)CCCC2 ZINC000417309961 296008853 /nfs/dbraw/zinc/00/88/53/296008853.db2.gz GQOJMNSQYJAQFO-INIZCTEOSA-N 2 2 300.362 2.849 20 5 DFBDLP Cc1ccncc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000340109072 284152346 /nfs/dbraw/zinc/15/23/46/284152346.db2.gz NQFUHNNLPCFEEB-UHFFFAOYSA-N 2 2 312.373 2.620 20 5 DFBDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000340109072 284152348 /nfs/dbraw/zinc/15/23/48/284152348.db2.gz NQFUHNNLPCFEEB-UHFFFAOYSA-N 2 2 312.373 2.620 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000420361353 296179931 /nfs/dbraw/zinc/17/99/31/296179931.db2.gz MDKOLCKJIBOCCI-MRXNPFEDSA-N 2 2 321.421 2.860 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260230 399310398 /nfs/dbraw/zinc/31/03/98/399310398.db2.gz HTVYSDKCCKOZCE-KRWDZBQOSA-N 2 2 314.389 2.979 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260230 399310400 /nfs/dbraw/zinc/31/04/00/399310400.db2.gz HTVYSDKCCKOZCE-KRWDZBQOSA-N 2 2 314.389 2.979 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609258488 399311040 /nfs/dbraw/zinc/31/10/40/399311040.db2.gz ZGLFVNSDHVYVSR-CQSZACIVSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609258488 399311042 /nfs/dbraw/zinc/31/10/42/399311042.db2.gz ZGLFVNSDHVYVSR-CQSZACIVSA-N 2 2 316.361 2.637 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609260478 399311662 /nfs/dbraw/zinc/31/16/62/399311662.db2.gz RDCXCYDHXXCQKN-INIZCTEOSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609260478 399311663 /nfs/dbraw/zinc/31/16/63/399311663.db2.gz RDCXCYDHXXCQKN-INIZCTEOSA-N 2 2 300.362 2.937 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422640048 296317587 /nfs/dbraw/zinc/31/75/87/296317587.db2.gz URFORXBKNJLUGB-UHFFFAOYSA-N 2 2 319.405 2.710 20 5 DFBDLP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668056 399511311 /nfs/dbraw/zinc/51/13/11/399511311.db2.gz SIDMOAGHQBMQJS-FZMZJTMJSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668056 399511314 /nfs/dbraw/zinc/51/13/14/399511314.db2.gz SIDMOAGHQBMQJS-FZMZJTMJSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668056 399511318 /nfs/dbraw/zinc/51/13/18/399511318.db2.gz SIDMOAGHQBMQJS-FZMZJTMJSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668056 399511320 /nfs/dbraw/zinc/51/13/20/399511320.db2.gz SIDMOAGHQBMQJS-FZMZJTMJSA-N 2 2 318.377 2.508 20 5 DFBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271625556 209071925 /nfs/dbraw/zinc/07/19/25/209071925.db2.gz FYBWZCGZIHSYKE-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000271625556 209071926 /nfs/dbraw/zinc/07/19/26/209071926.db2.gz FYBWZCGZIHSYKE-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000245926194 146111078 /nfs/dbraw/zinc/11/10/78/146111078.db2.gz IJLRDQSCOIQCED-STQMWFEESA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000245926194 146111081 /nfs/dbraw/zinc/11/10/81/146111081.db2.gz IJLRDQSCOIQCED-STQMWFEESA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000245926191 146111456 /nfs/dbraw/zinc/11/14/56/146111456.db2.gz IJLRDQSCOIQCED-OLZOCXBDSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1 ZINC000245926191 146111459 /nfs/dbraw/zinc/11/14/59/146111459.db2.gz IJLRDQSCOIQCED-OLZOCXBDSA-N 2 2 309.797 2.965 20 5 DFBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1[NH3+] ZINC000261942958 146307001 /nfs/dbraw/zinc/30/70/01/146307001.db2.gz DXVOMLCOZMOZEB-FZMZJTMJSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1[NH3+] ZINC000261942958 146307004 /nfs/dbraw/zinc/30/70/04/146307004.db2.gz DXVOMLCOZMOZEB-FZMZJTMJSA-N 2 2 301.346 2.634 20 5 DFBDLP Cc1ccc(C[NH2+]C[C@@H]2CCCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000374148431 150312770 /nfs/dbraw/zinc/31/27/70/150312770.db2.gz YECJKPCQXHITCO-AWEZNQCLSA-N 2 2 300.362 2.767 20 5 DFBDLP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000352417859 286368387 /nfs/dbraw/zinc/36/83/87/286368387.db2.gz VLFANHBKMUGOAB-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)ccc1[N+](=O)[O-] ZINC000352417859 286368390 /nfs/dbraw/zinc/36/83/90/286368390.db2.gz VLFANHBKMUGOAB-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076003441 426093803 /nfs/dbraw/zinc/09/38/03/426093803.db2.gz QCEKUJUWVGKRPH-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076003441 426093806 /nfs/dbraw/zinc/09/38/06/426093806.db2.gz QCEKUJUWVGKRPH-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131686100 426166410 /nfs/dbraw/zinc/16/64/10/426166410.db2.gz UXGWTIWKQVGKSS-OAHLLOKOSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131686100 426166414 /nfs/dbraw/zinc/16/64/14/426166414.db2.gz UXGWTIWKQVGKSS-OAHLLOKOSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000084439837 426237688 /nfs/dbraw/zinc/23/76/88/426237688.db2.gz DDZCTYKBQDCHKC-LLVKDONJSA-N 2 2 309.797 2.822 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000084439837 426237689 /nfs/dbraw/zinc/23/76/89/426237689.db2.gz DDZCTYKBQDCHKC-LLVKDONJSA-N 2 2 309.797 2.822 20 5 DFBDLP Cc1c([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228992 426377127 /nfs/dbraw/zinc/37/71/27/426377127.db2.gz XESQUOYCXARSTK-ZFWWWQNUSA-N 2 2 321.421 2.522 20 5 DFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469051 /nfs/dbraw/zinc/46/90/51/426469051.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469054 /nfs/dbraw/zinc/46/90/54/426469054.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469057 /nfs/dbraw/zinc/46/90/57/426469057.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000177330182 426469061 /nfs/dbraw/zinc/46/90/61/426469061.db2.gz BVKXNJDEHAVPOB-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245478576 426742608 /nfs/dbraw/zinc/74/26/08/426742608.db2.gz VPGBINCBNHFROG-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245478576 426742614 /nfs/dbraw/zinc/74/26/14/426742614.db2.gz VPGBINCBNHFROG-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245478576 426742619 /nfs/dbraw/zinc/74/26/19/426742619.db2.gz VPGBINCBNHFROG-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245478576 426742621 /nfs/dbraw/zinc/74/26/21/426742621.db2.gz VPGBINCBNHFROG-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCC[NH+]1CCCC1 ZINC000337239506 427821221 /nfs/dbraw/zinc/82/12/21/427821221.db2.gz ZRGGREPDCLUAFZ-UHFFFAOYSA-N 2 2 307.394 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337239506 427821224 /nfs/dbraw/zinc/82/12/24/427821224.db2.gz ZRGGREPDCLUAFZ-UHFFFAOYSA-N 2 2 307.394 2.521 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000369913143 428088885 /nfs/dbraw/zinc/08/88/85/428088885.db2.gz QBVXFZQDWBCPKH-NSHDSACASA-N 2 2 306.753 2.549 20 5 DFBDLP COc1cc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000352535074 428138047 /nfs/dbraw/zinc/13/80/47/428138047.db2.gz MCQOJWOSYIAZKT-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353947 428268752 /nfs/dbraw/zinc/26/87/52/428268752.db2.gz ZRFZQDOAXXOVKL-HOTGVXAUSA-N 2 2 303.406 2.600 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353947 428268763 /nfs/dbraw/zinc/26/87/63/428268763.db2.gz ZRFZQDOAXXOVKL-HOTGVXAUSA-N 2 2 303.406 2.600 20 5 DFBDLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765946 428398251 /nfs/dbraw/zinc/39/82/51/428398251.db2.gz GSABIACGGYCOMN-RISCZKNCSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765946 428398255 /nfs/dbraw/zinc/39/82/55/428398255.db2.gz GSABIACGGYCOMN-RISCZKNCSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773247 428399634 /nfs/dbraw/zinc/39/96/34/428399634.db2.gz SIJQCOTZVUCVAH-IAQYHMDHSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773247 428399642 /nfs/dbraw/zinc/39/96/42/428399642.db2.gz SIJQCOTZVUCVAH-IAQYHMDHSA-N 2 2 301.346 2.776 20 5 DFBDLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414895923 428449896 /nfs/dbraw/zinc/44/98/96/428449896.db2.gz NWBJSUFNMOSGDZ-HNNXBMFYSA-N 2 2 301.346 2.682 20 5 DFBDLP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059794 428505943 /nfs/dbraw/zinc/50/59/43/428505943.db2.gz XMYVDTVCDZRANZ-LSDHHAIUSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059794 428505950 /nfs/dbraw/zinc/50/59/50/428505950.db2.gz XMYVDTVCDZRANZ-LSDHHAIUSA-N 2 2 319.405 2.567 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365400766 429312989 /nfs/dbraw/zinc/31/29/89/429312989.db2.gz AUKXJFRQSCMGFC-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365400766 429312991 /nfs/dbraw/zinc/31/29/91/429312991.db2.gz AUKXJFRQSCMGFC-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccc([N+](=O)[O-])cc1 ZINC000449347766 429394564 /nfs/dbraw/zinc/39/45/64/429394564.db2.gz IVGBOKWEQTWODK-NSHDSACASA-N 2 2 320.418 2.964 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000449166588 429349477 /nfs/dbraw/zinc/34/94/77/429349477.db2.gz DXFNBJBXOWFNKK-UKRRQHHQSA-N 2 2 314.389 2.890 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000430241211 429666450 /nfs/dbraw/zinc/66/64/50/429666450.db2.gz GEARFNLHGPAONY-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000430241211 429666452 /nfs/dbraw/zinc/66/64/52/429666452.db2.gz GEARFNLHGPAONY-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000430241211 429666456 /nfs/dbraw/zinc/66/64/56/429666456.db2.gz GEARFNLHGPAONY-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000430241211 429666459 /nfs/dbraw/zinc/66/64/59/429666459.db2.gz GEARFNLHGPAONY-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243988 429667550 /nfs/dbraw/zinc/66/75/50/429667550.db2.gz NGPZXLITABSPLM-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243988 429667554 /nfs/dbraw/zinc/66/75/54/429667554.db2.gz NGPZXLITABSPLM-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243988 429667555 /nfs/dbraw/zinc/66/75/55/429667555.db2.gz NGPZXLITABSPLM-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243988 429667559 /nfs/dbraw/zinc/66/75/59/429667559.db2.gz NGPZXLITABSPLM-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243989 429668070 /nfs/dbraw/zinc/66/80/70/429668070.db2.gz NGPZXLITABSPLM-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243989 429668074 /nfs/dbraw/zinc/66/80/74/429668074.db2.gz NGPZXLITABSPLM-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243989 429668079 /nfs/dbraw/zinc/66/80/79/429668079.db2.gz NGPZXLITABSPLM-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@@H]1C ZINC000430243989 429668082 /nfs/dbraw/zinc/66/80/82/429668082.db2.gz NGPZXLITABSPLM-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701065 429702442 /nfs/dbraw/zinc/70/24/42/429702442.db2.gz KBAHEEIWYDSVCI-LLVKDONJSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701065 429702445 /nfs/dbraw/zinc/70/24/45/429702445.db2.gz KBAHEEIWYDSVCI-LLVKDONJSA-N 2 2 320.780 2.971 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568643343 430377307 /nfs/dbraw/zinc/37/73/07/430377307.db2.gz HXPIZRPLOMMZBM-OCCSQVGLSA-N 2 2 307.394 2.694 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000568643343 430377313 /nfs/dbraw/zinc/37/73/13/430377313.db2.gz HXPIZRPLOMMZBM-OCCSQVGLSA-N 2 2 307.394 2.694 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571326705 430620631 /nfs/dbraw/zinc/62/06/31/430620631.db2.gz KCKBSYHPMLCPLP-ZVVFDCPKSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571326705 430620635 /nfs/dbraw/zinc/62/06/35/430620635.db2.gz KCKBSYHPMLCPLP-ZVVFDCPKSA-N 2 2 301.390 2.684 20 5 DFBDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154849939 295307772 /nfs/dbraw/zinc/30/77/72/295307772.db2.gz WLKSSWVLNDKMKP-AWEZNQCLSA-N 2 2 321.421 2.665 20 5 DFBDLP C[C@H]1CC[N@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983650 301123201 /nfs/dbraw/zinc/12/32/01/301123201.db2.gz KDQUUMRHZMRHOM-YOEHRIQHSA-N 2 2 317.433 2.847 20 5 DFBDLP C[C@H]1CC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983650 301123205 /nfs/dbraw/zinc/12/32/05/301123205.db2.gz KDQUUMRHZMRHOM-YOEHRIQHSA-N 2 2 317.433 2.847 20 5 DFBDLP Cn1c[nH+]cc1CC[N@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459358611 299087954 /nfs/dbraw/zinc/08/79/54/299087954.db2.gz BOMOMZUYHGAOTF-UHFFFAOYSA-N 2 2 300.362 2.535 20 5 DFBDLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000459358611 299087955 /nfs/dbraw/zinc/08/79/55/299087955.db2.gz BOMOMZUYHGAOTF-UHFFFAOYSA-N 2 2 300.362 2.535 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584830451 398418525 /nfs/dbraw/zinc/41/85/25/398418525.db2.gz RLPJSBVPEWJNSY-IRXDYDNUSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584830451 398418526 /nfs/dbraw/zinc/41/85/26/398418526.db2.gz RLPJSBVPEWJNSY-IRXDYDNUSA-N 2 2 319.405 2.580 20 5 DFBDLP C[NH2+]CC[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414823598 295822262 /nfs/dbraw/zinc/82/22/62/295822262.db2.gz IKJFQDGNZMHCMZ-UHFFFAOYSA-N 2 2 314.389 2.672 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH+]c[nH]3)CC2)c(F)c1 ZINC000332481042 235017373 /nfs/dbraw/zinc/01/73/73/235017373.db2.gz YLNSFCDBGBHVCP-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c(F)c1 ZINC000332481042 235017378 /nfs/dbraw/zinc/01/73/78/235017378.db2.gz YLNSFCDBGBHVCP-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902522 213163611 /nfs/dbraw/zinc/16/36/11/213163611.db2.gz MAGTUFKWVAETPQ-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902522 213163614 /nfs/dbraw/zinc/16/36/14/213163614.db2.gz MAGTUFKWVAETPQ-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902522 213163617 /nfs/dbraw/zinc/16/36/17/213163617.db2.gz MAGTUFKWVAETPQ-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902522 213163620 /nfs/dbraw/zinc/16/36/20/213163620.db2.gz MAGTUFKWVAETPQ-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000594495858 398809351 /nfs/dbraw/zinc/80/93/51/398809351.db2.gz DEHFAVMHBJXGMJ-HSMVNMDESA-N 2 2 301.390 2.797 20 5 DFBDLP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000594495858 398809354 /nfs/dbraw/zinc/80/93/54/398809354.db2.gz DEHFAVMHBJXGMJ-HSMVNMDESA-N 2 2 301.390 2.797 20 5 DFBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000594495856 398809436 /nfs/dbraw/zinc/80/94/36/398809436.db2.gz DEHFAVMHBJXGMJ-BFQNTYOBSA-N 2 2 301.390 2.797 20 5 DFBDLP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000594495856 398809439 /nfs/dbraw/zinc/80/94/39/398809439.db2.gz DEHFAVMHBJXGMJ-BFQNTYOBSA-N 2 2 301.390 2.797 20 5 DFBDLP Cc1cc(N(C)CC(C)(C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000594693750 398843703 /nfs/dbraw/zinc/84/37/03/398843703.db2.gz SUIDUFJXNRPVBW-UHFFFAOYSA-N 2 2 315.377 2.534 20 5 DFBDLP CC[NH+]1CCC([NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595003140 398889520 /nfs/dbraw/zinc/88/95/20/398889520.db2.gz FCAQXNBJNHDBET-GFCCVEGCSA-N 2 2 307.394 2.738 20 5 DFBDLP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005935 398890017 /nfs/dbraw/zinc/89/00/17/398890017.db2.gz GHPKXPJAGANUPZ-CYBMUJFWSA-N 2 2 309.410 2.986 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000595300267 398918503 /nfs/dbraw/zinc/91/85/03/398918503.db2.gz OKJUVAZTYDXNTJ-AWEZNQCLSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000595300267 398918506 /nfs/dbraw/zinc/91/85/06/398918506.db2.gz OKJUVAZTYDXNTJ-AWEZNQCLSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000595300268 398919123 /nfs/dbraw/zinc/91/91/23/398919123.db2.gz OKJUVAZTYDXNTJ-CQSZACIVSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000595300268 398919124 /nfs/dbraw/zinc/91/91/24/398919124.db2.gz OKJUVAZTYDXNTJ-CQSZACIVSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000595331088 398923033 /nfs/dbraw/zinc/92/30/33/398923033.db2.gz NNZNZJQSANOJMP-ZDUSSCGKSA-N 2 2 307.369 2.652 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000595331088 398923035 /nfs/dbraw/zinc/92/30/35/398923035.db2.gz NNZNZJQSANOJMP-ZDUSSCGKSA-N 2 2 307.369 2.652 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000595392544 398931331 /nfs/dbraw/zinc/93/13/31/398931331.db2.gz NXOLLPCNVHRAED-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000595392544 398931336 /nfs/dbraw/zinc/93/13/36/398931336.db2.gz NXOLLPCNVHRAED-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595453932 398941578 /nfs/dbraw/zinc/94/15/78/398941578.db2.gz GVUROSHNTXEREB-UHFFFAOYSA-N 2 2 321.381 2.562 20 5 DFBDLP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1onc(C)c1[N+](=O)[O-] ZINC000595453932 398941580 /nfs/dbraw/zinc/94/15/80/398941580.db2.gz GVUROSHNTXEREB-UHFFFAOYSA-N 2 2 321.381 2.562 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705776 399120520 /nfs/dbraw/zinc/12/05/20/399120520.db2.gz AFZSVHWNTSDPMM-CVEARBPZSA-N 2 2 301.390 2.846 20 5 DFBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600727582 399126738 /nfs/dbraw/zinc/12/67/38/399126738.db2.gz XUMBQQBDIZMCIJ-AAEUAGOBSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600727582 399126743 /nfs/dbraw/zinc/12/67/43/399126743.db2.gz XUMBQQBDIZMCIJ-AAEUAGOBSA-N 2 2 317.311 2.554 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906612 399130532 /nfs/dbraw/zinc/13/05/32/399130532.db2.gz MBUBPCZSMPXRIH-CABCVRRESA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906612 399130534 /nfs/dbraw/zinc/13/05/34/399130534.db2.gz MBUBPCZSMPXRIH-CABCVRRESA-N 2 2 321.421 2.698 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746361 399134070 /nfs/dbraw/zinc/13/40/70/399134070.db2.gz RXGJVLUBLMAHKU-XYPHTWIQSA-N 2 2 303.406 2.896 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746361 399134072 /nfs/dbraw/zinc/13/40/72/399134072.db2.gz RXGJVLUBLMAHKU-XYPHTWIQSA-N 2 2 303.406 2.896 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](C4CCC4)CC3)c2c1 ZINC000601115775 399231956 /nfs/dbraw/zinc/23/19/56/399231956.db2.gz CCZOQBAUAHXTSN-UHFFFAOYSA-N 2 2 312.373 2.818 20 5 DFBDLP Cc1[nH+]ccn1CCCNc1cc[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000601118234 399232844 /nfs/dbraw/zinc/23/28/44/399232844.db2.gz AOCHRZVKZHIFCP-UHFFFAOYSA-N 2 2 311.345 2.572 20 5 DFBDLP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668053 399511265 /nfs/dbraw/zinc/51/12/65/399511265.db2.gz SIDMOAGHQBMQJS-BXUZGUMPSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668053 399511268 /nfs/dbraw/zinc/51/12/68/399511268.db2.gz SIDMOAGHQBMQJS-BXUZGUMPSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668053 399511272 /nfs/dbraw/zinc/51/12/72/399511272.db2.gz SIDMOAGHQBMQJS-BXUZGUMPSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668053 399511276 /nfs/dbraw/zinc/51/12/76/399511276.db2.gz SIDMOAGHQBMQJS-BXUZGUMPSA-N 2 2 318.377 2.508 20 5 DFBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000602751766 399556482 /nfs/dbraw/zinc/55/64/82/399556482.db2.gz LRPPDMALUBAKJB-AATOQMJSSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000602751766 399556485 /nfs/dbraw/zinc/55/64/85/399556485.db2.gz LRPPDMALUBAKJB-AATOQMJSSA-N 2 2 301.390 2.634 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156566012 197123943 /nfs/dbraw/zinc/12/39/43/197123943.db2.gz RANWCFNHQSRJHY-CJNGLKHVSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@@H]1n1cc[nH+]c1 ZINC000156566012 197123944 /nfs/dbraw/zinc/12/39/44/197123944.db2.gz RANWCFNHQSRJHY-CJNGLKHVSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156428929 197112822 /nfs/dbraw/zinc/11/28/22/197112822.db2.gz DLKIFTVUOXZLHM-CJNGLKHVSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156428929 197112824 /nfs/dbraw/zinc/11/28/24/197112824.db2.gz DLKIFTVUOXZLHM-CJNGLKHVSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156425739 197112377 /nfs/dbraw/zinc/11/23/77/197112377.db2.gz ZVQUXSJHHNBMLW-YPMHNXCESA-N 2 2 306.391 2.936 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156425739 197112378 /nfs/dbraw/zinc/11/23/78/197112378.db2.gz ZVQUXSJHHNBMLW-YPMHNXCESA-N 2 2 306.391 2.936 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000423361163 296408578 /nfs/dbraw/zinc/40/85/78/296408578.db2.gz MDHQDJZVDHPBRY-MBNYWOFBSA-N 2 2 307.394 2.642 20 5 DFBDLP Cc1ccc(C[NH2+]C[C@H]2CCCn3cc[nH+]c32)cc1[N+](=O)[O-] ZINC000374148432 150312749 /nfs/dbraw/zinc/31/27/49/150312749.db2.gz YECJKPCQXHITCO-CQSZACIVSA-N 2 2 300.362 2.767 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000427839243 296669742 /nfs/dbraw/zinc/66/97/42/296669742.db2.gz DHDJXIANUGFWSR-CHWSQXEVSA-N 2 2 300.362 2.765 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000049963470 425880948 /nfs/dbraw/zinc/88/09/48/425880948.db2.gz LGGBWYJOQYSYCW-NSHDSACASA-N 2 2 309.797 2.822 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000049963470 425880949 /nfs/dbraw/zinc/88/09/49/425880949.db2.gz LGGBWYJOQYSYCW-NSHDSACASA-N 2 2 309.797 2.822 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515127 426116485 /nfs/dbraw/zinc/11/64/85/426116485.db2.gz JAUVYBPEMFNBAH-CQSZACIVSA-N 2 2 321.421 2.766 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000113515127 426116488 /nfs/dbraw/zinc/11/64/88/426116488.db2.gz JAUVYBPEMFNBAH-CQSZACIVSA-N 2 2 321.421 2.766 20 5 DFBDLP C[NH+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1[N+](=O)[O-] ZINC000290932515 426870117 /nfs/dbraw/zinc/87/01/17/426870117.db2.gz SFYDEIVJSHCYEP-UHFFFAOYSA-N 2 2 306.193 2.943 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247007 426984288 /nfs/dbraw/zinc/98/42/88/426984288.db2.gz VBEGFULHGZDRPL-HIFRSBDPSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247007 426984292 /nfs/dbraw/zinc/98/42/92/426984292.db2.gz VBEGFULHGZDRPL-HIFRSBDPSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247007 426984300 /nfs/dbraw/zinc/98/43/00/426984300.db2.gz VBEGFULHGZDRPL-HIFRSBDPSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247007 426984305 /nfs/dbraw/zinc/98/43/05/426984305.db2.gz VBEGFULHGZDRPL-HIFRSBDPSA-N 2 2 307.369 2.650 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(n3cc[nH+]c3)CC2)c(F)c1 ZINC000284020582 427118779 /nfs/dbraw/zinc/11/87/79/427118779.db2.gz KSAKCXJBXQFZDL-UHFFFAOYSA-N 2 2 322.315 2.907 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435840 427230823 /nfs/dbraw/zinc/23/08/23/427230823.db2.gz HWEDGUIDCXAWKD-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285435840 427230829 /nfs/dbraw/zinc/23/08/29/427230829.db2.gz HWEDGUIDCXAWKD-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285435840 427230832 /nfs/dbraw/zinc/23/08/32/427230832.db2.gz HWEDGUIDCXAWKD-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285435840 427230838 /nfs/dbraw/zinc/23/08/38/427230838.db2.gz HWEDGUIDCXAWKD-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057266 427498083 /nfs/dbraw/zinc/49/80/83/427498083.db2.gz ZROCDTRDXYFLNM-HFBAOOFYSA-N 2 2 303.406 2.905 20 5 DFBDLP Cc1ccc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cc1[N+](=O)[O-] ZINC000351567022 428102334 /nfs/dbraw/zinc/10/23/34/428102334.db2.gz IIGDVNKBEOHADA-UHFFFAOYSA-N 2 2 323.356 3.155 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000377772085 428222964 /nfs/dbraw/zinc/22/29/64/428222964.db2.gz FHPZTPWMHYOONF-SNVBAGLBSA-N 2 2 306.753 2.618 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)ccc1Cl ZINC000377772085 428222969 /nfs/dbraw/zinc/22/29/69/428222969.db2.gz FHPZTPWMHYOONF-SNVBAGLBSA-N 2 2 306.753 2.618 20 5 DFBDLP C[N@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)C[NH3+] ZINC000346691801 428276324 /nfs/dbraw/zinc/27/63/24/428276324.db2.gz WKRMBWAWDCGVGQ-UHFFFAOYSA-N 2 2 317.336 2.613 20 5 DFBDLP C[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC(F)F)CC(C)(C)C[NH3+] ZINC000346691801 428276329 /nfs/dbraw/zinc/27/63/29/428276329.db2.gz WKRMBWAWDCGVGQ-UHFFFAOYSA-N 2 2 317.336 2.613 20 5 DFBDLP CC(C)([NH3+])C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414796052 428413714 /nfs/dbraw/zinc/41/37/14/428413714.db2.gz BORCCDDFAOKARO-UHFFFAOYSA-N 2 2 306.391 2.545 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928662 428459486 /nfs/dbraw/zinc/45/94/86/428459486.db2.gz NDLCKENXFDQNLG-MLGOLLRUSA-N 2 2 315.373 2.942 20 5 DFBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414941062 428466793 /nfs/dbraw/zinc/46/67/93/428466793.db2.gz ICOSIWVCLDLFHC-VIFPVBQESA-N 2 2 309.753 2.945 20 5 DFBDLP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415021318 428491215 /nfs/dbraw/zinc/49/12/15/428491215.db2.gz UIOZEMHFRAGTBP-ZJUUUORDSA-N 2 2 306.391 2.544 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344829002 428709821 /nfs/dbraw/zinc/70/98/21/428709821.db2.gz QMDAKDGMEPCDKO-UZGISAJGSA-N 2 2 301.390 2.824 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000344829002 428709825 /nfs/dbraw/zinc/70/98/25/428709825.db2.gz QMDAKDGMEPCDKO-UZGISAJGSA-N 2 2 301.390 2.824 20 5 DFBDLP C[C@H]1C[N@H+](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154769 429135637 /nfs/dbraw/zinc/13/56/37/429135637.db2.gz HYAJRJDXPSSBAJ-ZANVPECISA-N 2 2 317.311 2.653 20 5 DFBDLP C[C@H]1C[N@@H+](C)C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154769 429135644 /nfs/dbraw/zinc/13/56/44/429135644.db2.gz HYAJRJDXPSSBAJ-ZANVPECISA-N 2 2 317.311 2.653 20 5 DFBDLP COc1ccc(-c2ccc(C[N@H+](C)[C@@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435386677 429136516 /nfs/dbraw/zinc/13/65/16/429136516.db2.gz UYJLVKWYAHSBAK-NSHDSACASA-N 2 2 319.361 2.642 20 5 DFBDLP COc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435386677 429136520 /nfs/dbraw/zinc/13/65/20/429136520.db2.gz UYJLVKWYAHSBAK-NSHDSACASA-N 2 2 319.361 2.642 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCCCC1 ZINC000449069157 429322998 /nfs/dbraw/zinc/32/29/98/429322998.db2.gz DXLCNRQQAWQHSZ-OAHLLOKOSA-N 2 2 305.422 2.991 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000449192322 429354583 /nfs/dbraw/zinc/35/45/83/429354583.db2.gz UMBVRLJGAPRFEI-VNHYZAJKSA-N 2 2 303.406 2.741 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000449192322 429354587 /nfs/dbraw/zinc/35/45/87/429354587.db2.gz UMBVRLJGAPRFEI-VNHYZAJKSA-N 2 2 303.406 2.741 20 5 DFBDLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000368239408 429814849 /nfs/dbraw/zinc/81/48/49/429814849.db2.gz ABCBLWCUJRLCSN-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP C[N@H+]1CCCC12CC[NH+](CCOc1ccc([N+](=O)[O-])cc1)CC2 ZINC000368239408 429814854 /nfs/dbraw/zinc/81/48/54/429814854.db2.gz ABCBLWCUJRLCSN-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000368846983 429898647 /nfs/dbraw/zinc/89/86/47/429898647.db2.gz VNVWAMNEQCLANC-LLVKDONJSA-N 2 2 306.753 2.549 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000558492638 429974477 /nfs/dbraw/zinc/97/44/77/429974477.db2.gz DNBILEOQOFFCQZ-YRBHFNIASA-N 2 2 312.373 2.868 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000558492638 429974481 /nfs/dbraw/zinc/97/44/81/429974481.db2.gz DNBILEOQOFFCQZ-YRBHFNIASA-N 2 2 312.373 2.868 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568643344 430378468 /nfs/dbraw/zinc/37/84/68/430378468.db2.gz HXPIZRPLOMMZBM-TZMCWYRMSA-N 2 2 307.394 2.694 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000568643344 430378471 /nfs/dbraw/zinc/37/84/71/430378471.db2.gz HXPIZRPLOMMZBM-TZMCWYRMSA-N 2 2 307.394 2.694 20 5 DFBDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095620 430628308 /nfs/dbraw/zinc/62/83/08/430628308.db2.gz RLSCJIZVQQPVQU-OFQRWUPVSA-N 2 2 305.422 2.846 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562838004 302007827 /nfs/dbraw/zinc/00/78/27/302007827.db2.gz YDJXLKWVBKDEOM-DLBZAZTESA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562838004 302007829 /nfs/dbraw/zinc/00/78/29/302007829.db2.gz YDJXLKWVBKDEOM-DLBZAZTESA-N 2 2 319.405 2.580 20 5 DFBDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408557 522863886 /nfs/dbraw/zinc/86/38/86/522863886.db2.gz OGDREKATFGBTOE-IAGOWNOFSA-N 2 2 321.421 2.746 20 5 DFBDLP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408557 522863895 /nfs/dbraw/zinc/86/38/95/522863895.db2.gz OGDREKATFGBTOE-IAGOWNOFSA-N 2 2 321.421 2.746 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655526 527458222 /nfs/dbraw/zinc/45/82/22/527458222.db2.gz AYBLSDSKJBWKRW-CQSZACIVSA-N 2 2 300.362 2.708 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655526 527458228 /nfs/dbraw/zinc/45/82/28/527458228.db2.gz AYBLSDSKJBWKRW-CQSZACIVSA-N 2 2 300.362 2.708 20 5 DFBDLP CC[C@@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000592487975 398432810 /nfs/dbraw/zinc/43/28/10/398432810.db2.gz DUOPLAXRFVJYBH-CJNGLKHVSA-N 2 2 321.421 2.941 20 5 DFBDLP CC[C@@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@@H]1[NH3+] ZINC000592487975 398432814 /nfs/dbraw/zinc/43/28/14/398432814.db2.gz DUOPLAXRFVJYBH-CJNGLKHVSA-N 2 2 321.421 2.941 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000585744106 398443772 /nfs/dbraw/zinc/44/37/72/398443772.db2.gz BKSOEMQEVDLGQP-ALCCZGGFSA-N 2 2 312.373 2.931 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465686 398542336 /nfs/dbraw/zinc/54/23/36/398542336.db2.gz MCRAMIIPMNXHLK-CZUORRHYSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465686 398542341 /nfs/dbraw/zinc/54/23/41/398542341.db2.gz MCRAMIIPMNXHLK-CZUORRHYSA-N 2 2 307.369 2.698 20 5 DFBDLP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053950 398592466 /nfs/dbraw/zinc/59/24/66/398592466.db2.gz YAFFLNHPHZMJMC-XQDHMALISA-N 2 2 301.390 2.636 20 5 DFBDLP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053950 398592469 /nfs/dbraw/zinc/59/24/69/398592469.db2.gz YAFFLNHPHZMJMC-XQDHMALISA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053950 398592472 /nfs/dbraw/zinc/59/24/72/398592472.db2.gz YAFFLNHPHZMJMC-XQDHMALISA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053950 398592473 /nfs/dbraw/zinc/59/24/73/398592473.db2.gz YAFFLNHPHZMJMC-XQDHMALISA-N 2 2 301.390 2.636 20 5 DFBDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[N@@H+]1C1CC1 ZINC000594495862 398809492 /nfs/dbraw/zinc/80/94/92/398809492.db2.gz DEHFAVMHBJXGMJ-XHBSWPGZSA-N 2 2 301.390 2.797 20 5 DFBDLP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])C[N@H+]1C1CC1 ZINC000594495862 398809495 /nfs/dbraw/zinc/80/94/95/398809495.db2.gz DEHFAVMHBJXGMJ-XHBSWPGZSA-N 2 2 301.390 2.797 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000595005110 398890159 /nfs/dbraw/zinc/89/01/59/398890159.db2.gz XVNYTVCFQIQUNU-CYBMUJFWSA-N 2 2 307.394 2.740 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595024982 398893796 /nfs/dbraw/zinc/89/37/96/398893796.db2.gz IQRHGFWLABZZBJ-AVGNSLFASA-N 2 2 307.394 2.737 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595024982 398893799 /nfs/dbraw/zinc/89/37/99/398893799.db2.gz IQRHGFWLABZZBJ-AVGNSLFASA-N 2 2 307.394 2.737 20 5 DFBDLP COCC[N@H+](C)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599022637 398909154 /nfs/dbraw/zinc/90/91/54/398909154.db2.gz SVSSDZNDKYJHMR-UHFFFAOYSA-N 2 2 318.377 2.523 20 5 DFBDLP COCC[N@@H+](C)CCCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599022637 398909158 /nfs/dbraw/zinc/90/91/58/398909158.db2.gz SVSSDZNDKYJHMR-UHFFFAOYSA-N 2 2 318.377 2.523 20 5 DFBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065373 398915943 /nfs/dbraw/zinc/91/59/43/398915943.db2.gz JEWMKUNOZHOSRI-UAGQMJEPSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065373 398915947 /nfs/dbraw/zinc/91/59/47/398915947.db2.gz JEWMKUNOZHOSRI-UAGQMJEPSA-N 2 2 317.433 2.990 20 5 DFBDLP C[NH+](C)[C@H]1C[C@@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599099618 398921529 /nfs/dbraw/zinc/92/15/29/398921529.db2.gz GSTXAMGSJIMCHM-BJHJDKERSA-N 2 2 300.362 2.895 20 5 DFBDLP Cc1c(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508862 398953249 /nfs/dbraw/zinc/95/32/49/398953249.db2.gz YXSZCEOZANESKC-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508862 398953253 /nfs/dbraw/zinc/95/32/53/398953253.db2.gz YXSZCEOZANESKC-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508862 398953257 /nfs/dbraw/zinc/95/32/57/398953257.db2.gz YXSZCEOZANESKC-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508862 398953259 /nfs/dbraw/zinc/95/32/59/398953259.db2.gz YXSZCEOZANESKC-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708258 399120446 /nfs/dbraw/zinc/12/04/46/399120446.db2.gz DUZLIRXBLCFAFD-MBNYWOFBSA-N 2 2 307.394 2.785 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000093597356 193272765 /nfs/dbraw/zinc/27/27/65/193272765.db2.gz YCZGPUBAOWKXPT-MRXNPFEDSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000093597356 193272767 /nfs/dbraw/zinc/27/27/67/193272767.db2.gz YCZGPUBAOWKXPT-MRXNPFEDSA-N 2 2 303.406 2.821 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]CC34CC(C3)C[NH2+]4)o2)c1 ZINC000596101398 399174069 /nfs/dbraw/zinc/17/40/69/399174069.db2.gz GSEXWZMKMVDZKD-UHFFFAOYSA-N 2 2 313.357 2.696 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080989019 399200857 /nfs/dbraw/zinc/20/08/57/399200857.db2.gz XOUBKWSJWCGJHJ-CQSZACIVSA-N 2 2 300.362 2.740 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080989019 399200865 /nfs/dbraw/zinc/20/08/65/399200865.db2.gz XOUBKWSJWCGJHJ-CQSZACIVSA-N 2 2 300.362 2.740 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080989018 399201358 /nfs/dbraw/zinc/20/13/58/399201358.db2.gz XOUBKWSJWCGJHJ-AWEZNQCLSA-N 2 2 300.362 2.740 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000080989018 399201362 /nfs/dbraw/zinc/20/13/62/399201362.db2.gz XOUBKWSJWCGJHJ-AWEZNQCLSA-N 2 2 300.362 2.740 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609257617 399310593 /nfs/dbraw/zinc/31/05/93/399310593.db2.gz AUZVBZLZYJISJM-HNNXBMFYSA-N 2 2 316.361 2.507 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609257617 399310597 /nfs/dbraw/zinc/31/05/97/399310597.db2.gz AUZVBZLZYJISJM-HNNXBMFYSA-N 2 2 316.361 2.507 20 5 DFBDLP C[C@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582603 399382129 /nfs/dbraw/zinc/38/21/29/399382129.db2.gz CSWGZLXXUPYRPL-RYUDHWBXSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000610582603 399382132 /nfs/dbraw/zinc/38/21/32/399382132.db2.gz CSWGZLXXUPYRPL-RYUDHWBXSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582603 399382134 /nfs/dbraw/zinc/38/21/34/399382134.db2.gz CSWGZLXXUPYRPL-RYUDHWBXSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@H]1C[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582603 399382136 /nfs/dbraw/zinc/38/21/36/399382136.db2.gz CSWGZLXXUPYRPL-RYUDHWBXSA-N 2 2 318.377 2.651 20 5 DFBDLP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602656817 399504668 /nfs/dbraw/zinc/50/46/68/399504668.db2.gz OEHYZIHJOWJYSJ-GFCCVEGCSA-N 2 2 318.377 2.556 20 5 DFBDLP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602656817 399504671 /nfs/dbraw/zinc/50/46/71/399504671.db2.gz OEHYZIHJOWJYSJ-GFCCVEGCSA-N 2 2 318.377 2.556 20 5 DFBDLP CCC[N@H+](CCC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602661603 399507377 /nfs/dbraw/zinc/50/73/77/399507377.db2.gz FXSRWCDHEWJESL-UHFFFAOYSA-N 2 2 320.393 2.900 20 5 DFBDLP CCC[N@@H+](CCC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602661603 399507381 /nfs/dbraw/zinc/50/73/81/399507381.db2.gz FXSRWCDHEWJESL-UHFFFAOYSA-N 2 2 320.393 2.900 20 5 DFBDLP CC[C@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000422948258 296359639 /nfs/dbraw/zinc/35/96/39/296359639.db2.gz ROIHLFRVMGSWQI-UONOGXRCSA-N 2 2 307.394 2.614 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000158938858 197313038 /nfs/dbraw/zinc/31/30/38/197313038.db2.gz KCOLMTCCXLFQSB-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000158938858 197313040 /nfs/dbraw/zinc/31/30/40/197313040.db2.gz KCOLMTCCXLFQSB-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158938858 197313033 /nfs/dbraw/zinc/31/30/33/197313033.db2.gz KCOLMTCCXLFQSB-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000158938858 197313036 /nfs/dbraw/zinc/31/30/36/197313036.db2.gz KCOLMTCCXLFQSB-BBRMVZONSA-N 2 2 319.405 2.520 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091504 296377003 /nfs/dbraw/zinc/37/70/03/296377003.db2.gz XIPIAJXIZVXQQA-RNCFNFMXSA-N 2 2 317.311 2.701 20 5 DFBDLP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000603119678 399686810 /nfs/dbraw/zinc/68/68/10/399686810.db2.gz KMFJRRWVKLQWFD-UHFFFAOYSA-N 2 2 321.421 2.998 20 5 DFBDLP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000603119678 399686815 /nfs/dbraw/zinc/68/68/15/399686815.db2.gz KMFJRRWVKLQWFD-UHFFFAOYSA-N 2 2 321.421 2.998 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000293047068 533570841 /nfs/dbraw/zinc/57/08/41/533570841.db2.gz SUIZPUBHRXYZRX-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000293047068 533570844 /nfs/dbraw/zinc/57/08/44/533570844.db2.gz SUIZPUBHRXYZRX-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047068 533570847 /nfs/dbraw/zinc/57/08/47/533570847.db2.gz SUIZPUBHRXYZRX-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047068 533570848 /nfs/dbraw/zinc/57/08/48/533570848.db2.gz SUIZPUBHRXYZRX-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427700 146069351 /nfs/dbraw/zinc/06/93/51/146069351.db2.gz MCFIHFFWUABDSY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427700 146069353 /nfs/dbraw/zinc/06/93/53/146069353.db2.gz MCFIHFFWUABDSY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427700 146069355 /nfs/dbraw/zinc/06/93/55/146069355.db2.gz MCFIHFFWUABDSY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427700 146069357 /nfs/dbraw/zinc/06/93/57/146069357.db2.gz MCFIHFFWUABDSY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261734970 146268390 /nfs/dbraw/zinc/26/83/90/146268390.db2.gz OPDUNDOAZPLORO-ZWKOTPCHSA-N 2 2 311.385 2.830 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000261734970 146268391 /nfs/dbraw/zinc/26/83/91/146268391.db2.gz OPDUNDOAZPLORO-ZWKOTPCHSA-N 2 2 311.385 2.830 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+](CC[NH3+])CCc1ccccc1 ZINC000261972637 146313975 /nfs/dbraw/zinc/31/39/75/146313975.db2.gz IJSUEFTYCKHYAY-UHFFFAOYSA-N 2 2 313.401 2.907 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+](CC[NH3+])CCc1ccccc1 ZINC000261972637 146313980 /nfs/dbraw/zinc/31/39/80/146313980.db2.gz IJSUEFTYCKHYAY-UHFFFAOYSA-N 2 2 313.401 2.907 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351862507 286234011 /nfs/dbraw/zinc/23/40/11/286234011.db2.gz PRHJYUWBTRMJSP-QWHCGFSZSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351862507 286234012 /nfs/dbraw/zinc/23/40/12/286234012.db2.gz PRHJYUWBTRMJSP-QWHCGFSZSA-N 2 2 307.394 2.551 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150779804 426261513 /nfs/dbraw/zinc/26/15/13/426261513.db2.gz TVXXDJUVXVRXFN-AWEZNQCLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150779804 426261515 /nfs/dbraw/zinc/26/15/15/426261515.db2.gz TVXXDJUVXVRXFN-AWEZNQCLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209488 426376367 /nfs/dbraw/zinc/37/63/67/426376367.db2.gz CZKSWXFZPYNAJW-OCCSQVGLSA-N 2 2 307.394 2.738 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266714339 426764772 /nfs/dbraw/zinc/76/47/72/426764772.db2.gz GCRYXNWEORJHBZ-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266951729 426802288 /nfs/dbraw/zinc/80/22/88/426802288.db2.gz ULIYZOBBYMDWSQ-LBPRGKRZSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000266951729 426802292 /nfs/dbraw/zinc/80/22/92/426802292.db2.gz ULIYZOBBYMDWSQ-LBPRGKRZSA-N 2 2 316.361 2.706 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000275632850 426883065 /nfs/dbraw/zinc/88/30/65/426883065.db2.gz BJBHKVMVGZPAAO-INIZCTEOSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182378919 427066211 /nfs/dbraw/zinc/06/62/11/427066211.db2.gz OKTYJMATPOWDCX-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc([N+](=O)[O-])cc1Cl ZINC000182378919 427066217 /nfs/dbraw/zinc/06/62/17/427066217.db2.gz OKTYJMATPOWDCX-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277272265 427145217 /nfs/dbraw/zinc/14/52/17/427145217.db2.gz RSCPFHVTBVDEQB-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277272265 427145223 /nfs/dbraw/zinc/14/52/23/427145223.db2.gz RSCPFHVTBVDEQB-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000271072783 427395902 /nfs/dbraw/zinc/39/59/02/427395902.db2.gz FSNJQGYFRPSAAI-STQMWFEESA-N 2 2 318.377 2.929 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342234 428264070 /nfs/dbraw/zinc/26/40/70/428264070.db2.gz MBCTWECALYNWOP-XIRDDKMYSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342234 428264076 /nfs/dbraw/zinc/26/40/76/428264076.db2.gz MBCTWECALYNWOP-XIRDDKMYSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353945 428266159 /nfs/dbraw/zinc/26/61/59/428266159.db2.gz ZRFZQDOAXXOVKL-CVEARBPZSA-N 2 2 303.406 2.600 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353945 428266164 /nfs/dbraw/zinc/26/61/64/428266164.db2.gz ZRFZQDOAXXOVKL-CVEARBPZSA-N 2 2 303.406 2.600 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000414368959 428274487 /nfs/dbraw/zinc/27/44/87/428274487.db2.gz UCYAVRQEMQVHRT-GFCCVEGCSA-N 2 2 317.393 2.554 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@@H+]3CCC[NH2+]CC3)o2)c1 ZINC000346691849 428277796 /nfs/dbraw/zinc/27/77/96/428277796.db2.gz XQAJJYYIGKFWJX-UHFFFAOYSA-N 2 2 301.346 2.650 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[N@H+]3CCC[NH2+]CC3)o2)c1 ZINC000346691849 428277801 /nfs/dbraw/zinc/27/78/01/428277801.db2.gz XQAJJYYIGKFWJX-UHFFFAOYSA-N 2 2 301.346 2.650 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@H+](C)[C@@H]1C ZINC000346808857 428327251 /nfs/dbraw/zinc/32/72/51/428327251.db2.gz OGVASHDIQATAFL-FMKPAKJESA-N 2 2 305.422 2.988 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346808857 428327255 /nfs/dbraw/zinc/32/72/55/428327255.db2.gz OGVASHDIQATAFL-FMKPAKJESA-N 2 2 305.422 2.988 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)o2)c1 ZINC000414871358 428440985 /nfs/dbraw/zinc/44/09/85/428440985.db2.gz UNAGWFAXSMOZOS-CYBMUJFWSA-N 2 2 301.346 2.696 20 5 DFBDLP [NH3+][C@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414889256 428446289 /nfs/dbraw/zinc/44/62/89/428446289.db2.gz LGDWTSUWLOFRJE-CQSZACIVSA-N 2 2 318.402 2.545 20 5 DFBDLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414886171 428447850 /nfs/dbraw/zinc/44/78/50/428447850.db2.gz CKCMIVYRINEFJU-AWEZNQCLSA-N 2 2 301.346 2.682 20 5 DFBDLP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415021309 428491012 /nfs/dbraw/zinc/49/10/12/428491012.db2.gz UIOZEMHFRAGTBP-NXEZZACHSA-N 2 2 306.391 2.544 20 5 DFBDLP C[NH+]1CCC(CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413106058 429139324 /nfs/dbraw/zinc/13/93/24/429139324.db2.gz IYQAOEXUXQPLPQ-UHFFFAOYSA-N 2 2 300.362 2.897 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365400765 429313215 /nfs/dbraw/zinc/31/32/15/429313215.db2.gz AUKXJFRQSCMGFC-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365400765 429313218 /nfs/dbraw/zinc/31/32/18/429313218.db2.gz AUKXJFRQSCMGFC-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232019 429665252 /nfs/dbraw/zinc/66/52/52/429665252.db2.gz DZIAVVDSYLAZMY-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232019 429665257 /nfs/dbraw/zinc/66/52/57/429665257.db2.gz DZIAVVDSYLAZMY-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000558492636 429974844 /nfs/dbraw/zinc/97/48/44/429974844.db2.gz DNBILEOQOFFCQZ-VDBIKXPHSA-N 2 2 312.373 2.868 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000558492636 429974850 /nfs/dbraw/zinc/97/48/50/429974850.db2.gz DNBILEOQOFFCQZ-VDBIKXPHSA-N 2 2 312.373 2.868 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000558658686 429983405 /nfs/dbraw/zinc/98/34/05/429983405.db2.gz NXZWWVNCCMWCOA-AWEZNQCLSA-N 2 2 321.421 2.813 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000558658686 429983409 /nfs/dbraw/zinc/98/34/09/429983409.db2.gz NXZWWVNCCMWCOA-AWEZNQCLSA-N 2 2 321.421 2.813 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156384095 295335487 /nfs/dbraw/zinc/33/54/87/295335487.db2.gz OMOIMLRWAPRLAP-KRWDZBQOSA-N 2 2 313.357 2.686 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156384095 295335488 /nfs/dbraw/zinc/33/54/88/295335488.db2.gz OMOIMLRWAPRLAP-KRWDZBQOSA-N 2 2 313.357 2.686 20 5 DFBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414796740 316661128 /nfs/dbraw/zinc/66/11/28/316661128.db2.gz HZOZWMYZCHSGKP-OAHLLOKOSA-N 2 2 301.346 2.682 20 5 DFBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347608 523828664 /nfs/dbraw/zinc/82/86/64/523828664.db2.gz KFLSDKKNQAFSAX-GOEBONIOSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347608 523828671 /nfs/dbraw/zinc/82/86/71/523828671.db2.gz KFLSDKKNQAFSAX-GOEBONIOSA-N 2 2 321.421 2.665 20 5 DFBDLP CC[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247156560 535540131 /nfs/dbraw/zinc/54/01/31/535540131.db2.gz TXXPECLTBYEBPE-IAGOWNOFSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247156560 535540139 /nfs/dbraw/zinc/54/01/39/535540139.db2.gz TXXPECLTBYEBPE-IAGOWNOFSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000589201739 398536638 /nfs/dbraw/zinc/53/66/38/398536638.db2.gz FICHHGAHQXEXGB-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000589201739 398536643 /nfs/dbraw/zinc/53/66/43/398536643.db2.gz FICHHGAHQXEXGB-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000152526069 186081981 /nfs/dbraw/zinc/08/19/81/186081981.db2.gz ZONZVWYNBVOFGX-CYBMUJFWSA-N 2 2 318.377 2.931 20 5 DFBDLP CC(C)C[C@H]([NH3+])C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414701044 295817616 /nfs/dbraw/zinc/81/76/16/295817616.db2.gz KQJDJAKSKQNMDR-AWEZNQCLSA-N 2 2 321.421 2.811 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000593727670 398678058 /nfs/dbraw/zinc/67/80/58/398678058.db2.gz PRTZOMWHEIXTSH-KBPBESRZSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000593727670 398678061 /nfs/dbraw/zinc/67/80/61/398678061.db2.gz PRTZOMWHEIXTSH-KBPBESRZSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@@H]3CCc4c[nH+]cn4C3)c2c1 ZINC000591160412 398734198 /nfs/dbraw/zinc/73/41/98/398734198.db2.gz QAOALMXDWBCQBS-GFCCVEGCSA-N 2 2 309.329 2.766 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC000594942078 398877898 /nfs/dbraw/zinc/87/78/98/398877898.db2.gz WESQYDBYEWTEKT-GFCCVEGCSA-N 2 2 300.362 2.897 20 5 DFBDLP CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)c1ccc([N+](=O)[O-])cc1 ZINC000594942829 398878660 /nfs/dbraw/zinc/87/86/60/398878660.db2.gz ZUHRNZITJWBTPX-UHFFFAOYSA-N 2 2 300.362 2.762 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188413296 200241824 /nfs/dbraw/zinc/24/18/24/200241824.db2.gz SQHRINRLFCHJNB-WUTVXBCWSA-N 2 2 312.373 2.969 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188413296 200241826 /nfs/dbraw/zinc/24/18/26/200241826.db2.gz SQHRINRLFCHJNB-WUTVXBCWSA-N 2 2 312.373 2.969 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000417350990 296012772 /nfs/dbraw/zinc/01/27/72/296012772.db2.gz BMYKHFGPGLVKBO-HNNXBMFYSA-N 2 2 303.406 2.600 20 5 DFBDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417385729 296015845 /nfs/dbraw/zinc/01/58/45/296015845.db2.gz XZNAXBYHUTXNMV-KRWDZBQOSA-N 2 2 314.389 2.928 20 5 DFBDLP Cc1noc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429071 398936705 /nfs/dbraw/zinc/93/67/05/398936705.db2.gz BGYCWKJQXLPLSP-YPMHNXCESA-N 2 2 322.409 2.634 20 5 DFBDLP Cc1noc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429071 398936708 /nfs/dbraw/zinc/93/67/08/398936708.db2.gz BGYCWKJQXLPLSP-YPMHNXCESA-N 2 2 322.409 2.634 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708259 399120411 /nfs/dbraw/zinc/12/04/11/399120411.db2.gz DUZLIRXBLCFAFD-OBJOEFQTSA-N 2 2 307.394 2.785 20 5 DFBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600727583 399126935 /nfs/dbraw/zinc/12/69/35/399126935.db2.gz XUMBQQBDIZMCIJ-DGCLKSJQSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600727583 399126939 /nfs/dbraw/zinc/12/69/39/399126939.db2.gz XUMBQQBDIZMCIJ-DGCLKSJQSA-N 2 2 317.311 2.554 20 5 DFBDLP C[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595909362 399131688 /nfs/dbraw/zinc/13/16/88/399131688.db2.gz LWJGBXUZHQNSIT-IUODEOHRSA-N 2 2 307.394 2.640 20 5 DFBDLP C[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])[C@@H]1CCC[NH3+] ZINC000595909362 399131689 /nfs/dbraw/zinc/13/16/89/399131689.db2.gz LWJGBXUZHQNSIT-IUODEOHRSA-N 2 2 307.394 2.640 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420352956 296178654 /nfs/dbraw/zinc/17/86/54/296178654.db2.gz BCIGZEZWUVOXSB-HNNXBMFYSA-N 2 2 309.410 2.845 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420385819 296184350 /nfs/dbraw/zinc/18/43/50/296184350.db2.gz FJCOYEZURBCUHY-CJNGLKHVSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420385819 296184352 /nfs/dbraw/zinc/18/43/52/296184352.db2.gz FJCOYEZURBCUHY-CJNGLKHVSA-N 2 2 319.405 2.567 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958698 399194762 /nfs/dbraw/zinc/19/47/62/399194762.db2.gz GQTWPHQDDLSNGU-ZDUSSCGKSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961798 399196328 /nfs/dbraw/zinc/19/63/28/399196328.db2.gz YGQXWLSITXXTBS-LLVKDONJSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080961798 399196332 /nfs/dbraw/zinc/19/63/32/399196332.db2.gz YGQXWLSITXXTBS-LLVKDONJSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000080958698 399194763 /nfs/dbraw/zinc/19/47/63/399194763.db2.gz GQTWPHQDDLSNGU-ZDUSSCGKSA-N 2 2 316.361 2.576 20 5 DFBDLP C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136704 399238146 /nfs/dbraw/zinc/23/81/46/399238146.db2.gz JVHWKZMWGBQEMM-RYUDHWBXSA-N 2 2 300.362 2.672 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000602707188 399531688 /nfs/dbraw/zinc/53/16/88/399531688.db2.gz DNQSYVHTGRKQJR-DLBZAZTESA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000602707188 399531693 /nfs/dbraw/zinc/53/16/93/399531693.db2.gz DNQSYVHTGRKQJR-DLBZAZTESA-N 2 2 303.406 2.744 20 5 DFBDLP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090209 296377194 /nfs/dbraw/zinc/37/71/94/296377194.db2.gz UWYMRLVBGGAFDR-RYUDHWBXSA-N 2 2 303.284 2.583 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545856 296428506 /nfs/dbraw/zinc/42/85/06/296428506.db2.gz DWNWFBAUHHGIKN-GXTWGEPZSA-N 2 2 307.394 2.786 20 5 DFBDLP Cn1c[nH+]cc1CC[N@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290037525 221395723 /nfs/dbraw/zinc/39/57/23/221395723.db2.gz NTNPFNRCMMQGNL-UHFFFAOYSA-N 2 2 300.362 2.535 20 5 DFBDLP Cn1c[nH+]cc1CC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000290037525 221395724 /nfs/dbraw/zinc/39/57/24/221395724.db2.gz NTNPFNRCMMQGNL-UHFFFAOYSA-N 2 2 300.362 2.535 20 5 DFBDLP Cc1noc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603119675 399686649 /nfs/dbraw/zinc/68/66/49/399686649.db2.gz KGFIMTAYRPOVSB-UHFFFAOYSA-N 2 2 310.398 2.589 20 5 DFBDLP Cc1noc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1[N+](=O)[O-] ZINC000603119675 399686651 /nfs/dbraw/zinc/68/66/51/399686651.db2.gz KGFIMTAYRPOVSB-UHFFFAOYSA-N 2 2 310.398 2.589 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000373759121 150253866 /nfs/dbraw/zinc/25/38/66/150253866.db2.gz HIFCRDQIBPUXDA-UHFFFAOYSA-N 2 2 319.405 2.664 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000373759121 150253869 /nfs/dbraw/zinc/25/38/69/150253869.db2.gz HIFCRDQIBPUXDA-UHFFFAOYSA-N 2 2 319.405 2.664 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000374197064 150320813 /nfs/dbraw/zinc/32/08/13/150320813.db2.gz AXOFVDKCZZLOHH-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374197064 150320817 /nfs/dbraw/zinc/32/08/17/150320817.db2.gz AXOFVDKCZZLOHH-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP COc1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000374214458 150322987 /nfs/dbraw/zinc/32/29/87/150322987.db2.gz XXZNQSUGKACWRS-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076003444 426094133 /nfs/dbraw/zinc/09/41/33/426094133.db2.gz QCEKUJUWVGKRPH-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000076003444 426094134 /nfs/dbraw/zinc/09/41/34/426094134.db2.gz QCEKUJUWVGKRPH-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000283106426 426953742 /nfs/dbraw/zinc/95/37/42/426953742.db2.gz MBVJDGRHBLFUND-LBPRGKRZSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000283106426 426953748 /nfs/dbraw/zinc/95/37/48/426953748.db2.gz MBVJDGRHBLFUND-LBPRGKRZSA-N 2 2 304.325 2.837 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337871001 427010431 /nfs/dbraw/zinc/01/04/31/427010431.db2.gz NRBLGOSLSWYOEV-LSDHHAIUSA-N 2 2 319.405 2.710 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337871001 427010439 /nfs/dbraw/zinc/01/04/39/427010439.db2.gz NRBLGOSLSWYOEV-LSDHHAIUSA-N 2 2 319.405 2.710 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332388 271192744 /nfs/dbraw/zinc/19/27/44/271192744.db2.gz VLAOKZRPOUUYDS-HNNXBMFYSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccccc1[N+](=O)[O-] ZINC000178332388 271192750 /nfs/dbraw/zinc/19/27/50/271192750.db2.gz VLAOKZRPOUUYDS-HNNXBMFYSA-N 2 2 300.362 2.764 20 5 DFBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285794759 427340372 /nfs/dbraw/zinc/34/03/72/427340372.db2.gz YCRQYFZIIHCTMJ-UHFFFAOYSA-N 2 2 310.304 2.592 20 5 DFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285794759 427340379 /nfs/dbraw/zinc/34/03/79/427340379.db2.gz YCRQYFZIIHCTMJ-UHFFFAOYSA-N 2 2 310.304 2.592 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(Cl)c1 ZINC000344120914 272267967 /nfs/dbraw/zinc/26/79/67/272267967.db2.gz DTYUKHBGZFZIDZ-UHFFFAOYSA-N 2 2 309.797 2.965 20 5 DFBDLP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176659 427980989 /nfs/dbraw/zinc/98/09/89/427980989.db2.gz UWPFHPYHTYWBPR-CYBMUJFWSA-N 2 2 314.389 2.921 20 5 DFBDLP CC[N@@H+](C)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176659 427980994 /nfs/dbraw/zinc/98/09/94/427980994.db2.gz UWPFHPYHTYWBPR-CYBMUJFWSA-N 2 2 314.389 2.921 20 5 DFBDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539657 428142966 /nfs/dbraw/zinc/14/29/66/428142966.db2.gz BNFBKRWEBUFGFW-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539657 428142971 /nfs/dbraw/zinc/14/29/71/428142971.db2.gz BNFBKRWEBUFGFW-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539657 428142977 /nfs/dbraw/zinc/14/29/77/428142977.db2.gz BNFBKRWEBUFGFW-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539657 428142981 /nfs/dbraw/zinc/14/29/81/428142981.db2.gz BNFBKRWEBUFGFW-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556396 428150643 /nfs/dbraw/zinc/15/06/43/428150643.db2.gz ZHUCTXHAVVCEAJ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556396 428150648 /nfs/dbraw/zinc/15/06/48/428150648.db2.gz ZHUCTXHAVVCEAJ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556396 428150656 /nfs/dbraw/zinc/15/06/56/428150656.db2.gz ZHUCTXHAVVCEAJ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352556396 428150663 /nfs/dbraw/zinc/15/06/63/428150663.db2.gz ZHUCTXHAVVCEAJ-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769596 428396806 /nfs/dbraw/zinc/39/68/06/428396806.db2.gz MJYRWZJFVNLAID-NHYWBVRUSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769596 428396812 /nfs/dbraw/zinc/39/68/12/428396812.db2.gz MJYRWZJFVNLAID-NHYWBVRUSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765945 428397932 /nfs/dbraw/zinc/39/79/32/428397932.db2.gz GSABIACGGYCOMN-FZMZJTMJSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765945 428397939 /nfs/dbraw/zinc/39/79/39/428397939.db2.gz GSABIACGGYCOMN-FZMZJTMJSA-N 2 2 301.346 2.776 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638882 429356859 /nfs/dbraw/zinc/35/68/59/429356859.db2.gz OGGDFPGSWCBNMT-AWEZNQCLSA-N 2 2 300.362 2.708 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638882 429356862 /nfs/dbraw/zinc/35/68/62/429356862.db2.gz OGGDFPGSWCBNMT-AWEZNQCLSA-N 2 2 300.362 2.708 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000366758072 429509578 /nfs/dbraw/zinc/50/95/78/429509578.db2.gz NVPJLWKKFUGJQN-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000366758072 429509582 /nfs/dbraw/zinc/50/95/82/429509582.db2.gz NVPJLWKKFUGJQN-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207408 429662777 /nfs/dbraw/zinc/66/27/77/429662777.db2.gz ZNBAYUPNZGYNQY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207408 429662780 /nfs/dbraw/zinc/66/27/80/429662780.db2.gz ZNBAYUPNZGYNQY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207408 429662784 /nfs/dbraw/zinc/66/27/84/429662784.db2.gz ZNBAYUPNZGYNQY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207408 429662789 /nfs/dbraw/zinc/66/27/89/429662789.db2.gz ZNBAYUPNZGYNQY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995507 429762104 /nfs/dbraw/zinc/76/21/04/429762104.db2.gz NBKRIYLXYGSDCQ-WCQYABFASA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000367995507 429762109 /nfs/dbraw/zinc/76/21/09/429762109.db2.gz NBKRIYLXYGSDCQ-WCQYABFASA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685881 429886810 /nfs/dbraw/zinc/88/68/10/429886810.db2.gz BZQCEGVRIXXWNQ-VXGBXAGGSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000368685881 429886812 /nfs/dbraw/zinc/88/68/12/429886812.db2.gz BZQCEGVRIXXWNQ-VXGBXAGGSA-N 2 2 300.362 2.834 20 5 DFBDLP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289556655 279181866 /nfs/dbraw/zinc/18/18/66/279181866.db2.gz YDOVZFXSIKUBRB-UHFFFAOYSA-N 2 2 321.421 2.911 20 5 DFBDLP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000289556655 279181867 /nfs/dbraw/zinc/18/18/67/279181867.db2.gz YDOVZFXSIKUBRB-UHFFFAOYSA-N 2 2 321.421 2.911 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984761 301123922 /nfs/dbraw/zinc/12/39/22/301123922.db2.gz ZSMMQVCFUTZEEL-LSDHHAIUSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984761 301123924 /nfs/dbraw/zinc/12/39/24/301123924.db2.gz ZSMMQVCFUTZEEL-LSDHHAIUSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000531984759 301124045 /nfs/dbraw/zinc/12/40/45/301124045.db2.gz ZSMMQVCFUTZEEL-GJZGRUSLSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000531984759 301124047 /nfs/dbraw/zinc/12/40/47/301124047.db2.gz ZSMMQVCFUTZEEL-GJZGRUSLSA-N 2 2 305.422 2.847 20 5 DFBDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249133 301251634 /nfs/dbraw/zinc/25/16/34/301251634.db2.gz XXCYPBJNMMLSQQ-HNNXBMFYSA-N 2 2 303.406 2.827 20 5 DFBDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249133 301251635 /nfs/dbraw/zinc/25/16/35/301251635.db2.gz XXCYPBJNMMLSQQ-HNNXBMFYSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249133 301251637 /nfs/dbraw/zinc/25/16/37/301251637.db2.gz XXCYPBJNMMLSQQ-HNNXBMFYSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249133 301251639 /nfs/dbraw/zinc/25/16/39/301251639.db2.gz XXCYPBJNMMLSQQ-HNNXBMFYSA-N 2 2 303.406 2.827 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578083131 318237023 /nfs/dbraw/zinc/23/70/23/318237023.db2.gz MHNCCTFHWUPOPC-HNNXBMFYSA-N 2 2 312.373 2.905 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000158031261 527351135 /nfs/dbraw/zinc/35/11/35/527351135.db2.gz IJLRDQSCOIQCED-CHWSQXEVSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000158031261 527351138 /nfs/dbraw/zinc/35/11/38/527351138.db2.gz IJLRDQSCOIQCED-CHWSQXEVSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584830452 398418109 /nfs/dbraw/zinc/41/81/09/398418109.db2.gz RLPJSBVPEWJNSY-SJORKVTESA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584830452 398418111 /nfs/dbraw/zinc/41/81/11/398418111.db2.gz RLPJSBVPEWJNSY-SJORKVTESA-N 2 2 319.405 2.580 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199824 398537399 /nfs/dbraw/zinc/53/73/99/398537399.db2.gz OJIGNIJTVRRYCK-VOKGJARPSA-N 2 2 312.373 2.831 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199824 398537401 /nfs/dbraw/zinc/53/74/01/398537401.db2.gz OJIGNIJTVRRYCK-VOKGJARPSA-N 2 2 312.373 2.831 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950653 398555679 /nfs/dbraw/zinc/55/56/79/398555679.db2.gz GUIFUGKLMRYABV-LSDHHAIUSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950653 398555682 /nfs/dbraw/zinc/55/56/82/398555682.db2.gz GUIFUGKLMRYABV-LSDHHAIUSA-N 2 2 319.405 2.567 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940096 295837896 /nfs/dbraw/zinc/83/78/96/295837896.db2.gz XEXBLYIMAUACFF-WBMJQRKESA-N 2 2 315.373 2.942 20 5 DFBDLP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc(OC)cc2[N+](=O)[O-])o1 ZINC000414972216 295842770 /nfs/dbraw/zinc/84/27/70/295842770.db2.gz AIIVUQVGEHBQDZ-NSHDSACASA-N 2 2 319.361 2.690 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282684 398745164 /nfs/dbraw/zinc/74/51/64/398745164.db2.gz OWRQQSHCCRTADR-CQSZACIVSA-N 2 2 319.405 2.758 20 5 DFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568250 192292944 /nfs/dbraw/zinc/29/29/44/192292944.db2.gz YOXXAEHMHRBWEQ-HNNXBMFYSA-N 2 2 321.421 2.637 20 5 DFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568250 192292947 /nfs/dbraw/zinc/29/29/47/192292947.db2.gz YOXXAEHMHRBWEQ-HNNXBMFYSA-N 2 2 321.421 2.637 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568250 192292950 /nfs/dbraw/zinc/29/29/50/192292950.db2.gz YOXXAEHMHRBWEQ-HNNXBMFYSA-N 2 2 321.421 2.637 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568250 192292952 /nfs/dbraw/zinc/29/29/52/192292952.db2.gz YOXXAEHMHRBWEQ-HNNXBMFYSA-N 2 2 321.421 2.637 20 5 DFBDLP CCC[N@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000261634552 283292805 /nfs/dbraw/zinc/29/28/05/283292805.db2.gz IBVHVGMFHHHKKX-UHFFFAOYSA-N 2 2 307.394 2.567 20 5 DFBDLP CCC[N@@H+](Cc1cc([N+](=O)[O-])ccc1OC)C1CC[NH2+]CC1 ZINC000261634552 283292807 /nfs/dbraw/zinc/29/28/07/283292807.db2.gz IBVHVGMFHHHKKX-UHFFFAOYSA-N 2 2 307.394 2.567 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000595004432 398889481 /nfs/dbraw/zinc/88/94/81/398889481.db2.gz RLIDLCHVZVZVHE-CYBMUJFWSA-N 2 2 309.410 2.984 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000595004432 398889482 /nfs/dbraw/zinc/88/94/82/398889482.db2.gz RLIDLCHVZVZVHE-CYBMUJFWSA-N 2 2 309.410 2.984 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000595005573 398890040 /nfs/dbraw/zinc/89/00/40/398890040.db2.gz ASQNVXFUPRCARC-VXGBXAGGSA-N 2 2 304.350 2.539 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000595011480 398891952 /nfs/dbraw/zinc/89/19/52/398891952.db2.gz FNIMGGKUMOYWSC-ZDUSSCGKSA-N 2 2 318.377 2.931 20 5 DFBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065376 398915555 /nfs/dbraw/zinc/91/55/55/398915555.db2.gz JEWMKUNOZHOSRI-USXIJHARSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065376 398915556 /nfs/dbraw/zinc/91/55/56/398915556.db2.gz JEWMKUNOZHOSRI-USXIJHARSA-N 2 2 317.433 2.990 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1[N+](=O)[O-] ZINC000600705816 399120364 /nfs/dbraw/zinc/12/03/64/399120364.db2.gz AUJPLSSZIUCGEC-KWCYVHTRSA-N 2 2 307.394 2.785 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000093597357 193272297 /nfs/dbraw/zinc/27/22/97/193272297.db2.gz YCZGPUBAOWKXPT-INIZCTEOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000093597357 193272299 /nfs/dbraw/zinc/27/22/99/193272299.db2.gz YCZGPUBAOWKXPT-INIZCTEOSA-N 2 2 303.406 2.821 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CCCn4cc[nH+]c43)c2c1 ZINC000601132890 399237579 /nfs/dbraw/zinc/23/75/79/399237579.db2.gz QABGVXZYLCYSAZ-LBPRGKRZSA-N 2 2 323.356 2.751 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609257618 399310772 /nfs/dbraw/zinc/31/07/72/399310772.db2.gz AUZVBZLZYJISJM-OAHLLOKOSA-N 2 2 316.361 2.507 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1 ZINC000609257618 399310775 /nfs/dbraw/zinc/31/07/75/399310775.db2.gz AUZVBZLZYJISJM-OAHLLOKOSA-N 2 2 316.361 2.507 20 5 DFBDLP C[N@H+](CCC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619622486 399369432 /nfs/dbraw/zinc/36/94/32/399369432.db2.gz ZMPRQPQFYSCDGI-UHFFFAOYSA-N 2 2 318.377 2.654 20 5 DFBDLP C[N@@H+](CCC[NH+]1CCCC1)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000619622486 399369437 /nfs/dbraw/zinc/36/94/37/399369437.db2.gz ZMPRQPQFYSCDGI-UHFFFAOYSA-N 2 2 318.377 2.654 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615837147 399388042 /nfs/dbraw/zinc/38/80/42/399388042.db2.gz OJWOFVRVUFMSIG-OEFJIQFBSA-N 2 2 303.406 2.928 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)C1 ZINC000615837147 399388045 /nfs/dbraw/zinc/38/80/45/399388045.db2.gz OJWOFVRVUFMSIG-OEFJIQFBSA-N 2 2 303.406 2.928 20 5 DFBDLP CC[N@H+]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000611475778 399480156 /nfs/dbraw/zinc/48/01/56/399480156.db2.gz HOHQFGWVCPEOKK-DZKIICNBSA-N 2 2 305.422 2.846 20 5 DFBDLP CC[N@@H+]1C[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000611475778 399480160 /nfs/dbraw/zinc/48/01/60/399480160.db2.gz HOHQFGWVCPEOKK-DZKIICNBSA-N 2 2 305.422 2.846 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102958 285144606 /nfs/dbraw/zinc/14/46/06/285144606.db2.gz RAQBZRXJFOAUQX-WFASDCNBSA-N 2 2 312.373 2.842 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102958 285144611 /nfs/dbraw/zinc/14/46/11/285144611.db2.gz RAQBZRXJFOAUQX-WFASDCNBSA-N 2 2 312.373 2.842 20 5 DFBDLP C[C@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247796718 146170466 /nfs/dbraw/zinc/17/04/66/146170466.db2.gz ZSGMZDGXOXYUKO-WMLDXEAASA-N 2 2 314.389 2.917 20 5 DFBDLP C[C@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247796718 146170469 /nfs/dbraw/zinc/17/04/69/146170469.db2.gz ZSGMZDGXOXYUKO-WMLDXEAASA-N 2 2 314.389 2.917 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c(F)c1 ZINC000355607083 147381552 /nfs/dbraw/zinc/38/15/52/147381552.db2.gz MNZBNXINRNNFPX-UHFFFAOYSA-N 2 2 307.369 2.840 20 5 DFBDLP CC[NH+](CC)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152771956 426353135 /nfs/dbraw/zinc/35/31/35/426353135.db2.gz CHSFKMZSGNBTNL-INIZCTEOSA-N 2 2 305.422 2.847 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209803 426376495 /nfs/dbraw/zinc/37/64/95/426376495.db2.gz CZKSWXFZPYNAJW-GXTWGEPZSA-N 2 2 307.394 2.738 20 5 DFBDLP Cc1c([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228761 426377205 /nfs/dbraw/zinc/37/72/05/426377205.db2.gz XESQUOYCXARSTK-HIFRSBDPSA-N 2 2 321.421 2.522 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266939524 426800871 /nfs/dbraw/zinc/80/08/71/426800871.db2.gz QSGHQZNCMXNPNK-CYBMUJFWSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 ZINC000266939524 426800876 /nfs/dbraw/zinc/80/08/76/426800876.db2.gz QSGHQZNCMXNPNK-CYBMUJFWSA-N 2 2 316.361 2.576 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247008 426984092 /nfs/dbraw/zinc/98/40/92/426984092.db2.gz VBEGFULHGZDRPL-UKRRQHHQSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247008 426984097 /nfs/dbraw/zinc/98/40/97/426984097.db2.gz VBEGFULHGZDRPL-UKRRQHHQSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247008 426984100 /nfs/dbraw/zinc/98/41/00/426984100.db2.gz VBEGFULHGZDRPL-UKRRQHHQSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247008 426984105 /nfs/dbraw/zinc/98/41/05/426984105.db2.gz VBEGFULHGZDRPL-UKRRQHHQSA-N 2 2 307.369 2.650 20 5 DFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351143 427043553 /nfs/dbraw/zinc/04/35/53/427043553.db2.gz WJWUHBPBFIAOBC-CQSZACIVSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351143 427043558 /nfs/dbraw/zinc/04/35/58/427043558.db2.gz WJWUHBPBFIAOBC-CQSZACIVSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351143 427043562 /nfs/dbraw/zinc/04/35/62/427043562.db2.gz WJWUHBPBFIAOBC-CQSZACIVSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000276351143 427043567 /nfs/dbraw/zinc/04/35/67/427043567.db2.gz WJWUHBPBFIAOBC-CQSZACIVSA-N 2 2 309.385 2.898 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000276363533 427045768 /nfs/dbraw/zinc/04/57/68/427045768.db2.gz ZHJHJWYVPQHZDD-CQSZACIVSA-N 2 2 307.369 2.652 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1F ZINC000276363533 427045776 /nfs/dbraw/zinc/04/57/76/427045776.db2.gz ZHJHJWYVPQHZDD-CQSZACIVSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532259 271075294 /nfs/dbraw/zinc/07/52/94/271075294.db2.gz AGSKZFSZIPVWLW-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532259 271075298 /nfs/dbraw/zinc/07/52/98/271075298.db2.gz AGSKZFSZIPVWLW-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532259 271075302 /nfs/dbraw/zinc/07/53/02/271075302.db2.gz AGSKZFSZIPVWLW-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532259 271075305 /nfs/dbraw/zinc/07/53/05/271075305.db2.gz AGSKZFSZIPVWLW-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613826 427276451 /nfs/dbraw/zinc/27/64/51/427276451.db2.gz RPHWUPZIJDADGO-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613826 427276458 /nfs/dbraw/zinc/27/64/58/427276458.db2.gz RPHWUPZIJDADGO-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613826 427276464 /nfs/dbraw/zinc/27/64/64/427276464.db2.gz RPHWUPZIJDADGO-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@@H]1C ZINC000330613826 427276468 /nfs/dbraw/zinc/27/64/68/427276468.db2.gz RPHWUPZIJDADGO-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153850 427418076 /nfs/dbraw/zinc/41/80/76/427418076.db2.gz AMXVHRGEWGBIFB-BLLLJJGKSA-N 2 2 300.362 2.847 20 5 DFBDLP CC[C@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412789 428126078 /nfs/dbraw/zinc/12/60/78/428126078.db2.gz OUWGMLAOWQZGQO-OCCSQVGLSA-N 2 2 300.362 2.916 20 5 DFBDLP CC[C@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412789 428126083 /nfs/dbraw/zinc/12/60/83/428126083.db2.gz OUWGMLAOWQZGQO-OCCSQVGLSA-N 2 2 300.362 2.916 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000352780721 428245348 /nfs/dbraw/zinc/24/53/48/428245348.db2.gz VFCDKOGDAOCBHH-CYBMUJFWSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000352780721 428245352 /nfs/dbraw/zinc/24/53/52/428245352.db2.gz VFCDKOGDAOCBHH-CYBMUJFWSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1[N+](=O)[O-] ZINC000352921457 428313720 /nfs/dbraw/zinc/31/37/20/428313720.db2.gz ISVLSJVPSWRTKR-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1[N+](=O)[O-] ZINC000352921457 428313723 /nfs/dbraw/zinc/31/37/23/428313723.db2.gz ISVLSJVPSWRTKR-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1[N+](=O)[O-] ZINC000352921457 428313728 /nfs/dbraw/zinc/31/37/28/428313728.db2.gz ISVLSJVPSWRTKR-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1[N+](=O)[O-] ZINC000352921457 428313732 /nfs/dbraw/zinc/31/37/32/428313732.db2.gz ISVLSJVPSWRTKR-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000346808858 428326185 /nfs/dbraw/zinc/32/61/85/428326185.db2.gz OGVASHDIQATAFL-IIAWOOMASA-N 2 2 305.422 2.988 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@@H+](C)[C@@H]1C ZINC000346808858 428326194 /nfs/dbraw/zinc/32/61/94/428326194.db2.gz OGVASHDIQATAFL-IIAWOOMASA-N 2 2 305.422 2.988 20 5 DFBDLP C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)[C@H](C)[NH3+] ZINC000415021316 428490384 /nfs/dbraw/zinc/49/03/84/428490384.db2.gz UIOZEMHFRAGTBP-VHSXEESVSA-N 2 2 306.391 2.544 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@@H+](C2CC2)C1 ZINC000344828988 428710715 /nfs/dbraw/zinc/71/07/15/428710715.db2.gz QMDAKDGMEPCDKO-BMQCOBNYSA-N 2 2 301.390 2.824 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CC[N@H+](C2CC2)C1 ZINC000344828988 428710720 /nfs/dbraw/zinc/71/07/20/428710720.db2.gz QMDAKDGMEPCDKO-BMQCOBNYSA-N 2 2 301.390 2.824 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cc[nH+]c1 ZINC000344867661 428716178 /nfs/dbraw/zinc/71/61/78/428716178.db2.gz VUSLVVNQDATXMH-UVTDQMKNSA-N 2 2 300.362 2.875 20 5 DFBDLP CCC[C@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437921 429089830 /nfs/dbraw/zinc/08/98/30/429089830.db2.gz UPACERXIWOKQBA-DLBZAZTESA-N 2 2 321.421 2.794 20 5 DFBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349534 429069020 /nfs/dbraw/zinc/06/90/20/429069020.db2.gz VYSNHFTXXOJIHX-RDTXWAMCSA-N 2 2 311.385 2.883 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2c[nH+]c[nH]2)CC1 ZINC000434976006 429116827 /nfs/dbraw/zinc/11/68/27/429116827.db2.gz ITCIRJAKXRCTPZ-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000434976006 429116829 /nfs/dbraw/zinc/11/68/29/429116829.db2.gz ITCIRJAKXRCTPZ-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369918 429132505 /nfs/dbraw/zinc/13/25/05/429132505.db2.gz GRHHPPGWZFYBFA-LLVKDONJSA-N 2 2 303.387 2.856 20 5 DFBDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369918 429132508 /nfs/dbraw/zinc/13/25/08/429132508.db2.gz GRHHPPGWZFYBFA-LLVKDONJSA-N 2 2 303.387 2.856 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427130307 429433472 /nfs/dbraw/zinc/43/34/72/429433472.db2.gz GYUDTHHARVYGQD-GDBMZVCRSA-N 2 2 303.406 2.902 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427130307 429433477 /nfs/dbraw/zinc/43/34/77/429433477.db2.gz GYUDTHHARVYGQD-GDBMZVCRSA-N 2 2 303.406 2.902 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427896080 429477221 /nfs/dbraw/zinc/47/72/21/429477221.db2.gz VAFSKIGYLVYCBZ-TZMCWYRMSA-N 2 2 300.362 2.765 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@H](C)C1 ZINC000526053228 429697981 /nfs/dbraw/zinc/69/79/81/429697981.db2.gz ZGLIZODSIHXVJA-QTNMRXCUSA-N 2 2 303.406 2.930 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@H](C)C1 ZINC000526053228 429697982 /nfs/dbraw/zinc/69/79/82/429697982.db2.gz ZGLIZODSIHXVJA-QTNMRXCUSA-N 2 2 303.406 2.930 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704016 429703456 /nfs/dbraw/zinc/70/34/56/429703456.db2.gz OJIGNIJTVRRYCK-CSPWOOARSA-N 2 2 312.373 2.831 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704016 429703460 /nfs/dbraw/zinc/70/34/60/429703460.db2.gz OJIGNIJTVRRYCK-CSPWOOARSA-N 2 2 312.373 2.831 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000368846988 429898574 /nfs/dbraw/zinc/89/85/74/429898574.db2.gz VNVWAMNEQCLANC-NSHDSACASA-N 2 2 306.753 2.549 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000494409928 429871114 /nfs/dbraw/zinc/87/11/14/429871114.db2.gz IDIDEFYUSBHIBH-NSHDSACASA-N 2 2 306.753 2.549 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568643242 430378097 /nfs/dbraw/zinc/37/80/97/430378097.db2.gz HXPIZRPLOMMZBM-JSGCOSHPSA-N 2 2 307.394 2.694 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000568643242 430378101 /nfs/dbraw/zinc/37/81/01/430378101.db2.gz HXPIZRPLOMMZBM-JSGCOSHPSA-N 2 2 307.394 2.694 20 5 DFBDLP Cc1cc(N2CCn3c[nH+]cc3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000290711573 280582513 /nfs/dbraw/zinc/58/25/13/280582513.db2.gz OILZQYYCCWKLKU-UHFFFAOYSA-N 2 2 309.329 2.668 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156317299 295334221 /nfs/dbraw/zinc/33/42/21/295334221.db2.gz FPQFHRLIDFJJFL-CYBMUJFWSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000156317299 295334223 /nfs/dbraw/zinc/33/42/23/295334223.db2.gz FPQFHRLIDFJJFL-CYBMUJFWSA-N 2 2 317.320 2.782 20 5 DFBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983648 301123447 /nfs/dbraw/zinc/12/34/47/301123447.db2.gz KDQUUMRHZMRHOM-RHSMWYFYSA-N 2 2 317.433 2.847 20 5 DFBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983648 301123449 /nfs/dbraw/zinc/12/34/49/301123449.db2.gz KDQUUMRHZMRHOM-RHSMWYFYSA-N 2 2 317.433 2.847 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182969643 316125400 /nfs/dbraw/zinc/12/54/00/316125400.db2.gz MRECXKAAZHXOAF-UHFFFAOYSA-N 2 2 300.362 2.846 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@@H+](CCCn1cc[nH+]c1)C1CC1 ZINC000182969643 316125405 /nfs/dbraw/zinc/12/54/05/316125405.db2.gz MRECXKAAZHXOAF-UHFFFAOYSA-N 2 2 300.362 2.846 20 5 DFBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414793604 316659879 /nfs/dbraw/zinc/65/98/79/316659879.db2.gz KXCODWHTYAYZAX-CQSZACIVSA-N 2 2 303.362 2.928 20 5 DFBDLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689102 210094115 /nfs/dbraw/zinc/09/41/15/210094115.db2.gz WUGCVZDNJVIHEU-JPQUEUOBSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689102 210094117 /nfs/dbraw/zinc/09/41/17/210094117.db2.gz WUGCVZDNJVIHEU-JPQUEUOBSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689102 210094120 /nfs/dbraw/zinc/09/41/20/210094120.db2.gz WUGCVZDNJVIHEU-JPQUEUOBSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689102 210094125 /nfs/dbraw/zinc/09/41/25/210094125.db2.gz WUGCVZDNJVIHEU-JPQUEUOBSA-N 2 2 301.390 2.634 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727673 398678028 /nfs/dbraw/zinc/67/80/28/398678028.db2.gz PRTZOMWHEIXTSH-ZIAGYGMSSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727673 398678029 /nfs/dbraw/zinc/67/80/29/398678029.db2.gz PRTZOMWHEIXTSH-ZIAGYGMSSA-N 2 2 319.405 2.512 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000595008297 398891179 /nfs/dbraw/zinc/89/11/79/398891179.db2.gz DCYFRMOOXYJXAN-MJBXVCDLSA-N 2 2 319.405 2.881 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000595008297 398891182 /nfs/dbraw/zinc/89/11/82/398891182.db2.gz DCYFRMOOXYJXAN-MJBXVCDLSA-N 2 2 319.405 2.881 20 5 DFBDLP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008199 398891204 /nfs/dbraw/zinc/89/12/04/398891204.db2.gz BUTWJPOBSRHMLF-STQMWFEESA-N 2 2 307.394 2.596 20 5 DFBDLP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595008199 398891206 /nfs/dbraw/zinc/89/12/06/398891206.db2.gz BUTWJPOBSRHMLF-STQMWFEESA-N 2 2 307.394 2.596 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH2+]CC2CC[NH+](CC(F)F)CC2)c1 ZINC000598918497 398893497 /nfs/dbraw/zinc/89/34/97/398893497.db2.gz IAOWRKLIZXVEBG-UHFFFAOYSA-N 2 2 313.348 2.662 20 5 DFBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094132 398904653 /nfs/dbraw/zinc/90/46/53/398904653.db2.gz DOENBEARLUDXNF-SJORKVTESA-N 2 2 317.433 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094132 398904655 /nfs/dbraw/zinc/90/46/55/398904655.db2.gz DOENBEARLUDXNF-SJORKVTESA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000599063239 398915542 /nfs/dbraw/zinc/91/55/42/398915542.db2.gz XZNHWNOJYWLXIX-NHYWBVRUSA-N 2 2 300.362 2.895 20 5 DFBDLP CC[N@@H+]1C[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])[C@@H](C)C1 ZINC000599063239 398915544 /nfs/dbraw/zinc/91/55/44/398915544.db2.gz XZNHWNOJYWLXIX-NHYWBVRUSA-N 2 2 300.362 2.895 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355355 296013482 /nfs/dbraw/zinc/01/34/82/296013482.db2.gz NKQILRRLIQKZKA-ZBFHGGJFSA-N 2 2 317.433 2.990 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CC1 ZINC000417350992 296012879 /nfs/dbraw/zinc/01/28/79/296012879.db2.gz BMYKHFGPGLVKBO-OAHLLOKOSA-N 2 2 303.406 2.600 20 5 DFBDLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600723601 399125594 /nfs/dbraw/zinc/12/55/94/399125594.db2.gz CKWBRILZTBTHFE-DGCLKSJQSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600723601 399125598 /nfs/dbraw/zinc/12/55/98/399125598.db2.gz CKWBRILZTBTHFE-DGCLKSJQSA-N 2 2 317.311 2.554 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456465 206081901 /nfs/dbraw/zinc/08/19/01/206081901.db2.gz PMJJENGUOUJHBW-MLGOLLRUSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456465 206081905 /nfs/dbraw/zinc/08/19/05/206081905.db2.gz PMJJENGUOUJHBW-MLGOLLRUSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456465 206081909 /nfs/dbraw/zinc/08/19/09/206081909.db2.gz PMJJENGUOUJHBW-MLGOLLRUSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456465 206081910 /nfs/dbraw/zinc/08/19/10/206081910.db2.gz PMJJENGUOUJHBW-MLGOLLRUSA-N 2 2 309.385 2.896 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609260479 399311485 /nfs/dbraw/zinc/31/14/85/399311485.db2.gz RDCXCYDHXXCQKN-MRXNPFEDSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000609260479 399311488 /nfs/dbraw/zinc/31/14/88/399311488.db2.gz RDCXCYDHXXCQKN-MRXNPFEDSA-N 2 2 300.362 2.937 20 5 DFBDLP O=[N+]([O-])c1cc(C(F)(F)F)ccc1C[NH2+]CCn1cc[nH+]c1 ZINC000602502131 399461634 /nfs/dbraw/zinc/46/16/34/399461634.db2.gz DHUDMQDNWOZZCG-UHFFFAOYSA-N 2 2 314.267 2.600 20 5 DFBDLP CC[NH+](CC)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602585238 399483810 /nfs/dbraw/zinc/48/38/10/399483810.db2.gz DUXAXDKCTPXKHJ-UHFFFAOYSA-N 2 2 306.366 2.558 20 5 DFBDLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119774134 195034926 /nfs/dbraw/zinc/03/49/26/195034926.db2.gz PHUUQMQOKAJQNQ-ZNMIVQPWSA-N 2 2 321.421 2.745 20 5 DFBDLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119774134 195034928 /nfs/dbraw/zinc/03/49/28/195034928.db2.gz PHUUQMQOKAJQNQ-ZNMIVQPWSA-N 2 2 321.421 2.745 20 5 DFBDLP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602724444 399541289 /nfs/dbraw/zinc/54/12/89/399541289.db2.gz SXTYGDLMJQKURX-GFCCVEGCSA-N 2 2 318.377 2.558 20 5 DFBDLP C[N@H+]1CCCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602724444 399541295 /nfs/dbraw/zinc/54/12/95/399541295.db2.gz SXTYGDLMJQKURX-GFCCVEGCSA-N 2 2 318.377 2.558 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158939033 197313520 /nfs/dbraw/zinc/31/35/20/197313520.db2.gz KCOLMTCCXLFQSB-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158939033 197313522 /nfs/dbraw/zinc/31/35/22/197313522.db2.gz KCOLMTCCXLFQSB-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158939033 197313524 /nfs/dbraw/zinc/31/35/24/197313524.db2.gz KCOLMTCCXLFQSB-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158939033 197313526 /nfs/dbraw/zinc/31/35/26/197313526.db2.gz KCOLMTCCXLFQSB-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP C[C@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339837 285499020 /nfs/dbraw/zinc/49/90/20/285499020.db2.gz RLSCJIZVQQPVQU-IJEWVQPXSA-N 2 2 305.422 2.846 20 5 DFBDLP Cc1c(C[NH+]2CCC([NH2+]CC3CC3)CC2)cccc1[N+](=O)[O-] ZINC000262126023 146337202 /nfs/dbraw/zinc/33/72/02/146337202.db2.gz LAYSLDKKXQMPRT-UHFFFAOYSA-N 2 2 303.406 2.867 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430585409 296797662 /nfs/dbraw/zinc/79/76/62/296797662.db2.gz SGLSMCOPVWLWQN-MRXNPFEDSA-N 2 2 309.410 2.845 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)CCC1 ZINC000275632852 426882337 /nfs/dbraw/zinc/88/23/37/426882337.db2.gz BJBHKVMVGZPAAO-MRXNPFEDSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940857 427138210 /nfs/dbraw/zinc/13/82/10/427138210.db2.gz AGSKZFSZIPVWLW-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940857 427138217 /nfs/dbraw/zinc/13/82/17/427138217.db2.gz AGSKZFSZIPVWLW-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940857 427138219 /nfs/dbraw/zinc/13/82/19/427138219.db2.gz AGSKZFSZIPVWLW-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940857 427138225 /nfs/dbraw/zinc/13/82/25/427138225.db2.gz AGSKZFSZIPVWLW-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277272269 427146956 /nfs/dbraw/zinc/14/69/56/427146956.db2.gz RSCPFHVTBVDEQB-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000277272269 427146961 /nfs/dbraw/zinc/14/69/61/427146961.db2.gz RSCPFHVTBVDEQB-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285453433 427237328 /nfs/dbraw/zinc/23/73/28/427237328.db2.gz JFSNUBGXOBKXAE-NNQSOWQGSA-N 2 2 307.369 2.791 20 5 DFBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285453433 427237333 /nfs/dbraw/zinc/23/73/33/427237333.db2.gz JFSNUBGXOBKXAE-NNQSOWQGSA-N 2 2 307.369 2.791 20 5 DFBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285453433 427237338 /nfs/dbraw/zinc/23/73/38/427237338.db2.gz JFSNUBGXOBKXAE-NNQSOWQGSA-N 2 2 307.369 2.791 20 5 DFBDLP C[NH+](Cc1ccc([N+](=O)[O-])cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285453433 427237343 /nfs/dbraw/zinc/23/73/43/427237343.db2.gz JFSNUBGXOBKXAE-NNQSOWQGSA-N 2 2 307.369 2.791 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1 ZINC000342610507 272030607 /nfs/dbraw/zinc/03/06/07/272030607.db2.gz XEOFLEILFHPLSD-UHFFFAOYSA-N 2 2 316.361 2.576 20 5 DFBDLP CC[N@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301107744 427776299 /nfs/dbraw/zinc/77/62/99/427776299.db2.gz LZUABPXEYQWXIB-UHFFFAOYSA-N 2 2 315.377 2.724 20 5 DFBDLP CC[N@@H+](C)CCNc1cc(C)[nH+]c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000301107744 427776303 /nfs/dbraw/zinc/77/63/03/427776303.db2.gz LZUABPXEYQWXIB-UHFFFAOYSA-N 2 2 315.377 2.724 20 5 DFBDLP Cc1c(C[NH2+]Cc2c[nH+]ccc2N(C)C)cccc1[N+](=O)[O-] ZINC000359806748 428025501 /nfs/dbraw/zinc/02/55/01/428025501.db2.gz WTHSNYYIHMUSOI-UHFFFAOYSA-N 2 2 300.362 2.654 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000369913142 428089281 /nfs/dbraw/zinc/08/92/81/428089281.db2.gz QBVXFZQDWBCPKH-LLVKDONJSA-N 2 2 306.753 2.549 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535954 428139144 /nfs/dbraw/zinc/13/91/44/428139144.db2.gz XRDLEFDXMFRNKM-GPCFVJJQSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535954 428139150 /nfs/dbraw/zinc/13/91/50/428139150.db2.gz XRDLEFDXMFRNKM-GPCFVJJQSA-N 2 2 301.390 2.684 20 5 DFBDLP COc1cc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539658 428141399 /nfs/dbraw/zinc/14/13/99/428141399.db2.gz BNFBKRWEBUFGFW-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539658 428141403 /nfs/dbraw/zinc/14/14/03/428141403.db2.gz BNFBKRWEBUFGFW-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539658 428141405 /nfs/dbraw/zinc/14/14/05/428141405.db2.gz BNFBKRWEBUFGFW-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539658 428141411 /nfs/dbraw/zinc/14/14/11/428141411.db2.gz BNFBKRWEBUFGFW-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000352556405 428150714 /nfs/dbraw/zinc/15/07/14/428150714.db2.gz ZLMZGCSKWHCELY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000352556405 428150718 /nfs/dbraw/zinc/15/07/18/428150718.db2.gz ZLMZGCSKWHCELY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000352556405 428150722 /nfs/dbraw/zinc/15/07/22/428150722.db2.gz ZLMZGCSKWHCELY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000352556405 428150724 /nfs/dbraw/zinc/15/07/24/428150724.db2.gz ZLMZGCSKWHCELY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP CC(C)(C[NH2+]Cc1ccc([N+](=O)[O-])cc1F)C[NH+]1CCCC1 ZINC000360165704 428188055 /nfs/dbraw/zinc/18/80/55/428188055.db2.gz NTBBQDYDRNYIDM-UHFFFAOYSA-N 2 2 309.385 2.946 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342736 428263837 /nfs/dbraw/zinc/26/38/37/428263837.db2.gz MSZGMGSPOGSBBX-GXTWGEPZSA-N 2 2 307.394 2.738 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342736 428263844 /nfs/dbraw/zinc/26/38/44/428263844.db2.gz MSZGMGSPOGSBBX-GXTWGEPZSA-N 2 2 307.394 2.738 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353948 428268534 /nfs/dbraw/zinc/26/85/34/428268534.db2.gz ZRFZQDOAXXOVKL-HZPDHXFCSA-N 2 2 303.406 2.600 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353948 428268540 /nfs/dbraw/zinc/26/85/40/428268540.db2.gz ZRFZQDOAXXOVKL-HZPDHXFCSA-N 2 2 303.406 2.600 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)o2)cc1 ZINC000414873276 428441788 /nfs/dbraw/zinc/44/17/88/428441788.db2.gz XMWCHNNSJQOUHY-ZDUSSCGKSA-N 2 2 301.346 2.696 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+][C@H]3CCC[NH2+]C3)o2)c1 ZINC000414871360 428441946 /nfs/dbraw/zinc/44/19/46/428441946.db2.gz UNAGWFAXSMOZOS-ZDUSSCGKSA-N 2 2 301.346 2.696 20 5 DFBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@H]2CC[NH2+]C2)s1 ZINC000414889869 428448166 /nfs/dbraw/zinc/44/81/66/428448166.db2.gz ULNKMHBDPHTPJC-NSHDSACASA-N 2 2 303.387 2.775 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940094 428463844 /nfs/dbraw/zinc/46/38/44/428463844.db2.gz XEXBLYIMAUACFF-MLGOLLRUSA-N 2 2 315.373 2.942 20 5 DFBDLP C[N@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000348632201 428799228 /nfs/dbraw/zinc/79/92/28/428799228.db2.gz HKPOOGHLNWJGRM-UHFFFAOYSA-N 2 2 310.357 2.917 20 5 DFBDLP C[N@@H+](CCc1ccccc1[N+](=O)[O-])Cc1cccc2[nH+]ccn21 ZINC000348632201 428799229 /nfs/dbraw/zinc/79/92/29/428799229.db2.gz HKPOOGHLNWJGRM-UHFFFAOYSA-N 2 2 310.357 2.917 20 5 DFBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349533 429069332 /nfs/dbraw/zinc/06/93/32/429069332.db2.gz VYSNHFTXXOJIHX-KSSFIOAISA-N 2 2 311.385 2.883 20 5 DFBDLP CCOc1cc(C[N@H+](C)C2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000492488378 429550102 /nfs/dbraw/zinc/55/01/02/429550102.db2.gz ULMNLTLPVFJTHA-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCOc1cc(C[N@@H+](C)C2CC[NH+](CC)CC2)ccc1[N+](=O)[O-] ZINC000492488378 429550107 /nfs/dbraw/zinc/55/01/07/429550107.db2.gz ULMNLTLPVFJTHA-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000429535646 429615151 /nfs/dbraw/zinc/61/51/51/429615151.db2.gz CKQNOCCISMJSQB-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000429535646 429615154 /nfs/dbraw/zinc/61/51/54/429615154.db2.gz CKQNOCCISMJSQB-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP O=[N+]([O-])c1ccc([C@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000451551196 429852386 /nfs/dbraw/zinc/85/23/86/429852386.db2.gz TUGMPKLUEMBRLC-HNNXBMFYSA-N 2 2 300.362 2.671 20 5 DFBDLP O=[N+]([O-])c1ccc([C@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000451551196 429852389 /nfs/dbraw/zinc/85/23/89/429852389.db2.gz TUGMPKLUEMBRLC-HNNXBMFYSA-N 2 2 300.362 2.671 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000548635151 430486622 /nfs/dbraw/zinc/48/66/22/430486622.db2.gz RZTJXBJKFTVXEW-OLZOCXBDSA-N 2 2 300.362 2.765 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000363414796 289091955 /nfs/dbraw/zinc/09/19/55/289091955.db2.gz RPEPYALUFCZZRG-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000363414796 289091957 /nfs/dbraw/zinc/09/19/57/289091957.db2.gz RPEPYALUFCZZRG-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000363414796 289091958 /nfs/dbraw/zinc/09/19/58/289091958.db2.gz RPEPYALUFCZZRG-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000363414796 289091960 /nfs/dbraw/zinc/09/19/60/289091960.db2.gz RPEPYALUFCZZRG-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149591 302041515 /nfs/dbraw/zinc/04/15/15/302041515.db2.gz MTCQAQLQWXIYBM-HNNXBMFYSA-N 2 2 309.797 2.824 20 5 DFBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000563149591 302041517 /nfs/dbraw/zinc/04/15/17/302041517.db2.gz MTCQAQLQWXIYBM-HNNXBMFYSA-N 2 2 309.797 2.824 20 5 DFBDLP Cc1[nH+]cc(C[NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])n1C ZINC000563551068 302082327 /nfs/dbraw/zinc/08/23/27/302082327.db2.gz XAUWTYSFYPCYQW-UHFFFAOYSA-N 2 2 308.769 2.622 20 5 DFBDLP [NH3+]C[C@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414802257 316663276 /nfs/dbraw/zinc/66/32/76/316663276.db2.gz MQITWTUUCJUBBN-AWEZNQCLSA-N 2 2 318.402 2.545 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]CCCCn1cc[nH+]c1 ZINC000574823614 318043381 /nfs/dbraw/zinc/04/33/81/318043381.db2.gz VJQNUQSGAVDFLQ-OAHLLOKOSA-N 2 2 300.362 2.849 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578949721 318296472 /nfs/dbraw/zinc/29/64/72/318296472.db2.gz NYVXSFPNWUUEAO-STQMWFEESA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578949721 318296475 /nfs/dbraw/zinc/29/64/75/318296475.db2.gz NYVXSFPNWUUEAO-STQMWFEESA-N 2 2 300.362 2.879 20 5 DFBDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000156315918 527329663 /nfs/dbraw/zinc/32/96/63/527329663.db2.gz MEZNJVACBYUTQI-ZDUSSCGKSA-N 2 2 305.359 2.705 20 5 DFBDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000156315918 527329672 /nfs/dbraw/zinc/32/96/72/527329672.db2.gz MEZNJVACBYUTQI-ZDUSSCGKSA-N 2 2 305.359 2.705 20 5 DFBDLP C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000083174574 398384840 /nfs/dbraw/zinc/38/48/40/398384840.db2.gz YZIUQMUUYXXTKV-LBPRGKRZSA-N 2 2 318.377 2.510 20 5 DFBDLP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[NH+](C)C1 ZINC000083174574 398384841 /nfs/dbraw/zinc/38/48/41/398384841.db2.gz YZIUQMUUYXXTKV-LBPRGKRZSA-N 2 2 318.377 2.510 20 5 DFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[N@H+](C)C1 ZINC000083174574 398384845 /nfs/dbraw/zinc/38/48/45/398384845.db2.gz YZIUQMUUYXXTKV-LBPRGKRZSA-N 2 2 318.377 2.510 20 5 DFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@H]1CCC[N@@H+](C)C1 ZINC000083174574 398384847 /nfs/dbraw/zinc/38/48/47/398384847.db2.gz YZIUQMUUYXXTKV-LBPRGKRZSA-N 2 2 318.377 2.510 20 5 DFBDLP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883768 529811294 /nfs/dbraw/zinc/81/12/94/529811294.db2.gz YAFFLNHPHZMJMC-YXMMZVCTSA-N 2 2 301.390 2.636 20 5 DFBDLP C[N@H+]1CC[C@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883768 529811297 /nfs/dbraw/zinc/81/12/97/529811297.db2.gz YAFFLNHPHZMJMC-YXMMZVCTSA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@]2(CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883768 529811298 /nfs/dbraw/zinc/81/12/98/529811298.db2.gz YAFFLNHPHZMJMC-YXMMZVCTSA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883768 529811300 /nfs/dbraw/zinc/81/13/00/529811300.db2.gz YAFFLNHPHZMJMC-YXMMZVCTSA-N 2 2 301.390 2.636 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950652 398555223 /nfs/dbraw/zinc/55/52/23/398555223.db2.gz GUIFUGKLMRYABV-HUUCEWRRSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950652 398555229 /nfs/dbraw/zinc/55/52/29/398555229.db2.gz GUIFUGKLMRYABV-HUUCEWRRSA-N 2 2 319.405 2.567 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415060126 295853133 /nfs/dbraw/zinc/85/31/33/295853133.db2.gz XZKSRGCCWNCRNZ-FWOBMTDDSA-N 2 2 323.396 2.953 20 5 DFBDLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902519 213164126 /nfs/dbraw/zinc/16/41/26/213164126.db2.gz MAGTUFKWVAETPQ-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902519 213164128 /nfs/dbraw/zinc/16/41/28/213164128.db2.gz MAGTUFKWVAETPQ-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902519 213164130 /nfs/dbraw/zinc/16/41/30/213164130.db2.gz MAGTUFKWVAETPQ-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902519 213164133 /nfs/dbraw/zinc/16/41/33/213164133.db2.gz MAGTUFKWVAETPQ-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000594496624 398810235 /nfs/dbraw/zinc/81/02/35/398810235.db2.gz PTAOHCUYMKSYKK-DOMZBBRYSA-N 2 2 312.373 2.946 20 5 DFBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000594714331 398847509 /nfs/dbraw/zinc/84/75/09/398847509.db2.gz MYGZKZXBSIGIBF-QGZVFWFLSA-N 2 2 323.437 2.506 20 5 DFBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000594714331 398847511 /nfs/dbraw/zinc/84/75/11/398847511.db2.gz MYGZKZXBSIGIBF-QGZVFWFLSA-N 2 2 323.437 2.506 20 5 DFBDLP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594714331 398847515 /nfs/dbraw/zinc/84/75/15/398847515.db2.gz MYGZKZXBSIGIBF-QGZVFWFLSA-N 2 2 323.437 2.506 20 5 DFBDLP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594714331 398847518 /nfs/dbraw/zinc/84/75/18/398847518.db2.gz MYGZKZXBSIGIBF-QGZVFWFLSA-N 2 2 323.437 2.506 20 5 DFBDLP CC[C@@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594935912 398876365 /nfs/dbraw/zinc/87/63/65/398876365.db2.gz IDFWGOIHYFRNKA-OAHLLOKOSA-N 2 2 300.362 2.978 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000470179546 299292975 /nfs/dbraw/zinc/29/29/75/299292975.db2.gz YXDJBCAEEOYJLW-LOSYYMKXSA-N 2 2 301.390 2.682 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000470179546 299292978 /nfs/dbraw/zinc/29/29/78/299292978.db2.gz YXDJBCAEEOYJLW-LOSYYMKXSA-N 2 2 301.390 2.682 20 5 DFBDLP CN(CC[N@H+](C)C1CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599067183 398916247 /nfs/dbraw/zinc/91/62/47/398916247.db2.gz CYNZHHMFHQGYCQ-UHFFFAOYSA-N 2 2 300.362 2.673 20 5 DFBDLP CN(CC[N@@H+](C)C1CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599067183 398916249 /nfs/dbraw/zinc/91/62/49/398916249.db2.gz CYNZHHMFHQGYCQ-UHFFFAOYSA-N 2 2 300.362 2.673 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506726 398953357 /nfs/dbraw/zinc/95/33/57/398953357.db2.gz GZPVCETUQXJNRM-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595506726 398953359 /nfs/dbraw/zinc/95/33/59/398953359.db2.gz GZPVCETUQXJNRM-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595506726 398953363 /nfs/dbraw/zinc/95/33/63/398953363.db2.gz GZPVCETUQXJNRM-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595506726 398953367 /nfs/dbraw/zinc/95/33/67/398953367.db2.gz GZPVCETUQXJNRM-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712348 399120761 /nfs/dbraw/zinc/12/07/61/399120761.db2.gz XEWQINSVOLABHZ-MLGOLLRUSA-N 2 2 319.405 2.929 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906613 399130589 /nfs/dbraw/zinc/13/05/89/399130589.db2.gz MBUBPCZSMPXRIH-GJZGRUSLSA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595906613 399130592 /nfs/dbraw/zinc/13/05/92/399130592.db2.gz MBUBPCZSMPXRIH-GJZGRUSLSA-N 2 2 321.421 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@@H+]4CCCC[C@@H]4C3)c2c1 ZINC000601103563 399227452 /nfs/dbraw/zinc/22/74/52/399227452.db2.gz DSKKEILNAYQUMT-CQSZACIVSA-N 2 2 312.373 2.818 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@H+]4CCCC[C@@H]4C3)c2c1 ZINC000601103563 399227456 /nfs/dbraw/zinc/22/74/56/399227456.db2.gz DSKKEILNAYQUMT-CQSZACIVSA-N 2 2 312.373 2.818 20 5 DFBDLP Cc1c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000609157293 399307127 /nfs/dbraw/zinc/30/71/27/399307127.db2.gz BJIMWVQNTUKKJU-HNNXBMFYSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000609157293 399307131 /nfs/dbraw/zinc/30/71/31/399307131.db2.gz BJIMWVQNTUKKJU-HNNXBMFYSA-N 2 2 300.362 2.937 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257699 399310903 /nfs/dbraw/zinc/31/09/03/399310903.db2.gz CLPNZYGCCNLFKR-LBPRGKRZSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609257699 399310905 /nfs/dbraw/zinc/31/09/05/399310905.db2.gz CLPNZYGCCNLFKR-LBPRGKRZSA-N 2 2 304.325 2.768 20 5 DFBDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080813 399432860 /nfs/dbraw/zinc/43/28/60/399432860.db2.gz FDZAIMTXPYNGBQ-XIRDDKMYSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080813 399432864 /nfs/dbraw/zinc/43/28/64/399432864.db2.gz FDZAIMTXPYNGBQ-XIRDDKMYSA-N 2 2 317.433 2.990 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000602707191 399531088 /nfs/dbraw/zinc/53/10/88/399531088.db2.gz DNQSYVHTGRKQJR-SJORKVTESA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000602707191 399531091 /nfs/dbraw/zinc/53/10/91/399531091.db2.gz DNQSYVHTGRKQJR-SJORKVTESA-N 2 2 303.406 2.744 20 5 DFBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000602752349 399556287 /nfs/dbraw/zinc/55/62/87/399556287.db2.gz LRPPDMALUBAKJB-UKINESCASA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000602752349 399556292 /nfs/dbraw/zinc/55/62/92/399556292.db2.gz LRPPDMALUBAKJB-UKINESCASA-N 2 2 301.390 2.634 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091505 296377239 /nfs/dbraw/zinc/37/72/39/296377239.db2.gz XIPIAJXIZVXQQA-TVQRCGJNSA-N 2 2 317.311 2.701 20 5 DFBDLP CC[N@@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000133000571 285232283 /nfs/dbraw/zinc/23/22/83/285232283.db2.gz TXXPECLTBYEBPE-SJORKVTESA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000133000571 285232284 /nfs/dbraw/zinc/23/22/84/285232284.db2.gz TXXPECLTBYEBPE-SJORKVTESA-N 2 2 317.433 2.990 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057269 296582562 /nfs/dbraw/zinc/58/25/62/296582562.db2.gz ZROCDTRDXYFLNM-RLCCDNCMSA-N 2 2 303.406 2.905 20 5 DFBDLP CC[N@@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288979 286024979 /nfs/dbraw/zinc/02/49/79/286024979.db2.gz PVSRIDYFDQRNRU-BXUZGUMPSA-N 2 2 311.813 2.721 20 5 DFBDLP CC[N@H+]1C[C@@H](C)[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288979 286024983 /nfs/dbraw/zinc/02/49/83/286024983.db2.gz PVSRIDYFDQRNRU-BXUZGUMPSA-N 2 2 311.813 2.721 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524427 150373258 /nfs/dbraw/zinc/37/32/58/150373258.db2.gz WCJBGGMXYSJTSW-ZDUSSCGKSA-N 2 2 318.352 2.847 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524427 150373261 /nfs/dbraw/zinc/37/32/61/150373261.db2.gz WCJBGGMXYSJTSW-ZDUSSCGKSA-N 2 2 318.352 2.847 20 5 DFBDLP CC[C@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849909 296670280 /nfs/dbraw/zinc/67/02/80/296670280.db2.gz OGFSLMZYGOZOEJ-HIFRSBDPSA-N 2 2 300.362 2.847 20 5 DFBDLP CC(C)[N@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155736816 425925238 /nfs/dbraw/zinc/92/52/38/425925238.db2.gz TZSITWAUVKCERE-MRXNPFEDSA-N 2 2 305.422 2.846 20 5 DFBDLP CC(C)[N@@H+](C)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155736816 425925239 /nfs/dbraw/zinc/92/52/39/425925239.db2.gz TZSITWAUVKCERE-MRXNPFEDSA-N 2 2 305.422 2.846 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245478575 426742893 /nfs/dbraw/zinc/74/28/93/426742893.db2.gz VPGBINCBNHFROG-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245478575 426742898 /nfs/dbraw/zinc/74/28/98/426742898.db2.gz VPGBINCBNHFROG-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245478575 426742902 /nfs/dbraw/zinc/74/29/02/426742902.db2.gz VPGBINCBNHFROG-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245478575 426742906 /nfs/dbraw/zinc/74/29/06/426742906.db2.gz VPGBINCBNHFROG-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940856 427138551 /nfs/dbraw/zinc/13/85/51/427138551.db2.gz AGSKZFSZIPVWLW-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940856 427138558 /nfs/dbraw/zinc/13/85/58/427138558.db2.gz AGSKZFSZIPVWLW-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940856 427138564 /nfs/dbraw/zinc/13/85/64/427138564.db2.gz AGSKZFSZIPVWLW-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@H]21 ZINC000268940856 427138570 /nfs/dbraw/zinc/13/85/70/427138570.db2.gz AGSKZFSZIPVWLW-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP CC[N@H+](C)CCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301270709 427786077 /nfs/dbraw/zinc/78/60/77/427786077.db2.gz XNVSCCPHPLXDJL-UHFFFAOYSA-N 2 2 315.377 2.724 20 5 DFBDLP CC[N@@H+](C)CCNc1cc(C)[nH+]c(-c2cccc([N+](=O)[O-])c2)n1 ZINC000301270709 427786079 /nfs/dbraw/zinc/78/60/79/427786079.db2.gz XNVSCCPHPLXDJL-UHFFFAOYSA-N 2 2 315.377 2.724 20 5 DFBDLP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412790 428124336 /nfs/dbraw/zinc/12/43/36/428124336.db2.gz OUWGMLAOWQZGQO-TZMCWYRMSA-N 2 2 300.362 2.916 20 5 DFBDLP CC[C@@H]([NH2+][C@@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412790 428124341 /nfs/dbraw/zinc/12/43/41/428124341.db2.gz OUWGMLAOWQZGQO-TZMCWYRMSA-N 2 2 300.362 2.916 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000352780722 428246948 /nfs/dbraw/zinc/24/69/48/428246948.db2.gz VFCDKOGDAOCBHH-ZDUSSCGKSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)ccc1[N+](=O)[O-] ZINC000352780722 428246952 /nfs/dbraw/zinc/24/69/52/428246952.db2.gz VFCDKOGDAOCBHH-ZDUSSCGKSA-N 2 2 316.361 2.706 20 5 DFBDLP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347089341 428439925 /nfs/dbraw/zinc/43/99/25/428439925.db2.gz DSARFPVJBFEBFN-LBPRGKRZSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347089341 428439931 /nfs/dbraw/zinc/43/99/31/428439931.db2.gz DSARFPVJBFEBFN-LBPRGKRZSA-N 2 2 301.346 2.778 20 5 DFBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414922656 428460852 /nfs/dbraw/zinc/46/08/52/428460852.db2.gz CTVUIMDHZBBUIU-CYBMUJFWSA-N 2 2 314.389 2.800 20 5 DFBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(N(C)c2ccccc2)c([N+](=O)[O-])c1 ZINC000414937061 428462116 /nfs/dbraw/zinc/46/21/16/428462116.db2.gz CTVUIMDHZBBUIU-ZDUSSCGKSA-N 2 2 314.389 2.800 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)o2)c1 ZINC000414822004 428424923 /nfs/dbraw/zinc/42/49/23/428424923.db2.gz DFZJQHMDCHAWRX-ZDUSSCGKSA-N 2 2 301.346 2.696 20 5 DFBDLP C[N@@H+]1CCCC12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000375807595 428980865 /nfs/dbraw/zinc/98/08/65/428980865.db2.gz BXIMHZKFTYJNQU-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP C[N@H+]1CCCC12CC[NH+](CCOc1cccc([N+](=O)[O-])c1)CC2 ZINC000375807595 428980872 /nfs/dbraw/zinc/98/08/72/428980872.db2.gz BXIMHZKFTYJNQU-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@@H]1C ZINC000449079288 429324821 /nfs/dbraw/zinc/32/48/21/429324821.db2.gz OHMWVDAMISZCBM-CABCVRRESA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC[C@@H]1C ZINC000449079288 429324824 /nfs/dbraw/zinc/32/48/24/429324824.db2.gz OHMWVDAMISZCBM-CABCVRRESA-N 2 2 305.422 2.990 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000365631406 429354316 /nfs/dbraw/zinc/35/43/16/429354316.db2.gz QQDGSXFRRYVHMA-HNNXBMFYSA-N 2 2 314.389 2.750 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000365631406 429354320 /nfs/dbraw/zinc/35/43/20/429354320.db2.gz QQDGSXFRRYVHMA-HNNXBMFYSA-N 2 2 314.389 2.750 20 5 DFBDLP CC(C)[N@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194634 429354428 /nfs/dbraw/zinc/35/44/28/429354428.db2.gz VAURTIBPDHEAAS-FMKPAKJESA-N 2 2 305.422 2.844 20 5 DFBDLP CC(C)[N@@H+]1C[C@@H](C)[C@@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194634 429354434 /nfs/dbraw/zinc/35/44/34/429354434.db2.gz VAURTIBPDHEAAS-FMKPAKJESA-N 2 2 305.422 2.844 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000449192321 429354558 /nfs/dbraw/zinc/35/45/58/429354558.db2.gz UMBVRLJGAPRFEI-UMVBOHGHSA-N 2 2 303.406 2.741 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000449192321 429354561 /nfs/dbraw/zinc/35/45/61/429354561.db2.gz UMBVRLJGAPRFEI-UMVBOHGHSA-N 2 2 303.406 2.741 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000427839249 429473534 /nfs/dbraw/zinc/47/35/34/429473534.db2.gz DHDJXIANUGFWSR-OLZOCXBDSA-N 2 2 300.362 2.765 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427862216 429476035 /nfs/dbraw/zinc/47/60/35/429476035.db2.gz VLFOGKYEJTVRNF-ZFWWWQNUSA-N 2 2 314.389 2.717 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000194538359 276053297 /nfs/dbraw/zinc/05/32/97/276053297.db2.gz WYAJETLTIUEXON-GASCZTMLSA-N 2 2 303.406 2.712 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000194538359 276053298 /nfs/dbraw/zinc/05/32/98/276053298.db2.gz WYAJETLTIUEXON-GASCZTMLSA-N 2 2 303.406 2.712 20 5 DFBDLP CC(C)c1ccc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000194538359 276053299 /nfs/dbraw/zinc/05/32/99/276053299.db2.gz WYAJETLTIUEXON-GASCZTMLSA-N 2 2 303.406 2.712 20 5 DFBDLP CC(C)c1ccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1[N+](=O)[O-] ZINC000194538359 276053300 /nfs/dbraw/zinc/05/33/00/276053300.db2.gz WYAJETLTIUEXON-GASCZTMLSA-N 2 2 303.406 2.712 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000430567749 429694558 /nfs/dbraw/zinc/69/45/58/429694558.db2.gz UYGGWUDRQDRHEU-UHFFFAOYSA-N 2 2 309.410 2.799 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430567749 429694562 /nfs/dbraw/zinc/69/45/62/429694562.db2.gz UYGGWUDRQDRHEU-UHFFFAOYSA-N 2 2 309.410 2.799 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701066 429702841 /nfs/dbraw/zinc/70/28/41/429702841.db2.gz KBAHEEIWYDSVCI-NSHDSACASA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2Cl)C1 ZINC000367701066 429702845 /nfs/dbraw/zinc/70/28/45/429702845.db2.gz KBAHEEIWYDSVCI-NSHDSACASA-N 2 2 320.780 2.971 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000557329187 429936673 /nfs/dbraw/zinc/93/66/73/429936673.db2.gz GAQHDGLLLYRGOV-CABCVRRESA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000557329187 429936677 /nfs/dbraw/zinc/93/66/77/429936677.db2.gz GAQHDGLLLYRGOV-CABCVRRESA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000437973226 297076230 /nfs/dbraw/zinc/07/62/30/297076230.db2.gz GCHPSYZLUMODGS-AWEZNQCLSA-N 2 2 304.325 2.595 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000437973226 297076231 /nfs/dbraw/zinc/07/62/31/297076231.db2.gz GCHPSYZLUMODGS-AWEZNQCLSA-N 2 2 304.325 2.595 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000449178783 297418448 /nfs/dbraw/zinc/41/84/48/297418448.db2.gz UPKKEVYGBLLJBX-XJKSGUPXSA-N 2 2 323.462 2.553 20 5 DFBDLP C[N@@H+]1CCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305203 302060718 /nfs/dbraw/zinc/06/07/18/302060718.db2.gz OKQVXONCOBRCGN-GFCCVEGCSA-N 2 2 300.362 2.897 20 5 DFBDLP C[N@H+]1CCC[C@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305203 302060721 /nfs/dbraw/zinc/06/07/21/302060721.db2.gz OKQVXONCOBRCGN-GFCCVEGCSA-N 2 2 300.362 2.897 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413140 302284751 /nfs/dbraw/zinc/28/47/51/302284751.db2.gz BPLDIXRKCJQJFG-SNVBAGLBSA-N 2 2 322.315 2.596 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(F)cc([N+](=O)[O-])cc2F)C1 ZINC000566413140 302284753 /nfs/dbraw/zinc/28/47/53/302284753.db2.gz BPLDIXRKCJQJFG-SNVBAGLBSA-N 2 2 322.315 2.596 20 5 DFBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414788243 316657329 /nfs/dbraw/zinc/65/73/29/316657329.db2.gz DBGMBRLQLKNKMS-OAHLLOKOSA-N 2 2 303.362 2.928 20 5 DFBDLP C[C@@H](C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449555880 317043302 /nfs/dbraw/zinc/04/33/02/317043302.db2.gz KANBCYJHFQUYSM-LZWOXQAQSA-N 2 2 305.422 2.846 20 5 DFBDLP C[C@@H](C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449555878 317043356 /nfs/dbraw/zinc/04/33/56/317043356.db2.gz KANBCYJHFQUYSM-DZKIICNBSA-N 2 2 305.422 2.846 20 5 DFBDLP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426221 398424404 /nfs/dbraw/zinc/42/44/04/398424404.db2.gz NBHMKONTVDEXNJ-JKSUJKDBSA-N 2 2 303.406 2.867 20 5 DFBDLP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000592426221 398424406 /nfs/dbraw/zinc/42/44/06/398424406.db2.gz NBHMKONTVDEXNJ-JKSUJKDBSA-N 2 2 303.406 2.867 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000592485759 398432798 /nfs/dbraw/zinc/43/27/98/398432798.db2.gz YBPURHAGLRJYPR-UHFFFAOYSA-N 2 2 307.394 2.695 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046997 398475401 /nfs/dbraw/zinc/47/54/01/398475401.db2.gz KKZGMOUCKMSCOU-ZFWWWQNUSA-N 2 2 321.421 2.665 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000594496627 398810305 /nfs/dbraw/zinc/81/03/05/398810305.db2.gz PTAOHCUYMKSYKK-WFASDCNBSA-N 2 2 312.373 2.946 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000051953631 398828302 /nfs/dbraw/zinc/82/83/02/398828302.db2.gz VKNLEUMMHVHRIE-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000595017267 398892671 /nfs/dbraw/zinc/89/26/71/398892671.db2.gz LFMZACRTQUEFHD-ZIAGYGMSSA-N 2 2 321.421 2.986 20 5 DFBDLP CN(C[C@@H]1CCC[N@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045211 398912362 /nfs/dbraw/zinc/91/23/62/398912362.db2.gz GSYLDONBUKEDSG-CYBMUJFWSA-N 2 2 314.389 2.921 20 5 DFBDLP CN(C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045211 398912364 /nfs/dbraw/zinc/91/23/64/398912364.db2.gz GSYLDONBUKEDSG-CYBMUJFWSA-N 2 2 314.389 2.921 20 5 DFBDLP COCC[N@@H+](C)CC[NH2+][C@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347921 296012459 /nfs/dbraw/zinc/01/24/59/296012459.db2.gz XXBGBQHCESOWOP-KRWDZBQOSA-N 2 2 321.421 2.530 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596058121 399157497 /nfs/dbraw/zinc/15/74/97/399157497.db2.gz DCONFUWVELNKSN-CQSZACIVSA-N 2 2 321.396 2.946 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596058121 399157499 /nfs/dbraw/zinc/15/74/99/399157499.db2.gz DCONFUWVELNKSN-CQSZACIVSA-N 2 2 321.396 2.946 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[NH+](CC4CC4)CC3)c2c1 ZINC000601105203 399227722 /nfs/dbraw/zinc/22/77/22/399227722.db2.gz DELMNIILNSNURA-UHFFFAOYSA-N 2 2 312.373 2.675 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000267431679 206060913 /nfs/dbraw/zinc/06/09/13/206060913.db2.gz MRNPAZSUBUCDQE-ZDUSSCGKSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000267431679 206060915 /nfs/dbraw/zinc/06/09/15/206060915.db2.gz MRNPAZSUBUCDQE-ZDUSSCGKSA-N 2 2 316.361 2.706 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267455931 206081825 /nfs/dbraw/zinc/08/18/25/206081825.db2.gz RRMWTEQRBLYGFH-HNNXBMFYSA-N 2 2 318.352 2.903 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1F ZINC000267455931 206081828 /nfs/dbraw/zinc/08/18/28/206081828.db2.gz RRMWTEQRBLYGFH-HNNXBMFYSA-N 2 2 318.352 2.903 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611475787 399479812 /nfs/dbraw/zinc/47/98/12/399479812.db2.gz HOHQFGWVCPEOKK-OFQRWUPVSA-N 2 2 305.422 2.846 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611475787 399479813 /nfs/dbraw/zinc/47/98/13/399479813.db2.gz HOHQFGWVCPEOKK-OFQRWUPVSA-N 2 2 305.422 2.846 20 5 DFBDLP CC[N@H+]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000611475786 399480100 /nfs/dbraw/zinc/48/01/00/399480100.db2.gz HOHQFGWVCPEOKK-LZWOXQAQSA-N 2 2 305.422 2.846 20 5 DFBDLP CC[N@@H+]1C[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000611475786 399480102 /nfs/dbraw/zinc/48/01/02/399480102.db2.gz HOHQFGWVCPEOKK-LZWOXQAQSA-N 2 2 305.422 2.846 20 5 DFBDLP CC1=CC[N@H+](CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000358132106 148253993 /nfs/dbraw/zinc/25/39/93/148253993.db2.gz GLSXPLXHEQNUKZ-XQRVVYSFSA-N 2 2 301.390 2.850 20 5 DFBDLP CC1=CC[N@@H+](CC[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000358132106 148253996 /nfs/dbraw/zinc/25/39/96/148253996.db2.gz GLSXPLXHEQNUKZ-XQRVVYSFSA-N 2 2 301.390 2.850 20 5 DFBDLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000352453393 286377973 /nfs/dbraw/zinc/37/79/73/286377973.db2.gz NHFAGGYMDFMDJE-UHFFFAOYSA-N 2 2 312.329 2.878 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248066403 158160440 /nfs/dbraw/zinc/16/04/40/158160440.db2.gz ZOUGJTQJCVXBEO-PBHICJAKSA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248066403 158160442 /nfs/dbraw/zinc/16/04/42/158160442.db2.gz ZOUGJTQJCVXBEO-PBHICJAKSA-N 2 2 321.421 2.602 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000248131910 158162043 /nfs/dbraw/zinc/16/20/43/158162043.db2.gz ONRBCXOJFWUGSJ-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000248131910 158162046 /nfs/dbraw/zinc/16/20/46/158162046.db2.gz ONRBCXOJFWUGSJ-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248131910 158162048 /nfs/dbraw/zinc/16/20/48/158162048.db2.gz ONRBCXOJFWUGSJ-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248131910 158162050 /nfs/dbraw/zinc/16/20/50/158162050.db2.gz ONRBCXOJFWUGSJ-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)C1CC1 ZINC000130746817 426162803 /nfs/dbraw/zinc/16/28/03/426162803.db2.gz WCVVEFKLAVLKMF-SUMWQHHRSA-N 2 2 317.433 2.988 20 5 DFBDLP C[C@@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)C1CC1 ZINC000130746817 426162806 /nfs/dbraw/zinc/16/28/06/426162806.db2.gz WCVVEFKLAVLKMF-SUMWQHHRSA-N 2 2 317.433 2.988 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178320959 426605946 /nfs/dbraw/zinc/60/59/46/426605946.db2.gz NZJHIYKXEOBGFP-MRXNPFEDSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178320959 426605947 /nfs/dbraw/zinc/60/59/47/426605947.db2.gz NZJHIYKXEOBGFP-MRXNPFEDSA-N 2 2 300.362 2.764 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332207 426609042 /nfs/dbraw/zinc/60/90/42/426609042.db2.gz ZOUGJTQJCVXBEO-YOEHRIQHSA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332207 426609046 /nfs/dbraw/zinc/60/90/46/426609046.db2.gz ZOUGJTQJCVXBEO-YOEHRIQHSA-N 2 2 321.421 2.602 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCC1 ZINC000275800623 426921600 /nfs/dbraw/zinc/92/16/00/426921600.db2.gz YKMMOIHXNKSWRG-AWEZNQCLSA-N 2 2 305.422 2.990 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000276363531 427045271 /nfs/dbraw/zinc/04/52/71/427045271.db2.gz ZHJHJWYVPQHZDD-AWEZNQCLSA-N 2 2 307.369 2.652 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1F ZINC000276363531 427045275 /nfs/dbraw/zinc/04/52/75/427045275.db2.gz ZHJHJWYVPQHZDD-AWEZNQCLSA-N 2 2 307.369 2.652 20 5 DFBDLP COc1cc(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000343754774 272212891 /nfs/dbraw/zinc/21/28/91/272212891.db2.gz WCWKDGIJQAOJFY-UHFFFAOYSA-N 2 2 319.405 2.664 20 5 DFBDLP COc1cc(C[NH+]2CCC3(CCC[N@H+]3C)CC2)ccc1[N+](=O)[O-] ZINC000343754774 272212894 /nfs/dbraw/zinc/21/28/94/272212894.db2.gz WCWKDGIJQAOJFY-UHFFFAOYSA-N 2 2 319.405 2.664 20 5 DFBDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369884258 428084044 /nfs/dbraw/zinc/08/40/44/428084044.db2.gz YKRANRLAFKTXRA-GXTWGEPZSA-N 2 2 300.362 2.765 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352541508 428142509 /nfs/dbraw/zinc/14/25/09/428142509.db2.gz YNWOJJCIXFTZIX-HNNXBMFYSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352541508 428142515 /nfs/dbraw/zinc/14/25/15/428142515.db2.gz YNWOJJCIXFTZIX-HNNXBMFYSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000370210126 428158580 /nfs/dbraw/zinc/15/85/80/428158580.db2.gz NTSTZQLOVRPXKV-CQSZACIVSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000370210126 428158585 /nfs/dbraw/zinc/15/85/85/428158585.db2.gz NTSTZQLOVRPXKV-CQSZACIVSA-N 2 2 319.405 2.521 20 5 DFBDLP O=[N+]([O-])c1cc(CNc2ccc(Cn3cc[nH+]c3)c[nH+]2)cs1 ZINC000353122836 428391309 /nfs/dbraw/zinc/39/13/09/428391309.db2.gz HCVBUTZHNJKPTD-UHFFFAOYSA-N 2 2 315.358 2.908 20 5 DFBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414785926 428409474 /nfs/dbraw/zinc/40/94/74/428409474.db2.gz AEGZXRYLRWSDDT-HNNXBMFYSA-N 2 2 303.362 2.928 20 5 DFBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)CCC1 ZINC000414879822 428442946 /nfs/dbraw/zinc/44/29/46/428442946.db2.gz IYBQOKLFYAHSJZ-UHFFFAOYSA-N 2 2 301.346 2.826 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928660 428458727 /nfs/dbraw/zinc/45/87/27/428458727.db2.gz NDLCKENXFDQNLG-BLLLJJGKSA-N 2 2 315.373 2.942 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545862 428969566 /nfs/dbraw/zinc/96/95/66/428969566.db2.gz DWNWFBAUHHGIKN-OCCSQVGLSA-N 2 2 307.394 2.786 20 5 DFBDLP CCC[C@H]([NH2+]C[C@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437923 429088450 /nfs/dbraw/zinc/08/84/50/429088450.db2.gz UPACERXIWOKQBA-IRXDYDNUSA-N 2 2 321.421 2.794 20 5 DFBDLP C[C@@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154759 429137202 /nfs/dbraw/zinc/13/72/02/429137202.db2.gz HYAJRJDXPSSBAJ-NOZJJQNGSA-N 2 2 317.311 2.653 20 5 DFBDLP C[C@@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154759 429137206 /nfs/dbraw/zinc/13/72/06/429137206.db2.gz HYAJRJDXPSSBAJ-NOZJJQNGSA-N 2 2 317.311 2.653 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000449071360 429323419 /nfs/dbraw/zinc/32/34/19/429323419.db2.gz BFNOVTKDCCVVFB-GJZGRUSLSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142990 429341932 /nfs/dbraw/zinc/34/19/32/429341932.db2.gz PHHVTUYUTPVNQN-GDBMZVCRSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142990 429341933 /nfs/dbraw/zinc/34/19/33/429341933.db2.gz PHHVTUYUTPVNQN-GDBMZVCRSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[C@@H]([NH2+][C@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849908 429473319 /nfs/dbraw/zinc/47/33/19/429473319.db2.gz OGFSLMZYGOZOEJ-DZGCQCFKSA-N 2 2 300.362 2.847 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033066 429484676 /nfs/dbraw/zinc/48/46/76/429484676.db2.gz AKDQBMXLMSFSQO-XJKSGUPXSA-N 2 2 319.405 2.566 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428033066 429484680 /nfs/dbraw/zinc/48/46/80/429484680.db2.gz AKDQBMXLMSFSQO-XJKSGUPXSA-N 2 2 319.405 2.566 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000367698726 429702918 /nfs/dbraw/zinc/70/29/18/429702918.db2.gz FQYUKFQFODAHRV-GFCCVEGCSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2Cl)C1 ZINC000367698726 429702922 /nfs/dbraw/zinc/70/29/22/429702922.db2.gz FQYUKFQFODAHRV-GFCCVEGCSA-N 2 2 320.780 2.971 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368590770 429872997 /nfs/dbraw/zinc/87/29/97/429872997.db2.gz DXSQCOJOYBSVDA-CQSZACIVSA-N 2 2 300.362 2.626 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000368590770 429873001 /nfs/dbraw/zinc/87/30/01/429873001.db2.gz DXSQCOJOYBSVDA-CQSZACIVSA-N 2 2 300.362 2.626 20 5 DFBDLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587630 430221441 /nfs/dbraw/zinc/22/14/41/430221441.db2.gz RAUWNNQICBHGSK-GJZGRUSLSA-N 2 2 323.441 2.597 20 5 DFBDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587630 430221446 /nfs/dbraw/zinc/22/14/46/430221446.db2.gz RAUWNNQICBHGSK-GJZGRUSLSA-N 2 2 323.441 2.597 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363414795 289092331 /nfs/dbraw/zinc/09/23/31/289092331.db2.gz RPEPYALUFCZZRG-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363414795 289092336 /nfs/dbraw/zinc/09/23/36/289092336.db2.gz RPEPYALUFCZZRG-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363414795 289092339 /nfs/dbraw/zinc/09/23/39/289092339.db2.gz RPEPYALUFCZZRG-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000363414795 289092342 /nfs/dbraw/zinc/09/23/42/289092342.db2.gz RPEPYALUFCZZRG-DJIMGWMZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000437973227 297075798 /nfs/dbraw/zinc/07/57/98/297075798.db2.gz GCHPSYZLUMODGS-CQSZACIVSA-N 2 2 304.325 2.595 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2)c(F)c1 ZINC000437973227 297075799 /nfs/dbraw/zinc/07/57/99/297075799.db2.gz GCHPSYZLUMODGS-CQSZACIVSA-N 2 2 304.325 2.595 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316063 301252989 /nfs/dbraw/zinc/25/29/89/301252989.db2.gz SXLJJZRLJNCXLN-OCCSQVGLSA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316063 301252992 /nfs/dbraw/zinc/25/29/92/301252992.db2.gz SXLJJZRLJNCXLN-OCCSQVGLSA-N 2 2 300.362 2.879 20 5 DFBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369149 523829121 /nfs/dbraw/zinc/82/91/21/523829121.db2.gz IILNBVHTTGZNDL-HUUCEWRRSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369149 523829126 /nfs/dbraw/zinc/82/91/26/523829126.db2.gz IILNBVHTTGZNDL-HUUCEWRRSA-N 2 2 321.421 2.665 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090910 527460845 /nfs/dbraw/zinc/46/08/45/527460845.db2.gz TVNYBGKESNEXAH-GFCCVEGCSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090910 527460857 /nfs/dbraw/zinc/46/08/57/527460857.db2.gz TVNYBGKESNEXAH-GFCCVEGCSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090913 527471572 /nfs/dbraw/zinc/47/15/72/527471572.db2.gz TVNYBGKESNEXAH-LBPRGKRZSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2ccc(Cl)c([N+](=O)[O-])c2)C1 ZINC000365090913 527471576 /nfs/dbraw/zinc/47/15/76/527471576.db2.gz TVNYBGKESNEXAH-LBPRGKRZSA-N 2 2 320.780 2.971 20 5 DFBDLP CC(C)c1ccc(C[NH2+]CCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000459659492 299157826 /nfs/dbraw/zinc/15/78/26/299157826.db2.gz KEBWAQSYTQFQLW-UHFFFAOYSA-N 2 2 302.378 2.784 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414838459 295824495 /nfs/dbraw/zinc/82/44/95/295824495.db2.gz IDSNMBHPCGAAPE-UHFFFAOYSA-N 2 2 307.394 2.745 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@@H]3CCC[NH2+]3)o2)cc1 ZINC000414852111 295826145 /nfs/dbraw/zinc/82/61/45/295826145.db2.gz VLUKVTDUKOXTEL-ZDUSSCGKSA-N 2 2 301.346 2.696 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727671 398677803 /nfs/dbraw/zinc/67/78/03/398677803.db2.gz PRTZOMWHEIXTSH-KGLIPLIRSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000593727671 398677806 /nfs/dbraw/zinc/67/78/06/398677806.db2.gz PRTZOMWHEIXTSH-KGLIPLIRSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCc4c[nH+]cn4C3)c2c1 ZINC000591160413 398734261 /nfs/dbraw/zinc/73/42/61/398734261.db2.gz QAOALMXDWBCQBS-LBPRGKRZSA-N 2 2 309.329 2.766 20 5 DFBDLP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897067 213161197 /nfs/dbraw/zinc/16/11/97/213161197.db2.gz LATOYOVPJHYUSV-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897067 213161198 /nfs/dbraw/zinc/16/11/98/213161198.db2.gz LATOYOVPJHYUSV-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897067 213161201 /nfs/dbraw/zinc/16/12/01/213161201.db2.gz LATOYOVPJHYUSV-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897067 213161202 /nfs/dbraw/zinc/16/12/02/213161202.db2.gz LATOYOVPJHYUSV-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000594496625 398810288 /nfs/dbraw/zinc/81/02/88/398810288.db2.gz PTAOHCUYMKSYKK-IUODEOHRSA-N 2 2 312.373 2.946 20 5 DFBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000594714330 398847453 /nfs/dbraw/zinc/84/74/53/398847453.db2.gz MYGZKZXBSIGIBF-KRWDZBQOSA-N 2 2 323.437 2.506 20 5 DFBDLP CC(C)[NH+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000594714330 398847455 /nfs/dbraw/zinc/84/74/55/398847455.db2.gz MYGZKZXBSIGIBF-KRWDZBQOSA-N 2 2 323.437 2.506 20 5 DFBDLP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594714330 398847458 /nfs/dbraw/zinc/84/74/58/398847458.db2.gz MYGZKZXBSIGIBF-KRWDZBQOSA-N 2 2 323.437 2.506 20 5 DFBDLP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C(C)C ZINC000594714330 398847460 /nfs/dbraw/zinc/84/74/60/398847460.db2.gz MYGZKZXBSIGIBF-KRWDZBQOSA-N 2 2 323.437 2.506 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c3n2CCC3)cc1[N+](=O)[O-] ZINC000594942079 398877366 /nfs/dbraw/zinc/87/73/66/398877366.db2.gz WESQYDBYEWTEKT-LBPRGKRZSA-N 2 2 300.362 2.897 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@@H](C)Cn1cc[nH+]c1 ZINC000595005571 398890034 /nfs/dbraw/zinc/89/00/34/398890034.db2.gz ASQNVXFUPRCARC-NWDGAFQWSA-N 2 2 304.350 2.539 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000595015979 398892290 /nfs/dbraw/zinc/89/22/90/398892290.db2.gz FRXKYJPOWWSUBW-QWHCGFSZSA-N 2 2 307.394 2.596 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000595015979 398892294 /nfs/dbraw/zinc/89/22/94/398892294.db2.gz FRXKYJPOWWSUBW-QWHCGFSZSA-N 2 2 307.394 2.596 20 5 DFBDLP CC[N@H+](C)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599053494 398914107 /nfs/dbraw/zinc/91/41/07/398914107.db2.gz UJOMXBXPBOOBEP-ZDUSSCGKSA-N 2 2 314.389 2.921 20 5 DFBDLP CC[N@@H+](C)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599053494 398914111 /nfs/dbraw/zinc/91/41/11/398914111.db2.gz UJOMXBXPBOOBEP-ZDUSSCGKSA-N 2 2 314.389 2.921 20 5 DFBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599087531 398919703 /nfs/dbraw/zinc/91/97/03/398919703.db2.gz JEWMKUNOZHOSRI-PVAVHDDUSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599087531 398919706 /nfs/dbraw/zinc/91/97/06/398919706.db2.gz JEWMKUNOZHOSRI-PVAVHDDUSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333472 398923733 /nfs/dbraw/zinc/92/37/33/398923733.db2.gz UHVCFRWCZMTDPF-CQSZACIVSA-N 2 2 321.396 2.898 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333472 398923735 /nfs/dbraw/zinc/92/37/35/398923735.db2.gz UHVCFRWCZMTDPF-CQSZACIVSA-N 2 2 321.396 2.898 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333472 398923737 /nfs/dbraw/zinc/92/37/37/398923737.db2.gz UHVCFRWCZMTDPF-CQSZACIVSA-N 2 2 321.396 2.898 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595333472 398923738 /nfs/dbraw/zinc/92/37/38/398923738.db2.gz UHVCFRWCZMTDPF-CQSZACIVSA-N 2 2 321.396 2.898 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153226917 398935222 /nfs/dbraw/zinc/93/52/22/398935222.db2.gz HOMAYXAFTPGLGW-HIFRSBDPSA-N 2 2 321.421 2.522 20 5 DFBDLP Cc1c(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508861 398953040 /nfs/dbraw/zinc/95/30/40/398953040.db2.gz YXSZCEOZANESKC-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508861 398953041 /nfs/dbraw/zinc/95/30/41/398953041.db2.gz YXSZCEOZANESKC-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508861 398953042 /nfs/dbraw/zinc/95/30/42/398953042.db2.gz YXSZCEOZANESKC-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cccc1[N+](=O)[O-] ZINC000595508861 398953043 /nfs/dbraw/zinc/95/30/43/398953043.db2.gz YXSZCEOZANESKC-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600723593 399125069 /nfs/dbraw/zinc/12/50/69/399125069.db2.gz CKWBRILZTBTHFE-AAEUAGOBSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600723593 399125074 /nfs/dbraw/zinc/12/50/74/399125074.db2.gz CKWBRILZTBTHFE-AAEUAGOBSA-N 2 2 317.311 2.554 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904789 399129499 /nfs/dbraw/zinc/12/94/99/399129499.db2.gz LACLIIVYCUWADR-RHSMWYFYSA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904789 399129503 /nfs/dbraw/zinc/12/95/03/399129503.db2.gz LACLIIVYCUWADR-RHSMWYFYSA-N 2 2 321.421 2.698 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420385820 296184497 /nfs/dbraw/zinc/18/44/97/296184497.db2.gz FJCOYEZURBCUHY-CZUORRHYSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420385820 296184498 /nfs/dbraw/zinc/18/44/98/296184498.db2.gz FJCOYEZURBCUHY-CZUORRHYSA-N 2 2 319.405 2.567 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397647 296186056 /nfs/dbraw/zinc/18/60/56/296186056.db2.gz MTEHHMBSFGCHAA-IUODEOHRSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420397647 296186057 /nfs/dbraw/zinc/18/60/57/296186057.db2.gz MTEHHMBSFGCHAA-IUODEOHRSA-N 2 2 307.369 2.698 20 5 DFBDLP CN(CCCn1cc[nH+]c1)c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601131762 399236502 /nfs/dbraw/zinc/23/65/02/399236502.db2.gz PYLTVTBLDJDNBG-UHFFFAOYSA-N 2 2 311.345 2.866 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000345777407 284749269 /nfs/dbraw/zinc/74/92/69/284749269.db2.gz SQPRDHRQIYGBSD-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000602723468 399539658 /nfs/dbraw/zinc/53/96/58/399539658.db2.gz BIHCPTCAXDUKPN-QGZVFWFLSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000602723468 399539661 /nfs/dbraw/zinc/53/96/61/399539661.db2.gz BIHCPTCAXDUKPN-QGZVFWFLSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000286469045 219005949 /nfs/dbraw/zinc/00/59/49/219005949.db2.gz PDPBWGPHYRDUGX-UHFFFAOYSA-N 2 2 322.315 2.976 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CCCn1cc[nH+]c1 ZINC000271598816 209046047 /nfs/dbraw/zinc/04/60/47/209046047.db2.gz AGCYIQLZTUTTDD-UHFFFAOYSA-N 2 2 318.377 2.712 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CCCn1cc[nH+]c1 ZINC000271598816 209046051 /nfs/dbraw/zinc/04/60/51/209046051.db2.gz AGCYIQLZTUTTDD-UHFFFAOYSA-N 2 2 318.377 2.712 20 5 DFBDLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575217 146234224 /nfs/dbraw/zinc/23/42/24/146234224.db2.gz OTSYCICUKFOTAZ-DDJMYBDESA-N 2 2 303.406 2.882 20 5 DFBDLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575217 146234227 /nfs/dbraw/zinc/23/42/27/146234227.db2.gz OTSYCICUKFOTAZ-DDJMYBDESA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575217 146234230 /nfs/dbraw/zinc/23/42/30/146234230.db2.gz OTSYCICUKFOTAZ-DDJMYBDESA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575217 146234231 /nfs/dbraw/zinc/23/42/31/146234231.db2.gz OTSYCICUKFOTAZ-DDJMYBDESA-N 2 2 303.406 2.882 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000248131914 158161544 /nfs/dbraw/zinc/16/15/44/158161544.db2.gz ONRBCXOJFWUGSJ-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000248131914 158161546 /nfs/dbraw/zinc/16/15/46/158161546.db2.gz ONRBCXOJFWUGSJ-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248131914 158161548 /nfs/dbraw/zinc/16/15/48/158161548.db2.gz ONRBCXOJFWUGSJ-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000248131914 158161550 /nfs/dbraw/zinc/16/15/50/158161550.db2.gz ONRBCXOJFWUGSJ-LSDHHAIUSA-N 2 2 319.405 2.520 20 5 DFBDLP CC[N@H+](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000155823198 425927871 /nfs/dbraw/zinc/92/78/71/425927871.db2.gz WNESBYFCLKQXCN-KRWDZBQOSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@@H+](CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000155823198 425927873 /nfs/dbraw/zinc/92/78/73/425927873.db2.gz WNESBYFCLKQXCN-KRWDZBQOSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076004349 426094048 /nfs/dbraw/zinc/09/40/48/426094048.db2.gz GFSFUXLSXDLNFG-HNNXBMFYSA-N 2 2 321.421 2.637 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000076004349 426094050 /nfs/dbraw/zinc/09/40/50/426094050.db2.gz GFSFUXLSXDLNFG-HNNXBMFYSA-N 2 2 321.421 2.637 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332196 426608139 /nfs/dbraw/zinc/60/81/39/426608139.db2.gz ZOUGJTQJCVXBEO-WMLDXEAASA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000178332196 426608143 /nfs/dbraw/zinc/60/81/43/426608143.db2.gz ZOUGJTQJCVXBEO-WMLDXEAASA-N 2 2 321.421 2.602 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613825 427274464 /nfs/dbraw/zinc/27/44/64/427274464.db2.gz RPHWUPZIJDADGO-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613825 427274470 /nfs/dbraw/zinc/27/44/70/427274470.db2.gz RPHWUPZIJDADGO-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613825 427274476 /nfs/dbraw/zinc/27/44/76/427274476.db2.gz RPHWUPZIJDADGO-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)C[C@H]1C ZINC000330613825 427274483 /nfs/dbraw/zinc/27/44/83/427274483.db2.gz RPHWUPZIJDADGO-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000337280172 427830344 /nfs/dbraw/zinc/83/03/44/427830344.db2.gz UYMFGHCPHPRALK-UHFFFAOYSA-N 2 2 307.394 2.521 20 5 DFBDLP COc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000337280172 427830345 /nfs/dbraw/zinc/83/03/45/427830345.db2.gz UYMFGHCPHPRALK-UHFFFAOYSA-N 2 2 307.394 2.521 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCn4cc[nH+]c4C3)c2c1 ZINC000413248158 427999471 /nfs/dbraw/zinc/99/94/71/427999471.db2.gz JRFJRNVLUVIGCV-LBPRGKRZSA-N 2 2 309.329 2.766 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377778554 428224548 /nfs/dbraw/zinc/22/45/48/428224548.db2.gz KFVFRRDXQZEZIG-JTQLQIEISA-N 2 2 306.753 2.618 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377778554 428224552 /nfs/dbraw/zinc/22/45/52/428224552.db2.gz KFVFRRDXQZEZIG-JTQLQIEISA-N 2 2 306.753 2.618 20 5 DFBDLP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414855065 428435930 /nfs/dbraw/zinc/43/59/30/428435930.db2.gz VWNYQNWLTCCKEF-CQSZACIVSA-N 2 2 307.394 2.601 20 5 DFBDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347089338 428440094 /nfs/dbraw/zinc/44/00/94/428440094.db2.gz DSARFPVJBFEBFN-GFCCVEGCSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000347089338 428440100 /nfs/dbraw/zinc/44/01/00/428440100.db2.gz DSARFPVJBFEBFN-GFCCVEGCSA-N 2 2 301.346 2.778 20 5 DFBDLP C[C@H](C[NH+]1CCCCC1)[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449071362 429324314 /nfs/dbraw/zinc/32/43/14/429324314.db2.gz BFNOVTKDCCVVFB-LSDHHAIUSA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449188010 429352214 /nfs/dbraw/zinc/35/22/14/429352214.db2.gz FLJTXRLAJQKCJH-ZENOOKHLSA-N 2 2 303.406 2.598 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449188010 429352216 /nfs/dbraw/zinc/35/22/16/429352216.db2.gz FLJTXRLAJQKCJH-ZENOOKHLSA-N 2 2 303.406 2.598 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033064 429485427 /nfs/dbraw/zinc/48/54/27/429485427.db2.gz AKDQBMXLMSFSQO-CZUORRHYSA-N 2 2 319.405 2.566 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428033064 429485431 /nfs/dbraw/zinc/48/54/31/429485431.db2.gz AKDQBMXLMSFSQO-CZUORRHYSA-N 2 2 319.405 2.566 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000430241212 429668237 /nfs/dbraw/zinc/66/82/37/429668237.db2.gz GEARFNLHGPAONY-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000430241212 429668239 /nfs/dbraw/zinc/66/82/39/429668239.db2.gz GEARFNLHGPAONY-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000430241212 429668243 /nfs/dbraw/zinc/66/82/43/429668243.db2.gz GEARFNLHGPAONY-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000430241212 429668247 /nfs/dbraw/zinc/66/82/47/429668247.db2.gz GEARFNLHGPAONY-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704017 429702803 /nfs/dbraw/zinc/70/28/03/429702803.db2.gz OJIGNIJTVRRYCK-DRDHIDPGSA-N 2 2 312.373 2.831 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000367704017 429702807 /nfs/dbraw/zinc/70/28/07/429702807.db2.gz OJIGNIJTVRRYCK-DRDHIDPGSA-N 2 2 312.373 2.831 20 5 DFBDLP Cc1cn2c([nH+]1)CN(c1cc(C)[nH+]c3ccc([N+](=O)[O-])cc31)CC2 ZINC000367862593 429730529 /nfs/dbraw/zinc/73/05/29/429730529.db2.gz VTKGMPYQJWARAU-UHFFFAOYSA-N 2 2 323.356 2.977 20 5 DFBDLP C[C@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000368497768 429857655 /nfs/dbraw/zinc/85/76/55/429857655.db2.gz BDCNYYWXAWMSNE-LBPRGKRZSA-N 2 2 300.362 2.978 20 5 DFBDLP [NH3+]C[C@@H]1c2ccccc2CC[N@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582787010 430333865 /nfs/dbraw/zinc/33/38/65/430333865.db2.gz YBUZNIJSDJTPRJ-GOSISDBHSA-N 2 2 311.385 2.695 20 5 DFBDLP [NH3+]C[C@@H]1c2ccccc2CC[N@@H+]1CCc1ccc([N+](=O)[O-])cc1 ZINC000582787010 430333870 /nfs/dbraw/zinc/33/38/70/430333870.db2.gz YBUZNIJSDJTPRJ-GOSISDBHSA-N 2 2 311.385 2.695 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570231900 430524396 /nfs/dbraw/zinc/52/43/96/430524396.db2.gz IUJFDFWDQJVNCU-CYBMUJFWSA-N 2 2 315.377 2.510 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@H](C)C[NH+]1CCCCC1 ZINC000449071361 297400609 /nfs/dbraw/zinc/40/06/09/297400609.db2.gz BFNOVTKDCCVVFB-HUUCEWRRSA-N 2 2 305.422 2.990 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000534580660 301234507 /nfs/dbraw/zinc/23/45/07/301234507.db2.gz LGQOUWYZZJRNQI-CQSZACIVSA-N 2 2 300.362 2.626 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584350824 336060836 /nfs/dbraw/zinc/06/08/36/336060836.db2.gz DPSJUZOELASQJN-QGZVFWFLSA-N 2 2 319.405 2.569 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000584350824 336060838 /nfs/dbraw/zinc/06/08/38/336060838.db2.gz DPSJUZOELASQJN-QGZVFWFLSA-N 2 2 319.405 2.569 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156384219 527347126 /nfs/dbraw/zinc/34/71/26/527347126.db2.gz OMOIMLRWAPRLAP-QGZVFWFLSA-N 2 2 313.357 2.686 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1 ZINC000156384219 527347127 /nfs/dbraw/zinc/34/71/27/527347127.db2.gz OMOIMLRWAPRLAP-QGZVFWFLSA-N 2 2 313.357 2.686 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478621 398431673 /nfs/dbraw/zinc/43/16/73/398431673.db2.gz GGHHLGXQVGDLMY-IUODEOHRSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478621 398431674 /nfs/dbraw/zinc/43/16/74/398431674.db2.gz GGHHLGXQVGDLMY-IUODEOHRSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478620 398431897 /nfs/dbraw/zinc/43/18/97/398431897.db2.gz GGHHLGXQVGDLMY-DOMZBBRYSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000592478620 398431901 /nfs/dbraw/zinc/43/19/01/398431901.db2.gz GGHHLGXQVGDLMY-DOMZBBRYSA-N 2 2 307.369 2.698 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950651 398555272 /nfs/dbraw/zinc/55/52/72/398555272.db2.gz GUIFUGKLMRYABV-GJZGRUSLSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950651 398555278 /nfs/dbraw/zinc/55/52/78/398555278.db2.gz GUIFUGKLMRYABV-GJZGRUSLSA-N 2 2 319.405 2.567 20 5 DFBDLP C[NH+](C)C(C)(C)C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152591885 186088204 /nfs/dbraw/zinc/08/82/04/186088204.db2.gz CPNMHMOWUBXTAK-HNNXBMFYSA-N 2 2 305.422 2.846 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277254821 213398082 /nfs/dbraw/zinc/39/80/82/213398082.db2.gz QMTQTCARBDJDQF-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277254821 213398084 /nfs/dbraw/zinc/39/80/84/213398084.db2.gz QMTQTCARBDJDQF-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP COCC[NH2+]C1CC[NH+]([C@@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593728448 398677981 /nfs/dbraw/zinc/67/79/81/398677981.db2.gz HVXBYPMBUBOOSU-AWEZNQCLSA-N 2 2 321.421 2.665 20 5 DFBDLP CC1(C)C[C@H]([NH2+]C[C@@H]2C[C@H](F)C[NH2+]2)c2cc([N+](=O)[O-])ccc21 ZINC000591579969 398773971 /nfs/dbraw/zinc/77/39/71/398773971.db2.gz BRDRJOKVNWACPR-PGUXBMHVSA-N 2 2 307.369 2.607 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000136305318 283238380 /nfs/dbraw/zinc/23/83/80/283238380.db2.gz HPADGHOISPHQMN-UHFFFAOYSA-N 2 2 306.341 2.761 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)cccc1[N+](=O)[O-] ZINC000136305318 283238385 /nfs/dbraw/zinc/23/83/85/283238385.db2.gz HPADGHOISPHQMN-UHFFFAOYSA-N 2 2 306.341 2.761 20 5 DFBDLP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1OC ZINC000595005936 398890315 /nfs/dbraw/zinc/89/03/15/398890315.db2.gz GHPKXPJAGANUPZ-ZDUSSCGKSA-N 2 2 309.410 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000595006416 398889983 /nfs/dbraw/zinc/88/99/83/398889983.db2.gz JRDQECGVGWSIAZ-GFCCVEGCSA-N 2 2 309.410 2.842 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000595008292 398891251 /nfs/dbraw/zinc/89/12/51/398891251.db2.gz DCYFRMOOXYJXAN-IHRRRGAJSA-N 2 2 319.405 2.881 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000595008292 398891254 /nfs/dbraw/zinc/89/12/54/398891254.db2.gz DCYFRMOOXYJXAN-IHRRRGAJSA-N 2 2 319.405 2.881 20 5 DFBDLP C[NH+](C)C[C@@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599042865 398911350 /nfs/dbraw/zinc/91/13/50/398911350.db2.gz GHBPMYDNHGSCJP-LBPRGKRZSA-N 2 2 300.362 2.531 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599071854 398917418 /nfs/dbraw/zinc/91/74/18/398917418.db2.gz UULAXZRYFYXYFA-KGLIPLIRSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071854 398917420 /nfs/dbraw/zinc/91/74/20/398917420.db2.gz UULAXZRYFYXYFA-KGLIPLIRSA-N 2 2 321.421 2.986 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000595331087 398922971 /nfs/dbraw/zinc/92/29/71/398922971.db2.gz NNZNZJQSANOJMP-CYBMUJFWSA-N 2 2 307.369 2.652 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000595331087 398922975 /nfs/dbraw/zinc/92/29/75/398922975.db2.gz NNZNZJQSANOJMP-CYBMUJFWSA-N 2 2 307.369 2.652 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000595344133 398924881 /nfs/dbraw/zinc/92/48/81/398924881.db2.gz MHEXRSHIGJNMKW-UHFFFAOYSA-N 2 2 304.325 2.768 20 5 DFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271690782 209130176 /nfs/dbraw/zinc/13/01/76/209130176.db2.gz LUNHSQFSSVTUMN-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153227007 398935600 /nfs/dbraw/zinc/93/56/00/398935600.db2.gz HOMAYXAFTPGLGW-DZGCQCFKSA-N 2 2 321.421 2.522 20 5 DFBDLP Cc1noc(C[NH+]2CCC(c3ccc(C)[nH+]c3)CC2)c1[N+](=O)[O-] ZINC000595426143 398936076 /nfs/dbraw/zinc/93/60/76/398936076.db2.gz NGDRSBJONIFIDH-UHFFFAOYSA-N 2 2 316.361 2.974 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507451 398952965 /nfs/dbraw/zinc/95/29/65/398952965.db2.gz NLOTUKKYPIEUBT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507451 398952967 /nfs/dbraw/zinc/95/29/67/398952967.db2.gz NLOTUKKYPIEUBT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507451 398952968 /nfs/dbraw/zinc/95/29/68/398952968.db2.gz NLOTUKKYPIEUBT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507451 398952970 /nfs/dbraw/zinc/95/29/70/398952970.db2.gz NLOTUKKYPIEUBT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600727584 399126982 /nfs/dbraw/zinc/12/69/82/399126982.db2.gz XUMBQQBDIZMCIJ-WCQYABFASA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@H]1C(F)(F)F ZINC000600727584 399126986 /nfs/dbraw/zinc/12/69/86/399126986.db2.gz XUMBQQBDIZMCIJ-WCQYABFASA-N 2 2 317.311 2.554 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420370090 296181664 /nfs/dbraw/zinc/18/16/64/296181664.db2.gz YKDQNNZSDLTQOQ-HNNXBMFYSA-N 2 2 307.394 2.601 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420385823 296184397 /nfs/dbraw/zinc/18/43/97/296184397.db2.gz FJCOYEZURBCUHY-XJKSGUPXSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420385823 296184398 /nfs/dbraw/zinc/18/43/98/296184398.db2.gz FJCOYEZURBCUHY-XJKSGUPXSA-N 2 2 319.405 2.567 20 5 DFBDLP Cc1cc(N[C@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124051 399181664 /nfs/dbraw/zinc/18/16/64/399181664.db2.gz SWXCUDCTMYNHLH-LBPRGKRZSA-N 2 2 324.450 2.545 20 5 DFBDLP Cc1cc(N[C@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124051 399181669 /nfs/dbraw/zinc/18/16/69/399181669.db2.gz SWXCUDCTMYNHLH-LBPRGKRZSA-N 2 2 324.450 2.545 20 5 DFBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1cc(Cl)ccc1[N+](=O)[O-] ZINC000271690782 209130173 /nfs/dbraw/zinc/13/01/73/209130173.db2.gz LUNHSQFSSVTUMN-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP C[C@@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582604 399382466 /nfs/dbraw/zinc/38/24/66/399382466.db2.gz CSWGZLXXUPYRPL-VXGBXAGGSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000610582604 399382471 /nfs/dbraw/zinc/38/24/71/399382471.db2.gz CSWGZLXXUPYRPL-VXGBXAGGSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@@H]1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582604 399382475 /nfs/dbraw/zinc/38/24/75/399382475.db2.gz CSWGZLXXUPYRPL-VXGBXAGGSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@@H]1C[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582604 399382479 /nfs/dbraw/zinc/38/24/79/399382479.db2.gz CSWGZLXXUPYRPL-VXGBXAGGSA-N 2 2 318.377 2.651 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347017333 285005162 /nfs/dbraw/zinc/00/51/62/285005162.db2.gz DJYPIHWGYADTBM-QWHCGFSZSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000347017333 285005164 /nfs/dbraw/zinc/00/51/64/285005164.db2.gz DJYPIHWGYADTBM-QWHCGFSZSA-N 2 2 307.394 2.553 20 5 DFBDLP C[C@H]([NH2+]CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000119957115 195068916 /nfs/dbraw/zinc/06/89/16/195068916.db2.gz METBXPYQLQSEFP-ZNMIVQPWSA-N 2 2 321.421 2.745 20 5 DFBDLP C[C@H]([NH2+]CCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000119957115 195068918 /nfs/dbraw/zinc/06/89/18/195068918.db2.gz METBXPYQLQSEFP-ZNMIVQPWSA-N 2 2 321.421 2.745 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091506 296377001 /nfs/dbraw/zinc/37/70/01/296377001.db2.gz XIPIAJXIZVXQQA-ZANVPECISA-N 2 2 317.311 2.701 20 5 DFBDLP Cc1cc[nH+]cc1CCCN(CC[NH3+])c1ccccc1[N+](=O)[O-] ZINC000289675999 221146739 /nfs/dbraw/zinc/14/67/39/221146739.db2.gz DRVNJKFSYQWDRA-UHFFFAOYSA-N 2 2 314.389 2.696 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000427862212 296670639 /nfs/dbraw/zinc/67/06/39/296670639.db2.gz VLFOGKYEJTVRNF-HIFRSBDPSA-N 2 2 314.389 2.717 20 5 DFBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248030149 158156965 /nfs/dbraw/zinc/15/69/65/158156965.db2.gz QDCBSQKLQKVJET-IAGOWNOFSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248030149 158156972 /nfs/dbraw/zinc/15/69/72/158156972.db2.gz QDCBSQKLQKVJET-IAGOWNOFSA-N 2 2 317.433 2.990 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000130616744 196096097 /nfs/dbraw/zinc/09/60/97/196096097.db2.gz LRVZIJGNTCOKNR-UHFFFAOYSA-N 2 2 306.341 2.761 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1F ZINC000130616744 196096100 /nfs/dbraw/zinc/09/61/00/196096100.db2.gz LRVZIJGNTCOKNR-UHFFFAOYSA-N 2 2 306.341 2.761 20 5 DFBDLP C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)C1CC1 ZINC000130746623 196106054 /nfs/dbraw/zinc/10/60/54/196106054.db2.gz WCVVEFKLAVLKMF-DYVFJYSZSA-N 2 2 317.433 2.988 20 5 DFBDLP C[C@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)C1CC1 ZINC000130746623 196106056 /nfs/dbraw/zinc/10/60/56/196106056.db2.gz WCVVEFKLAVLKMF-DYVFJYSZSA-N 2 2 317.433 2.988 20 5 DFBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369032 426098253 /nfs/dbraw/zinc/09/82/53/426098253.db2.gz IILNBVHTTGZNDL-GJZGRUSLSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369032 426098255 /nfs/dbraw/zinc/09/82/55/426098255.db2.gz IILNBVHTTGZNDL-GJZGRUSLSA-N 2 2 321.421 2.665 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835111 426086820 /nfs/dbraw/zinc/08/68/20/426086820.db2.gz UJTBVGCFVUGGIH-INIZCTEOSA-N 2 2 303.406 2.903 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075835111 426086823 /nfs/dbraw/zinc/08/68/23/426086823.db2.gz UJTBVGCFVUGGIH-INIZCTEOSA-N 2 2 303.406 2.903 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000153200530 426375190 /nfs/dbraw/zinc/37/51/90/426375190.db2.gz WFORSQMSLHWYEO-HIFRSBDPSA-N 2 2 321.421 2.522 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)cs1 ZINC000237972331 426701425 /nfs/dbraw/zinc/70/14/25/426701425.db2.gz CIDZMQFDZTZGKR-UHFFFAOYSA-N 2 2 318.402 2.810 20 5 DFBDLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000247979743 426969799 /nfs/dbraw/zinc/96/97/99/426969799.db2.gz METBXPYQLQSEFP-RBSFLKMASA-N 2 2 321.421 2.745 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283215701 426975958 /nfs/dbraw/zinc/97/59/58/426975958.db2.gz SJCMSZAACTVJDG-AWEZNQCLSA-N 2 2 309.385 2.898 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283215701 426975969 /nfs/dbraw/zinc/97/59/69/426975969.db2.gz SJCMSZAACTVJDG-AWEZNQCLSA-N 2 2 309.385 2.898 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337871000 427011092 /nfs/dbraw/zinc/01/10/92/427011092.db2.gz NRBLGOSLSWYOEV-HUUCEWRRSA-N 2 2 319.405 2.710 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337871000 427011097 /nfs/dbraw/zinc/01/10/97/427011097.db2.gz NRBLGOSLSWYOEV-HUUCEWRRSA-N 2 2 319.405 2.710 20 5 DFBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153858 427418557 /nfs/dbraw/zinc/41/85/57/427418557.db2.gz AMXVHRGEWGBIFB-MLGOLLRUSA-N 2 2 300.362 2.847 20 5 DFBDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369884260 428083626 /nfs/dbraw/zinc/08/36/26/428083626.db2.gz YKRANRLAFKTXRA-OCCSQVGLSA-N 2 2 300.362 2.765 20 5 DFBDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539659 428141815 /nfs/dbraw/zinc/14/18/15/428141815.db2.gz BNFBKRWEBUFGFW-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539659 428141817 /nfs/dbraw/zinc/14/18/17/428141817.db2.gz BNFBKRWEBUFGFW-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539659 428141819 /nfs/dbraw/zinc/14/18/19/428141819.db2.gz BNFBKRWEBUFGFW-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539659 428141822 /nfs/dbraw/zinc/14/18/22/428141822.db2.gz BNFBKRWEBUFGFW-TZMCWYRMSA-N 2 2 307.394 2.518 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353950 428266018 /nfs/dbraw/zinc/26/60/18/428266018.db2.gz ZRFZQDOAXXOVKL-JKSUJKDBSA-N 2 2 303.406 2.600 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000414353950 428266024 /nfs/dbraw/zinc/26/60/24/428266024.db2.gz ZRFZQDOAXXOVKL-JKSUJKDBSA-N 2 2 303.406 2.600 20 5 DFBDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347093039 428441428 /nfs/dbraw/zinc/44/14/28/428441428.db2.gz GOEFKTINBCNDBA-CQSZACIVSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000347093039 428441436 /nfs/dbraw/zinc/44/14/36/428441436.db2.gz GOEFKTINBCNDBA-CQSZACIVSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414796735 428415173 /nfs/dbraw/zinc/41/51/73/428415173.db2.gz HZOZWMYZCHSGKP-HNNXBMFYSA-N 2 2 301.346 2.682 20 5 DFBDLP Cc1ccc(CCCN(CC[NH3+])c2ccccc2[N+](=O)[O-])c[nH+]1 ZINC000348936710 428879882 /nfs/dbraw/zinc/87/98/82/428879882.db2.gz TYGGPSMJZAHKEQ-UHFFFAOYSA-N 2 2 314.389 2.696 20 5 DFBDLP Cc1[nH+]ccn1CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413166766 429154683 /nfs/dbraw/zinc/15/46/83/429154683.db2.gz UNBGMCYWORUYEB-UHFFFAOYSA-N 2 2 311.345 3.150 20 5 DFBDLP [NH3+][C@@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435368982 429133377 /nfs/dbraw/zinc/13/33/77/429133377.db2.gz CHHPPUJVEYSYKT-GFCCVEGCSA-N 2 2 303.387 2.856 20 5 DFBDLP [NH3+][C@@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435368982 429133382 /nfs/dbraw/zinc/13/33/82/429133382.db2.gz CHHPPUJVEYSYKT-GFCCVEGCSA-N 2 2 303.387 2.856 20 5 DFBDLP CC(C)[N@H+](C)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413090795 429134703 /nfs/dbraw/zinc/13/47/03/429134703.db2.gz JLFLOIOWVKLDKM-UHFFFAOYSA-N 2 2 302.378 3.285 20 5 DFBDLP CC(C)[N@@H+](C)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413090795 429134708 /nfs/dbraw/zinc/13/47/08/429134708.db2.gz JLFLOIOWVKLDKM-UHFFFAOYSA-N 2 2 302.378 3.285 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102957 275038662 /nfs/dbraw/zinc/03/86/62/275038662.db2.gz RAQBZRXJFOAUQX-SWLSCSKDSA-N 2 2 312.373 2.842 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102957 275038663 /nfs/dbraw/zinc/03/86/63/275038663.db2.gz RAQBZRXJFOAUQX-SWLSCSKDSA-N 2 2 312.373 2.842 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427896079 429477207 /nfs/dbraw/zinc/47/72/07/429477207.db2.gz VAFSKIGYLVYCBZ-OCCSQVGLSA-N 2 2 300.362 2.765 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C[NH3+])C1CC1 ZINC000430590583 429699090 /nfs/dbraw/zinc/69/90/90/429699090.db2.gz HTJBKTMIYLXVMZ-INIZCTEOSA-N 2 2 307.394 2.599 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104952 429788405 /nfs/dbraw/zinc/78/84/05/429788405.db2.gz MCIWBJIZMVOIBK-JSGCOSHPSA-N 2 2 314.389 2.786 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104952 429788409 /nfs/dbraw/zinc/78/84/09/429788409.db2.gz MCIWBJIZMVOIBK-JSGCOSHPSA-N 2 2 314.389 2.786 20 5 DFBDLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545595 429849733 /nfs/dbraw/zinc/84/97/33/429849733.db2.gz HTLVVDUELVLUEU-INIZCTEOSA-N 2 2 314.389 2.979 20 5 DFBDLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545595 429849737 /nfs/dbraw/zinc/84/97/37/429849737.db2.gz HTLVVDUELVLUEU-INIZCTEOSA-N 2 2 314.389 2.979 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685878 429886470 /nfs/dbraw/zinc/88/64/70/429886470.db2.gz BZQCEGVRIXXWNQ-NEPJUHHUSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000368685878 429886471 /nfs/dbraw/zinc/88/64/71/429886471.db2.gz BZQCEGVRIXXWNQ-NEPJUHHUSA-N 2 2 300.362 2.834 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[N@H+](CCC[NH+]1CCCCC1)C2 ZINC000548726165 430496727 /nfs/dbraw/zinc/49/67/27/430496727.db2.gz AXGAJBSVCGBKRT-UHFFFAOYSA-N 2 2 303.406 2.829 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[N@@H+](CCC[NH+]1CCCCC1)C2 ZINC000548726165 430496731 /nfs/dbraw/zinc/49/67/31/430496731.db2.gz AXGAJBSVCGBKRT-UHFFFAOYSA-N 2 2 303.406 2.829 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261923425 278036323 /nfs/dbraw/zinc/03/63/23/278036323.db2.gz BXPWSOVAJJGDIA-QGZVFWFLSA-N 2 2 303.406 2.904 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261923425 278036324 /nfs/dbraw/zinc/03/63/24/278036324.db2.gz BXPWSOVAJJGDIA-QGZVFWFLSA-N 2 2 303.406 2.904 20 5 DFBDLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770071 279036137 /nfs/dbraw/zinc/03/61/37/279036137.db2.gz OTSYCICUKFOTAZ-VFADXPBXSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770071 279036140 /nfs/dbraw/zinc/03/61/40/279036140.db2.gz OTSYCICUKFOTAZ-VFADXPBXSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770071 279036141 /nfs/dbraw/zinc/03/61/41/279036141.db2.gz OTSYCICUKFOTAZ-VFADXPBXSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770071 279036142 /nfs/dbraw/zinc/03/61/42/279036142.db2.gz OTSYCICUKFOTAZ-VFADXPBXSA-N 2 2 303.406 2.882 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442764392 297205001 /nfs/dbraw/zinc/20/50/01/297205001.db2.gz KMITUOPHVHCKRH-OLZOCXBDSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442764392 297205002 /nfs/dbraw/zinc/20/50/02/297205002.db2.gz KMITUOPHVHCKRH-OLZOCXBDSA-N 2 2 307.394 2.551 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000447603500 297310728 /nfs/dbraw/zinc/31/07/28/297310728.db2.gz XXKDHLKJODZKGB-BBRMVZONSA-N 2 2 312.373 2.773 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000449166589 297416296 /nfs/dbraw/zinc/41/62/96/297416296.db2.gz DXFNBJBXOWFNKK-ZFWWWQNUSA-N 2 2 314.389 2.890 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000575134270 318066198 /nfs/dbraw/zinc/06/61/98/318066198.db2.gz TVQMHLSIUKYRQP-NSHDSACASA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000575134270 318066201 /nfs/dbraw/zinc/06/62/01/318066201.db2.gz TVQMHLSIUKYRQP-NSHDSACASA-N 2 2 320.780 2.971 20 5 DFBDLP Cc1c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cccc1[N+](=O)[O-] ZINC000292971729 533847966 /nfs/dbraw/zinc/84/79/66/533847966.db2.gz MHVIPPSOTUTGSX-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cccc1[N+](=O)[O-] ZINC000292971729 533847972 /nfs/dbraw/zinc/84/79/72/533847972.db2.gz MHVIPPSOTUTGSX-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000292971729 533847957 /nfs/dbraw/zinc/84/79/57/533847957.db2.gz MHVIPPSOTUTGSX-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000292971729 533847962 /nfs/dbraw/zinc/84/79/62/533847962.db2.gz MHVIPPSOTUTGSX-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000158031391 527350891 /nfs/dbraw/zinc/35/08/91/527350891.db2.gz IJLRDQSCOIQCED-QWHCGFSZSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1 ZINC000158031391 527350896 /nfs/dbraw/zinc/35/08/96/527350896.db2.gz IJLRDQSCOIQCED-QWHCGFSZSA-N 2 2 309.797 2.965 20 5 DFBDLP CC[NH+]1CCC([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083133529 398382880 /nfs/dbraw/zinc/38/28/80/398382880.db2.gz AAAAMKSBUXNUBT-UHFFFAOYSA-N 2 2 318.377 2.652 20 5 DFBDLP CC[NH+]1CCC([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000083133529 398382886 /nfs/dbraw/zinc/38/28/86/398382886.db2.gz AAAAMKSBUXNUBT-UHFFFAOYSA-N 2 2 318.377 2.652 20 5 DFBDLP CCN(CCC[NH+](C)C)c1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413256486 295691163 /nfs/dbraw/zinc/69/11/63/295691163.db2.gz MFDVLFCXNKBDLC-UHFFFAOYSA-N 2 2 302.378 2.921 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000592438329 398426513 /nfs/dbraw/zinc/42/65/13/398426513.db2.gz KVDJDNAHLZATLW-YERXGYGTSA-N 2 2 301.390 2.872 20 5 DFBDLP C[NH+]1CCC([NH+]2CCC(Nc3sccc3[N+](=O)[O-])CC2)CC1 ZINC000302010529 530049801 /nfs/dbraw/zinc/04/98/01/530049801.db2.gz YJKLTYCSFUOZFJ-UHFFFAOYSA-N 2 2 324.450 2.627 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046998 398475495 /nfs/dbraw/zinc/47/54/95/398475495.db2.gz KKZGMOUCKMSCOU-UKRRQHHQSA-N 2 2 321.421 2.665 20 5 DFBDLP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206503 398538325 /nfs/dbraw/zinc/53/83/25/398538325.db2.gz OVHDIQGNISMXBA-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206503 398538329 /nfs/dbraw/zinc/53/83/29/398538329.db2.gz OVHDIQGNISMXBA-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206503 398538332 /nfs/dbraw/zinc/53/83/32/398538332.db2.gz OVHDIQGNISMXBA-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206503 398538336 /nfs/dbraw/zinc/53/83/36/398538336.db2.gz OVHDIQGNISMXBA-XJKSGUPXSA-N 2 2 307.369 2.650 20 5 DFBDLP CCO[C@@H]1C[N@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593317107 398596489 /nfs/dbraw/zinc/59/64/89/398596489.db2.gz QDYRECSVTYQAIN-RHSMWYFYSA-N 2 2 321.421 2.514 20 5 DFBDLP CCO[C@@H]1C[N@@H+](Cc2ccc(C(C)C)c([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000593317107 398596495 /nfs/dbraw/zinc/59/64/95/398596495.db2.gz QDYRECSVTYQAIN-RHSMWYFYSA-N 2 2 321.421 2.514 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+]C[C@H]3CCC[NH2+]3)o2)cc1 ZINC000414852108 295826147 /nfs/dbraw/zinc/82/61/47/295826147.db2.gz VLUKVTDUKOXTEL-CYBMUJFWSA-N 2 2 301.346 2.696 20 5 DFBDLP CCOc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277203866 213364328 /nfs/dbraw/zinc/36/43/28/213364328.db2.gz MVAYFKIQOUFBKP-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCOc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277203866 213364331 /nfs/dbraw/zinc/36/43/31/213364331.db2.gz MVAYFKIQOUFBKP-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N[C@H]3CCc4[nH+]ccn4C3)c2c1 ZINC000591141750 398730903 /nfs/dbraw/zinc/73/09/03/398730903.db2.gz ZACLSTMNMSTOKP-LBPRGKRZSA-N 2 2 309.329 2.766 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000591281840 398745523 /nfs/dbraw/zinc/74/55/23/398745523.db2.gz OMHWNIOMTHVDHU-SYAUCNOPSA-N 2 2 321.396 2.596 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000595053407 398898291 /nfs/dbraw/zinc/89/82/91/398898291.db2.gz YAKXZIKPKFLXQO-QWRGUYRKSA-N 2 2 316.361 2.535 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000595053407 398898293 /nfs/dbraw/zinc/89/82/93/398898293.db2.gz YAKXZIKPKFLXQO-QWRGUYRKSA-N 2 2 316.361 2.535 20 5 DFBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600715505 399122009 /nfs/dbraw/zinc/12/20/09/399122009.db2.gz ZEKBCQQLSORVQW-YNEHKIRRSA-N 2 2 309.435 2.806 20 5 DFBDLP CC[N@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770072 193303344 /nfs/dbraw/zinc/30/33/44/193303344.db2.gz OTSYCICUKFOTAZ-PMGBHYCQSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[N@@H+](C)C[C@H]1CC[NH+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770072 193303346 /nfs/dbraw/zinc/30/33/46/193303346.db2.gz OTSYCICUKFOTAZ-PMGBHYCQSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@H]1CC[N@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770072 193303348 /nfs/dbraw/zinc/30/33/48/193303348.db2.gz OTSYCICUKFOTAZ-PMGBHYCQSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@H]1CC[N@@H+](C/C=C/c2ccccc2[N+](=O)[O-])C1 ZINC000093770072 193303349 /nfs/dbraw/zinc/30/33/49/193303349.db2.gz OTSYCICUKFOTAZ-PMGBHYCQSA-N 2 2 303.406 2.882 20 5 DFBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600725306 399125737 /nfs/dbraw/zinc/12/57/37/399125737.db2.gz ISSMOKNGXCRGQV-RYUDHWBXSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600725306 399125740 /nfs/dbraw/zinc/12/57/40/399125740.db2.gz ISSMOKNGXCRGQV-RYUDHWBXSA-N 2 2 317.311 2.554 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900969 399127639 /nfs/dbraw/zinc/12/76/39/399127639.db2.gz QNIZTMLBZPAJPN-AWEZNQCLSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900969 399127646 /nfs/dbraw/zinc/12/76/46/399127646.db2.gz QNIZTMLBZPAJPN-AWEZNQCLSA-N 2 2 319.405 2.512 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904790 399129429 /nfs/dbraw/zinc/12/94/29/399129429.db2.gz LACLIIVYCUWADR-WMLDXEAASA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595904790 399129430 /nfs/dbraw/zinc/12/94/30/399129430.db2.gz LACLIIVYCUWADR-WMLDXEAASA-N 2 2 321.421 2.698 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000596059883 399158885 /nfs/dbraw/zinc/15/88/85/399158885.db2.gz VHODJXADPVWXJT-ZDUSSCGKSA-N 2 2 309.435 2.868 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000596059883 399158888 /nfs/dbraw/zinc/15/88/88/399158888.db2.gz VHODJXADPVWXJT-ZDUSSCGKSA-N 2 2 309.435 2.868 20 5 DFBDLP CC[N@H+]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618574643 399164806 /nfs/dbraw/zinc/16/48/06/399164806.db2.gz FFXLXHWCDZFAHK-ZLIFDBKOSA-N 2 2 303.406 2.902 20 5 DFBDLP CC[N@@H+]1C[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618574643 399164810 /nfs/dbraw/zinc/16/48/10/399164810.db2.gz FFXLXHWCDZFAHK-ZLIFDBKOSA-N 2 2 303.406 2.902 20 5 DFBDLP Cc1[nH+]c2n(c1C)CCN(c1cc[nH+]c3ccc([N+](=O)[O-])cc31)C2 ZINC000601111561 399230541 /nfs/dbraw/zinc/23/05/41/399230541.db2.gz RUSZFQQLBRXDMB-UHFFFAOYSA-N 2 2 323.356 2.977 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157454 399307175 /nfs/dbraw/zinc/30/71/75/399307175.db2.gz RFPHOTUCNGFZRB-INIZCTEOSA-N 2 2 300.362 2.671 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1 ZINC000609157454 399307178 /nfs/dbraw/zinc/30/71/78/399307178.db2.gz RFPHOTUCNGFZRB-INIZCTEOSA-N 2 2 300.362 2.671 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156505595 197119334 /nfs/dbraw/zinc/11/93/34/197119334.db2.gz CBYILABZBZOTQU-BBRMVZONSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156505595 197119336 /nfs/dbraw/zinc/11/93/36/197119336.db2.gz CBYILABZBZOTQU-BBRMVZONSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156425871 197113015 /nfs/dbraw/zinc/11/30/15/197113015.db2.gz ZVQUXSJHHNBMLW-AAEUAGOBSA-N 2 2 306.391 2.936 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000156425871 197113016 /nfs/dbraw/zinc/11/30/16/197113016.db2.gz ZVQUXSJHHNBMLW-AAEUAGOBSA-N 2 2 306.391 2.936 20 5 DFBDLP CCC1([NH+](C)C)CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000602967775 399642634 /nfs/dbraw/zinc/64/26/34/399642634.db2.gz QPSUIKCSOGTYLJ-UHFFFAOYSA-N 2 2 321.421 2.780 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351862508 286233953 /nfs/dbraw/zinc/23/39/53/286233953.db2.gz PRHJYUWBTRMJSP-STQMWFEESA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351862508 286233954 /nfs/dbraw/zinc/23/39/54/286233954.db2.gz PRHJYUWBTRMJSP-STQMWFEESA-N 2 2 307.394 2.551 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649006 425848873 /nfs/dbraw/zinc/84/88/73/425848873.db2.gz RKWPCQMNWOVIKN-LLVKDONJSA-N 2 2 309.797 2.822 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649006 425848874 /nfs/dbraw/zinc/84/88/74/425848874.db2.gz RKWPCQMNWOVIKN-LLVKDONJSA-N 2 2 309.797 2.822 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1 ZINC000072074856 426009479 /nfs/dbraw/zinc/00/94/79/426009479.db2.gz FMPSACUQSWIAIA-CYBMUJFWSA-N 2 2 318.377 2.616 20 5 DFBDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641850 426444838 /nfs/dbraw/zinc/44/48/38/426444838.db2.gz BWPHVXBJYIZXOQ-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641850 426444840 /nfs/dbraw/zinc/44/48/40/426444840.db2.gz BWPHVXBJYIZXOQ-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154850273 426457736 /nfs/dbraw/zinc/45/77/36/426457736.db2.gz NQCQFKKWXVNRRB-CQSZACIVSA-N 2 2 321.421 2.665 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247797777 426961988 /nfs/dbraw/zinc/96/19/88/426961988.db2.gz ZVQUXSJHHNBMLW-DGCLKSJQSA-N 2 2 306.391 2.936 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247797777 426961996 /nfs/dbraw/zinc/96/19/96/426961996.db2.gz ZVQUXSJHHNBMLW-DGCLKSJQSA-N 2 2 306.391 2.936 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691650 426972480 /nfs/dbraw/zinc/97/24/80/426972480.db2.gz FNOQKOYJBWRQAZ-YOEHRIQHSA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691650 426972487 /nfs/dbraw/zinc/97/24/87/426972487.db2.gz FNOQKOYJBWRQAZ-YOEHRIQHSA-N 2 2 321.421 2.602 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337870998 427011896 /nfs/dbraw/zinc/01/18/96/427011896.db2.gz NRBLGOSLSWYOEV-CABCVRRESA-N 2 2 319.405 2.710 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337870998 427011900 /nfs/dbraw/zinc/01/19/00/427011900.db2.gz NRBLGOSLSWYOEV-CABCVRRESA-N 2 2 319.405 2.710 20 5 DFBDLP C[NH+](C)[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277373588 427182312 /nfs/dbraw/zinc/18/23/12/427182312.db2.gz XULASSSGCCBJLG-LBPRGKRZSA-N 2 2 318.377 2.652 20 5 DFBDLP C[NH+](C)[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000277373588 427182319 /nfs/dbraw/zinc/18/23/19/427182319.db2.gz XULASSSGCCBJLG-LBPRGKRZSA-N 2 2 318.377 2.652 20 5 DFBDLP C[N@@H+]1CCC[C@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413435294 428048291 /nfs/dbraw/zinc/04/82/91/428048291.db2.gz HEUJOHPGUZUHCZ-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DFBDLP C[N@H+]1CCC[C@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413435294 428048297 /nfs/dbraw/zinc/04/82/97/428048297.db2.gz HEUJOHPGUZUHCZ-CYBMUJFWSA-N 2 2 314.389 3.287 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377825840 428238523 /nfs/dbraw/zinc/23/85/23/428238523.db2.gz GGVPOHDDNPXLTL-CQSZACIVSA-N 2 2 300.362 2.626 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377825840 428238529 /nfs/dbraw/zinc/23/85/29/428238529.db2.gz GGVPOHDDNPXLTL-CQSZACIVSA-N 2 2 300.362 2.626 20 5 DFBDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1cccc([N+](=O)[O-])c1 ZINC000375265081 428837505 /nfs/dbraw/zinc/83/75/05/428837505.db2.gz FFYGEPSYVNBBFQ-GFCCVEGCSA-N 2 2 300.362 2.978 20 5 DFBDLP COc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1[N+](=O)[O-] ZINC000376018761 429043443 /nfs/dbraw/zinc/04/34/43/429043443.db2.gz KNMXKXJHHRSLCM-UHFFFAOYSA-N 2 2 319.405 2.710 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427130310 429434087 /nfs/dbraw/zinc/43/40/87/429434087.db2.gz GYUDTHHARVYGQD-ZBFHGGJFSA-N 2 2 303.406 2.902 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000427130310 429434090 /nfs/dbraw/zinc/43/40/90/429434090.db2.gz GYUDTHHARVYGQD-ZBFHGGJFSA-N 2 2 303.406 2.902 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427896078 429477504 /nfs/dbraw/zinc/47/75/04/429477504.db2.gz VAFSKIGYLVYCBZ-JSGCOSHPSA-N 2 2 300.362 2.765 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207404 429663963 /nfs/dbraw/zinc/66/39/63/429663963.db2.gz ZNBAYUPNZGYNQY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207404 429663965 /nfs/dbraw/zinc/66/39/65/429663965.db2.gz ZNBAYUPNZGYNQY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207404 429663971 /nfs/dbraw/zinc/66/39/71/429663971.db2.gz ZNBAYUPNZGYNQY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207404 429663975 /nfs/dbraw/zinc/66/39/75/429663975.db2.gz ZNBAYUPNZGYNQY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430579299 429695410 /nfs/dbraw/zinc/69/54/10/429695410.db2.gz CCFBIQWRMXMKLT-LBPRGKRZSA-N 2 2 306.366 2.541 20 5 DFBDLP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430579299 429695414 /nfs/dbraw/zinc/69/54/14/429695414.db2.gz CCFBIQWRMXMKLT-LBPRGKRZSA-N 2 2 306.366 2.541 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000368081968 429783068 /nfs/dbraw/zinc/78/30/68/429783068.db2.gz REBWQLMDHWKOGU-JTQLQIEISA-N 2 2 306.753 2.618 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000368081968 429783071 /nfs/dbraw/zinc/78/30/71/429783071.db2.gz REBWQLMDHWKOGU-JTQLQIEISA-N 2 2 306.753 2.618 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104951 429789010 /nfs/dbraw/zinc/78/90/10/429789010.db2.gz MCIWBJIZMVOIBK-GXTWGEPZSA-N 2 2 314.389 2.786 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104951 429789012 /nfs/dbraw/zinc/78/90/12/429789012.db2.gz MCIWBJIZMVOIBK-GXTWGEPZSA-N 2 2 314.389 2.786 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000494409927 429871354 /nfs/dbraw/zinc/87/13/54/429871354.db2.gz IDIDEFYUSBHIBH-LLVKDONJSA-N 2 2 306.753 2.549 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764388 297204923 /nfs/dbraw/zinc/20/49/23/297204923.db2.gz KMITUOPHVHCKRH-CHWSQXEVSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442764388 297204925 /nfs/dbraw/zinc/20/49/25/297204925.db2.gz KMITUOPHVHCKRH-CHWSQXEVSA-N 2 2 307.394 2.551 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000447603501 297310744 /nfs/dbraw/zinc/31/07/44/297310744.db2.gz XXKDHLKJODZKGB-CJNGLKHVSA-N 2 2 312.373 2.773 20 5 DFBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414802382 316663468 /nfs/dbraw/zinc/66/34/68/316663468.db2.gz VPYXZQKMRUPHAS-AWEZNQCLSA-N 2 2 320.418 2.791 20 5 DFBDLP C[NH2+]C[C@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414847858 500784073 /nfs/dbraw/zinc/78/40/73/500784073.db2.gz WGDMNPCQIWKZLK-NSHDSACASA-N 2 2 320.418 2.663 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873531 527836611 /nfs/dbraw/zinc/83/66/11/527836611.db2.gz SJDALFMOOGBSNN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873531 527836616 /nfs/dbraw/zinc/83/66/16/527836616.db2.gz SJDALFMOOGBSNN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873531 527836620 /nfs/dbraw/zinc/83/66/20/527836620.db2.gz SJDALFMOOGBSNN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@H]1C ZINC000330873531 527836624 /nfs/dbraw/zinc/83/66/24/527836624.db2.gz SJDALFMOOGBSNN-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635994 398364285 /nfs/dbraw/zinc/36/42/85/398364285.db2.gz QLLBSJCAWUZWNO-OAHLLOKOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635994 398364288 /nfs/dbraw/zinc/36/42/88/398364288.db2.gz QLLBSJCAWUZWNO-OAHLLOKOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635994 398364293 /nfs/dbraw/zinc/36/42/93/398364293.db2.gz QLLBSJCAWUZWNO-OAHLLOKOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635994 398364297 /nfs/dbraw/zinc/36/42/97/398364297.db2.gz QLLBSJCAWUZWNO-OAHLLOKOSA-N 2 2 303.406 2.759 20 5 DFBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471359 398431132 /nfs/dbraw/zinc/43/11/32/398431132.db2.gz YEUQPTHBBUDIEZ-UHFFFAOYSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1cc(Cl)ccc1C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471359 398431134 /nfs/dbraw/zinc/43/11/34/398431134.db2.gz YEUQPTHBBUDIEZ-UHFFFAOYSA-N 2 2 309.797 2.965 20 5 DFBDLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689105 210096355 /nfs/dbraw/zinc/09/63/55/210096355.db2.gz WUGCVZDNJVIHEU-UXILZDJPSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689105 210096359 /nfs/dbraw/zinc/09/63/59/210096359.db2.gz WUGCVZDNJVIHEU-UXILZDJPSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689105 210096362 /nfs/dbraw/zinc/09/63/62/210096362.db2.gz WUGCVZDNJVIHEU-UXILZDJPSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689105 210096364 /nfs/dbraw/zinc/09/63/64/210096364.db2.gz WUGCVZDNJVIHEU-UXILZDJPSA-N 2 2 301.390 2.634 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199828 398536714 /nfs/dbraw/zinc/53/67/14/398536714.db2.gz OJIGNIJTVRRYCK-ZDTYVGOBSA-N 2 2 312.373 2.831 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000589199828 398536717 /nfs/dbraw/zinc/53/67/17/398536717.db2.gz OJIGNIJTVRRYCK-ZDTYVGOBSA-N 2 2 312.373 2.831 20 5 DFBDLP C[NH2+]C[C@@H](C)C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414847855 295825808 /nfs/dbraw/zinc/82/58/08/295825808.db2.gz WGDMNPCQIWKZLK-LLVKDONJSA-N 2 2 320.418 2.663 20 5 DFBDLP CCOc1cc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277205521 213366382 /nfs/dbraw/zinc/36/63/82/213366382.db2.gz MVAYFKIQOUFBKP-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP CCOc1cc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000277205521 213366385 /nfs/dbraw/zinc/36/63/85/213366385.db2.gz MVAYFKIQOUFBKP-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414920886 295835353 /nfs/dbraw/zinc/83/53/53/295835353.db2.gz AKMFVMURPXJJJX-CDVVCGDMSA-N 2 2 303.406 2.976 20 5 DFBDLP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000595003141 398889288 /nfs/dbraw/zinc/88/92/88/398889288.db2.gz FCAQXNBJNHDBET-LBPRGKRZSA-N 2 2 307.394 2.738 20 5 DFBDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015742 398891564 /nfs/dbraw/zinc/89/15/64/398891564.db2.gz GNFKGGJDGSKYPU-UONOGXRCSA-N 2 2 321.421 2.986 20 5 DFBDLP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015742 398891565 /nfs/dbraw/zinc/89/15/65/398891565.db2.gz GNFKGGJDGSKYPU-UONOGXRCSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000595053409 398897999 /nfs/dbraw/zinc/89/79/99/398897999.db2.gz YAKXZIKPKFLXQO-WDEREUQCSA-N 2 2 316.361 2.535 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000595053409 398898007 /nfs/dbraw/zinc/89/80/07/398898007.db2.gz YAKXZIKPKFLXQO-WDEREUQCSA-N 2 2 316.361 2.535 20 5 DFBDLP COCCC[N@H+](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599051670 398913283 /nfs/dbraw/zinc/91/32/83/398913283.db2.gz VFTPVRUTLLSLOD-UHFFFAOYSA-N 2 2 318.377 2.523 20 5 DFBDLP COCCC[N@@H+](C)CCNc1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599051670 398913286 /nfs/dbraw/zinc/91/32/86/398913286.db2.gz VFTPVRUTLLSLOD-UHFFFAOYSA-N 2 2 318.377 2.523 20 5 DFBDLP CC[N@H+](C)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599053490 398914037 /nfs/dbraw/zinc/91/40/37/398914037.db2.gz UJOMXBXPBOOBEP-CYBMUJFWSA-N 2 2 314.389 2.921 20 5 DFBDLP CC[N@@H+](C)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599053490 398914040 /nfs/dbraw/zinc/91/40/40/398914040.db2.gz UJOMXBXPBOOBEP-CYBMUJFWSA-N 2 2 314.389 2.921 20 5 DFBDLP COCC[N@@H+](C)CC[NH2+][C@@H]1CCCCc2ccc([N+](=O)[O-])cc21 ZINC000417347922 296012312 /nfs/dbraw/zinc/01/23/12/296012312.db2.gz XXBGBQHCESOWOP-QGZVFWFLSA-N 2 2 321.421 2.530 20 5 DFBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505819 398953310 /nfs/dbraw/zinc/95/33/10/398953310.db2.gz VRHNZTTXZZBBIA-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505819 398953315 /nfs/dbraw/zinc/95/33/15/398953315.db2.gz VRHNZTTXZZBBIA-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505819 398953320 /nfs/dbraw/zinc/95/33/20/398953320.db2.gz VRHNZTTXZZBBIA-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505819 398953323 /nfs/dbraw/zinc/95/33/23/398953323.db2.gz VRHNZTTXZZBBIA-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705777 399120722 /nfs/dbraw/zinc/12/07/22/399120722.db2.gz AFZSVHWNTSDPMM-HOTGVXAUSA-N 2 2 301.390 2.846 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900812 399127906 /nfs/dbraw/zinc/12/79/06/399127906.db2.gz MDHPMRVHPOUNKP-CQSZACIVSA-N 2 2 319.405 2.512 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618574640 399164641 /nfs/dbraw/zinc/16/46/41/399164641.db2.gz FFXLXHWCDZFAHK-JCURWCKSSA-N 2 2 303.406 2.902 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618574640 399164645 /nfs/dbraw/zinc/16/46/45/399164645.db2.gz FFXLXHWCDZFAHK-JCURWCKSSA-N 2 2 303.406 2.902 20 5 DFBDLP CC[N@@H+]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116811 399231549 /nfs/dbraw/zinc/23/15/49/399231549.db2.gz XOQHKXICXOQUAE-UHFFFAOYSA-N 2 2 300.362 2.675 20 5 DFBDLP CC[N@H+]1CCCN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)CC1 ZINC000601116811 399231550 /nfs/dbraw/zinc/23/15/50/399231550.db2.gz XOQHKXICXOQUAE-UHFFFAOYSA-N 2 2 300.362 2.675 20 5 DFBDLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139573 399239715 /nfs/dbraw/zinc/23/97/15/399239715.db2.gz GDOWCLUAUADNRT-PXAZEXFGSA-N 2 2 312.373 2.673 20 5 DFBDLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139573 399239716 /nfs/dbraw/zinc/23/97/16/399239716.db2.gz GDOWCLUAUADNRT-PXAZEXFGSA-N 2 2 312.373 2.673 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258259 399310446 /nfs/dbraw/zinc/31/04/46/399310446.db2.gz PWYHQVMZLGYWQB-HNNXBMFYSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258259 399310449 /nfs/dbraw/zinc/31/04/49/399310449.db2.gz PWYHQVMZLGYWQB-HNNXBMFYSA-N 2 2 316.361 2.637 20 5 DFBDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080809 399433060 /nfs/dbraw/zinc/43/30/60/399433060.db2.gz FDZAIMTXPYNGBQ-BHYGNILZSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080809 399433062 /nfs/dbraw/zinc/43/30/62/399433062.db2.gz FDZAIMTXPYNGBQ-BHYGNILZSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602525825 399468160 /nfs/dbraw/zinc/46/81/60/399468160.db2.gz SFFADZOQUIRKTR-LBPRGKRZSA-N 2 2 318.377 2.558 20 5 DFBDLP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602525825 399468163 /nfs/dbraw/zinc/46/81/63/399468163.db2.gz SFFADZOQUIRKTR-LBPRGKRZSA-N 2 2 318.377 2.558 20 5 DFBDLP CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@@H]1CCCC[NH2+]1 ZINC000422948256 296359764 /nfs/dbraw/zinc/35/97/64/296359764.db2.gz ROIHLFRVMGSWQI-KGLIPLIRSA-N 2 2 307.394 2.614 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423091503 296377065 /nfs/dbraw/zinc/37/70/65/296377065.db2.gz XIPIAJXIZVXQQA-NOZJJQNGSA-N 2 2 317.311 2.701 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000158641440 197290472 /nfs/dbraw/zinc/29/04/72/197290472.db2.gz ONRBCXOJFWUGSJ-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000158641440 197290474 /nfs/dbraw/zinc/29/04/74/197290474.db2.gz ONRBCXOJFWUGSJ-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641440 197290476 /nfs/dbraw/zinc/29/04/76/197290476.db2.gz ONRBCXOJFWUGSJ-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641440 197290478 /nfs/dbraw/zinc/29/04/78/197290478.db2.gz ONRBCXOJFWUGSJ-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805206 145204730 /nfs/dbraw/zinc/20/47/30/145204730.db2.gz KRJWDSHLINUQPD-OAHLLOKOSA-N 2 2 314.389 2.783 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805206 145204735 /nfs/dbraw/zinc/20/47/35/145204735.db2.gz KRJWDSHLINUQPD-OAHLLOKOSA-N 2 2 314.389 2.783 20 5 DFBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1[NH3+] ZINC000261942956 146306876 /nfs/dbraw/zinc/30/68/76/146306876.db2.gz DXVOMLCOZMOZEB-BXUZGUMPSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@H]1[NH3+] ZINC000261942956 146306879 /nfs/dbraw/zinc/30/68/79/146306879.db2.gz DXVOMLCOZMOZEB-BXUZGUMPSA-N 2 2 301.346 2.634 20 5 DFBDLP CC1=CC[N@H+](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000358132105 148254568 /nfs/dbraw/zinc/25/45/68/148254568.db2.gz GLSXPLXHEQNUKZ-GQCTYLIASA-N 2 2 301.390 2.850 20 5 DFBDLP CC1=CC[N@@H+](CC[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000358132105 148254570 /nfs/dbraw/zinc/25/45/70/148254570.db2.gz GLSXPLXHEQNUKZ-GQCTYLIASA-N 2 2 301.390 2.850 20 5 DFBDLP CC[N@H+]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000350288981 286025015 /nfs/dbraw/zinc/02/50/15/286025015.db2.gz PVSRIDYFDQRNRU-FZMZJTMJSA-N 2 2 311.813 2.721 20 5 DFBDLP CC[N@@H+]1C[C@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000350288981 286025017 /nfs/dbraw/zinc/02/50/17/286025017.db2.gz PVSRIDYFDQRNRU-FZMZJTMJSA-N 2 2 311.813 2.721 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000374214332 150323973 /nfs/dbraw/zinc/32/39/73/150323973.db2.gz XIUNHGDPDPFRHM-UHFFFAOYSA-N 2 2 316.361 2.576 20 5 DFBDLP Cc1cc(NCCc2cn(C)c[nH+]2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000313485069 268340106 /nfs/dbraw/zinc/34/01/06/268340106.db2.gz SQTZAZWBMPGWOM-UHFFFAOYSA-N 2 2 311.345 2.840 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH2+]C1CCN(c2cccc[nH+]2)CC1 ZINC000121345204 426336672 /nfs/dbraw/zinc/33/66/72/426336672.db2.gz TYKOITWCWLBWFB-UHFFFAOYSA-N 2 2 312.373 2.748 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209692 426376278 /nfs/dbraw/zinc/37/62/78/426376278.db2.gz CZKSWXFZPYNAJW-TZMCWYRMSA-N 2 2 307.394 2.738 20 5 DFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467294 /nfs/dbraw/zinc/46/72/94/426467294.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 2 2 303.406 2.962 20 5 DFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467296 /nfs/dbraw/zinc/46/72/96/426467296.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 2 2 303.406 2.962 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467299 /nfs/dbraw/zinc/46/72/99/426467299.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 2 2 303.406 2.962 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc([N+](=O)[O-])c1C ZINC000177323505 426467300 /nfs/dbraw/zinc/46/73/00/426467300.db2.gz CFBRYUQLTQXPCJ-CVEARBPZSA-N 2 2 303.406 2.962 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179393372 426785334 /nfs/dbraw/zinc/78/53/34/426785334.db2.gz JWQDCRRAWWLNQT-ZDUSSCGKSA-N 2 2 307.394 2.740 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000283106423 426953420 /nfs/dbraw/zinc/95/34/20/426953420.db2.gz MBVJDGRHBLFUND-GFCCVEGCSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1F ZINC000283106423 426953425 /nfs/dbraw/zinc/95/34/25/426953425.db2.gz MBVJDGRHBLFUND-GFCCVEGCSA-N 2 2 304.325 2.837 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292249569 427144169 /nfs/dbraw/zinc/14/41/69/427144169.db2.gz XNUZBEHQPKOMNY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292249569 427144175 /nfs/dbraw/zinc/14/41/75/427144175.db2.gz XNUZBEHQPKOMNY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292249569 427144178 /nfs/dbraw/zinc/14/41/78/427144178.db2.gz XNUZBEHQPKOMNY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292249569 427144182 /nfs/dbraw/zinc/14/41/82/427144182.db2.gz XNUZBEHQPKOMNY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP Cc1cc(NCCC[NH+](C)C)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301281432 271361469 /nfs/dbraw/zinc/36/14/69/271361469.db2.gz UAFVTUWRJMEJSD-UHFFFAOYSA-N 2 2 315.377 2.724 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000271072773 427396228 /nfs/dbraw/zinc/39/62/28/427396228.db2.gz FSNJQGYFRPSAAI-CHWSQXEVSA-N 2 2 318.377 2.929 20 5 DFBDLP C[N@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2[nH+]ccn21 ZINC000338953000 427583705 /nfs/dbraw/zinc/58/37/05/427583705.db2.gz AICGKQNGYWBEMJ-UHFFFAOYSA-N 2 2 310.357 2.917 20 5 DFBDLP C[N@@H+](CCc1cccc([N+](=O)[O-])c1)Cc1cccc2[nH+]ccn21 ZINC000338953000 427583713 /nfs/dbraw/zinc/58/37/13/427583713.db2.gz AICGKQNGYWBEMJ-UHFFFAOYSA-N 2 2 310.357 2.917 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535955 428138849 /nfs/dbraw/zinc/13/88/49/428138849.db2.gz XRDLEFDXMFRNKM-SVEBXFOSSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535955 428138855 /nfs/dbraw/zinc/13/88/55/428138855.db2.gz XRDLEFDXMFRNKM-SVEBXFOSSA-N 2 2 301.390 2.684 20 5 DFBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352546763 428144522 /nfs/dbraw/zinc/14/45/22/428144522.db2.gz ZXHISGMHUUNRHI-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352546763 428144527 /nfs/dbraw/zinc/14/45/27/428144527.db2.gz ZXHISGMHUUNRHI-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1cccc([N+](=O)[O-])c1 ZINC000352773521 428240697 /nfs/dbraw/zinc/24/06/97/428240697.db2.gz UCSWZKDAQLMXQJ-LLVKDONJSA-N 2 2 320.418 2.964 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342738 428264526 /nfs/dbraw/zinc/26/45/26/428264526.db2.gz MSZGMGSPOGSBBX-JSGCOSHPSA-N 2 2 307.394 2.738 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342738 428264529 /nfs/dbraw/zinc/26/45/29/428264529.db2.gz MSZGMGSPOGSBBX-JSGCOSHPSA-N 2 2 307.394 2.738 20 5 DFBDLP CC[C@@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000414361231 428271113 /nfs/dbraw/zinc/27/11/13/428271113.db2.gz HSJDNYHVSKKVOX-OAHLLOKOSA-N 2 2 317.393 2.635 20 5 DFBDLP C[C@@H]1[C@@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773243 428401011 /nfs/dbraw/zinc/40/10/11/428401011.db2.gz SIJQCOTZVUCVAH-ABAIWWIYSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@@H]1[C@@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773243 428401014 /nfs/dbraw/zinc/40/10/14/428401014.db2.gz SIJQCOTZVUCVAH-ABAIWWIYSA-N 2 2 301.346 2.776 20 5 DFBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CCC1 ZINC000414886337 428446363 /nfs/dbraw/zinc/44/63/63/428446363.db2.gz POMSIYUQVJIOCB-UHFFFAOYSA-N 2 2 301.346 2.826 20 5 DFBDLP COC[C@]1(C[NH2+]Cc2ccc(C(C)C)c([N+](=O)[O-])c2)CCC[NH2+]1 ZINC000414948822 428469956 /nfs/dbraw/zinc/46/99/56/428469956.db2.gz YFDLKSMWPKNPCP-QGZVFWFLSA-N 2 2 321.421 2.576 20 5 DFBDLP C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247796715 274302105 /nfs/dbraw/zinc/30/21/05/274302105.db2.gz ZSGMZDGXOXYUKO-RHSMWYFYSA-N 2 2 314.389 2.917 20 5 DFBDLP C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247796715 274302109 /nfs/dbraw/zinc/30/21/09/274302109.db2.gz ZSGMZDGXOXYUKO-RHSMWYFYSA-N 2 2 314.389 2.917 20 5 DFBDLP Cc1cc(N2CCc3c([nH+]cn3C)C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000363669638 428965192 /nfs/dbraw/zinc/96/51/92/428965192.db2.gz FLIPLVBPBRSVTC-UHFFFAOYSA-N 2 2 323.356 2.748 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435624353 429155818 /nfs/dbraw/zinc/15/58/18/429155818.db2.gz JFVHHGVLDBSGIQ-OAHLLOKOSA-N 2 2 321.421 2.956 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435624353 429155823 /nfs/dbraw/zinc/15/58/23/429155823.db2.gz JFVHHGVLDBSGIQ-OAHLLOKOSA-N 2 2 321.421 2.956 20 5 DFBDLP [NH3+]C1CC[NH+](Cc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)CC1 ZINC000434658709 429102009 /nfs/dbraw/zinc/10/20/09/429102009.db2.gz HRXLPPFDVLIQJK-UHFFFAOYSA-N 2 2 318.402 2.641 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H](C)C[NH+]1CCCCC1 ZINC000449071359 429323645 /nfs/dbraw/zinc/32/36/45/429323645.db2.gz BFNOVTKDCCVVFB-CABCVRRESA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000449084030 429327648 /nfs/dbraw/zinc/32/76/48/429327648.db2.gz WEMLQXUEVQAHBF-CABCVRRESA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000449084030 429327652 /nfs/dbraw/zinc/32/76/52/429327652.db2.gz WEMLQXUEVQAHBF-CABCVRRESA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000449188009 429353058 /nfs/dbraw/zinc/35/30/58/429353058.db2.gz FLJTXRLAJQKCJH-XJKCOSOUSA-N 2 2 303.406 2.598 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000449188009 429353062 /nfs/dbraw/zinc/35/30/62/429353062.db2.gz FLJTXRLAJQKCJH-XJKCOSOUSA-N 2 2 303.406 2.598 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427130308 429434020 /nfs/dbraw/zinc/43/40/20/429434020.db2.gz GYUDTHHARVYGQD-GOEBONIOSA-N 2 2 303.406 2.902 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427130308 429434022 /nfs/dbraw/zinc/43/40/22/429434022.db2.gz GYUDTHHARVYGQD-GOEBONIOSA-N 2 2 303.406 2.902 20 5 DFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838324 429530491 /nfs/dbraw/zinc/53/04/91/429530491.db2.gz XKFNRZPSJUMNGM-RLCCDNCMSA-N 2 2 301.390 2.654 20 5 DFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838324 429530494 /nfs/dbraw/zinc/53/04/94/429530494.db2.gz XKFNRZPSJUMNGM-RLCCDNCMSA-N 2 2 301.390 2.654 20 5 DFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246426 429668196 /nfs/dbraw/zinc/66/81/96/429668196.db2.gz WFLXIXZTSGQGMR-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246426 429668201 /nfs/dbraw/zinc/66/82/01/429668201.db2.gz WFLXIXZTSGQGMR-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246426 429668204 /nfs/dbraw/zinc/66/82/04/429668204.db2.gz WFLXIXZTSGQGMR-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246426 429668208 /nfs/dbraw/zinc/66/82/08/429668208.db2.gz WFLXIXZTSGQGMR-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156317159 295334425 /nfs/dbraw/zinc/33/44/25/295334425.db2.gz FPQFHRLIDFJJFL-ZDUSSCGKSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000156317159 295334427 /nfs/dbraw/zinc/33/44/27/295334427.db2.gz FPQFHRLIDFJJFL-ZDUSSCGKSA-N 2 2 317.320 2.782 20 5 DFBDLP C[C@H]1CC[N@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983649 301123352 /nfs/dbraw/zinc/12/33/52/301123352.db2.gz KDQUUMRHZMRHOM-WMLDXEAASA-N 2 2 317.433 2.847 20 5 DFBDLP C[C@H]1CC[N@@H+](CC[NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983649 301123354 /nfs/dbraw/zinc/12/33/54/301123354.db2.gz KDQUUMRHZMRHOM-WMLDXEAASA-N 2 2 317.433 2.847 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316064 301253158 /nfs/dbraw/zinc/25/31/58/301253158.db2.gz SXLJJZRLJNCXLN-TZMCWYRMSA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316064 301253161 /nfs/dbraw/zinc/25/31/61/301253161.db2.gz SXLJJZRLJNCXLN-TZMCWYRMSA-N 2 2 300.362 2.879 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000548635153 301601831 /nfs/dbraw/zinc/60/18/31/301601831.db2.gz RZTJXBJKFTVXEW-STQMWFEESA-N 2 2 300.362 2.765 20 5 DFBDLP C[C@@H](C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449555882 317043343 /nfs/dbraw/zinc/04/33/43/317043343.db2.gz KANBCYJHFQUYSM-OFQRWUPVSA-N 2 2 305.422 2.846 20 5 DFBDLP C[C@@H](C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-])[NH+](C)C ZINC000449555883 317043548 /nfs/dbraw/zinc/04/35/48/317043548.db2.gz KANBCYJHFQUYSM-SQWLQELKSA-N 2 2 305.422 2.846 20 5 DFBDLP CC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156551162 521640648 /nfs/dbraw/zinc/64/06/48/521640648.db2.gz QDCBSQKLQKVJET-SJORKVTESA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156551162 521640651 /nfs/dbraw/zinc/64/06/51/521640651.db2.gz QDCBSQKLQKVJET-SJORKVTESA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000083174576 398384805 /nfs/dbraw/zinc/38/48/05/398384805.db2.gz YZIUQMUUYXXTKV-GFCCVEGCSA-N 2 2 318.377 2.510 20 5 DFBDLP C[N@H+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCC[NH+](C)C1 ZINC000083174576 398384809 /nfs/dbraw/zinc/38/48/09/398384809.db2.gz YZIUQMUUYXXTKV-GFCCVEGCSA-N 2 2 318.377 2.510 20 5 DFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCC[N@H+](C)C1 ZINC000083174576 398384812 /nfs/dbraw/zinc/38/48/12/398384812.db2.gz YZIUQMUUYXXTKV-GFCCVEGCSA-N 2 2 318.377 2.510 20 5 DFBDLP C[NH+](Cc1nc2cc([N+](=O)[O-])ccc2o1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000083174576 398384814 /nfs/dbraw/zinc/38/48/14/398384814.db2.gz YZIUQMUUYXXTKV-GFCCVEGCSA-N 2 2 318.377 2.510 20 5 DFBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033096 530059718 /nfs/dbraw/zinc/05/97/18/530059718.db2.gz RQZSVIJJRRSJSH-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033096 530059719 /nfs/dbraw/zinc/05/97/19/530059719.db2.gz RQZSVIJJRRSJSH-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033096 530059720 /nfs/dbraw/zinc/05/97/20/530059720.db2.gz RQZSVIJJRRSJSH-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033096 530059721 /nfs/dbraw/zinc/05/97/21/530059721.db2.gz RQZSVIJJRRSJSH-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000595008295 398890795 /nfs/dbraw/zinc/89/07/95/398890795.db2.gz DCYFRMOOXYJXAN-MELADBBJSA-N 2 2 319.405 2.881 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000595008295 398890797 /nfs/dbraw/zinc/89/07/97/398890797.db2.gz DCYFRMOOXYJXAN-MELADBBJSA-N 2 2 319.405 2.881 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000595007675 398890955 /nfs/dbraw/zinc/89/09/55/398890955.db2.gz QKEUPUUWYOQIHF-LBPRGKRZSA-N 2 2 304.350 2.541 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000595015982 398892268 /nfs/dbraw/zinc/89/22/68/398892268.db2.gz FRXKYJPOWWSUBW-STQMWFEESA-N 2 2 307.394 2.596 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000595015982 398892270 /nfs/dbraw/zinc/89/22/70/398892270.db2.gz FRXKYJPOWWSUBW-STQMWFEESA-N 2 2 307.394 2.596 20 5 DFBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096833 398904751 /nfs/dbraw/zinc/90/47/51/398904751.db2.gz MUWCASYUZAMJNT-GDBMZVCRSA-N 2 2 305.422 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096833 398904755 /nfs/dbraw/zinc/90/47/55/398904755.db2.gz MUWCASYUZAMJNT-GDBMZVCRSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[N@@H+]1C[C@@H](C)[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063237 398915685 /nfs/dbraw/zinc/91/56/85/398915685.db2.gz XZNHWNOJYWLXIX-IAQYHMDHSA-N 2 2 300.362 2.895 20 5 DFBDLP CC[N@H+]1C[C@@H](C)[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063237 398915688 /nfs/dbraw/zinc/91/56/88/398915688.db2.gz XZNHWNOJYWLXIX-IAQYHMDHSA-N 2 2 300.362 2.895 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599071856 398917084 /nfs/dbraw/zinc/91/70/84/398917084.db2.gz UULAXZRYFYXYFA-UONOGXRCSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599071856 398917086 /nfs/dbraw/zinc/91/70/86/398917086.db2.gz UULAXZRYFYXYFA-UONOGXRCSA-N 2 2 321.421 2.986 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376282 398929329 /nfs/dbraw/zinc/92/93/29/398929329.db2.gz HFCYHWZSIJPROY-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376282 398929333 /nfs/dbraw/zinc/92/93/33/398929333.db2.gz HFCYHWZSIJPROY-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376282 398929336 /nfs/dbraw/zinc/92/93/36/398929336.db2.gz HFCYHWZSIJPROY-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376282 398929341 /nfs/dbraw/zinc/92/93/41/398929341.db2.gz HFCYHWZSIJPROY-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376281 398929587 /nfs/dbraw/zinc/92/95/87/398929587.db2.gz HFCYHWZSIJPROY-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376281 398929589 /nfs/dbraw/zinc/92/95/89/398929589.db2.gz HFCYHWZSIJPROY-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376281 398929593 /nfs/dbraw/zinc/92/95/93/398929593.db2.gz HFCYHWZSIJPROY-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@H](C)C1 ZINC000595376281 398929594 /nfs/dbraw/zinc/92/95/94/398929594.db2.gz HFCYHWZSIJPROY-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900811 399128186 /nfs/dbraw/zinc/12/81/86/399128186.db2.gz MDHPMRVHPOUNKP-AWEZNQCLSA-N 2 2 319.405 2.512 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746359 399134115 /nfs/dbraw/zinc/13/41/15/399134115.db2.gz RXGJVLUBLMAHKU-RRQGHBQHSA-N 2 2 303.406 2.896 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[N@H+]1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000600746359 399134118 /nfs/dbraw/zinc/13/41/18/399134118.db2.gz RXGJVLUBLMAHKU-RRQGHBQHSA-N 2 2 303.406 2.896 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(F)c1 ZINC000596058120 399157713 /nfs/dbraw/zinc/15/77/13/399157713.db2.gz DCONFUWVELNKSN-AWEZNQCLSA-N 2 2 321.396 2.946 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(F)c1 ZINC000596058120 399157718 /nfs/dbraw/zinc/15/77/18/399157718.db2.gz DCONFUWVELNKSN-AWEZNQCLSA-N 2 2 321.396 2.946 20 5 DFBDLP CC[N@H+]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618574642 399164752 /nfs/dbraw/zinc/16/47/52/399164752.db2.gz FFXLXHWCDZFAHK-VUCTXSBTSA-N 2 2 303.406 2.902 20 5 DFBDLP CC[N@@H+]1C[C@H]([NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)[C@@H](C)C1 ZINC000618574642 399164755 /nfs/dbraw/zinc/16/47/55/399164755.db2.gz FFXLXHWCDZFAHK-VUCTXSBTSA-N 2 2 303.406 2.902 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618574638 399164977 /nfs/dbraw/zinc/16/49/77/399164977.db2.gz FFXLXHWCDZFAHK-AFAVFJNCSA-N 2 2 303.406 2.902 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000618574638 399164982 /nfs/dbraw/zinc/16/49/82/399164982.db2.gz FFXLXHWCDZFAHK-AFAVFJNCSA-N 2 2 303.406 2.902 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CCCn4cc[nH+]c43)c2c1 ZINC000601132889 399236997 /nfs/dbraw/zinc/23/69/97/399236997.db2.gz QABGVXZYLCYSAZ-GFCCVEGCSA-N 2 2 323.356 2.751 20 5 DFBDLP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136703 399237910 /nfs/dbraw/zinc/23/79/10/399237910.db2.gz JVHWKZMWGBQEMM-NWDGAFQWSA-N 2 2 300.362 2.672 20 5 DFBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582601 399382770 /nfs/dbraw/zinc/38/27/70/399382770.db2.gz CSWGZLXXUPYRPL-NEPJUHHUSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@@H]1C[C@@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000610582601 399382775 /nfs/dbraw/zinc/38/27/75/399382775.db2.gz CSWGZLXXUPYRPL-NEPJUHHUSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@@H]1C[C@@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582601 399382776 /nfs/dbraw/zinc/38/27/76/399382776.db2.gz CSWGZLXXUPYRPL-NEPJUHHUSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@@H]1C[C@@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582601 399382780 /nfs/dbraw/zinc/38/27/80/399382780.db2.gz CSWGZLXXUPYRPL-NEPJUHHUSA-N 2 2 318.377 2.651 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000056494161 184013694 /nfs/dbraw/zinc/01/36/94/184013694.db2.gz LNEDVDSJQVRPHE-UHFFFAOYSA-N 2 2 309.435 2.964 20 5 DFBDLP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602656819 399504598 /nfs/dbraw/zinc/50/45/98/399504598.db2.gz OEHYZIHJOWJYSJ-LBPRGKRZSA-N 2 2 318.377 2.556 20 5 DFBDLP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602656819 399504601 /nfs/dbraw/zinc/50/46/01/399504601.db2.gz OEHYZIHJOWJYSJ-LBPRGKRZSA-N 2 2 318.377 2.556 20 5 DFBDLP C[C@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000348339838 285498963 /nfs/dbraw/zinc/49/89/63/285498963.db2.gz RLSCJIZVQQPVQU-YCPHGPKFSA-N 2 2 305.422 2.846 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805022 145204970 /nfs/dbraw/zinc/20/49/70/145204970.db2.gz KRJWDSHLINUQPD-HNNXBMFYSA-N 2 2 314.389 2.783 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000123805022 145204972 /nfs/dbraw/zinc/20/49/72/145204972.db2.gz KRJWDSHLINUQPD-HNNXBMFYSA-N 2 2 314.389 2.783 20 5 DFBDLP CC[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247156548 146164082 /nfs/dbraw/zinc/16/40/82/146164082.db2.gz TXXPECLTBYEBPE-DLBZAZTESA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000247156548 146164087 /nfs/dbraw/zinc/16/40/87/146164087.db2.gz TXXPECLTBYEBPE-DLBZAZTESA-N 2 2 317.433 2.990 20 5 DFBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH3+] ZINC000261983984 146315527 /nfs/dbraw/zinc/31/55/27/146315527.db2.gz JLUBUUWYMMVRBL-XHDPSFHLSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]1[NH3+] ZINC000261983984 146315534 /nfs/dbraw/zinc/31/55/34/146315534.db2.gz JLUBUUWYMMVRBL-XHDPSFHLSA-N 2 2 301.346 2.634 20 5 DFBDLP Cc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403720 150041418 /nfs/dbraw/zinc/04/14/18/150041418.db2.gz WAVCQYKZHPMQPH-IXDOHACOSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403720 150041421 /nfs/dbraw/zinc/04/14/21/150041421.db2.gz WAVCQYKZHPMQPH-IXDOHACOSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403720 150041423 /nfs/dbraw/zinc/04/14/23/150041423.db2.gz WAVCQYKZHPMQPH-IXDOHACOSA-N 2 2 315.417 2.819 20 5 DFBDLP Cc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1[N+](=O)[O-] ZINC000371403720 150041425 /nfs/dbraw/zinc/04/14/25/150041425.db2.gz WAVCQYKZHPMQPH-IXDOHACOSA-N 2 2 315.417 2.819 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247672789 158147710 /nfs/dbraw/zinc/14/77/10/158147710.db2.gz RANWCFNHQSRJHY-XJKSGUPXSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247672789 158147712 /nfs/dbraw/zinc/14/77/12/158147712.db2.gz RANWCFNHQSRJHY-XJKSGUPXSA-N 2 2 300.362 2.874 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248066407 158159798 /nfs/dbraw/zinc/15/97/98/158159798.db2.gz ZOUGJTQJCVXBEO-RHSMWYFYSA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)C1 ZINC000248066407 158159802 /nfs/dbraw/zinc/15/98/02/158159802.db2.gz ZOUGJTQJCVXBEO-RHSMWYFYSA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430585407 296797986 /nfs/dbraw/zinc/79/79/86/296797986.db2.gz SGLSMCOPVWLWQN-INIZCTEOSA-N 2 2 309.410 2.845 20 5 DFBDLP CC[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000133000316 196303655 /nfs/dbraw/zinc/30/36/55/196303655.db2.gz TXXPECLTBYEBPE-IRXDYDNUSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000133000316 196303657 /nfs/dbraw/zinc/30/36/57/196303657.db2.gz TXXPECLTBYEBPE-IRXDYDNUSA-N 2 2 317.433 2.990 20 5 DFBDLP Cc1cc(N(C)Cc2[nH+]ccn2C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000302159668 230132009 /nfs/dbraw/zinc/13/20/09/230132009.db2.gz JKVJBYTWFDGMJM-UHFFFAOYSA-N 2 2 311.345 2.821 20 5 DFBDLP CC[N@H+](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000155823312 425927790 /nfs/dbraw/zinc/92/77/90/425927790.db2.gz WNESBYFCLKQXCN-QGZVFWFLSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@@H+](CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)C1CC1 ZINC000155823312 425927793 /nfs/dbraw/zinc/92/77/93/425927793.db2.gz WNESBYFCLKQXCN-QGZVFWFLSA-N 2 2 317.433 2.990 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150779769 426261553 /nfs/dbraw/zinc/26/15/53/426261553.db2.gz TVXXDJUVXVRXFN-CQSZACIVSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150779769 426261555 /nfs/dbraw/zinc/26/15/55/426261555.db2.gz TVXXDJUVXVRXFN-CQSZACIVSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000150771731 426261686 /nfs/dbraw/zinc/26/16/86/426261686.db2.gz JYUQFXAVHFEMAR-OAHLLOKOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000150771731 426261688 /nfs/dbraw/zinc/26/16/88/426261688.db2.gz JYUQFXAVHFEMAR-OAHLLOKOSA-N 2 2 319.405 2.521 20 5 DFBDLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000096157078 426401506 /nfs/dbraw/zinc/40/15/06/426401506.db2.gz YPLRDGJDFNIVFY-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000096157078 426401509 /nfs/dbraw/zinc/40/15/09/426401509.db2.gz YPLRDGJDFNIVFY-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000096157078 426401513 /nfs/dbraw/zinc/40/15/13/426401513.db2.gz YPLRDGJDFNIVFY-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000096157078 426401516 /nfs/dbraw/zinc/40/15/16/426401516.db2.gz YPLRDGJDFNIVFY-QGZVFWFLSA-N 2 2 303.406 2.821 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123299222 426425060 /nfs/dbraw/zinc/42/50/60/426425060.db2.gz DIDZDWUJYSNJDN-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123299222 426425063 /nfs/dbraw/zinc/42/50/63/426425063.db2.gz DIDZDWUJYSNJDN-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123299222 426425066 /nfs/dbraw/zinc/42/50/66/426425066.db2.gz DIDZDWUJYSNJDN-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123299222 426425070 /nfs/dbraw/zinc/42/50/70/426425070.db2.gz DIDZDWUJYSNJDN-JSGCOSHPSA-N 2 2 307.394 2.518 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293615 426990252 /nfs/dbraw/zinc/99/02/52/426990252.db2.gz YBBVGFAIVUEIDU-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293615 426990259 /nfs/dbraw/zinc/99/02/59/426990259.db2.gz YBBVGFAIVUEIDU-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293615 426990263 /nfs/dbraw/zinc/99/02/63/426990263.db2.gz YBBVGFAIVUEIDU-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293615 426990271 /nfs/dbraw/zinc/99/02/71/426990271.db2.gz YBBVGFAIVUEIDU-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP Cc1cc(NCCn2cc[nH+]c2)nc(-c2cccc([N+](=O)[O-])c2)[nH+]1 ZINC000301227591 427783093 /nfs/dbraw/zinc/78/30/93/427783093.db2.gz CQYHEDRLUVEWDC-UHFFFAOYSA-N 2 2 324.344 2.669 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000370259125 428169596 /nfs/dbraw/zinc/16/95/96/428169596.db2.gz BKSOEMQEVDLGQP-FNORWQNLSA-N 2 2 312.373 2.931 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346691795 428278072 /nfs/dbraw/zinc/27/80/72/428278072.db2.gz WJYHUMLCZJZSBA-HNNXBMFYSA-N 2 2 309.410 2.799 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346691795 428278077 /nfs/dbraw/zinc/27/80/77/428278077.db2.gz WJYHUMLCZJZSBA-HNNXBMFYSA-N 2 2 309.410 2.799 20 5 DFBDLP O=[N+]([O-])c1ccccc1CNc1ccc(Cn2cc[nH+]c2)c[nH+]1 ZINC000353134644 428398495 /nfs/dbraw/zinc/39/84/95/428398495.db2.gz HRRREYPQORWMRK-UHFFFAOYSA-N 2 2 309.329 2.847 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347107627 428450075 /nfs/dbraw/zinc/45/00/75/428450075.db2.gz OHEPPFCBNODYTR-UHFFFAOYSA-N 2 2 303.406 2.867 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928661 428461360 /nfs/dbraw/zinc/46/13/60/428461360.db2.gz NDLCKENXFDQNLG-LRDDRELGSA-N 2 2 315.373 2.942 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363661497 428961421 /nfs/dbraw/zinc/96/14/21/428961421.db2.gz RQAJLDAWTYIXLZ-KMFMINBZSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363661497 428961424 /nfs/dbraw/zinc/96/14/24/428961424.db2.gz RQAJLDAWTYIXLZ-KMFMINBZSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363661497 428961426 /nfs/dbraw/zinc/96/14/26/428961426.db2.gz RQAJLDAWTYIXLZ-KMFMINBZSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363661497 428961430 /nfs/dbraw/zinc/96/14/30/428961430.db2.gz RQAJLDAWTYIXLZ-KMFMINBZSA-N 2 2 319.380 2.650 20 5 DFBDLP C[C@H]1C[N@H+](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154766 429135590 /nfs/dbraw/zinc/13/55/90/429135590.db2.gz HYAJRJDXPSSBAJ-TVQRCGJNSA-N 2 2 317.311 2.653 20 5 DFBDLP C[C@H]1C[N@@H+](C)C[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000487154766 429135594 /nfs/dbraw/zinc/13/55/94/429135594.db2.gz HYAJRJDXPSSBAJ-TVQRCGJNSA-N 2 2 317.311 2.653 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000449166586 429349296 /nfs/dbraw/zinc/34/92/96/429349296.db2.gz DXFNBJBXOWFNKK-DZGCQCFKSA-N 2 2 314.389 2.890 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635347 429356360 /nfs/dbraw/zinc/35/63/60/429356360.db2.gz ZQICEIXFNUQMTQ-CQSZACIVSA-N 2 2 300.362 2.708 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635347 429356366 /nfs/dbraw/zinc/35/63/66/429356366.db2.gz ZQICEIXFNUQMTQ-CQSZACIVSA-N 2 2 300.362 2.708 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1F ZINC000367297904 429615035 /nfs/dbraw/zinc/61/50/35/429615035.db2.gz GIGNBKIHNNTJHZ-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP C[N@@H+]1CCCC12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000369385934 429934434 /nfs/dbraw/zinc/93/44/34/429934434.db2.gz ZHZPMFIXPFDYMB-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP C[N@H+]1CCCC12CC[NH+](CCOc1ccccc1[N+](=O)[O-])CC2 ZINC000369385934 429934438 /nfs/dbraw/zinc/93/44/38/429934438.db2.gz ZHZPMFIXPFDYMB-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP COCC[NH+]1CCC([NH2+][C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000154849828 295307709 /nfs/dbraw/zinc/30/77/09/295307709.db2.gz WLKSSWVLNDKMKP-CQSZACIVSA-N 2 2 321.421 2.665 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764398 297204916 /nfs/dbraw/zinc/20/49/16/297204916.db2.gz KMITUOPHVHCKRH-STQMWFEESA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442764398 297204918 /nfs/dbraw/zinc/20/49/18/297204918.db2.gz KMITUOPHVHCKRH-STQMWFEESA-N 2 2 307.394 2.551 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316062 301253273 /nfs/dbraw/zinc/25/32/73/301253273.db2.gz SXLJJZRLJNCXLN-JSGCOSHPSA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000535316062 301253275 /nfs/dbraw/zinc/25/32/75/301253275.db2.gz SXLJJZRLJNCXLN-JSGCOSHPSA-N 2 2 300.362 2.879 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000578083132 318236944 /nfs/dbraw/zinc/23/69/44/318236944.db2.gz MHNCCTFHWUPOPC-OAHLLOKOSA-N 2 2 312.373 2.905 20 5 DFBDLP COCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347366 523835084 /nfs/dbraw/zinc/83/50/84/523835084.db2.gz KFLSDKKNQAFSAX-HOCLYGCPSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347366 523835088 /nfs/dbraw/zinc/83/50/88/523835088.db2.gz KFLSDKKNQAFSAX-HOCLYGCPSA-N 2 2 321.421 2.665 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261928276 535020997 /nfs/dbraw/zinc/02/09/97/535020997.db2.gz ZPJACALUZZRKSV-INIZCTEOSA-N 2 2 307.394 2.553 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261928276 535021006 /nfs/dbraw/zinc/02/10/06/535021006.db2.gz ZPJACALUZZRKSV-INIZCTEOSA-N 2 2 307.394 2.553 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000592424381 398424359 /nfs/dbraw/zinc/42/43/59/398424359.db2.gz NRYYOOIAMJKGCH-UHFFFAOYSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)c(Cl)c1 ZINC000592424381 398424360 /nfs/dbraw/zinc/42/43/60/398424360.db2.gz NRYYOOIAMJKGCH-UHFFFAOYSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000592438326 398425131 /nfs/dbraw/zinc/42/51/31/398425131.db2.gz KVDJDNAHLZATLW-BIENSFFJSA-N 2 2 301.390 2.872 20 5 DFBDLP CC[C@H]1C[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1[NH3+] ZINC000592487977 398432523 /nfs/dbraw/zinc/43/25/23/398432523.db2.gz DUOPLAXRFVJYBH-XJKSGUPXSA-N 2 2 321.421 2.941 20 5 DFBDLP CC[C@H]1C[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)CC[C@H]1[NH3+] ZINC000592487977 398432525 /nfs/dbraw/zinc/43/25/25/398432525.db2.gz DUOPLAXRFVJYBH-XJKSGUPXSA-N 2 2 321.421 2.941 20 5 DFBDLP Cc1c([C@@H](C)[NH2+][C@@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046996 398475566 /nfs/dbraw/zinc/47/55/66/398475566.db2.gz KKZGMOUCKMSCOU-DZGCQCFKSA-N 2 2 321.421 2.665 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940092 295837751 /nfs/dbraw/zinc/83/77/51/295837751.db2.gz XEXBLYIMAUACFF-LRDDRELGSA-N 2 2 315.373 2.942 20 5 DFBDLP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000415021314 295848091 /nfs/dbraw/zinc/84/80/91/295848091.db2.gz UIOZEMHFRAGTBP-UWVGGRQHSA-N 2 2 306.391 2.544 20 5 DFBDLP O=[N+]([O-])c1ccc(CCCC[NH2+]Cc2c[nH+]c3n2CCC3)cc1 ZINC000594927871 398873985 /nfs/dbraw/zinc/87/39/85/398873985.db2.gz ARLUXAUNBDFBJM-UHFFFAOYSA-N 2 2 314.389 2.850 20 5 DFBDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962806 398882561 /nfs/dbraw/zinc/88/25/61/398882561.db2.gz KJJSAAVFVAWMKF-ZDUSSCGKSA-N 2 2 307.394 2.566 20 5 DFBDLP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962806 398882563 /nfs/dbraw/zinc/88/25/63/398882563.db2.gz KJJSAAVFVAWMKF-ZDUSSCGKSA-N 2 2 307.394 2.566 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000595053406 398897873 /nfs/dbraw/zinc/89/78/73/398897873.db2.gz YAKXZIKPKFLXQO-MNOVXSKESA-N 2 2 316.361 2.535 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000595053406 398897878 /nfs/dbraw/zinc/89/78/78/398897878.db2.gz YAKXZIKPKFLXQO-MNOVXSKESA-N 2 2 316.361 2.535 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000595051859 398898357 /nfs/dbraw/zinc/89/83/57/398898357.db2.gz PDHHSJYUXWDNJY-FUDCBSFHSA-N 2 2 319.405 2.879 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000595051859 398898359 /nfs/dbraw/zinc/89/83/59/398898359.db2.gz PDHHSJYUXWDNJY-FUDCBSFHSA-N 2 2 319.405 2.879 20 5 DFBDLP Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429070 398936818 /nfs/dbraw/zinc/93/68/18/398936818.db2.gz BGYCWKJQXLPLSP-WCQYABFASA-N 2 2 322.409 2.634 20 5 DFBDLP Cc1noc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429070 398936819 /nfs/dbraw/zinc/93/68/19/398936819.db2.gz BGYCWKJQXLPLSP-WCQYABFASA-N 2 2 322.409 2.634 20 5 DFBDLP Cc1ccncc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000340108397 284152218 /nfs/dbraw/zinc/15/22/18/284152218.db2.gz KAJYVBYNCZMXET-UHFFFAOYSA-N 2 2 312.373 2.620 20 5 DFBDLP Cc1cc[nH+]cc1N1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000340108397 284152221 /nfs/dbraw/zinc/15/22/21/284152221.db2.gz KAJYVBYNCZMXET-UHFFFAOYSA-N 2 2 312.373 2.620 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705782 399120131 /nfs/dbraw/zinc/12/01/31/399120131.db2.gz AFZSVHWNTSDPMM-JKSUJKDBSA-N 2 2 301.390 2.846 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712346 399120639 /nfs/dbraw/zinc/12/06/39/399120639.db2.gz XEWQINSVOLABHZ-BLLLJJGKSA-N 2 2 319.405 2.929 20 5 DFBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000600776877 399141848 /nfs/dbraw/zinc/14/18/48/399141848.db2.gz YAWNQNWCMQRTHY-XKSIXWHQSA-N 2 2 301.390 2.539 20 5 DFBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])C2 ZINC000600776877 399141856 /nfs/dbraw/zinc/14/18/56/399141856.db2.gz YAWNQNWCMQRTHY-XKSIXWHQSA-N 2 2 301.390 2.539 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@@H+]4CCCC[C@H]4C3)c2c1 ZINC000601103562 399227595 /nfs/dbraw/zinc/22/75/95/399227595.db2.gz DSKKEILNAYQUMT-AWEZNQCLSA-N 2 2 312.373 2.818 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[N@H+]4CCCC[C@H]4C3)c2c1 ZINC000601103562 399227600 /nfs/dbraw/zinc/22/76/00/399227600.db2.gz DSKKEILNAYQUMT-AWEZNQCLSA-N 2 2 312.373 2.818 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CC=CC4)C3)c2c1 ZINC000601121261 399233392 /nfs/dbraw/zinc/23/33/92/399233392.db2.gz NKFCJDGHSFPSKN-CQSZACIVSA-N 2 2 310.357 2.594 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260231 399310516 /nfs/dbraw/zinc/31/05/16/399310516.db2.gz HTVYSDKCCKOZCE-QGZVFWFLSA-N 2 2 314.389 2.979 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260231 399310520 /nfs/dbraw/zinc/31/05/20/399310520.db2.gz HTVYSDKCCKOZCE-QGZVFWFLSA-N 2 2 314.389 2.979 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609260320 399310612 /nfs/dbraw/zinc/31/06/12/399310612.db2.gz IWBITZLTXUVTGL-OAHLLOKOSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609260320 399310615 /nfs/dbraw/zinc/31/06/15/399310615.db2.gz IWBITZLTXUVTGL-OAHLLOKOSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609260318 399311003 /nfs/dbraw/zinc/31/10/03/399311003.db2.gz IWBITZLTXUVTGL-HNNXBMFYSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000609260318 399311005 /nfs/dbraw/zinc/31/10/05/399311005.db2.gz IWBITZLTXUVTGL-HNNXBMFYSA-N 2 2 300.362 2.937 20 5 DFBDLP C[C@@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184722 217920709 /nfs/dbraw/zinc/92/07/09/217920709.db2.gz RDKXSNNAEQTFSZ-GFCCVEGCSA-N 2 2 315.377 2.725 20 5 DFBDLP C[C@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000602519383 399466514 /nfs/dbraw/zinc/46/65/14/399466514.db2.gz XWZLBKZXIRHCMJ-GFCCVEGCSA-N 2 2 318.377 2.558 20 5 DFBDLP C[C@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000119774457 195034197 /nfs/dbraw/zinc/03/41/97/195034197.db2.gz PHUUQMQOKAJQNQ-KFWWJZLASA-N 2 2 321.421 2.745 20 5 DFBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000602752351 399556498 /nfs/dbraw/zinc/55/64/98/399556498.db2.gz LRPPDMALUBAKJB-YXMMZVCTSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])[C@H]1C[NH+]2CCC1CC2 ZINC000602752351 399556499 /nfs/dbraw/zinc/55/64/99/399556499.db2.gz LRPPDMALUBAKJB-YXMMZVCTSA-N 2 2 301.390 2.634 20 5 DFBDLP C[C@@H]1CC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156530749 197121221 /nfs/dbraw/zinc/12/12/21/197121221.db2.gz ZSGMZDGXOXYUKO-PBHICJAKSA-N 2 2 314.389 2.917 20 5 DFBDLP C[C@@H]1CC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156530749 197121223 /nfs/dbraw/zinc/12/12/23/197121223.db2.gz ZSGMZDGXOXYUKO-PBHICJAKSA-N 2 2 314.389 2.917 20 5 DFBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1[NH3+] ZINC000261942960 146307666 /nfs/dbraw/zinc/30/76/66/146307666.db2.gz DXVOMLCOZMOZEB-RISCZKNCSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])o2)C[C@@H]1[NH3+] ZINC000261942960 146307668 /nfs/dbraw/zinc/30/76/68/146307668.db2.gz DXVOMLCOZMOZEB-RISCZKNCSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)C1CC1 ZINC000130747063 196106754 /nfs/dbraw/zinc/10/67/54/196106754.db2.gz WCVVEFKLAVLKMF-CXAGYDPISA-N 2 2 317.433 2.988 20 5 DFBDLP C[C@H](C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)C1CC1 ZINC000130747063 196106755 /nfs/dbraw/zinc/10/67/55/196106755.db2.gz WCVVEFKLAVLKMF-CXAGYDPISA-N 2 2 317.433 2.988 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000330584994 268353689 /nfs/dbraw/zinc/35/36/89/268353689.db2.gz UBTSMLJBMCATFK-UHFFFAOYSA-N 2 2 319.405 2.608 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(Cl)c1 ZINC000049963471 425881054 /nfs/dbraw/zinc/88/10/54/425881054.db2.gz LGGBWYJOQYSYCW-LLVKDONJSA-N 2 2 309.797 2.822 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(Cl)c1 ZINC000049963471 425881055 /nfs/dbraw/zinc/88/10/55/425881055.db2.gz LGGBWYJOQYSYCW-LLVKDONJSA-N 2 2 309.797 2.822 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515129 426116160 /nfs/dbraw/zinc/11/61/60/426116160.db2.gz JAUVYBPEMFNBAH-AWEZNQCLSA-N 2 2 321.421 2.766 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000113515129 426116162 /nfs/dbraw/zinc/11/61/62/426116162.db2.gz JAUVYBPEMFNBAH-AWEZNQCLSA-N 2 2 321.421 2.766 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131685917 426166506 /nfs/dbraw/zinc/16/65/06/426166506.db2.gz UXGWTIWKQVGKSS-HNNXBMFYSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)c(F)c1 ZINC000131685917 426166508 /nfs/dbraw/zinc/16/65/08/426166508.db2.gz UXGWTIWKQVGKSS-HNNXBMFYSA-N 2 2 317.320 2.782 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000153200804 426374617 /nfs/dbraw/zinc/37/46/17/426374617.db2.gz WFORSQMSLHWYEO-ZFWWWQNUSA-N 2 2 321.421 2.522 20 5 DFBDLP Cc1c([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000153228893 426377623 /nfs/dbraw/zinc/37/76/23/426377623.db2.gz XESQUOYCXARSTK-DZGCQCFKSA-N 2 2 321.421 2.522 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123298784 426425514 /nfs/dbraw/zinc/42/55/14/426425514.db2.gz DIDZDWUJYSNJDN-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000123298784 426425518 /nfs/dbraw/zinc/42/55/18/426425518.db2.gz DIDZDWUJYSNJDN-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123298784 426425520 /nfs/dbraw/zinc/42/55/20/426425520.db2.gz DIDZDWUJYSNJDN-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123298784 426425523 /nfs/dbraw/zinc/42/55/23/426425523.db2.gz DIDZDWUJYSNJDN-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000178292282 426599917 /nfs/dbraw/zinc/59/99/17/426599917.db2.gz DZATXSBBHMTYEJ-INIZCTEOSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178320947 426605586 /nfs/dbraw/zinc/60/55/86/426605586.db2.gz NZJHIYKXEOBGFP-INIZCTEOSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc([N+](=O)[O-])cc1 ZINC000178320947 426605593 /nfs/dbraw/zinc/60/55/93/426605593.db2.gz NZJHIYKXEOBGFP-INIZCTEOSA-N 2 2 300.362 2.764 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]CC[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000179393364 426785114 /nfs/dbraw/zinc/78/51/14/426785114.db2.gz JWQDCRRAWWLNQT-CYBMUJFWSA-N 2 2 307.394 2.740 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247006 426983749 /nfs/dbraw/zinc/98/37/49/426983749.db2.gz VBEGFULHGZDRPL-DZGCQCFKSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247006 426983755 /nfs/dbraw/zinc/98/37/55/426983755.db2.gz VBEGFULHGZDRPL-DZGCQCFKSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247006 426983762 /nfs/dbraw/zinc/98/37/62/426983762.db2.gz VBEGFULHGZDRPL-DZGCQCFKSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@H]21 ZINC000283247006 426983766 /nfs/dbraw/zinc/98/37/66/426983766.db2.gz VBEGFULHGZDRPL-DZGCQCFKSA-N 2 2 307.369 2.650 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330671058 427286631 /nfs/dbraw/zinc/28/66/31/427286631.db2.gz MJYOJMIOWKQFMH-JSGCOSHPSA-N 2 2 307.394 2.566 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330671058 427286637 /nfs/dbraw/zinc/28/66/37/427286637.db2.gz MJYOJMIOWKQFMH-JSGCOSHPSA-N 2 2 307.394 2.566 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000344820022 272374693 /nfs/dbraw/zinc/37/46/93/272374693.db2.gz WJLGMZFBULLMJZ-UZGISAJGSA-N 2 2 312.373 2.799 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000344820021 272374724 /nfs/dbraw/zinc/37/47/24/272374724.db2.gz WJLGMZFBULLMJZ-GLNPCMGASA-N 2 2 312.373 2.799 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535055 428140226 /nfs/dbraw/zinc/14/02/26/428140226.db2.gz LWYWHGRFMJJCIN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535055 428140230 /nfs/dbraw/zinc/14/02/30/428140230.db2.gz LWYWHGRFMJJCIN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535055 428140236 /nfs/dbraw/zinc/14/02/36/428140236.db2.gz LWYWHGRFMJJCIN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535055 428140239 /nfs/dbraw/zinc/14/02/39/428140239.db2.gz LWYWHGRFMJJCIN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540527 428142828 /nfs/dbraw/zinc/14/28/28/428142828.db2.gz MFVWGASVULMEBV-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(OC)c2)C1 ZINC000352540527 428142831 /nfs/dbraw/zinc/14/28/31/428142831.db2.gz MFVWGASVULMEBV-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)ccc1Cl ZINC000377772081 428222313 /nfs/dbraw/zinc/22/23/13/428222313.db2.gz FHPZTPWMHYOONF-JTQLQIEISA-N 2 2 306.753 2.618 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)ccc1Cl ZINC000377772081 428222317 /nfs/dbraw/zinc/22/23/17/428222317.db2.gz FHPZTPWMHYOONF-JTQLQIEISA-N 2 2 306.753 2.618 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560622 428346736 /nfs/dbraw/zinc/34/67/36/428346736.db2.gz GFDNWDCUAPHYAR-KRWDZBQOSA-N 2 2 319.405 2.567 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360560622 428346743 /nfs/dbraw/zinc/34/67/43/428346743.db2.gz GFDNWDCUAPHYAR-KRWDZBQOSA-N 2 2 319.405 2.567 20 5 DFBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@H]2CCC[NH2+]2)o1 ZINC000414854405 428433339 /nfs/dbraw/zinc/43/33/39/428433339.db2.gz ZJIAJVUFUCGQNS-GFCCVEGCSA-N 2 2 301.346 2.696 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000415037104 428496038 /nfs/dbraw/zinc/49/60/38/428496038.db2.gz GCXLLVYCNVRDJL-MLGOLLRUSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000415037104 428496042 /nfs/dbraw/zinc/49/60/42/428496042.db2.gz GCXLLVYCNVRDJL-MLGOLLRUSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000374774123 428748081 /nfs/dbraw/zinc/74/80/81/428748081.db2.gz AHPSXOSUUFPBCI-YCPHGPKFSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000374774123 428748084 /nfs/dbraw/zinc/74/80/84/428748084.db2.gz AHPSXOSUUFPBCI-YCPHGPKFSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000374774123 428748090 /nfs/dbraw/zinc/74/80/90/428748090.db2.gz AHPSXOSUUFPBCI-YCPHGPKFSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1F ZINC000374774123 428748094 /nfs/dbraw/zinc/74/80/94/428748094.db2.gz AHPSXOSUUFPBCI-YCPHGPKFSA-N 2 2 319.380 2.650 20 5 DFBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081780 428853185 /nfs/dbraw/zinc/85/31/85/428853185.db2.gz HQIUXANWJGYHCK-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081780 428853191 /nfs/dbraw/zinc/85/31/91/428853191.db2.gz HQIUXANWJGYHCK-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081780 428853196 /nfs/dbraw/zinc/85/31/96/428853196.db2.gz HQIUXANWJGYHCK-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000354081780 428853202 /nfs/dbraw/zinc/85/32/02/428853202.db2.gz HQIUXANWJGYHCK-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c(Cl)c1 ZINC000368081969 275035623 /nfs/dbraw/zinc/03/56/23/275035623.db2.gz REBWQLMDHWKOGU-SNVBAGLBSA-N 2 2 306.753 2.618 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c(Cl)c1 ZINC000368081969 275035626 /nfs/dbraw/zinc/03/56/26/275035626.db2.gz REBWQLMDHWKOGU-SNVBAGLBSA-N 2 2 306.753 2.618 20 5 DFBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142993 429341785 /nfs/dbraw/zinc/34/17/85/429341785.db2.gz PHHVTUYUTPVNQN-ZBFHGGJFSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142993 429341788 /nfs/dbraw/zinc/34/17/88/429341788.db2.gz PHHVTUYUTPVNQN-ZBFHGGJFSA-N 2 2 305.422 2.990 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000430207027 429663201 /nfs/dbraw/zinc/66/32/01/429663201.db2.gz PTPLOLDIBGMONH-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685880 429886511 /nfs/dbraw/zinc/88/65/11/429886511.db2.gz BZQCEGVRIXXWNQ-RYUDHWBXSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000368685880 429886512 /nfs/dbraw/zinc/88/65/12/429886512.db2.gz BZQCEGVRIXXWNQ-RYUDHWBXSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000368590769 429873540 /nfs/dbraw/zinc/87/35/40/429873540.db2.gz DXSQCOJOYBSVDA-AWEZNQCLSA-N 2 2 300.362 2.626 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000368590769 429873543 /nfs/dbraw/zinc/87/35/43/429873543.db2.gz DXSQCOJOYBSVDA-AWEZNQCLSA-N 2 2 300.362 2.626 20 5 DFBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983647 301123058 /nfs/dbraw/zinc/12/30/58/301123058.db2.gz KDQUUMRHZMRHOM-PBHICJAKSA-N 2 2 317.433 2.847 20 5 DFBDLP C[C@@H]1CC[N@@H+](CC[NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000531983647 301123060 /nfs/dbraw/zinc/12/30/60/301123060.db2.gz KDQUUMRHZMRHOM-PBHICJAKSA-N 2 2 317.433 2.847 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562838006 302008038 /nfs/dbraw/zinc/00/80/38/302008038.db2.gz YDJXLKWVBKDEOM-IRXDYDNUSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000562838006 302008040 /nfs/dbraw/zinc/00/80/40/302008040.db2.gz YDJXLKWVBKDEOM-IRXDYDNUSA-N 2 2 319.405 2.580 20 5 DFBDLP Cc1cc[nH+]cc1CCC[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000564297066 302127266 /nfs/dbraw/zinc/12/72/66/302127266.db2.gz KMFGBTHCQVTKHH-UHFFFAOYSA-N 2 2 315.373 2.899 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649835 527456355 /nfs/dbraw/zinc/45/63/55/527456355.db2.gz PSUUXTNEEALTDE-GFCCVEGCSA-N 2 2 318.352 2.847 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[N+](=O)[O-])C1 ZINC000365649835 527456360 /nfs/dbraw/zinc/45/63/60/527456360.db2.gz PSUUXTNEEALTDE-GFCCVEGCSA-N 2 2 318.352 2.847 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)c(F)c1 ZINC000585744182 398443738 /nfs/dbraw/zinc/44/37/38/398443738.db2.gz WOQXLGRABTYPHZ-UHFFFAOYSA-N 2 2 304.325 2.557 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000128219371 282972239 /nfs/dbraw/zinc/97/22/39/282972239.db2.gz UYXYGGUZTZAYKQ-QGZVFWFLSA-N 2 2 317.433 2.991 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277254823 213397223 /nfs/dbraw/zinc/39/72/23/213397223.db2.gz QMTQTCARBDJDQF-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277254823 213397226 /nfs/dbraw/zinc/39/72/26/213397226.db2.gz QMTQTCARBDJDQF-CQSZACIVSA-N 2 2 307.394 2.520 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415060127 295853147 /nfs/dbraw/zinc/85/31/47/295853147.db2.gz XZKSRGCCWNCRNZ-MGEGMALFSA-N 2 2 323.396 2.953 20 5 DFBDLP CCOc1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897073 213160437 /nfs/dbraw/zinc/16/04/37/213160437.db2.gz LATOYOVPJHYUSV-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897073 213160441 /nfs/dbraw/zinc/16/04/41/213160441.db2.gz LATOYOVPJHYUSV-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897073 213160443 /nfs/dbraw/zinc/16/04/43/213160443.db2.gz LATOYOVPJHYUSV-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)ccc1[N+](=O)[O-] ZINC000276897073 213160447 /nfs/dbraw/zinc/16/04/47/213160447.db2.gz LATOYOVPJHYUSV-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015741 398891991 /nfs/dbraw/zinc/89/19/91/398891991.db2.gz GNFKGGJDGSKYPU-KGLIPLIRSA-N 2 2 321.421 2.986 20 5 DFBDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015741 398891994 /nfs/dbraw/zinc/89/19/94/398891994.db2.gz GNFKGGJDGSKYPU-KGLIPLIRSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000595024984 398894243 /nfs/dbraw/zinc/89/42/43/398894243.db2.gz IQRHGFWLABZZBJ-RWMBFGLXSA-N 2 2 307.394 2.737 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000595024984 398894248 /nfs/dbraw/zinc/89/42/48/398894248.db2.gz IQRHGFWLABZZBJ-RWMBFGLXSA-N 2 2 307.394 2.737 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598964411 398898645 /nfs/dbraw/zinc/89/86/45/398898645.db2.gz VAZULYVKOGRWMG-ZDUSSCGKSA-N 2 2 307.394 2.566 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598964411 398898648 /nfs/dbraw/zinc/89/86/48/398898648.db2.gz VAZULYVKOGRWMG-ZDUSSCGKSA-N 2 2 307.394 2.566 20 5 DFBDLP CN(C[C@H]1CCC[N@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045212 398911943 /nfs/dbraw/zinc/91/19/43/398911943.db2.gz GSYLDONBUKEDSG-ZDUSSCGKSA-N 2 2 314.389 2.921 20 5 DFBDLP CN(C[C@H]1CCC[N@@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599045212 398911944 /nfs/dbraw/zinc/91/19/44/398911944.db2.gz GSYLDONBUKEDSG-ZDUSSCGKSA-N 2 2 314.389 2.921 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599071857 398917378 /nfs/dbraw/zinc/91/73/78/398917378.db2.gz UULAXZRYFYXYFA-ZIAGYGMSSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000599071857 398917382 /nfs/dbraw/zinc/91/73/82/398917382.db2.gz UULAXZRYFYXYFA-ZIAGYGMSSA-N 2 2 321.421 2.986 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1)CCCC2 ZINC000417309962 296008714 /nfs/dbraw/zinc/00/87/14/296008714.db2.gz GQOJMNSQYJAQFO-MRXNPFEDSA-N 2 2 300.362 2.849 20 5 DFBDLP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])CC1 ZINC000417355352 296013475 /nfs/dbraw/zinc/01/34/75/296013475.db2.gz NKQILRRLIQKZKA-GOEBONIOSA-N 2 2 317.433 2.990 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCOCC1 ZINC000153227117 398935558 /nfs/dbraw/zinc/93/55/58/398935558.db2.gz HOMAYXAFTPGLGW-ZFWWWQNUSA-N 2 2 321.421 2.522 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420400527 296186612 /nfs/dbraw/zinc/18/66/12/296186612.db2.gz IPCCJGFIMRNHAL-DZGCQCFKSA-N 2 2 321.421 2.799 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420400527 296186614 /nfs/dbraw/zinc/18/66/14/296186614.db2.gz IPCCJGFIMRNHAL-DZGCQCFKSA-N 2 2 321.421 2.799 20 5 DFBDLP Cc1cc(N[C@@H]2CC[N@@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124050 399181585 /nfs/dbraw/zinc/18/15/85/399181585.db2.gz SWXCUDCTMYNHLH-GFCCVEGCSA-N 2 2 324.450 2.545 20 5 DFBDLP Cc1cc(N[C@@H]2CC[N@H+](C3CC[NH+](C)CC3)C2)c([N+](=O)[O-])s1 ZINC000596124050 399181592 /nfs/dbraw/zinc/18/15/92/399181592.db2.gz SWXCUDCTMYNHLH-GFCCVEGCSA-N 2 2 324.450 2.545 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCCC4)C3)c2c1 ZINC000601111483 399230513 /nfs/dbraw/zinc/23/05/13/399230513.db2.gz TXBUWOSIRNDBTE-AWEZNQCLSA-N 2 2 312.373 2.818 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422721275 296321355 /nfs/dbraw/zinc/32/13/55/296321355.db2.gz UUZVVCGYQXVVHO-HOTGVXAUSA-N 2 2 313.357 2.838 20 5 DFBDLP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080812 399432899 /nfs/dbraw/zinc/43/28/99/399432899.db2.gz FDZAIMTXPYNGBQ-PVAVHDDUSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@H]([NH2+][C@H]2CCC[C@@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000611080812 399432901 /nfs/dbraw/zinc/43/29/01/399432901.db2.gz FDZAIMTXPYNGBQ-PVAVHDDUSA-N 2 2 317.433 2.990 20 5 DFBDLP Cc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611268069 399454892 /nfs/dbraw/zinc/45/48/92/399454892.db2.gz CQILZCDZRIXVNA-OAHLLOKOSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611268069 399454894 /nfs/dbraw/zinc/45/48/94/399454894.db2.gz CQILZCDZRIXVNA-OAHLLOKOSA-N 2 2 300.362 2.937 20 5 DFBDLP CC(C)[N@H+](C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511890 399464826 /nfs/dbraw/zinc/46/48/26/399464826.db2.gz VIUXJUGIWACFAM-UHFFFAOYSA-N 2 2 306.366 2.556 20 5 DFBDLP CC(C)[N@@H+](C)CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602511890 399464828 /nfs/dbraw/zinc/46/48/28/399464828.db2.gz VIUXJUGIWACFAM-UHFFFAOYSA-N 2 2 306.366 2.556 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([NH+]3CCCC3)CC2)cc1 ZINC000065223046 184315006 /nfs/dbraw/zinc/31/50/06/184315006.db2.gz UWQLEZLMRYRHMN-UHFFFAOYSA-N 2 2 319.405 2.534 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000602635464 399498332 /nfs/dbraw/zinc/49/83/32/399498332.db2.gz YYWHBSQWYNJANJ-KRWDZBQOSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000602635464 399498334 /nfs/dbraw/zinc/49/83/34/399498334.db2.gz YYWHBSQWYNJANJ-KRWDZBQOSA-N 2 2 303.406 2.744 20 5 DFBDLP CCC1([NH+](C)C)CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000602967979 399642751 /nfs/dbraw/zinc/64/27/51/399642751.db2.gz VNUYTVGXQKNJBN-UHFFFAOYSA-N 2 2 321.421 2.780 20 5 DFBDLP CCC1([NH+](C)C)CC[NH+](Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000602966621 399642768 /nfs/dbraw/zinc/64/27/68/399642768.db2.gz LYMGGTQNTJWQKA-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000293047066 533567578 /nfs/dbraw/zinc/56/75/78/533567578.db2.gz SUIZPUBHRXYZRX-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000293047066 533567584 /nfs/dbraw/zinc/56/75/84/533567584.db2.gz SUIZPUBHRXYZRX-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047066 533567586 /nfs/dbraw/zinc/56/75/86/533567586.db2.gz SUIZPUBHRXYZRX-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000293047066 533567592 /nfs/dbraw/zinc/56/75/92/533567592.db2.gz SUIZPUBHRXYZRX-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000183253177 158013583 /nfs/dbraw/zinc/01/35/83/158013583.db2.gz UCRCLYOYDMEALM-UHFFFAOYSA-N 2 2 303.406 2.963 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408894 158174065 /nfs/dbraw/zinc/17/40/65/158174065.db2.gz FNOQKOYJBWRQAZ-PBHICJAKSA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@@H](C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000248408894 158174067 /nfs/dbraw/zinc/17/40/67/158174067.db2.gz FNOQKOYJBWRQAZ-PBHICJAKSA-N 2 2 321.421 2.602 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000175258785 426292838 /nfs/dbraw/zinc/29/28/38/426292838.db2.gz NGURTVPDHFNKMK-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000175258785 426292841 /nfs/dbraw/zinc/29/28/41/426292841.db2.gz NGURTVPDHFNKMK-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000175258785 426292843 /nfs/dbraw/zinc/29/28/43/426292843.db2.gz NGURTVPDHFNKMK-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000175258785 426292846 /nfs/dbraw/zinc/29/28/46/426292846.db2.gz NGURTVPDHFNKMK-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000153200425 426374501 /nfs/dbraw/zinc/37/45/01/426374501.db2.gz WFORSQMSLHWYEO-UKRRQHHQSA-N 2 2 321.421 2.522 20 5 DFBDLP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641628 426444905 /nfs/dbraw/zinc/44/49/05/426444905.db2.gz BWPHVXBJYIZXOQ-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1[N+](=O)[O-] ZINC000123641628 426444907 /nfs/dbraw/zinc/44/49/07/426444907.db2.gz BWPHVXBJYIZXOQ-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000178307504 426605004 /nfs/dbraw/zinc/60/50/04/426605004.db2.gz WPBFLDRTEREPQR-MRXNPFEDSA-N 2 2 303.406 2.601 20 5 DFBDLP C[C@H]([NH2+]CCCNc1cccc[nH+]1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284184724 427151471 /nfs/dbraw/zinc/15/14/71/427151471.db2.gz RDKXSNNAEQTFSZ-LBPRGKRZSA-N 2 2 315.377 2.725 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000271072779 427395065 /nfs/dbraw/zinc/39/50/65/427395065.db2.gz FSNJQGYFRPSAAI-QWHCGFSZSA-N 2 2 318.377 2.929 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535354 428140311 /nfs/dbraw/zinc/14/03/11/428140311.db2.gz POTOWVUUQKCVDA-QGZVFWFLSA-N 2 2 319.405 2.569 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000352535354 428140313 /nfs/dbraw/zinc/14/03/13/428140313.db2.gz POTOWVUUQKCVDA-QGZVFWFLSA-N 2 2 319.405 2.569 20 5 DFBDLP COc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539656 428142360 /nfs/dbraw/zinc/14/23/60/428142360.db2.gz BNFBKRWEBUFGFW-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539656 428142363 /nfs/dbraw/zinc/14/23/63/428142363.db2.gz BNFBKRWEBUFGFW-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539656 428142368 /nfs/dbraw/zinc/14/23/68/428142368.db2.gz BNFBKRWEBUFGFW-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000352539656 428142374 /nfs/dbraw/zinc/14/23/74/428142374.db2.gz BNFBKRWEBUFGFW-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCC(C)CC1 ZINC000449083150 429326820 /nfs/dbraw/zinc/32/68/20/429326820.db2.gz SCKYZSRNRSLTEX-OAHLLOKOSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000449166587 429349555 /nfs/dbraw/zinc/34/95/55/429349555.db2.gz DXFNBJBXOWFNKK-HIFRSBDPSA-N 2 2 314.389 2.890 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366618327 429488303 /nfs/dbraw/zinc/48/83/03/429488303.db2.gz DTPGBMMLNUDJSN-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000366618327 429488306 /nfs/dbraw/zinc/48/83/06/429488306.db2.gz DTPGBMMLNUDJSN-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000366618327 429488311 /nfs/dbraw/zinc/48/83/11/429488311.db2.gz DTPGBMMLNUDJSN-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000366618327 429488313 /nfs/dbraw/zinc/48/83/13/429488313.db2.gz DTPGBMMLNUDJSN-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207406 429662551 /nfs/dbraw/zinc/66/25/51/429662551.db2.gz ZNBAYUPNZGYNQY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207406 429662554 /nfs/dbraw/zinc/66/25/54/429662554.db2.gz ZNBAYUPNZGYNQY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207406 429662559 /nfs/dbraw/zinc/66/25/59/429662559.db2.gz ZNBAYUPNZGYNQY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@H](C)C1 ZINC000430207406 429662564 /nfs/dbraw/zinc/66/25/64/429662564.db2.gz ZNBAYUPNZGYNQY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246431 429666841 /nfs/dbraw/zinc/66/68/41/429666841.db2.gz WFLXIXZTSGQGMR-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246431 429666844 /nfs/dbraw/zinc/66/68/44/429666844.db2.gz WFLXIXZTSGQGMR-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246431 429666848 /nfs/dbraw/zinc/66/68/48/429666848.db2.gz WFLXIXZTSGQGMR-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430246431 429666854 /nfs/dbraw/zinc/66/68/54/429666854.db2.gz WFLXIXZTSGQGMR-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430952298 429729207 /nfs/dbraw/zinc/72/92/07/429729207.db2.gz YQIYRGVOAOGZSA-IUODEOHRSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000430952298 429729211 /nfs/dbraw/zinc/72/92/11/429729211.db2.gz YQIYRGVOAOGZSA-IUODEOHRSA-N 2 2 307.394 2.551 20 5 DFBDLP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545598 429849987 /nfs/dbraw/zinc/84/99/87/429849987.db2.gz HTLVVDUELVLUEU-MRXNPFEDSA-N 2 2 314.389 2.979 20 5 DFBDLP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000451545598 429849989 /nfs/dbraw/zinc/84/99/89/429849989.db2.gz HTLVVDUELVLUEU-MRXNPFEDSA-N 2 2 314.389 2.979 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000368219574 429810209 /nfs/dbraw/zinc/81/02/09/429810209.db2.gz KQWCGPVEUFTNTR-AWEZNQCLSA-N 2 2 300.362 2.767 20 5 DFBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507156 430633227 /nfs/dbraw/zinc/63/32/27/430633227.db2.gz SCIUIHRQAGFLAV-CXAGYDPISA-N 2 2 303.406 2.904 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261923422 278036790 /nfs/dbraw/zinc/03/67/90/278036790.db2.gz BXPWSOVAJJGDIA-KRWDZBQOSA-N 2 2 303.406 2.904 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000261923422 278036791 /nfs/dbraw/zinc/03/67/91/278036791.db2.gz BXPWSOVAJJGDIA-KRWDZBQOSA-N 2 2 303.406 2.904 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534229540 301221332 /nfs/dbraw/zinc/22/13/32/301221332.db2.gz NMTLPQRAVQWDSP-UHFFFAOYSA-N 2 2 300.362 2.548 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000534229540 301221336 /nfs/dbraw/zinc/22/13/36/301221336.db2.gz NMTLPQRAVQWDSP-UHFFFAOYSA-N 2 2 300.362 2.548 20 5 DFBDLP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414788241 316657521 /nfs/dbraw/zinc/65/75/21/316657521.db2.gz DBGMBRLQLKNKMS-HNNXBMFYSA-N 2 2 303.362 2.928 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578949623 318296422 /nfs/dbraw/zinc/29/64/22/318296422.db2.gz NYVXSFPNWUUEAO-CHWSQXEVSA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578949623 318296425 /nfs/dbraw/zinc/29/64/25/318296425.db2.gz NYVXSFPNWUUEAO-CHWSQXEVSA-N 2 2 300.362 2.879 20 5 DFBDLP CC[NH+]1CCC([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000157516253 521564672 /nfs/dbraw/zinc/56/46/72/521564672.db2.gz WDCYZMLWEIGYFX-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP CC[NH+]1CCC([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000157516253 521564675 /nfs/dbraw/zinc/56/46/75/521564675.db2.gz WDCYZMLWEIGYFX-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP CCC[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000236778628 398364717 /nfs/dbraw/zinc/36/47/17/398364717.db2.gz IDUUBBTVTUGOOP-UHFFFAOYSA-N 2 2 307.394 2.567 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000586763268 398455154 /nfs/dbraw/zinc/45/51/54/398455154.db2.gz NEJNQLOGLXPCTO-NSHDSACASA-N 2 2 322.315 2.907 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000586763268 398455156 /nfs/dbraw/zinc/45/51/56/398455156.db2.gz NEJNQLOGLXPCTO-NSHDSACASA-N 2 2 322.315 2.907 20 5 DFBDLP Cn1c[nH+]cc1CC[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459501969 299122507 /nfs/dbraw/zinc/12/25/07/299122507.db2.gz FQJBLZCHZSDNBK-OAHLLOKOSA-N 2 2 314.389 2.750 20 5 DFBDLP Cn1c[nH+]cc1CC[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000459501969 299122511 /nfs/dbraw/zinc/12/25/11/299122511.db2.gz FQJBLZCHZSDNBK-OAHLLOKOSA-N 2 2 314.389 2.750 20 5 DFBDLP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000314638259 398520308 /nfs/dbraw/zinc/52/03/08/398520308.db2.gz UNPRPSDLXYLNGZ-WFASDCNBSA-N 2 2 309.797 2.809 20 5 DFBDLP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C2 ZINC000314638259 398520311 /nfs/dbraw/zinc/52/03/11/398520311.db2.gz UNPRPSDLXYLNGZ-WFASDCNBSA-N 2 2 309.797 2.809 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465683 398542858 /nfs/dbraw/zinc/54/28/58/398542858.db2.gz MCRAMIIPMNXHLK-BBRMVZONSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465683 398542861 /nfs/dbraw/zinc/54/28/61/398542861.db2.gz MCRAMIIPMNXHLK-BBRMVZONSA-N 2 2 307.369 2.698 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000152526174 186082246 /nfs/dbraw/zinc/08/22/46/186082246.db2.gz ZONZVWYNBVOFGX-ZDUSSCGKSA-N 2 2 318.377 2.931 20 5 DFBDLP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727693 398677857 /nfs/dbraw/zinc/67/78/57/398677857.db2.gz QQJKSCQXJBAQRA-UHFFFAOYSA-N 2 2 315.373 2.651 20 5 DFBDLP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cc(O)ccc1[N+](=O)[O-] ZINC000593727693 398677860 /nfs/dbraw/zinc/67/78/60/398677860.db2.gz QQJKSCQXJBAQRA-UHFFFAOYSA-N 2 2 315.373 2.651 20 5 DFBDLP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000276926526 213181350 /nfs/dbraw/zinc/18/13/50/213181350.db2.gz QAKNIFLWPGXDBE-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1[N+](=O)[O-] ZINC000276926526 213181352 /nfs/dbraw/zinc/18/13/52/213181352.db2.gz QAKNIFLWPGXDBE-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926526 213181355 /nfs/dbraw/zinc/18/13/55/213181355.db2.gz QAKNIFLWPGXDBE-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1[N+](=O)[O-] ZINC000276926526 213181357 /nfs/dbraw/zinc/18/13/57/213181357.db2.gz QAKNIFLWPGXDBE-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096834 398904558 /nfs/dbraw/zinc/90/45/58/398904558.db2.gz MUWCASYUZAMJNT-GOEBONIOSA-N 2 2 305.422 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096834 398904561 /nfs/dbraw/zinc/90/45/61/398904561.db2.gz MUWCASYUZAMJNT-GOEBONIOSA-N 2 2 305.422 2.990 20 5 DFBDLP CCN(CCC[NH+](C)C)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599068044 398916356 /nfs/dbraw/zinc/91/63/56/398916356.db2.gz BBIGFGVFUAFDGY-UHFFFAOYSA-N 2 2 302.378 2.921 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376283 398929290 /nfs/dbraw/zinc/92/92/90/398929290.db2.gz HFCYHWZSIJPROY-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376283 398929293 /nfs/dbraw/zinc/92/92/93/398929293.db2.gz HFCYHWZSIJPROY-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376283 398929297 /nfs/dbraw/zinc/92/92/97/398929297.db2.gz HFCYHWZSIJPROY-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376283 398929298 /nfs/dbraw/zinc/92/92/98/398929298.db2.gz HFCYHWZSIJPROY-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712347 399120667 /nfs/dbraw/zinc/12/06/67/399120667.db2.gz XEWQINSVOLABHZ-LRDDRELGSA-N 2 2 319.405 2.929 20 5 DFBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600727585 399126349 /nfs/dbraw/zinc/12/63/49/399126349.db2.gz XUMBQQBDIZMCIJ-YPMHNXCESA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)CC[C@@H]1C(F)(F)F ZINC000600727585 399126355 /nfs/dbraw/zinc/12/63/55/399126355.db2.gz XUMBQQBDIZMCIJ-YPMHNXCESA-N 2 2 317.311 2.554 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420370092 296181628 /nfs/dbraw/zinc/18/16/28/296181628.db2.gz YKDQNNZSDLTQOQ-OAHLLOKOSA-N 2 2 307.394 2.601 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCc3cn4c([nH+]3)CCCC4)c2c1 ZINC000601110627 399230112 /nfs/dbraw/zinc/23/01/12/399230112.db2.gz IJMDYRVIPNEORD-UHFFFAOYSA-N 2 2 323.356 2.710 20 5 DFBDLP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc[nH+]c2ccc([N+](=O)[O-])cc21 ZINC000601136705 399238231 /nfs/dbraw/zinc/23/82/31/399238231.db2.gz JVHWKZMWGBQEMM-VXGBXAGGSA-N 2 2 300.362 2.672 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258419 399310735 /nfs/dbraw/zinc/31/07/35/399310735.db2.gz UOYNTINGDLMVJT-AWEZNQCLSA-N 2 2 316.361 2.507 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000609258419 399310738 /nfs/dbraw/zinc/31/07/38/399310738.db2.gz UOYNTINGDLMVJT-AWEZNQCLSA-N 2 2 316.361 2.507 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258420 399310792 /nfs/dbraw/zinc/31/07/92/399310792.db2.gz UOYNTINGDLMVJT-CQSZACIVSA-N 2 2 316.361 2.507 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258420 399310795 /nfs/dbraw/zinc/31/07/95/399310795.db2.gz UOYNTINGDLMVJT-CQSZACIVSA-N 2 2 316.361 2.507 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000609260506 399311428 /nfs/dbraw/zinc/31/14/28/399311428.db2.gz UEARRNWRTFZHJZ-CYBMUJFWSA-N 2 2 306.391 2.998 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000609260506 399311431 /nfs/dbraw/zinc/31/14/31/399311431.db2.gz UEARRNWRTFZHJZ-CYBMUJFWSA-N 2 2 306.391 2.998 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422721277 296321446 /nfs/dbraw/zinc/32/14/46/296321446.db2.gz UUZVVCGYQXVVHO-JKSUJKDBSA-N 2 2 313.357 2.838 20 5 DFBDLP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935857 296357752 /nfs/dbraw/zinc/35/77/52/296357752.db2.gz ASPRUZVHJVYPOH-LSDHHAIUSA-N 2 2 313.357 2.838 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000423397082 296412407 /nfs/dbraw/zinc/41/24/07/296412407.db2.gz ULGNZPVOWKIOSG-SCRDCRAPSA-N 2 2 307.394 2.785 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545860 296428368 /nfs/dbraw/zinc/42/83/68/296428368.db2.gz DWNWFBAUHHGIKN-JSGCOSHPSA-N 2 2 307.394 2.786 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000366628417 131037395 /nfs/dbraw/zinc/03/73/95/131037395.db2.gz MXCGFYXOJYXJCZ-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000371695123 150082334 /nfs/dbraw/zinc/08/23/34/150082334.db2.gz WBAXVLWFDZPEEI-UHFFFAOYSA-N 2 2 319.405 2.664 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000371695123 150082338 /nfs/dbraw/zinc/08/23/38/150082338.db2.gz WBAXVLWFDZPEEI-UHFFFAOYSA-N 2 2 319.405 2.664 20 5 DFBDLP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427862209 296670637 /nfs/dbraw/zinc/67/06/37/296670637.db2.gz VLFOGKYEJTVRNF-DZGCQCFKSA-N 2 2 314.389 2.717 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000246946742 158106545 /nfs/dbraw/zinc/10/65/45/158106545.db2.gz CBYILABZBZOTQU-CZUORRHYSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000246946742 158106547 /nfs/dbraw/zinc/10/65/47/158106547.db2.gz CBYILABZBZOTQU-CZUORRHYSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000246946763 158107128 /nfs/dbraw/zinc/10/71/28/158107128.db2.gz CBYILABZBZOTQU-XJKSGUPXSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000246946763 158107129 /nfs/dbraw/zinc/10/71/29/158107129.db2.gz CBYILABZBZOTQU-XJKSGUPXSA-N 2 2 300.362 2.874 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000123799257 426453628 /nfs/dbraw/zinc/45/36/28/426453628.db2.gz VAGMUPKXEZGCQF-LBPRGKRZSA-N 2 2 320.418 2.845 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000123799257 426453631 /nfs/dbraw/zinc/45/36/31/426453631.db2.gz VAGMUPKXEZGCQF-LBPRGKRZSA-N 2 2 320.418 2.845 20 5 DFBDLP Cn1c[nH+]cc1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000290186702 426711689 /nfs/dbraw/zinc/71/16/89/426711689.db2.gz ZRTGRBLCSPHTDA-UHFFFAOYSA-N 2 2 308.769 2.656 20 5 DFBDLP Cn1c[nH+]cc1CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000290186702 426711695 /nfs/dbraw/zinc/71/16/95/426711695.db2.gz ZRTGRBLCSPHTDA-UHFFFAOYSA-N 2 2 308.769 2.656 20 5 DFBDLP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000290322177 426740530 /nfs/dbraw/zinc/74/05/30/426740530.db2.gz DCPWZTDHLFXQAV-UHFFFAOYSA-N 2 2 309.410 2.767 20 5 DFBDLP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(OC)c([N+](=O)[O-])c1 ZINC000290322177 426740533 /nfs/dbraw/zinc/74/05/33/426740533.db2.gz DCPWZTDHLFXQAV-UHFFFAOYSA-N 2 2 309.410 2.767 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000183308577 427245780 /nfs/dbraw/zinc/24/57/80/427245780.db2.gz YKLXBXFSJQTKDY-UHFFFAOYSA-N 2 2 300.362 2.937 20 5 DFBDLP C[N@H+](CCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413349250 428026675 /nfs/dbraw/zinc/02/66/75/428026675.db2.gz RCXMMQSHFYJXFF-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DFBDLP C[N@@H+](CCCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21)C1CC1 ZINC000413349250 428026682 /nfs/dbraw/zinc/02/66/82/428026682.db2.gz RCXMMQSHFYJXFF-UHFFFAOYSA-N 2 2 314.389 3.429 20 5 DFBDLP Cc1cn2c([nH+]1)CC[C@@H]([NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369884261 428084757 /nfs/dbraw/zinc/08/47/57/428084757.db2.gz YKRANRLAFKTXRA-TZMCWYRMSA-N 2 2 300.362 2.765 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(c2c[nH]c[nH+]2)CC1 ZINC000378058901 428297037 /nfs/dbraw/zinc/29/70/37/428297037.db2.gz LZMBDMJCTAAYHA-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342231 428262002 /nfs/dbraw/zinc/26/20/02/428262002.db2.gz MBCTWECALYNWOP-BHYGNILZSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2Cc2ccccc2[N+](=O)[O-])C1 ZINC000414342231 428262009 /nfs/dbraw/zinc/26/20/09/428262009.db2.gz MBCTWECALYNWOP-BHYGNILZSA-N 2 2 317.433 2.990 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925429 428459284 /nfs/dbraw/zinc/45/92/84/428459284.db2.gz JPHAQEAIOUWESG-IUODEOHRSA-N 2 2 315.373 2.942 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000415037105 428496698 /nfs/dbraw/zinc/49/66/98/428496698.db2.gz GCXLLVYCNVRDJL-WBMJQRKESA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000415037105 428496700 /nfs/dbraw/zinc/49/67/00/428496700.db2.gz GCXLLVYCNVRDJL-WBMJQRKESA-N 2 2 307.369 2.698 20 5 DFBDLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059789 428506847 /nfs/dbraw/zinc/50/68/47/428506847.db2.gz XMYVDTVCDZRANZ-CABCVRRESA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059789 428506849 /nfs/dbraw/zinc/50/68/49/428506849.db2.gz XMYVDTVCDZRANZ-CABCVRRESA-N 2 2 319.405 2.567 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000374774120 428747016 /nfs/dbraw/zinc/74/70/16/428747016.db2.gz AHPSXOSUUFPBCI-IIAWOOMASA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000374774120 428747022 /nfs/dbraw/zinc/74/70/22/428747022.db2.gz AHPSXOSUUFPBCI-IIAWOOMASA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000374774120 428747028 /nfs/dbraw/zinc/74/70/28/428747028.db2.gz AHPSXOSUUFPBCI-IIAWOOMASA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1F ZINC000374774120 428747030 /nfs/dbraw/zinc/74/70/30/428747030.db2.gz AHPSXOSUUFPBCI-IIAWOOMASA-N 2 2 319.380 2.650 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCCCCC1 ZINC000449069156 429324155 /nfs/dbraw/zinc/32/41/55/429324155.db2.gz DXLCNRQQAWQHSZ-HNNXBMFYSA-N 2 2 305.422 2.991 20 5 DFBDLP CC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142991 429341590 /nfs/dbraw/zinc/34/15/90/429341590.db2.gz PHHVTUYUTPVNQN-GOEBONIOSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142991 429341596 /nfs/dbraw/zinc/34/15/96/429341596.db2.gz PHHVTUYUTPVNQN-GOEBONIOSA-N 2 2 305.422 2.990 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000430205184 429662407 /nfs/dbraw/zinc/66/24/07/429662407.db2.gz IYLHZHIBUSCWJB-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000430205184 429662412 /nfs/dbraw/zinc/66/24/12/429662412.db2.gz IYLHZHIBUSCWJB-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357050205 276052989 /nfs/dbraw/zinc/05/29/89/276052989.db2.gz LXJUKARBAVKULU-HUUCEWRRSA-N 2 2 303.406 2.760 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357050205 276052990 /nfs/dbraw/zinc/05/29/90/276052990.db2.gz LXJUKARBAVKULU-HUUCEWRRSA-N 2 2 303.406 2.760 20 5 DFBDLP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430633682 429703963 /nfs/dbraw/zinc/70/39/63/429703963.db2.gz ALHRPUIXWBQPEF-AWEZNQCLSA-N 2 2 321.421 2.813 20 5 DFBDLP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430633682 429703965 /nfs/dbraw/zinc/70/39/65/429703965.db2.gz ALHRPUIXWBQPEF-AWEZNQCLSA-N 2 2 321.421 2.813 20 5 DFBDLP C[C@H]1CC[N@H+](CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507159 430633417 /nfs/dbraw/zinc/63/34/17/430633417.db2.gz SCIUIHRQAGFLAV-SUMWQHHRSA-N 2 2 303.406 2.904 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000363414798 289092008 /nfs/dbraw/zinc/09/20/08/289092008.db2.gz RPEPYALUFCZZRG-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000363414798 289092010 /nfs/dbraw/zinc/09/20/10/289092010.db2.gz RPEPYALUFCZZRG-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000363414798 289092012 /nfs/dbraw/zinc/09/20/12/289092012.db2.gz RPEPYALUFCZZRG-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000363414798 289092013 /nfs/dbraw/zinc/09/20/13/289092013.db2.gz RPEPYALUFCZZRG-PVAVHDDUSA-N 2 2 301.390 2.511 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000548635152 301601761 /nfs/dbraw/zinc/60/17/61/301601761.db2.gz RZTJXBJKFTVXEW-QWHCGFSZSA-N 2 2 300.362 2.765 20 5 DFBDLP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633778 398364855 /nfs/dbraw/zinc/36/48/55/398364855.db2.gz NIUALPFQVPCEGR-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633778 398364858 /nfs/dbraw/zinc/36/48/58/398364858.db2.gz NIUALPFQVPCEGR-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633778 398364862 /nfs/dbraw/zinc/36/48/62/398364862.db2.gz NIUALPFQVPCEGR-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633778 398364864 /nfs/dbraw/zinc/36/48/64/398364864.db2.gz NIUALPFQVPCEGR-MRXNPFEDSA-N 2 2 303.406 2.759 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(N3CCC([NH2+]C4CC4)CC3)c2c1 ZINC000413202836 295685962 /nfs/dbraw/zinc/68/59/62/295685962.db2.gz VIGUDPHVBIJFGG-UHFFFAOYSA-N 2 2 312.373 2.864 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+]Cc2c[nH+]c(N(C)C)n2C)cc1[N+](=O)[O-] ZINC000414368961 295793659 /nfs/dbraw/zinc/79/36/59/295793659.db2.gz UCYAVRQEMQVHRT-LBPRGKRZSA-N 2 2 317.393 2.554 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662740 299158408 /nfs/dbraw/zinc/15/84/08/299158408.db2.gz NSUQCOOSMMDRCO-JYRVWZFOSA-N 2 2 300.362 2.564 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000093865876 398648023 /nfs/dbraw/zinc/64/80/23/398648023.db2.gz KJSWIQYVHBDIAR-INIZCTEOSA-N 2 2 313.357 2.952 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000093865876 398648026 /nfs/dbraw/zinc/64/80/26/398648026.db2.gz KJSWIQYVHBDIAR-INIZCTEOSA-N 2 2 313.357 2.952 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577865 398772852 /nfs/dbraw/zinc/77/28/52/398772852.db2.gz JUQXSTKUBMSHRL-TZMCWYRMSA-N 2 2 307.394 2.786 20 5 DFBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000050954609 398815183 /nfs/dbraw/zinc/81/51/83/398815183.db2.gz IFLKFOUERHSNSG-UHFFFAOYSA-N 2 2 318.421 2.565 20 5 DFBDLP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962805 398882598 /nfs/dbraw/zinc/88/25/98/398882598.db2.gz KJJSAAVFVAWMKF-CYBMUJFWSA-N 2 2 307.394 2.566 20 5 DFBDLP COc1ccc(C[NH2+]C[C@H]2CC[N@H+]2C(C)(C)C)cc1[N+](=O)[O-] ZINC000594962805 398882602 /nfs/dbraw/zinc/88/26/02/398882602.db2.gz KJJSAAVFVAWMKF-CYBMUJFWSA-N 2 2 307.394 2.566 20 5 DFBDLP C[NH+](C)C1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599023762 398909319 /nfs/dbraw/zinc/90/93/19/398909319.db2.gz WWSWNAQDUHLJKI-UHFFFAOYSA-N 2 2 300.362 2.673 20 5 DFBDLP C[N@@H+]1CCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599044552 398912294 /nfs/dbraw/zinc/91/22/94/398912294.db2.gz ZQVIAQVOAVAJPK-GFCCVEGCSA-N 2 2 300.362 2.897 20 5 DFBDLP C[N@H+]1CCC[C@H](CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599044552 398912296 /nfs/dbraw/zinc/91/22/96/398912296.db2.gz ZQVIAQVOAVAJPK-GFCCVEGCSA-N 2 2 300.362 2.897 20 5 DFBDLP CN(CC1CC[NH+](C)CC1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599040337 398911505 /nfs/dbraw/zinc/91/15/05/398911505.db2.gz ITHNNRNQTCCTNL-UHFFFAOYSA-N 2 2 314.389 2.921 20 5 DFBDLP O=[N+]([O-])c1c(N[C@@H]2CCc3c[nH+]cn3C2)ccc2c[nH+]ccc21 ZINC000599083546 398918713 /nfs/dbraw/zinc/91/87/13/398918713.db2.gz ZILTVUVAZFAPTR-GFCCVEGCSA-N 2 2 309.329 2.766 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188420682 200243240 /nfs/dbraw/zinc/24/32/40/200243240.db2.gz PLJDLIKGIPJRBJ-INIZCTEOSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188420682 200243241 /nfs/dbraw/zinc/24/32/41/200243241.db2.gz PLJDLIKGIPJRBJ-INIZCTEOSA-N 2 2 300.362 2.764 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000595377228 398929720 /nfs/dbraw/zinc/92/97/20/398929720.db2.gz NAZBNBWILCNVRX-LBPRGKRZSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1cc(F)ccc1C[N@H+]1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000595377228 398929723 /nfs/dbraw/zinc/92/97/23/398929723.db2.gz NAZBNBWILCNVRX-LBPRGKRZSA-N 2 2 304.325 2.837 20 5 DFBDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000417385733 296015749 /nfs/dbraw/zinc/01/57/49/296015749.db2.gz XZNAXBYHUTXNMV-QGZVFWFLSA-N 2 2 314.389 2.928 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504402 398952490 /nfs/dbraw/zinc/95/24/90/398952490.db2.gz IPMOWWMNUOKHEY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504402 398952493 /nfs/dbraw/zinc/95/24/93/398952493.db2.gz IPMOWWMNUOKHEY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504402 398952495 /nfs/dbraw/zinc/95/24/95/398952495.db2.gz IPMOWWMNUOKHEY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504402 398952498 /nfs/dbraw/zinc/95/24/98/398952498.db2.gz IPMOWWMNUOKHEY-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400528 296186434 /nfs/dbraw/zinc/18/64/34/296186434.db2.gz IPCCJGFIMRNHAL-HIFRSBDPSA-N 2 2 321.421 2.799 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420400528 296186435 /nfs/dbraw/zinc/18/64/35/296186435.db2.gz IPCCJGFIMRNHAL-HIFRSBDPSA-N 2 2 321.421 2.799 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000267431678 206061179 /nfs/dbraw/zinc/06/11/79/206061179.db2.gz MRNPAZSUBUCDQE-CYBMUJFWSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1[N+](=O)[O-] ZINC000267431678 206061184 /nfs/dbraw/zinc/06/11/84/206061184.db2.gz MRNPAZSUBUCDQE-CYBMUJFWSA-N 2 2 316.361 2.706 20 5 DFBDLP C[N@@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139575 399239471 /nfs/dbraw/zinc/23/94/71/399239471.db2.gz GDOWCLUAUADNRT-SJKOYZFVSA-N 2 2 312.373 2.673 20 5 DFBDLP C[N@H+]1CC[C@@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139575 399239476 /nfs/dbraw/zinc/23/94/76/399239476.db2.gz GDOWCLUAUADNRT-SJKOYZFVSA-N 2 2 312.373 2.673 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609258487 399311124 /nfs/dbraw/zinc/31/11/24/399311124.db2.gz ZGLFVNSDHVYVSR-AWEZNQCLSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000609258487 399311126 /nfs/dbraw/zinc/31/11/26/399311126.db2.gz ZGLFVNSDHVYVSR-AWEZNQCLSA-N 2 2 316.361 2.637 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000609260507 399311609 /nfs/dbraw/zinc/31/16/09/399311609.db2.gz UEARRNWRTFZHJZ-ZDUSSCGKSA-N 2 2 306.391 2.998 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000609260507 399311610 /nfs/dbraw/zinc/31/16/10/399311610.db2.gz UEARRNWRTFZHJZ-ZDUSSCGKSA-N 2 2 306.391 2.998 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610476551 399371355 /nfs/dbraw/zinc/37/13/55/399371355.db2.gz IOSCRFBDYRKIAH-CQSZACIVSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610476551 399371358 /nfs/dbraw/zinc/37/13/58/399371358.db2.gz IOSCRFBDYRKIAH-CQSZACIVSA-N 2 2 304.325 2.768 20 5 DFBDLP C[C@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@@H+]1C ZINC000610582602 399383009 /nfs/dbraw/zinc/38/30/09/399383009.db2.gz CSWGZLXXUPYRPL-NWDGAFQWSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@H]1C[C@H]([NH+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[N@H+]1C ZINC000610582602 399383012 /nfs/dbraw/zinc/38/30/12/399383012.db2.gz CSWGZLXXUPYRPL-NWDGAFQWSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@H]1C[C@H]([N@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582602 399383013 /nfs/dbraw/zinc/38/30/13/399383013.db2.gz CSWGZLXXUPYRPL-NWDGAFQWSA-N 2 2 318.377 2.651 20 5 DFBDLP C[C@H]1C[C@H]([N@@H+](C)Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[NH+]1C ZINC000610582602 399383016 /nfs/dbraw/zinc/38/30/16/399383016.db2.gz CSWGZLXXUPYRPL-NWDGAFQWSA-N 2 2 318.377 2.651 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000111158484 194397386 /nfs/dbraw/zinc/39/73/86/194397386.db2.gz HEYCIGSDQZNAFK-CHWSQXEVSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000111158484 194397388 /nfs/dbraw/zinc/39/73/88/194397388.db2.gz HEYCIGSDQZNAFK-CHWSQXEVSA-N 2 2 309.797 2.965 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611270258 399454356 /nfs/dbraw/zinc/45/43/56/399454356.db2.gz CZXMBGUFVHBLDV-CQSZACIVSA-N 2 2 316.361 2.642 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611270258 399454359 /nfs/dbraw/zinc/45/43/59/399454359.db2.gz CZXMBGUFVHBLDV-CQSZACIVSA-N 2 2 316.361 2.642 20 5 DFBDLP O=[N+]([O-])c1ccc2oc(C[NH2+]CCC[NH+]3CCCCC3)nc2c1 ZINC000602511607 399464998 /nfs/dbraw/zinc/46/49/98/399464998.db2.gz IUSPAVYKKZZBTC-UHFFFAOYSA-N 2 2 318.377 2.702 20 5 DFBDLP O=[N+]([O-])c1cccc([C@@H]([NH2+]C[C@@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349532 296407332 /nfs/dbraw/zinc/40/73/32/296407332.db2.gz VYSNHFTXXOJIHX-KDOFPFPSSA-N 2 2 311.385 2.883 20 5 DFBDLP CCC1([NH+](C)C)CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602967870 399642662 /nfs/dbraw/zinc/64/26/62/399642662.db2.gz SWFZCUPCOHYSJV-UHFFFAOYSA-N 2 2 321.421 2.780 20 5 DFBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247022171 158113858 /nfs/dbraw/zinc/11/38/58/158113858.db2.gz LUPQONSVDYBHNA-JKSUJKDBSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247022171 158113860 /nfs/dbraw/zinc/11/38/60/158113860.db2.gz LUPQONSVDYBHNA-JKSUJKDBSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247022125 158113977 /nfs/dbraw/zinc/11/39/77/158113977.db2.gz LUPQONSVDYBHNA-HZPDHXFCSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000247022125 158113978 /nfs/dbraw/zinc/11/39/78/158113978.db2.gz LUPQONSVDYBHNA-HZPDHXFCSA-N 2 2 303.406 2.600 20 5 DFBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248030146 158156594 /nfs/dbraw/zinc/15/65/94/158156594.db2.gz QDCBSQKLQKVJET-DLBZAZTESA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000248030146 158156596 /nfs/dbraw/zinc/15/65/96/158156596.db2.gz QDCBSQKLQKVJET-DLBZAZTESA-N 2 2 317.433 2.990 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247998288 158157487 /nfs/dbraw/zinc/15/74/87/158157487.db2.gz KCOLMTCCXLFQSB-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247998288 158157491 /nfs/dbraw/zinc/15/74/91/158157491.db2.gz KCOLMTCCXLFQSB-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247998288 158157494 /nfs/dbraw/zinc/15/74/94/158157494.db2.gz KCOLMTCCXLFQSB-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247998288 158157497 /nfs/dbraw/zinc/15/74/97/158157497.db2.gz KCOLMTCCXLFQSB-XJKSGUPXSA-N 2 2 319.405 2.520 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834349 426086275 /nfs/dbraw/zinc/08/62/75/426086275.db2.gz TXWJYWMOZSNYCZ-MRXNPFEDSA-N 2 2 303.406 2.903 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834349 426086277 /nfs/dbraw/zinc/08/62/77/426086277.db2.gz TXWJYWMOZSNYCZ-MRXNPFEDSA-N 2 2 303.406 2.903 20 5 DFBDLP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000098124485 426479877 /nfs/dbraw/zinc/47/98/77/426479877.db2.gz VYXFDNRJPNCEHA-UHFFFAOYSA-N 2 2 307.394 2.567 20 5 DFBDLP CCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292047001 427068709 /nfs/dbraw/zinc/06/87/09/427068709.db2.gz BCBUKMRPNFFZFT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292047001 427068714 /nfs/dbraw/zinc/06/87/14/427068714.db2.gz BCBUKMRPNFFZFT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292047001 427068721 /nfs/dbraw/zinc/06/87/21/427068721.db2.gz BCBUKMRPNFFZFT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292047001 427068727 /nfs/dbraw/zinc/06/87/27/427068727.db2.gz BCBUKMRPNFFZFT-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292249571 427144419 /nfs/dbraw/zinc/14/44/19/427144419.db2.gz XNUZBEHQPKOMNY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292249571 427144427 /nfs/dbraw/zinc/14/44/27/427144427.db2.gz XNUZBEHQPKOMNY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292249571 427144428 /nfs/dbraw/zinc/14/44/28/427144428.db2.gz XNUZBEHQPKOMNY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292249571 427144434 /nfs/dbraw/zinc/14/44/34/427144434.db2.gz XNUZBEHQPKOMNY-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428265 427772463 /nfs/dbraw/zinc/77/24/63/427772463.db2.gz GXHIJJJPAHRRLH-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000339428265 427772466 /nfs/dbraw/zinc/77/24/66/427772466.db2.gz GXHIJJJPAHRRLH-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339428265 427772468 /nfs/dbraw/zinc/77/24/68/427772468.db2.gz GXHIJJJPAHRRLH-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339428265 427772470 /nfs/dbraw/zinc/77/24/70/427772470.db2.gz GXHIJJJPAHRRLH-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP C[N@@H+]1CCC[C@@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413435296 428047587 /nfs/dbraw/zinc/04/75/87/428047587.db2.gz HEUJOHPGUZUHCZ-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DFBDLP C[N@H+]1CCC[C@@H](CCNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413435296 428047590 /nfs/dbraw/zinc/04/75/90/428047590.db2.gz HEUJOHPGUZUHCZ-ZDUSSCGKSA-N 2 2 314.389 3.287 20 5 DFBDLP Cc1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)C2 ZINC000369884259 428084456 /nfs/dbraw/zinc/08/44/56/428084456.db2.gz YKRANRLAFKTXRA-JSGCOSHPSA-N 2 2 300.362 2.765 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535422 428138393 /nfs/dbraw/zinc/13/83/93/428138393.db2.gz QJHQSBMDEYPSRG-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535422 428138400 /nfs/dbraw/zinc/13/84/00/428138400.db2.gz QJHQSBMDEYPSRG-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535422 428138405 /nfs/dbraw/zinc/13/84/05/428138405.db2.gz QJHQSBMDEYPSRG-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535422 428138411 /nfs/dbraw/zinc/13/84/11/428138411.db2.gz QJHQSBMDEYPSRG-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CCC(c3c[nH]c[nH+]3)CC2)ccc1[N+](=O)[O-] ZINC000352772141 428240931 /nfs/dbraw/zinc/24/09/31/428240931.db2.gz PEEGKKQYDFSPFJ-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C1CC1 ZINC000414895924 428449916 /nfs/dbraw/zinc/44/99/16/428449916.db2.gz NWBJSUFNMOSGDZ-OAHLLOKOSA-N 2 2 301.346 2.682 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000415037102 428496660 /nfs/dbraw/zinc/49/66/60/428496660.db2.gz GCXLLVYCNVRDJL-BLLLJJGKSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(F)c1 ZINC000415037102 428496661 /nfs/dbraw/zinc/49/66/61/428496661.db2.gz GCXLLVYCNVRDJL-BLLLJJGKSA-N 2 2 307.369 2.698 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCCn1cc[nH+]c1 ZINC000344867660 428715331 /nfs/dbraw/zinc/71/53/31/428715331.db2.gz VUSLVVNQDATXMH-GXDHUFHOSA-N 2 2 300.362 2.875 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000376551799 429132690 /nfs/dbraw/zinc/13/26/90/429132690.db2.gz IVFOUUZBZMUHAW-CQSZACIVSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1F ZINC000376551799 429132693 /nfs/dbraw/zinc/13/26/93/429132693.db2.gz IVFOUUZBZMUHAW-CQSZACIVSA-N 2 2 317.320 2.782 20 5 DFBDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435368983 429133560 /nfs/dbraw/zinc/13/35/60/429133560.db2.gz CHHPPUJVEYSYKT-LBPRGKRZSA-N 2 2 303.387 2.856 20 5 DFBDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)s2)C1 ZINC000435368983 429133565 /nfs/dbraw/zinc/13/35/65/429133565.db2.gz CHHPPUJVEYSYKT-LBPRGKRZSA-N 2 2 303.387 2.856 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427130309 429433379 /nfs/dbraw/zinc/43/33/79/429433379.db2.gz GYUDTHHARVYGQD-HOCLYGCPSA-N 2 2 303.406 2.902 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1[N+](=O)[O-] ZINC000427130309 429433383 /nfs/dbraw/zinc/43/33/83/429433383.db2.gz GYUDTHHARVYGQD-HOCLYGCPSA-N 2 2 303.406 2.902 20 5 DFBDLP CC[C@@H]([NH2+][C@@H]1CCn2cc[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000427849910 429474162 /nfs/dbraw/zinc/47/41/62/429474162.db2.gz OGFSLMZYGOZOEJ-UKRRQHHQSA-N 2 2 300.362 2.847 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000558658687 429983521 /nfs/dbraw/zinc/98/35/21/429983521.db2.gz NXZWWVNCCMWCOA-CQSZACIVSA-N 2 2 321.421 2.813 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000558658687 429983525 /nfs/dbraw/zinc/98/35/25/429983525.db2.gz NXZWWVNCCMWCOA-CQSZACIVSA-N 2 2 321.421 2.813 20 5 DFBDLP CCCC[N@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587631 430221002 /nfs/dbraw/zinc/22/10/02/430221002.db2.gz RAUWNNQICBHGSK-HUUCEWRRSA-N 2 2 323.441 2.597 20 5 DFBDLP CCCC[N@@H+](C)CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587631 430221004 /nfs/dbraw/zinc/22/10/04/430221004.db2.gz RAUWNNQICBHGSK-HUUCEWRRSA-N 2 2 323.441 2.597 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414218 289092029 /nfs/dbraw/zinc/09/20/29/289092029.db2.gz LGTVOVNXDVZNSX-VYDXJSESSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414218 289092031 /nfs/dbraw/zinc/09/20/31/289092031.db2.gz LGTVOVNXDVZNSX-VYDXJSESSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414218 289092032 /nfs/dbraw/zinc/09/20/32/289092032.db2.gz LGTVOVNXDVZNSX-VYDXJSESSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414218 289092034 /nfs/dbraw/zinc/09/20/34/289092034.db2.gz LGTVOVNXDVZNSX-VYDXJSESSA-N 2 2 301.390 2.511 20 5 DFBDLP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cccc1[N+](=O)[O-] ZINC000292971724 533848145 /nfs/dbraw/zinc/84/81/45/533848145.db2.gz MHVIPPSOTUTGSX-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cccc1[N+](=O)[O-] ZINC000292971724 533848154 /nfs/dbraw/zinc/84/81/54/533848154.db2.gz MHVIPPSOTUTGSX-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cccc1[N+](=O)[O-] ZINC000292971724 533848161 /nfs/dbraw/zinc/84/81/61/533848161.db2.gz MHVIPPSOTUTGSX-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cccc1[N+](=O)[O-] ZINC000292971724 533848169 /nfs/dbraw/zinc/84/81/69/533848169.db2.gz MHVIPPSOTUTGSX-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873533 527835754 /nfs/dbraw/zinc/83/57/54/527835754.db2.gz SJDALFMOOGBSNN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873533 527835757 /nfs/dbraw/zinc/83/57/57/527835757.db2.gz SJDALFMOOGBSNN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873533 527835762 /nfs/dbraw/zinc/83/57/62/527835762.db2.gz SJDALFMOOGBSNN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873533 527835771 /nfs/dbraw/zinc/83/57/71/527835771.db2.gz SJDALFMOOGBSNN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584830449 398418196 /nfs/dbraw/zinc/41/81/96/398418196.db2.gz RLPJSBVPEWJNSY-DLBZAZTESA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000584830449 398418200 /nfs/dbraw/zinc/41/82/00/398418200.db2.gz RLPJSBVPEWJNSY-DLBZAZTESA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@H]1CC[NH2+]C12CCCC2 ZINC000592438328 398426154 /nfs/dbraw/zinc/42/61/54/398426154.db2.gz KVDJDNAHLZATLW-WRLNGNIRSA-N 2 2 301.390 2.872 20 5 DFBDLP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206501 398538019 /nfs/dbraw/zinc/53/80/19/398538019.db2.gz OVHDIQGNISMXBA-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206501 398538020 /nfs/dbraw/zinc/53/80/20/398538020.db2.gz OVHDIQGNISMXBA-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206501 398538023 /nfs/dbraw/zinc/53/80/23/398538023.db2.gz OVHDIQGNISMXBA-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206501 398538025 /nfs/dbraw/zinc/53/80/25/398538025.db2.gz OVHDIQGNISMXBA-CZUORRHYSA-N 2 2 307.369 2.650 20 5 DFBDLP CC1(C)CCC[NH2+][C@H]1C[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000414920889 295835367 /nfs/dbraw/zinc/83/53/67/295835367.db2.gz AKMFVMURPXJJJX-WHWKNOJMSA-N 2 2 303.406 2.976 20 5 DFBDLP COc1ccc(-c2ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024155 295848170 /nfs/dbraw/zinc/84/81/70/295848170.db2.gz YCUGXTPVTNEKQC-GHMZBOCLSA-N 2 2 319.361 2.689 20 5 DFBDLP O=[N+]([O-])c1cccc(-c2ccc(C[NH2+]C[C@@H]3C[C@H](F)C[NH2+]3)o2)c1 ZINC000591281899 398745577 /nfs/dbraw/zinc/74/55/77/398745577.db2.gz UDDMVNPMCJFPGG-STQMWFEESA-N 2 2 319.336 2.644 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@H](C)Cn1cc[nH+]c1 ZINC000595005570 398889998 /nfs/dbraw/zinc/88/99/98/398889998.db2.gz ASQNVXFUPRCARC-NEPJUHHUSA-N 2 2 304.350 2.539 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000595006418 398890086 /nfs/dbraw/zinc/89/00/86/398890086.db2.gz JRDQECGVGWSIAZ-LBPRGKRZSA-N 2 2 309.410 2.842 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000595008291 398891238 /nfs/dbraw/zinc/89/12/38/398891238.db2.gz DCYFRMOOXYJXAN-BFHYXJOUSA-N 2 2 319.405 2.881 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000595008291 398891239 /nfs/dbraw/zinc/89/12/39/398891239.db2.gz DCYFRMOOXYJXAN-BFHYXJOUSA-N 2 2 319.405 2.881 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000595017266 398892399 /nfs/dbraw/zinc/89/23/99/398892399.db2.gz LFMZACRTQUEFHD-UONOGXRCSA-N 2 2 321.421 2.986 20 5 DFBDLP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015743 398891803 /nfs/dbraw/zinc/89/18/03/398891803.db2.gz GNFKGGJDGSKYPU-ZIAGYGMSSA-N 2 2 321.421 2.986 20 5 DFBDLP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015743 398891807 /nfs/dbraw/zinc/89/18/07/398891807.db2.gz GNFKGGJDGSKYPU-ZIAGYGMSSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000595024983 398893814 /nfs/dbraw/zinc/89/38/14/398893814.db2.gz IQRHGFWLABZZBJ-FRRDWIJNSA-N 2 2 307.394 2.737 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000595024983 398893816 /nfs/dbraw/zinc/89/38/16/398893816.db2.gz IQRHGFWLABZZBJ-FRRDWIJNSA-N 2 2 307.394 2.737 20 5 DFBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094129 398904626 /nfs/dbraw/zinc/90/46/26/398904626.db2.gz DOENBEARLUDXNF-DLBZAZTESA-N 2 2 317.433 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094129 398904629 /nfs/dbraw/zinc/90/46/29/398904629.db2.gz DOENBEARLUDXNF-DLBZAZTESA-N 2 2 317.433 2.990 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000470179545 299293634 /nfs/dbraw/zinc/29/36/34/299293634.db2.gz YXDJBCAEEOYJLW-IEVHZMJVSA-N 2 2 301.390 2.682 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000470179545 299293636 /nfs/dbraw/zinc/29/36/36/299293636.db2.gz YXDJBCAEEOYJLW-IEVHZMJVSA-N 2 2 301.390 2.682 20 5 DFBDLP O=[N+]([O-])c1c2cc[nH+]cc2ccc1N1CCC([NH2+]C2CC2)CC1 ZINC000599057948 398914597 /nfs/dbraw/zinc/91/45/97/398914597.db2.gz DCJKQLVYUPDXPL-UHFFFAOYSA-N 2 2 312.373 2.864 20 5 DFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343942 398925191 /nfs/dbraw/zinc/92/51/91/398925191.db2.gz ILHKNHMGNDZQIM-ZDUSSCGKSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343942 398925198 /nfs/dbraw/zinc/92/51/98/398925198.db2.gz ILHKNHMGNDZQIM-ZDUSSCGKSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343942 398925200 /nfs/dbraw/zinc/92/52/00/398925200.db2.gz ILHKNHMGNDZQIM-ZDUSSCGKSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343942 398925202 /nfs/dbraw/zinc/92/52/02/398925202.db2.gz ILHKNHMGNDZQIM-ZDUSSCGKSA-N 2 2 309.385 2.898 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708256 399120860 /nfs/dbraw/zinc/12/08/60/399120860.db2.gz DUZLIRXBLCFAFD-DYEKYZERSA-N 2 2 307.394 2.785 20 5 DFBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600725308 399125680 /nfs/dbraw/zinc/12/56/80/399125680.db2.gz ISSMOKNGXCRGQV-VXGBXAGGSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600725308 399125683 /nfs/dbraw/zinc/12/56/83/399125683.db2.gz ISSMOKNGXCRGQV-VXGBXAGGSA-N 2 2 317.311 2.554 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906614 399130557 /nfs/dbraw/zinc/13/05/57/399130557.db2.gz MBUBPCZSMPXRIH-HUUCEWRRSA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906614 399130560 /nfs/dbraw/zinc/13/05/60/399130560.db2.gz MBUBPCZSMPXRIH-HUUCEWRRSA-N 2 2 321.421 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257695 399310558 /nfs/dbraw/zinc/31/05/58/399310558.db2.gz CLPNZYGCCNLFKR-GFCCVEGCSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609257695 399310560 /nfs/dbraw/zinc/31/05/60/399310560.db2.gz CLPNZYGCCNLFKR-GFCCVEGCSA-N 2 2 304.325 2.768 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109792832 194285863 /nfs/dbraw/zinc/28/58/63/194285863.db2.gz DHBSDGOLIKEHGM-UHFFFAOYSA-N 2 2 316.361 2.637 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)c1 ZINC000109796205 194286986 /nfs/dbraw/zinc/28/69/86/194286986.db2.gz CYINDXCHPMIKHE-UHFFFAOYSA-N 2 2 316.361 2.507 20 5 DFBDLP C[N@@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804180 399407786 /nfs/dbraw/zinc/40/77/86/399407786.db2.gz MCBMINGJCRETFH-HZPDHXFCSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804180 399407787 /nfs/dbraw/zinc/40/77/87/399407787.db2.gz MCBMINGJCRETFH-HZPDHXFCSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804181 399407949 /nfs/dbraw/zinc/40/79/49/399407949.db2.gz MCBMINGJCRETFH-JKSUJKDBSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@H]([NH2+][C@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804181 399407950 /nfs/dbraw/zinc/40/79/50/399407950.db2.gz MCBMINGJCRETFH-JKSUJKDBSA-N 2 2 303.406 2.600 20 5 DFBDLP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090207 296377180 /nfs/dbraw/zinc/37/71/80/296377180.db2.gz UWYMRLVBGGAFDR-NEPJUHHUSA-N 2 2 303.284 2.583 20 5 DFBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423190391 296390288 /nfs/dbraw/zinc/39/02/88/296390288.db2.gz NVYJAZURGGEKDZ-QWHCGFSZSA-N 2 2 309.435 2.807 20 5 DFBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[NH2+]C1 ZINC000423190390 296390508 /nfs/dbraw/zinc/39/05/08/296390508.db2.gz NVYJAZURGGEKDZ-OLZOCXBDSA-N 2 2 309.435 2.807 20 5 DFBDLP C[NH+]1CCC([NH+]2CCC(Nc3ccsc3[N+](=O)[O-])CC2)CC1 ZINC000604520293 399852275 /nfs/dbraw/zinc/85/22/75/399852275.db2.gz KDZLBQYELGEXES-UHFFFAOYSA-N 2 2 324.450 2.627 20 5 DFBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000262137811 146338202 /nfs/dbraw/zinc/33/82/02/146338202.db2.gz YUQMIPDCXOMTDW-IAQYHMDHSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000262137811 146338205 /nfs/dbraw/zinc/33/82/05/146338205.db2.gz YUQMIPDCXOMTDW-IAQYHMDHSA-N 2 2 301.346 2.634 20 5 DFBDLP CC[N@@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288982 286025010 /nfs/dbraw/zinc/02/50/10/286025010.db2.gz PVSRIDYFDQRNRU-RISCZKNCSA-N 2 2 311.813 2.721 20 5 DFBDLP CC[N@H+]1C[C@@H](C)[C@@H]([NH2+]CCc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000350288982 286025011 /nfs/dbraw/zinc/02/50/11/286025011.db2.gz PVSRIDYFDQRNRU-RISCZKNCSA-N 2 2 311.813 2.721 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351862505 286233967 /nfs/dbraw/zinc/23/39/67/286233967.db2.gz PRHJYUWBTRMJSP-CHWSQXEVSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351862505 286233968 /nfs/dbraw/zinc/23/39/68/286233968.db2.gz PRHJYUWBTRMJSP-CHWSQXEVSA-N 2 2 307.394 2.551 20 5 DFBDLP Cc1cc(NC[C@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299393438 229094365 /nfs/dbraw/zinc/09/43/65/229094365.db2.gz OUYFBGIVVUBHKV-LBPRGKRZSA-N 2 2 315.377 2.722 20 5 DFBDLP Cc1cc(NC[C@@H](C)[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000299393435 229094389 /nfs/dbraw/zinc/09/43/89/229094389.db2.gz OUYFBGIVVUBHKV-GFCCVEGCSA-N 2 2 315.377 2.722 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158545032 425943866 /nfs/dbraw/zinc/94/38/66/425943866.db2.gz LJQCJGAHHNUTMV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158545032 425943868 /nfs/dbraw/zinc/94/38/68/425943868.db2.gz LJQCJGAHHNUTMV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158545032 425943871 /nfs/dbraw/zinc/94/38/71/425943871.db2.gz LJQCJGAHHNUTMV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158545032 425943874 /nfs/dbraw/zinc/94/38/74/425943874.db2.gz LJQCJGAHHNUTMV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP CC[C@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272227 426378008 /nfs/dbraw/zinc/37/80/08/426378008.db2.gz VVUGLXQFVLRSNQ-PBHICJAKSA-N 2 2 321.421 2.604 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000123762974 426453240 /nfs/dbraw/zinc/45/32/40/426453240.db2.gz DBQNSURNRICBOH-CQSZACIVSA-N 2 2 314.389 2.783 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000123762974 426453244 /nfs/dbraw/zinc/45/32/44/426453244.db2.gz DBQNSURNRICBOH-CQSZACIVSA-N 2 2 314.389 2.783 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177690569 426506138 /nfs/dbraw/zinc/50/61/38/426506138.db2.gz ARHLBEPRAWMGFM-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000177690569 426506143 /nfs/dbraw/zinc/50/61/43/426506143.db2.gz ARHLBEPRAWMGFM-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000177690569 426506146 /nfs/dbraw/zinc/50/61/46/426506146.db2.gz ARHLBEPRAWMGFM-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000177690569 426506151 /nfs/dbraw/zinc/50/61/51/426506151.db2.gz ARHLBEPRAWMGFM-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[NH+]1CCCC1)C1CC1 ZINC000178307489 426603435 /nfs/dbraw/zinc/60/34/35/426603435.db2.gz WPBFLDRTEREPQR-INIZCTEOSA-N 2 2 303.406 2.601 20 5 DFBDLP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccc([N+](=O)[O-])cc1Cl ZINC000183809129 427345499 /nfs/dbraw/zinc/34/54/99/427345499.db2.gz IUYAFLKNWUZYJG-UHFFFAOYSA-N 2 2 320.780 2.999 20 5 DFBDLP C[NH+](C)CC1CC[NH+](Cc2c(F)cc([N+](=O)[O-])cc2F)CC1 ZINC000351860005 428114420 /nfs/dbraw/zinc/11/44/20/428114420.db2.gz XVMMBTPMZLSNSL-UHFFFAOYSA-N 2 2 313.348 2.647 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535957 428138988 /nfs/dbraw/zinc/13/89/88/428138988.db2.gz XRDLEFDXMFRNKM-ZVVFDCPKSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000352535957 428138993 /nfs/dbraw/zinc/13/89/93/428138993.db2.gz XRDLEFDXMFRNKM-ZVVFDCPKSA-N 2 2 301.390 2.684 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000414128116 428214804 /nfs/dbraw/zinc/21/48/04/428214804.db2.gz RBWVWHXLCBXCDE-LBPRGKRZSA-N 2 2 318.377 2.620 20 5 DFBDLP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCn2cc[nH+]c2C1 ZINC000377677611 428193925 /nfs/dbraw/zinc/19/39/25/428193925.db2.gz KZRLLMRRCARDSN-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@H]1CCn2cc[nH+]c2C1 ZINC000377677611 428193928 /nfs/dbraw/zinc/19/39/28/428193928.db2.gz KZRLLMRRCARDSN-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1[N+](=O)[O-] ZINC000414855064 428436996 /nfs/dbraw/zinc/43/69/96/428436996.db2.gz VWNYQNWLTCCKEF-AWEZNQCLSA-N 2 2 307.394 2.601 20 5 DFBDLP CC(C)[C@H]([NH3+])C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414802385 428417374 /nfs/dbraw/zinc/41/73/74/428417374.db2.gz VPYXZQKMRUPHAS-CQSZACIVSA-N 2 2 320.418 2.791 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000344828995 428710408 /nfs/dbraw/zinc/71/04/08/428710408.db2.gz QMDAKDGMEPCDKO-CTXBLAANSA-N 2 2 301.390 2.824 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000344828995 428710415 /nfs/dbraw/zinc/71/04/15/428710415.db2.gz QMDAKDGMEPCDKO-CTXBLAANSA-N 2 2 301.390 2.824 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000365631407 429354955 /nfs/dbraw/zinc/35/49/55/429354955.db2.gz QQDGSXFRRYVHMA-OAHLLOKOSA-N 2 2 314.389 2.750 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C1 ZINC000365631407 429354958 /nfs/dbraw/zinc/35/49/58/429354958.db2.gz QQDGSXFRRYVHMA-OAHLLOKOSA-N 2 2 314.389 2.750 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365731123 429363922 /nfs/dbraw/zinc/36/39/22/429363922.db2.gz BJZIFEPGBCSWRH-OAHLLOKOSA-N 2 2 317.320 2.782 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1CC[C@@H](Oc2cc[nH+]cc2)C1 ZINC000365731123 429363927 /nfs/dbraw/zinc/36/39/27/429363927.db2.gz BJZIFEPGBCSWRH-OAHLLOKOSA-N 2 2 317.320 2.782 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207409 429663363 /nfs/dbraw/zinc/66/33/63/429663363.db2.gz ZNBAYUPNZGYNQY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207409 429663368 /nfs/dbraw/zinc/66/33/68/429663368.db2.gz ZNBAYUPNZGYNQY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207409 429663372 /nfs/dbraw/zinc/66/33/72/429663372.db2.gz ZNBAYUPNZGYNQY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)[C@@H](C)C1 ZINC000430207409 429663374 /nfs/dbraw/zinc/66/33/74/429663374.db2.gz ZNBAYUPNZGYNQY-XJKSGUPXSA-N 2 2 321.421 2.766 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000526053226 429698205 /nfs/dbraw/zinc/69/82/05/429698205.db2.gz ZGLIZODSIHXVJA-MFYHJKBNSA-N 2 2 303.406 2.930 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000526053226 429698210 /nfs/dbraw/zinc/69/82/10/429698210.db2.gz ZGLIZODSIHXVJA-MFYHJKBNSA-N 2 2 303.406 2.930 20 5 DFBDLP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430633685 429703655 /nfs/dbraw/zinc/70/36/55/429703655.db2.gz ALHRPUIXWBQPEF-CQSZACIVSA-N 2 2 321.421 2.813 20 5 DFBDLP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(C)C)C1 ZINC000430633685 429703658 /nfs/dbraw/zinc/70/36/58/429703658.db2.gz ALHRPUIXWBQPEF-CQSZACIVSA-N 2 2 321.421 2.813 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012283 277084134 /nfs/dbraw/zinc/08/41/34/277084134.db2.gz LJQCJGAHHNUTMV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012283 277084135 /nfs/dbraw/zinc/08/41/35/277084135.db2.gz LJQCJGAHHNUTMV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012283 277084137 /nfs/dbraw/zinc/08/41/37/277084137.db2.gz LJQCJGAHHNUTMV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012283 277084138 /nfs/dbraw/zinc/08/41/38/277084138.db2.gz LJQCJGAHHNUTMV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549806008 430532535 /nfs/dbraw/zinc/53/25/35/430532535.db2.gz BRRQBAPRTFKNMX-UHFFFAOYSA-N 2 2 321.421 2.853 20 5 DFBDLP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000549806008 430532537 /nfs/dbraw/zinc/53/25/37/430532537.db2.gz BRRQBAPRTFKNMX-UHFFFAOYSA-N 2 2 321.421 2.853 20 5 DFBDLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095619 430627742 /nfs/dbraw/zinc/62/77/42/430627742.db2.gz RLSCJIZVQQPVQU-LZWOXQAQSA-N 2 2 305.422 2.846 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357050208 278036848 /nfs/dbraw/zinc/03/68/48/278036848.db2.gz LXJUKARBAVKULU-LSDHHAIUSA-N 2 2 303.406 2.760 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000357050208 278036849 /nfs/dbraw/zinc/03/68/49/278036849.db2.gz LXJUKARBAVKULU-LSDHHAIUSA-N 2 2 303.406 2.760 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414216 289091191 /nfs/dbraw/zinc/09/11/91/289091191.db2.gz LGTVOVNXDVZNSX-HLLBOEOZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414216 289091192 /nfs/dbraw/zinc/09/11/92/289091192.db2.gz LGTVOVNXDVZNSX-HLLBOEOZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414216 289091193 /nfs/dbraw/zinc/09/11/93/289091193.db2.gz LGTVOVNXDVZNSX-HLLBOEOZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414216 289091194 /nfs/dbraw/zinc/09/11/94/289091194.db2.gz LGTVOVNXDVZNSX-HLLBOEOZSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414217 289092106 /nfs/dbraw/zinc/09/21/06/289092106.db2.gz LGTVOVNXDVZNSX-INMHGKMJSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414217 289092108 /nfs/dbraw/zinc/09/21/08/289092108.db2.gz LGTVOVNXDVZNSX-INMHGKMJSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414217 289092110 /nfs/dbraw/zinc/09/21/10/289092110.db2.gz LGTVOVNXDVZNSX-INMHGKMJSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414217 289092113 /nfs/dbraw/zinc/09/21/13/289092113.db2.gz LGTVOVNXDVZNSX-INMHGKMJSA-N 2 2 301.390 2.511 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316060 301253022 /nfs/dbraw/zinc/25/30/22/301253022.db2.gz SXLJJZRLJNCXLN-GXTWGEPZSA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000535316060 301253024 /nfs/dbraw/zinc/25/30/24/301253024.db2.gz SXLJJZRLJNCXLN-GXTWGEPZSA-N 2 2 300.362 2.879 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562838005 302007850 /nfs/dbraw/zinc/00/78/50/302007850.db2.gz YDJXLKWVBKDEOM-IAGOWNOFSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562838005 302007852 /nfs/dbraw/zinc/00/78/52/302007852.db2.gz YDJXLKWVBKDEOM-IAGOWNOFSA-N 2 2 319.405 2.580 20 5 DFBDLP C[N@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181078441 316050611 /nfs/dbraw/zinc/05/06/11/316050611.db2.gz XQHOJNNCBRNRRB-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP C[N@@H+](CCCn1cc[nH+]c1)Cc1ccc(Cl)cc1[N+](=O)[O-] ZINC000181078441 316050616 /nfs/dbraw/zinc/05/06/16/316050616.db2.gz XQHOJNNCBRNRRB-UHFFFAOYSA-N 2 2 308.769 2.967 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578949720 318296503 /nfs/dbraw/zinc/29/65/03/318296503.db2.gz NYVXSFPNWUUEAO-QWHCGFSZSA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@@H](c2[nH+]ccn2C)C1 ZINC000578949720 318296504 /nfs/dbraw/zinc/29/65/04/318296504.db2.gz NYVXSFPNWUUEAO-QWHCGFSZSA-N 2 2 300.362 2.879 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465685 398542926 /nfs/dbraw/zinc/54/29/26/398542926.db2.gz MCRAMIIPMNXHLK-CJNGLKHVSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465685 398542930 /nfs/dbraw/zinc/54/29/30/398542930.db2.gz MCRAMIIPMNXHLK-CJNGLKHVSA-N 2 2 307.369 2.698 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCc1cn(C)c[nH+]1 ZINC000459662741 299158781 /nfs/dbraw/zinc/15/87/81/299158781.db2.gz NSUQCOOSMMDRCO-MDWZMJQESA-N 2 2 300.362 2.564 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000152590538 186087993 /nfs/dbraw/zinc/08/79/93/186087993.db2.gz JJZDPNAFSRWYEU-LBPRGKRZSA-N 2 2 304.350 2.541 20 5 DFBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+][C@@H]2CC[NH2+]C2)s1 ZINC000414889866 295830707 /nfs/dbraw/zinc/83/07/07/295830707.db2.gz ULNKMHBDPHTPJC-LLVKDONJSA-N 2 2 303.387 2.775 20 5 DFBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 ZINC000414925512 295836074 /nfs/dbraw/zinc/83/60/74/295836074.db2.gz ICOSIWVCLDLFHC-SECBINFHSA-N 2 2 309.753 2.945 20 5 DFBDLP COc1ccc(-c2ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000415024156 295848098 /nfs/dbraw/zinc/84/80/98/295848098.db2.gz YCUGXTPVTNEKQC-MNOVXSKESA-N 2 2 319.361 2.689 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577862 398772997 /nfs/dbraw/zinc/77/29/97/398772997.db2.gz JUQXSTKUBMSHRL-GXTWGEPZSA-N 2 2 307.394 2.786 20 5 DFBDLP CC(C)([NH2+]Cc1c[nH+]c2n1CCC2)c1ccccc1[N+](=O)[O-] ZINC000594944907 398878345 /nfs/dbraw/zinc/87/83/45/398878345.db2.gz SLCKUCOAMGNPKI-UHFFFAOYSA-N 2 2 300.362 2.762 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCn1cc[nH+]c1 ZINC000595007674 398890852 /nfs/dbraw/zinc/89/08/52/398890852.db2.gz QKEUPUUWYOQIHF-GFCCVEGCSA-N 2 2 304.350 2.541 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420660 200242855 /nfs/dbraw/zinc/24/28/55/200242855.db2.gz PLJDLIKGIPJRBJ-MRXNPFEDSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1 ZINC000188420660 200242856 /nfs/dbraw/zinc/24/28/56/200242856.db2.gz PLJDLIKGIPJRBJ-MRXNPFEDSA-N 2 2 300.362 2.764 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376284 398929441 /nfs/dbraw/zinc/92/94/41/398929441.db2.gz HFCYHWZSIJPROY-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376284 398929444 /nfs/dbraw/zinc/92/94/44/398929444.db2.gz HFCYHWZSIJPROY-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376284 398929449 /nfs/dbraw/zinc/92/94/49/398929449.db2.gz HFCYHWZSIJPROY-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(F)cc2[N+](=O)[O-])[C@@H](C)C1 ZINC000595376284 398929453 /nfs/dbraw/zinc/92/94/53/398929453.db2.gz HFCYHWZSIJPROY-WFASDCNBSA-N 2 2 309.385 2.896 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506727 398953528 /nfs/dbraw/zinc/95/35/28/398953528.db2.gz GZPVCETUQXJNRM-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595506727 398953532 /nfs/dbraw/zinc/95/35/32/398953532.db2.gz GZPVCETUQXJNRM-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595506727 398953535 /nfs/dbraw/zinc/95/35/35/398953535.db2.gz GZPVCETUQXJNRM-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595506727 398953538 /nfs/dbraw/zinc/95/35/38/398953538.db2.gz GZPVCETUQXJNRM-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP C[N@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093633622 193277453 /nfs/dbraw/zinc/27/74/53/193277453.db2.gz IAHVJOXQKXHNLR-PBWFPOADSA-N 2 2 309.797 2.963 20 5 DFBDLP C[N@@H+](Cc1cc(Cl)ccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000093633622 193277454 /nfs/dbraw/zinc/27/74/54/193277454.db2.gz IAHVJOXQKXHNLR-PBWFPOADSA-N 2 2 309.797 2.963 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904791 399129327 /nfs/dbraw/zinc/12/93/27/399129327.db2.gz LACLIIVYCUWADR-YOEHRIQHSA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904791 399129329 /nfs/dbraw/zinc/12/93/29/399129329.db2.gz LACLIIVYCUWADR-YOEHRIQHSA-N 2 2 321.421 2.698 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cs1 ZINC000596059880 399158593 /nfs/dbraw/zinc/15/85/93/399158593.db2.gz VHODJXADPVWXJT-CYBMUJFWSA-N 2 2 309.435 2.868 20 5 DFBDLP O=[N+]([O-])c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cs1 ZINC000596059880 399158597 /nfs/dbraw/zinc/15/85/97/399158597.db2.gz VHODJXADPVWXJT-CYBMUJFWSA-N 2 2 309.435 2.868 20 5 DFBDLP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614779898 399267352 /nfs/dbraw/zinc/26/73/52/399267352.db2.gz NZMFXJQDMSQLRU-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614779898 399267356 /nfs/dbraw/zinc/26/73/56/399267356.db2.gz NZMFXJQDMSQLRU-LBPRGKRZSA-N 2 2 318.352 2.625 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257667 399310920 /nfs/dbraw/zinc/31/09/20/399310920.db2.gz BWVHLYNGFQRBGO-OAHLLOKOSA-N 2 2 316.361 2.507 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000609257667 399310922 /nfs/dbraw/zinc/31/09/22/399310922.db2.gz BWVHLYNGFQRBGO-OAHLLOKOSA-N 2 2 316.361 2.507 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619531377 399358903 /nfs/dbraw/zinc/35/89/03/399358903.db2.gz ZDPRWMBBTAPQCC-HNNXBMFYSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000619531377 399358906 /nfs/dbraw/zinc/35/89/06/399358906.db2.gz ZDPRWMBBTAPQCC-HNNXBMFYSA-N 2 2 316.361 2.637 20 5 DFBDLP CC[N@H+]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000615837145 399388239 /nfs/dbraw/zinc/38/82/39/399388239.db2.gz OJWOFVRVUFMSIG-AXCCRNSUSA-N 2 2 303.406 2.928 20 5 DFBDLP CC[N@@H+]1C[C@H]([NH2+]C/C(C)=C\c2cccc([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000615837145 399388241 /nfs/dbraw/zinc/38/82/41/399388241.db2.gz OJWOFVRVUFMSIG-AXCCRNSUSA-N 2 2 303.406 2.928 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000109793633 194285086 /nfs/dbraw/zinc/28/50/86/194285086.db2.gz MLGNHNSHZSLXJS-UHFFFAOYSA-N 2 2 316.361 2.507 20 5 DFBDLP CC[C@@H]([NH2+]Cc1ccc(OC)c([N+](=O)[O-])c1)[C@H]1CCCC[NH2+]1 ZINC000422948260 296359651 /nfs/dbraw/zinc/35/96/51/296359651.db2.gz ROIHLFRVMGSWQI-ZIAGYGMSSA-N 2 2 307.394 2.614 20 5 DFBDLP CCc1ccc([C@@H]([NH2+]CCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423181080 296388853 /nfs/dbraw/zinc/38/88/53/296388853.db2.gz FIHMWBQZYMREAC-INIZCTEOSA-N 2 2 303.362 2.778 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424289961 296499327 /nfs/dbraw/zinc/49/93/27/296499327.db2.gz CVHBIOBMOQAQQV-HUUCEWRRSA-N 2 2 307.394 2.742 20 5 DFBDLP Cc1c(C[N@H+](CC[NH3+])CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000261689189 146259238 /nfs/dbraw/zinc/25/92/38/146259238.db2.gz DXXBVTYEJOVNLH-UHFFFAOYSA-N 2 2 313.401 2.907 20 5 DFBDLP Cc1c(C[N@@H+](CC[NH3+])CCc2ccccc2)cccc1[N+](=O)[O-] ZINC000261689189 146259243 /nfs/dbraw/zinc/25/92/43/146259243.db2.gz DXXBVTYEJOVNLH-UHFFFAOYSA-N 2 2 313.401 2.907 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524425 150372807 /nfs/dbraw/zinc/37/28/07/150372807.db2.gz WCJBGGMXYSJTSW-CYBMUJFWSA-N 2 2 318.352 2.847 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000374524425 150372808 /nfs/dbraw/zinc/37/28/08/150372808.db2.gz WCJBGGMXYSJTSW-CYBMUJFWSA-N 2 2 318.352 2.847 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012280 158157384 /nfs/dbraw/zinc/15/73/84/158157384.db2.gz LJQCJGAHHNUTMV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012280 158157386 /nfs/dbraw/zinc/15/73/86/158157386.db2.gz LJQCJGAHHNUTMV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012280 158157388 /nfs/dbraw/zinc/15/73/88/158157388.db2.gz LJQCJGAHHNUTMV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3[N+](=O)[O-])CC[C@H]21 ZINC000248012280 158157390 /nfs/dbraw/zinc/15/73/90/158157390.db2.gz LJQCJGAHHNUTMV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834350 426086376 /nfs/dbraw/zinc/08/63/76/426086376.db2.gz TXWJYWMOZSNYCZ-INIZCTEOSA-N 2 2 303.406 2.903 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834350 426086379 /nfs/dbraw/zinc/08/63/79/426086379.db2.gz TXWJYWMOZSNYCZ-INIZCTEOSA-N 2 2 303.406 2.903 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000330671060 427286197 /nfs/dbraw/zinc/28/61/97/427286197.db2.gz MJYOJMIOWKQFMH-TZMCWYRMSA-N 2 2 307.394 2.566 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000330671060 427286202 /nfs/dbraw/zinc/28/62/02/427286202.db2.gz MJYOJMIOWKQFMH-TZMCWYRMSA-N 2 2 307.394 2.566 20 5 DFBDLP CC1(C)C[C@@H]([NH2+]CCn2cc[nH+]c2)c2cc([N+](=O)[O-])ccc21 ZINC000279081447 427552027 /nfs/dbraw/zinc/55/20/27/427552027.db2.gz MOZRXGLJAQAAMJ-OAHLLOKOSA-N 2 2 300.362 2.804 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000349980127 427915732 /nfs/dbraw/zinc/91/57/32/427915732.db2.gz YMIVDXOVZXNWPA-KRWDZBQOSA-N 2 2 313.357 2.952 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H](Oc2cc[nH+]cc2)C1 ZINC000349980127 427915740 /nfs/dbraw/zinc/91/57/40/427915740.db2.gz YMIVDXOVZXNWPA-KRWDZBQOSA-N 2 2 313.357 2.952 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535057 428139367 /nfs/dbraw/zinc/13/93/67/428139367.db2.gz LWYWHGRFMJJCIN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535057 428139370 /nfs/dbraw/zinc/13/93/70/428139370.db2.gz LWYWHGRFMJJCIN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535057 428139374 /nfs/dbraw/zinc/13/93/74/428139374.db2.gz LWYWHGRFMJJCIN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@H]1C ZINC000352535057 428139381 /nfs/dbraw/zinc/13/93/81/428139381.db2.gz LWYWHGRFMJJCIN-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP Cc1ccc(C[NH2+]Cc2c[nH+]c3n2CCCC3)cc1[N+](=O)[O-] ZINC000370261116 428169697 /nfs/dbraw/zinc/16/96/97/428169697.db2.gz LHLFHEKKSZAEMK-UHFFFAOYSA-N 2 2 300.362 2.726 20 5 DFBDLP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059791 428506254 /nfs/dbraw/zinc/50/62/54/428506254.db2.gz XMYVDTVCDZRANZ-GJZGRUSLSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1[N+](=O)[O-] ZINC000415059791 428506257 /nfs/dbraw/zinc/50/62/57/428506257.db2.gz XMYVDTVCDZRANZ-GJZGRUSLSA-N 2 2 319.405 2.567 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@@H+](C2CC2)C1 ZINC000344828999 428710000 /nfs/dbraw/zinc/71/00/00/428710000.db2.gz QMDAKDGMEPCDKO-GLNPCMGASA-N 2 2 301.390 2.824 20 5 DFBDLP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CC[N@H+](C2CC2)C1 ZINC000344828999 428710004 /nfs/dbraw/zinc/71/00/04/428710004.db2.gz QMDAKDGMEPCDKO-GLNPCMGASA-N 2 2 301.390 2.824 20 5 DFBDLP CC[NH+](CC)CCCNc1[nH+]ccc2ccc([N+](=O)[O-])cc21 ZINC000413022513 429123476 /nfs/dbraw/zinc/12/34/76/429123476.db2.gz DPUZVMULLAIXTF-UHFFFAOYSA-N 2 2 302.378 3.287 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232018 429664790 /nfs/dbraw/zinc/66/47/90/429664790.db2.gz DZIAVVDSYLAZMY-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430232018 429664795 /nfs/dbraw/zinc/66/47/95/429664795.db2.gz DZIAVVDSYLAZMY-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363414797 289092074 /nfs/dbraw/zinc/09/20/74/289092074.db2.gz RPEPYALUFCZZRG-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363414797 289092075 /nfs/dbraw/zinc/09/20/75/289092075.db2.gz RPEPYALUFCZZRG-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363414797 289092076 /nfs/dbraw/zinc/09/20/76/289092076.db2.gz RPEPYALUFCZZRG-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000363414797 289092077 /nfs/dbraw/zinc/09/20/77/289092077.db2.gz RPEPYALUFCZZRG-OIISXLGYSA-N 2 2 301.390 2.511 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000449178779 297418355 /nfs/dbraw/zinc/41/83/55/297418355.db2.gz UPKKEVYGBLLJBX-CJNGLKHVSA-N 2 2 323.462 2.553 20 5 DFBDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249155 301251433 /nfs/dbraw/zinc/25/14/33/301251433.db2.gz XXCYPBJNMMLSQQ-OAHLLOKOSA-N 2 2 303.406 2.827 20 5 DFBDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249155 301251435 /nfs/dbraw/zinc/25/14/35/301251435.db2.gz XXCYPBJNMMLSQQ-OAHLLOKOSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249155 301251438 /nfs/dbraw/zinc/25/14/38/301251438.db2.gz XXCYPBJNMMLSQQ-OAHLLOKOSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000535249155 301251440 /nfs/dbraw/zinc/25/14/40/301251440.db2.gz XXCYPBJNMMLSQQ-OAHLLOKOSA-N 2 2 303.406 2.827 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000548635150 301601970 /nfs/dbraw/zinc/60/19/70/301601970.db2.gz RZTJXBJKFTVXEW-CHWSQXEVSA-N 2 2 300.362 2.765 20 5 DFBDLP CC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156551296 521658779 /nfs/dbraw/zinc/65/87/79/521658779.db2.gz QDCBSQKLQKVJET-IRXDYDNUSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@H+]1CCC[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000156551296 521658782 /nfs/dbraw/zinc/65/87/82/521658782.db2.gz QDCBSQKLQKVJET-IRXDYDNUSA-N 2 2 317.433 2.990 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873530 527756204 /nfs/dbraw/zinc/75/62/04/527756204.db2.gz SJDALFMOOGBSNN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873530 527756209 /nfs/dbraw/zinc/75/62/09/527756209.db2.gz SJDALFMOOGBSNN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873530 527756215 /nfs/dbraw/zinc/75/62/15/527756215.db2.gz SJDALFMOOGBSNN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)C[C@@H]1C ZINC000330873530 527756227 /nfs/dbraw/zinc/75/62/27/527756227.db2.gz SJDALFMOOGBSNN-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633772 398364487 /nfs/dbraw/zinc/36/44/87/398364487.db2.gz NIUALPFQVPCEGR-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633772 398364491 /nfs/dbraw/zinc/36/44/91/398364491.db2.gz NIUALPFQVPCEGR-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633772 398364494 /nfs/dbraw/zinc/36/44/94/398364494.db2.gz NIUALPFQVPCEGR-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000081633772 398364497 /nfs/dbraw/zinc/36/44/97/398364497.db2.gz NIUALPFQVPCEGR-INIZCTEOSA-N 2 2 303.406 2.759 20 5 DFBDLP Cc1cccc2[nH+]c(CC[NH2+]Cc3csc([N+](=O)[O-])c3)cn21 ZINC000592379486 398418917 /nfs/dbraw/zinc/41/89/17/398418917.db2.gz PBWVYQOWZMEEBZ-UHFFFAOYSA-N 2 2 316.386 2.945 20 5 DFBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033093 530065275 /nfs/dbraw/zinc/06/52/75/530065275.db2.gz RQZSVIJJRRSJSH-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033093 530065276 /nfs/dbraw/zinc/06/52/76/530065276.db2.gz RQZSVIJJRRSJSH-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033093 530065277 /nfs/dbraw/zinc/06/52/77/530065277.db2.gz RQZSVIJJRRSJSH-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)C2)C1 ZINC000293033093 530065278 /nfs/dbraw/zinc/06/52/78/530065278.db2.gz RQZSVIJJRRSJSH-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP Cn1c[nH+]c(CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000414127098 295770277 /nfs/dbraw/zinc/77/02/77/295770277.db2.gz PJFFUGRLDBWYNS-INIZCTEOSA-N 2 2 300.362 2.538 20 5 DFBDLP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)CC1C[NH+](C)C1 ZINC000597202775 398589063 /nfs/dbraw/zinc/58/90/63/398589063.db2.gz JDPGAELCVYKTDH-UHFFFAOYSA-N 2 2 315.373 2.848 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000591282683 398745399 /nfs/dbraw/zinc/74/53/99/398745399.db2.gz OWRQQSHCCRTADR-AWEZNQCLSA-N 2 2 319.405 2.758 20 5 DFBDLP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902514 213163284 /nfs/dbraw/zinc/16/32/84/213163284.db2.gz MAGTUFKWVAETPQ-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902514 213163286 /nfs/dbraw/zinc/16/32/86/213163286.db2.gz MAGTUFKWVAETPQ-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902514 213163290 /nfs/dbraw/zinc/16/32/90/213163290.db2.gz MAGTUFKWVAETPQ-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1[N+](=O)[O-] ZINC000276902514 213163292 /nfs/dbraw/zinc/16/32/92/213163292.db2.gz MAGTUFKWVAETPQ-DZGCQCFKSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000598964409 398898560 /nfs/dbraw/zinc/89/85/60/398898560.db2.gz VAZULYVKOGRWMG-CYBMUJFWSA-N 2 2 307.394 2.566 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000598964409 398898562 /nfs/dbraw/zinc/89/85/62/398898562.db2.gz VAZULYVKOGRWMG-CYBMUJFWSA-N 2 2 307.394 2.566 20 5 DFBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096836 398904421 /nfs/dbraw/zinc/90/44/21/398904421.db2.gz MUWCASYUZAMJNT-ZBFHGGJFSA-N 2 2 305.422 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000595096836 398904427 /nfs/dbraw/zinc/90/44/27/398904427.db2.gz MUWCASYUZAMJNT-ZBFHGGJFSA-N 2 2 305.422 2.990 20 5 DFBDLP C[NH+](C)C[C@H]1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599042862 398911674 /nfs/dbraw/zinc/91/16/74/398911674.db2.gz GHBPMYDNHGSCJP-GFCCVEGCSA-N 2 2 300.362 2.531 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188413315 200242131 /nfs/dbraw/zinc/24/21/31/200242131.db2.gz SQHRINRLFCHJNB-GIZXNFQBSA-N 2 2 312.373 2.969 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000188413315 200242132 /nfs/dbraw/zinc/24/21/32/200242132.db2.gz SQHRINRLFCHJNB-GIZXNFQBSA-N 2 2 312.373 2.969 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342504 398924300 /nfs/dbraw/zinc/92/43/00/398924300.db2.gz LOIWTBXAPXVDSX-OAHLLOKOSA-N 2 2 318.352 2.903 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342504 398924301 /nfs/dbraw/zinc/92/43/01/398924301.db2.gz LOIWTBXAPXVDSX-OAHLLOKOSA-N 2 2 318.352 2.903 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507450 398952946 /nfs/dbraw/zinc/95/29/46/398952946.db2.gz NLOTUKKYPIEUBT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507450 398952948 /nfs/dbraw/zinc/95/29/48/398952948.db2.gz NLOTUKKYPIEUBT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507450 398952951 /nfs/dbraw/zinc/95/29/51/398952951.db2.gz NLOTUKKYPIEUBT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1[N+](=O)[O-] ZINC000595507450 398952952 /nfs/dbraw/zinc/95/29/52/398952952.db2.gz NLOTUKKYPIEUBT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600725302 399125714 /nfs/dbraw/zinc/12/57/14/399125714.db2.gz ISSMOKNGXCRGQV-NEPJUHHUSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@@H]1C(F)(F)F ZINC000600725302 399125720 /nfs/dbraw/zinc/12/57/20/399125720.db2.gz ISSMOKNGXCRGQV-NEPJUHHUSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600723603 399125773 /nfs/dbraw/zinc/12/57/73/399125773.db2.gz CKWBRILZTBTHFE-YPMHNXCESA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@@H]1C(F)(F)F ZINC000600723603 399125775 /nfs/dbraw/zinc/12/57/75/399125775.db2.gz CKWBRILZTBTHFE-YPMHNXCESA-N 2 2 317.311 2.554 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420400530 296186557 /nfs/dbraw/zinc/18/65/57/296186557.db2.gz IPCCJGFIMRNHAL-ZFWWWQNUSA-N 2 2 321.421 2.799 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420400530 296186558 /nfs/dbraw/zinc/18/65/58/296186558.db2.gz IPCCJGFIMRNHAL-ZFWWWQNUSA-N 2 2 321.421 2.799 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCCC4)C3)c2c1 ZINC000601111484 399230390 /nfs/dbraw/zinc/23/03/90/399230390.db2.gz TXBUWOSIRNDBTE-CQSZACIVSA-N 2 2 312.373 2.818 20 5 DFBDLP C[C@@H]1CN(c2cc[nH+]c3ccc([N+](=O)[O-])cc32)[C@@H](C)C[N@@H+]1C ZINC000601136702 399238311 /nfs/dbraw/zinc/23/83/11/399238311.db2.gz JVHWKZMWGBQEMM-NEPJUHHUSA-N 2 2 300.362 2.672 20 5 DFBDLP Cc1c(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000609157294 399307341 /nfs/dbraw/zinc/30/73/41/399307341.db2.gz BJIMWVQNTUKKJU-OAHLLOKOSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1c(C[N@H+]2CCC[C@@H](n3cc[nH+]c3)C2)cccc1[N+](=O)[O-] ZINC000609157294 399307343 /nfs/dbraw/zinc/30/73/43/399307343.db2.gz BJIMWVQNTUKKJU-OAHLLOKOSA-N 2 2 300.362 2.937 20 5 DFBDLP CC(C)[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602505277 399462491 /nfs/dbraw/zinc/46/24/91/399462491.db2.gz ZBWUJSOOFFEEAT-UHFFFAOYSA-N 2 2 318.377 2.698 20 5 DFBDLP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935854 296357491 /nfs/dbraw/zinc/35/74/91/296357491.db2.gz ASPRUZVHJVYPOH-CABCVRRESA-N 2 2 313.357 2.838 20 5 DFBDLP Cc1cccc2[nH+]c(CC[NH2+]CCc3ccc([N+](=O)[O-])cc3)cn21 ZINC000602698205 399526699 /nfs/dbraw/zinc/52/66/99/399526699.db2.gz DVOIRPFBYZFYPO-UHFFFAOYSA-N 2 2 324.384 2.926 20 5 DFBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423082735 296376295 /nfs/dbraw/zinc/37/62/95/296376295.db2.gz FVSGLVKZEJSEON-RNCFNFMXSA-N 2 2 317.311 2.844 20 5 DFBDLP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[NH2+]C1 ZINC000423190389 296390422 /nfs/dbraw/zinc/39/04/22/296390422.db2.gz NVYJAZURGGEKDZ-CHWSQXEVSA-N 2 2 309.435 2.807 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000612578177 399680146 /nfs/dbraw/zinc/68/01/46/399680146.db2.gz ASKZBEPDHFXERE-MRXNPFEDSA-N 2 2 300.362 2.937 20 5 DFBDLP CC[N@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575219 146233898 /nfs/dbraw/zinc/23/38/98/146233898.db2.gz OTSYCICUKFOTAZ-LYASGUKUSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[N@@H+](C)C[C@@H]1CC[NH+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575219 146233901 /nfs/dbraw/zinc/23/39/01/146233901.db2.gz OTSYCICUKFOTAZ-LYASGUKUSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@@H]1CC[N@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575219 146233904 /nfs/dbraw/zinc/23/39/04/146233904.db2.gz OTSYCICUKFOTAZ-LYASGUKUSA-N 2 2 303.406 2.882 20 5 DFBDLP CC[NH+](C)C[C@@H]1CC[N@@H+](C/C=C\c2ccccc2[N+](=O)[O-])C1 ZINC000255575219 146233906 /nfs/dbraw/zinc/23/39/06/146233906.db2.gz OTSYCICUKFOTAZ-LYASGUKUSA-N 2 2 303.406 2.882 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247672788 158147776 /nfs/dbraw/zinc/14/77/76/158147776.db2.gz RANWCFNHQSRJHY-CZUORRHYSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000247672788 158147779 /nfs/dbraw/zinc/14/77/79/158147779.db2.gz RANWCFNHQSRJHY-CZUORRHYSA-N 2 2 300.362 2.874 20 5 DFBDLP C[N@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000050444813 425881805 /nfs/dbraw/zinc/88/18/05/425881805.db2.gz IRTFLYIQYZABOD-PBWFPOADSA-N 2 2 309.797 2.963 20 5 DFBDLP C[N@@H+](Cc1ccc(Cl)cc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000050444813 425881806 /nfs/dbraw/zinc/88/18/06/425881806.db2.gz IRTFLYIQYZABOD-PBWFPOADSA-N 2 2 309.797 2.963 20 5 DFBDLP COc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000075861381 426087107 /nfs/dbraw/zinc/08/71/07/426087107.db2.gz MIDDQRLCBAMCRR-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000075861381 426087111 /nfs/dbraw/zinc/08/71/11/426087111.db2.gz MIDDQRLCBAMCRR-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000075861381 426087114 /nfs/dbraw/zinc/08/71/14/426087114.db2.gz MIDDQRLCBAMCRR-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000075861381 426087117 /nfs/dbraw/zinc/08/71/17/426087117.db2.gz MIDDQRLCBAMCRR-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@H+](C)C1CC1 ZINC000130746421 426162371 /nfs/dbraw/zinc/16/23/71/426162371.db2.gz WCVVEFKLAVLKMF-GUYCJALGSA-N 2 2 317.433 2.988 20 5 DFBDLP C[C@@H](C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1)[N@@H+](C)C1CC1 ZINC000130746421 426162372 /nfs/dbraw/zinc/16/23/72/426162372.db2.gz WCVVEFKLAVLKMF-GUYCJALGSA-N 2 2 317.433 2.988 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000084439836 426237477 /nfs/dbraw/zinc/23/74/77/426237477.db2.gz DDZCTYKBQDCHKC-NSHDSACASA-N 2 2 309.797 2.822 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)cc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000084439836 426237480 /nfs/dbraw/zinc/23/74/80/426237480.db2.gz DDZCTYKBQDCHKC-NSHDSACASA-N 2 2 309.797 2.822 20 5 DFBDLP CC[C@H]([NH2+]C[C@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272461 426378253 /nfs/dbraw/zinc/37/82/53/426378253.db2.gz VVUGLXQFVLRSNQ-YOEHRIQHSA-N 2 2 321.421 2.604 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000178323693 426605622 /nfs/dbraw/zinc/60/56/22/426605622.db2.gz NWTLGYMXKWLEAF-CYBMUJFWSA-N 2 2 306.391 2.826 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000178323693 426605632 /nfs/dbraw/zinc/60/56/32/426605632.db2.gz NWTLGYMXKWLEAF-CYBMUJFWSA-N 2 2 306.391 2.826 20 5 DFBDLP C[C@@H]([NH2+]CCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc([N+](=O)[O-])c1 ZINC000249332052 427107054 /nfs/dbraw/zinc/10/70/54/427107054.db2.gz PHUUQMQOKAJQNQ-RBSFLKMASA-N 2 2 321.421 2.745 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000285374890 427215410 /nfs/dbraw/zinc/21/54/10/427215410.db2.gz CGNBREAOHJIIFV-JTQLQIEISA-N 2 2 322.315 2.976 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000285374890 427215414 /nfs/dbraw/zinc/21/54/14/427215414.db2.gz CGNBREAOHJIIFV-JTQLQIEISA-N 2 2 322.315 2.976 20 5 DFBDLP C[C@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153863 427418866 /nfs/dbraw/zinc/41/88/66/427418866.db2.gz AMXVHRGEWGBIFB-WBMJQRKESA-N 2 2 300.362 2.847 20 5 DFBDLP C[NH+]1CCC([NH2+]Cc2cc([N+](=O)[O-])cc(C(F)(F)F)c2)CC1 ZINC000279565202 427704246 /nfs/dbraw/zinc/70/42/46/427704246.db2.gz SHNUFAUECMDKLS-UHFFFAOYSA-N 2 2 317.311 2.797 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535421 428140009 /nfs/dbraw/zinc/14/00/09/428140009.db2.gz QJHQSBMDEYPSRG-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535421 428140013 /nfs/dbraw/zinc/14/00/13/428140013.db2.gz QJHQSBMDEYPSRG-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535421 428140017 /nfs/dbraw/zinc/14/00/17/428140017.db2.gz QJHQSBMDEYPSRG-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535421 428140023 /nfs/dbraw/zinc/14/00/23/428140023.db2.gz QJHQSBMDEYPSRG-CABCVRRESA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000352556406 428148927 /nfs/dbraw/zinc/14/89/27/428148927.db2.gz ZLMZGCSKWHCELY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)ccc1[N+](=O)[O-] ZINC000352556406 428148930 /nfs/dbraw/zinc/14/89/30/428148930.db2.gz ZLMZGCSKWHCELY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)ccc1[N+](=O)[O-] ZINC000352556406 428148932 /nfs/dbraw/zinc/14/89/32/428148932.db2.gz ZLMZGCSKWHCELY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)ccc1[N+](=O)[O-] ZINC000352556406 428148935 /nfs/dbraw/zinc/14/89/35/428148935.db2.gz ZLMZGCSKWHCELY-OAHLLOKOSA-N 2 2 321.421 2.910 20 5 DFBDLP C[N@@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860051 428248858 /nfs/dbraw/zinc/24/88/58/428248858.db2.gz KLDJKJHDBZZTIP-NSHDSACASA-N 2 2 306.391 2.547 20 5 DFBDLP C[N@H+](Cc1csc([N+](=O)[O-])c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377860051 428248863 /nfs/dbraw/zinc/24/88/63/428248863.db2.gz KLDJKJHDBZZTIP-NSHDSACASA-N 2 2 306.391 2.547 20 5 DFBDLP Cc1c(C[NH+]2CCC3(CCC[N@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000378434892 428395909 /nfs/dbraw/zinc/39/59/09/428395909.db2.gz VTCZSXLIHKAUES-UHFFFAOYSA-N 2 2 303.406 2.963 20 5 DFBDLP Cc1c(C[NH+]2CCC3(CCC[N@@H+]3C)CC2)cccc1[N+](=O)[O-] ZINC000378434892 428395914 /nfs/dbraw/zinc/39/59/14/428395914.db2.gz VTCZSXLIHKAUES-UHFFFAOYSA-N 2 2 303.406 2.963 20 5 DFBDLP [NH3+]C1(C[NH2+]Cc2csc(-c3cccc([N+](=O)[O-])c3)n2)CCC1 ZINC000414878648 428441301 /nfs/dbraw/zinc/44/13/01/428441301.db2.gz ONWGVAJPJYHJEX-UHFFFAOYSA-N 2 2 318.402 2.689 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@@H]3CCC[NH2+]C3)o2)cc1 ZINC000414873273 428442341 /nfs/dbraw/zinc/44/23/41/428442341.db2.gz XMWCHNNSJQOUHY-CYBMUJFWSA-N 2 2 301.346 2.696 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363661498 428962935 /nfs/dbraw/zinc/96/29/35/428962935.db2.gz RQAJLDAWTYIXLZ-UKPHBRMFSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363661498 428962939 /nfs/dbraw/zinc/96/29/39/428962939.db2.gz RQAJLDAWTYIXLZ-UKPHBRMFSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363661498 428962942 /nfs/dbraw/zinc/96/29/42/428962942.db2.gz RQAJLDAWTYIXLZ-UKPHBRMFSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363661498 428962948 /nfs/dbraw/zinc/96/29/48/428962948.db2.gz RQAJLDAWTYIXLZ-UKPHBRMFSA-N 2 2 319.380 2.650 20 5 DFBDLP C[NH+](C)CC1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413067882 429130933 /nfs/dbraw/zinc/13/09/33/429130933.db2.gz XEYAQXWYGCDDSR-UHFFFAOYSA-N 2 2 314.389 2.921 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000449079291 429326181 /nfs/dbraw/zinc/32/61/81/429326181.db2.gz OHMWVDAMISZCBM-LSDHHAIUSA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000449079291 429326185 /nfs/dbraw/zinc/32/61/85/429326185.db2.gz OHMWVDAMISZCBM-LSDHHAIUSA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@]1([NH+](C)C)CCSC1 ZINC000449178781 429350628 /nfs/dbraw/zinc/35/06/28/429350628.db2.gz UPKKEVYGBLLJBX-CZUORRHYSA-N 2 2 323.462 2.553 20 5 DFBDLP CC(C)[N@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194635 429354376 /nfs/dbraw/zinc/35/43/76/429354376.db2.gz VAURTIBPDHEAAS-IIAWOOMASA-N 2 2 305.422 2.844 20 5 DFBDLP CC(C)[N@@H+]1C[C@@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194635 429354381 /nfs/dbraw/zinc/35/43/81/429354381.db2.gz VAURTIBPDHEAAS-IIAWOOMASA-N 2 2 305.422 2.844 20 5 DFBDLP CC1=CC[N@H+](CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449241527 429364651 /nfs/dbraw/zinc/36/46/51/429364651.db2.gz BOHLRGOBABSXRA-OAHLLOKOSA-N 2 2 303.406 2.767 20 5 DFBDLP CC1=CC[N@@H+](CC[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449241527 429364655 /nfs/dbraw/zinc/36/46/55/429364655.db2.gz BOHLRGOBABSXRA-OAHLLOKOSA-N 2 2 303.406 2.767 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000429535645 429615089 /nfs/dbraw/zinc/61/50/89/429615089.db2.gz CKQNOCCISMJSQB-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)ccc1[N+](=O)[O-] ZINC000429535645 429615095 /nfs/dbraw/zinc/61/50/95/429615095.db2.gz CKQNOCCISMJSQB-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP Cc1ccc(CCC[NH2+]CCOc2ccc([N+](=O)[O-])cc2)c[nH+]1 ZINC000525985642 429690668 /nfs/dbraw/zinc/69/06/68/429690668.db2.gz QTWVORMQBMHMLM-UHFFFAOYSA-N 2 2 315.373 2.899 20 5 DFBDLP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430579298 429695492 /nfs/dbraw/zinc/69/54/92/429695492.db2.gz CCFBIQWRMXMKLT-GFCCVEGCSA-N 2 2 306.366 2.541 20 5 DFBDLP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000430579298 429695496 /nfs/dbraw/zinc/69/54/96/429695496.db2.gz CCFBIQWRMXMKLT-GFCCVEGCSA-N 2 2 306.366 2.541 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]C[C@H]1CCCn2cc[nH+]c21 ZINC000368219575 429810104 /nfs/dbraw/zinc/81/01/04/429810104.db2.gz KQWCGPVEUFTNTR-CQSZACIVSA-N 2 2 300.362 2.767 20 5 DFBDLP CC[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCOCC1)c1cccc([N+](=O)[O-])c1 ZINC000153272347 280188646 /nfs/dbraw/zinc/18/86/46/280188646.db2.gz VVUGLXQFVLRSNQ-RHSMWYFYSA-N 2 2 321.421 2.604 20 5 DFBDLP Cc1[nH+]cc(C[NH2+]CCCCc2ccc([N+](=O)[O-])cc2)n1C ZINC000516787411 300361306 /nfs/dbraw/zinc/36/13/06/300361306.db2.gz VNXBBSURLCHXMA-UHFFFAOYSA-N 2 2 302.378 2.749 20 5 DFBDLP C[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305204 302060784 /nfs/dbraw/zinc/06/07/84/302060784.db2.gz OKQVXONCOBRCGN-LBPRGKRZSA-N 2 2 300.362 2.897 20 5 DFBDLP C[N@H+]1CCC[C@@H](CNc2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000563305204 302060786 /nfs/dbraw/zinc/06/07/86/302060786.db2.gz OKQVXONCOBRCGN-LBPRGKRZSA-N 2 2 300.362 2.897 20 5 DFBDLP O=[N+]([O-])c1cc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000156315803 527330126 /nfs/dbraw/zinc/33/01/26/527330126.db2.gz MEZNJVACBYUTQI-CYBMUJFWSA-N 2 2 305.359 2.705 20 5 DFBDLP O=[N+]([O-])c1cc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cs1 ZINC000156315803 527330133 /nfs/dbraw/zinc/33/01/33/527330133.db2.gz MEZNJVACBYUTQI-CYBMUJFWSA-N 2 2 305.359 2.705 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH2+]C2CCN(c3cccc[nH+]3)CC2)c1 ZINC000078969016 185137478 /nfs/dbraw/zinc/13/74/78/185137478.db2.gz FNAKUSDRAUMHBT-UHFFFAOYSA-N 2 2 312.373 2.748 20 5 DFBDLP CC1(C)C[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2cc([N+](=O)[O-])ccc21 ZINC000596655682 398472714 /nfs/dbraw/zinc/47/27/14/398472714.db2.gz WVMAMQGEUPWDAT-GMQFJONSSA-N 2 2 301.390 2.659 20 5 DFBDLP C[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414934886 295837151 /nfs/dbraw/zinc/83/71/51/295837151.db2.gz AODVRKCMYPMTLM-NSHDSACASA-N 2 2 319.336 2.963 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@H]2[NH2+]C[C@@H]1CCCn2cc[nH+]c21 ZINC000594496626 398810192 /nfs/dbraw/zinc/81/01/92/398810192.db2.gz PTAOHCUYMKSYKK-SWLSCSKDSA-N 2 2 312.373 2.946 20 5 DFBDLP CC[C@H]([NH2+]Cc1c[nH+]c2n1CCC2)c1cccc([N+](=O)[O-])c1 ZINC000594935911 398876476 /nfs/dbraw/zinc/87/64/76/398876476.db2.gz IDFWGOIHYFRNKA-HNNXBMFYSA-N 2 2 300.362 2.978 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000595005112 398890194 /nfs/dbraw/zinc/89/01/94/398890194.db2.gz XVNYTVCFQIQUNU-ZDUSSCGKSA-N 2 2 307.394 2.740 20 5 DFBDLP C[NH+](C)CC1CCN(c2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599025479 398909980 /nfs/dbraw/zinc/90/99/80/398909980.db2.gz OYKJRGBZOJWNFX-UHFFFAOYSA-N 2 2 314.389 2.921 20 5 DFBDLP C[NH+](C)[C@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599037798 398911068 /nfs/dbraw/zinc/91/10/68/398911068.db2.gz DSHBGHFPDFITRL-OAHLLOKOSA-N 2 2 300.362 2.895 20 5 DFBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599087532 398919632 /nfs/dbraw/zinc/91/96/32/398919632.db2.gz JEWMKUNOZHOSRI-XIRDDKMYSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599087532 398919636 /nfs/dbraw/zinc/91/96/36/398919636.db2.gz JEWMKUNOZHOSRI-XIRDDKMYSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344410 398924739 /nfs/dbraw/zinc/92/47/39/398924739.db2.gz DQKTWLCGVAOKOV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344410 398924745 /nfs/dbraw/zinc/92/47/45/398924745.db2.gz DQKTWLCGVAOKOV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344410 398924748 /nfs/dbraw/zinc/92/47/48/398924748.db2.gz DQKTWLCGVAOKOV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344410 398924752 /nfs/dbraw/zinc/92/47/52/398924752.db2.gz DQKTWLCGVAOKOV-IUODEOHRSA-N 2 2 307.369 2.650 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCOCC1 ZINC000153226801 398935231 /nfs/dbraw/zinc/93/52/31/398935231.db2.gz HOMAYXAFTPGLGW-UKRRQHHQSA-N 2 2 321.421 2.522 20 5 DFBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505818 398953439 /nfs/dbraw/zinc/95/34/39/398953439.db2.gz VRHNZTTXZZBBIA-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505818 398953443 /nfs/dbraw/zinc/95/34/43/398953443.db2.gz VRHNZTTXZZBBIA-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505818 398953445 /nfs/dbraw/zinc/95/34/45/398953445.db2.gz VRHNZTTXZZBBIA-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])C2)C1 ZINC000595505818 398953449 /nfs/dbraw/zinc/95/34/49/398953449.db2.gz VRHNZTTXZZBBIA-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1[N+](=O)[O-] ZINC000600708260 399120299 /nfs/dbraw/zinc/12/02/99/399120299.db2.gz DUZLIRXBLCFAFD-SGMGOOAPSA-N 2 2 307.394 2.785 20 5 DFBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000600715503 399121719 /nfs/dbraw/zinc/12/17/19/399121719.db2.gz ZEKBCQQLSORVQW-RWMBFGLXSA-N 2 2 309.435 2.806 20 5 DFBDLP [NH3+]C[C@H]1C[N@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600723602 399125128 /nfs/dbraw/zinc/12/51/28/399125128.db2.gz CKWBRILZTBTHFE-WCQYABFASA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@H]1C[N@@H+](Cc2cccc([N+](=O)[O-])c2)CC[C@H]1C(F)(F)F ZINC000600723602 399125132 /nfs/dbraw/zinc/12/51/32/399125132.db2.gz CKWBRILZTBTHFE-WCQYABFASA-N 2 2 317.311 2.554 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900970 399127565 /nfs/dbraw/zinc/12/75/65/399127565.db2.gz QNIZTMLBZPAJPN-CQSZACIVSA-N 2 2 319.405 2.512 20 5 DFBDLP O=[N+]([O-])c1ccc(O)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900970 399127573 /nfs/dbraw/zinc/12/75/73/399127573.db2.gz QNIZTMLBZPAJPN-CQSZACIVSA-N 2 2 319.405 2.512 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906615 399130549 /nfs/dbraw/zinc/13/05/49/399130549.db2.gz MBUBPCZSMPXRIH-LSDHHAIUSA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595906615 399130551 /nfs/dbraw/zinc/13/05/51/399130551.db2.gz MBUBPCZSMPXRIH-LSDHHAIUSA-N 2 2 321.421 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397648 296186064 /nfs/dbraw/zinc/18/60/64/296186064.db2.gz MTEHHMBSFGCHAA-SWLSCSKDSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420397648 296186065 /nfs/dbraw/zinc/18/60/65/296186065.db2.gz MTEHHMBSFGCHAA-SWLSCSKDSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958700 399194548 /nfs/dbraw/zinc/19/45/48/399194548.db2.gz GQTWPHQDDLSNGU-CYBMUJFWSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000080958700 399194551 /nfs/dbraw/zinc/19/45/51/399194551.db2.gz GQTWPHQDDLSNGU-CYBMUJFWSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257665 399310537 /nfs/dbraw/zinc/31/05/37/399310537.db2.gz BWVHLYNGFQRBGO-HNNXBMFYSA-N 2 2 316.361 2.507 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c1 ZINC000609257665 399310541 /nfs/dbraw/zinc/31/05/41/399310541.db2.gz BWVHLYNGFQRBGO-HNNXBMFYSA-N 2 2 316.361 2.507 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619531378 399358571 /nfs/dbraw/zinc/35/85/71/399358571.db2.gz ZDPRWMBBTAPQCC-OAHLLOKOSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000619531378 399358573 /nfs/dbraw/zinc/35/85/73/399358573.db2.gz ZDPRWMBBTAPQCC-OAHLLOKOSA-N 2 2 316.361 2.637 20 5 DFBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000109786128 194284468 /nfs/dbraw/zinc/28/44/68/194284468.db2.gz MUCNAMAXUQPDDQ-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000109786128 194284470 /nfs/dbraw/zinc/28/44/70/194284470.db2.gz MUCNAMAXUQPDDQ-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611475788 399480063 /nfs/dbraw/zinc/48/00/63/399480063.db2.gz HOHQFGWVCPEOKK-SQWLQELKSA-N 2 2 305.422 2.846 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])C1 ZINC000611475788 399480065 /nfs/dbraw/zinc/48/00/65/399480065.db2.gz HOHQFGWVCPEOKK-SQWLQELKSA-N 2 2 305.422 2.846 20 5 DFBDLP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935855 296357517 /nfs/dbraw/zinc/35/75/17/296357517.db2.gz ASPRUZVHJVYPOH-GJZGRUSLSA-N 2 2 313.357 2.838 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000158641297 197290289 /nfs/dbraw/zinc/29/02/89/197290289.db2.gz ONRBCXOJFWUGSJ-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1[N+](=O)[O-] ZINC000158641297 197290292 /nfs/dbraw/zinc/29/02/92/197290292.db2.gz ONRBCXOJFWUGSJ-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641297 197290294 /nfs/dbraw/zinc/29/02/94/197290294.db2.gz ONRBCXOJFWUGSJ-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1[N+](=O)[O-] ZINC000158641297 197290296 /nfs/dbraw/zinc/29/02/96/197290296.db2.gz ONRBCXOJFWUGSJ-GJZGRUSLSA-N 2 2 319.405 2.520 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1[N+](=O)[O-] ZINC000423397081 296412292 /nfs/dbraw/zinc/41/22/92/296412292.db2.gz ULGNZPVOWKIOSG-OUCADQQQSA-N 2 2 307.394 2.785 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[NH2+][C@](C)(C[NH3+])C1CC1 ZINC000430590585 296798318 /nfs/dbraw/zinc/79/83/18/296798318.db2.gz HTJBKTMIYLXVMZ-MRXNPFEDSA-N 2 2 307.394 2.599 20 5 DFBDLP O=[N+]([O-])c1c(Cl)cc(Cl)cc1C[NH2+]CCn1cc[nH+]c1 ZINC000290973879 222042130 /nfs/dbraw/zinc/04/21/30/222042130.db2.gz XUANINJEDCUHNF-UHFFFAOYSA-N 2 2 315.160 2.888 20 5 DFBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367705 426097639 /nfs/dbraw/zinc/09/76/39/426097639.db2.gz NGOKILNRHDJJRN-GDBMZVCRSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367705 426097642 /nfs/dbraw/zinc/09/76/42/426097642.db2.gz NGOKILNRHDJJRN-GDBMZVCRSA-N 2 2 321.421 2.665 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095794 426219916 /nfs/dbraw/zinc/21/99/16/426219916.db2.gz MCFIHFFWUABDSY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095794 426219920 /nfs/dbraw/zinc/21/99/20/426219920.db2.gz MCFIHFFWUABDSY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095794 426219921 /nfs/dbraw/zinc/21/99/21/426219921.db2.gz MCFIHFFWUABDSY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095794 426219925 /nfs/dbraw/zinc/21/99/25/426219925.db2.gz MCFIHFFWUABDSY-CZUORRHYSA-N 2 2 321.421 2.766 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150849328 426264618 /nfs/dbraw/zinc/26/46/18/426264618.db2.gz BJQAUWDJPQTAPI-OAHLLOKOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150849328 426264621 /nfs/dbraw/zinc/26/46/21/426264621.db2.gz BJQAUWDJPQTAPI-OAHLLOKOSA-N 2 2 303.406 2.821 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688325 426505856 /nfs/dbraw/zinc/50/58/56/426505856.db2.gz VPGBINCBNHFROG-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688325 426505859 /nfs/dbraw/zinc/50/58/59/426505859.db2.gz VPGBINCBNHFROG-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688325 426505861 /nfs/dbraw/zinc/50/58/61/426505861.db2.gz VPGBINCBNHFROG-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177688325 426505864 /nfs/dbraw/zinc/50/58/64/426505864.db2.gz VPGBINCBNHFROG-UKRRQHHQSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293609 426989980 /nfs/dbraw/zinc/98/99/80/426989980.db2.gz YBBVGFAIVUEIDU-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293609 426989985 /nfs/dbraw/zinc/98/99/85/426989985.db2.gz YBBVGFAIVUEIDU-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293609 426989991 /nfs/dbraw/zinc/98/99/91/426989991.db2.gz YBBVGFAIVUEIDU-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293609 426989996 /nfs/dbraw/zinc/98/99/96/426989996.db2.gz YBBVGFAIVUEIDU-IUODEOHRSA-N 2 2 309.385 2.896 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H](C)Cn2cc[nH+]c2)cc1[N+](=O)[O-] ZINC000271072776 427394557 /nfs/dbraw/zinc/39/45/57/427394557.db2.gz FSNJQGYFRPSAAI-OLZOCXBDSA-N 2 2 318.377 2.929 20 5 DFBDLP C[C@@H](Cn1cc[nH+]c1)[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000278153854 427417663 /nfs/dbraw/zinc/41/76/63/427417663.db2.gz AMXVHRGEWGBIFB-LRDDRELGSA-N 2 2 300.362 2.847 20 5 DFBDLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765947 428398707 /nfs/dbraw/zinc/39/87/07/428398707.db2.gz GSABIACGGYCOMN-SMDDNHRTSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765947 428398711 /nfs/dbraw/zinc/39/87/11/428398711.db2.gz GSABIACGGYCOMN-SMDDNHRTSA-N 2 2 301.346 2.776 20 5 DFBDLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414889193 428446349 /nfs/dbraw/zinc/44/63/49/428446349.db2.gz GAIGGDQRFVFXJE-OAHLLOKOSA-N 2 2 301.346 2.682 20 5 DFBDLP [NH3+][C@H](C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414886172 428447678 /nfs/dbraw/zinc/44/76/78/428447678.db2.gz CKCMIVYRINEFJU-CQSZACIVSA-N 2 2 301.346 2.682 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925424 428459270 /nfs/dbraw/zinc/45/92/70/428459270.db2.gz JPHAQEAIOUWESG-DOMZBBRYSA-N 2 2 315.373 2.942 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414928663 428459794 /nfs/dbraw/zinc/45/97/94/428459794.db2.gz NDLCKENXFDQNLG-WBMJQRKESA-N 2 2 315.373 2.942 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375757896 428962825 /nfs/dbraw/zinc/96/28/25/428962825.db2.gz MXZSWNPEDMRRQQ-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375757896 428962828 /nfs/dbraw/zinc/96/28/28/428962828.db2.gz MXZSWNPEDMRRQQ-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375757896 428962830 /nfs/dbraw/zinc/96/28/30/428962830.db2.gz MXZSWNPEDMRRQQ-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375757896 428962834 /nfs/dbraw/zinc/96/28/34/428962834.db2.gz MXZSWNPEDMRRQQ-MZBDJJRSSA-N 2 2 319.405 2.660 20 5 DFBDLP C[NH+](C)C[C@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413140687 429146773 /nfs/dbraw/zinc/14/67/73/429146773.db2.gz ORJHSHVWKJFTNP-GFCCVEGCSA-N 2 2 300.362 2.531 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635346 429355911 /nfs/dbraw/zinc/35/59/11/429355911.db2.gz ZQICEIXFNUQMTQ-AWEZNQCLSA-N 2 2 300.362 2.708 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000365635346 429355914 /nfs/dbraw/zinc/35/59/14/429355914.db2.gz ZQICEIXFNUQMTQ-AWEZNQCLSA-N 2 2 300.362 2.708 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638884 429357467 /nfs/dbraw/zinc/35/74/67/429357467.db2.gz OGGDFPGSWCBNMT-CQSZACIVSA-N 2 2 300.362 2.708 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000365638884 429357471 /nfs/dbraw/zinc/35/74/71/429357471.db2.gz OGGDFPGSWCBNMT-CQSZACIVSA-N 2 2 300.362 2.708 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000366758071 429508650 /nfs/dbraw/zinc/50/86/50/429508650.db2.gz NVPJLWKKFUGJQN-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000366758071 429508654 /nfs/dbraw/zinc/50/86/54/429508654.db2.gz NVPJLWKKFUGJQN-AWEZNQCLSA-N 2 2 307.394 2.520 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000430639705 429705413 /nfs/dbraw/zinc/70/54/13/429705413.db2.gz IRLUBZBUVOHADZ-UHFFFAOYSA-N 2 2 307.394 2.566 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000430639705 429705417 /nfs/dbraw/zinc/70/54/17/429705417.db2.gz IRLUBZBUVOHADZ-UHFFFAOYSA-N 2 2 307.394 2.566 20 5 DFBDLP C[C@@H]([NH2+]Cc1c[nH+]c2n1CCCC2)c1ccc([N+](=O)[O-])cc1 ZINC000368497767 429858263 /nfs/dbraw/zinc/85/82/63/429858263.db2.gz BDCNYYWXAWMSNE-GFCCVEGCSA-N 2 2 300.362 2.978 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cccc1[N+](=O)[O-] ZINC000368685879 429886507 /nfs/dbraw/zinc/88/65/07/429886507.db2.gz BZQCEGVRIXXWNQ-NWDGAFQWSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000368685879 429886508 /nfs/dbraw/zinc/88/65/08/429886508.db2.gz BZQCEGVRIXXWNQ-NWDGAFQWSA-N 2 2 300.362 2.834 20 5 DFBDLP C[C@@H](C[NH+](C)C)[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095621 301726369 /nfs/dbraw/zinc/72/63/69/301726369.db2.gz RLSCJIZVQQPVQU-SQWLQELKSA-N 2 2 305.422 2.846 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000415056562 500964296 /nfs/dbraw/zinc/96/42/96/500964296.db2.gz SHKHVCRYPJFABD-ZWKOTPCHSA-N 2 2 311.385 2.748 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@H](C)CC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000090046999 398475456 /nfs/dbraw/zinc/47/54/56/398475456.db2.gz KKZGMOUCKMSCOU-HIFRSBDPSA-N 2 2 321.421 2.665 20 5 DFBDLP C[N@@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000589201736 398537279 /nfs/dbraw/zinc/53/72/79/398537279.db2.gz FICHHGAHQXEXGB-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1ccc([N+](=O)[O-])cc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000589201736 398537281 /nfs/dbraw/zinc/53/72/81/398537281.db2.gz FICHHGAHQXEXGB-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP Cn1c[nH+]c(CC[NH2+][C@H]2CC(C)(C)c3ccc([N+](=O)[O-])cc32)c1 ZINC000414120132 295769218 /nfs/dbraw/zinc/76/92/18/295769218.db2.gz ASXSQZRPYZBRKQ-INIZCTEOSA-N 2 2 314.389 2.883 20 5 DFBDLP C[N@@H+](Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)CC1C[NH+](C)C1 ZINC000597202490 398589573 /nfs/dbraw/zinc/58/95/73/398589573.db2.gz CSOYKUDIERBSDU-UHFFFAOYSA-N 2 2 315.373 2.848 20 5 DFBDLP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1C[NH+](C)C1 ZINC000597203050 398589598 /nfs/dbraw/zinc/58/95/98/398589598.db2.gz LTEMPDWRGRLRQD-UHFFFAOYSA-N 2 2 315.373 2.848 20 5 DFBDLP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1)CC1C[NH+](C)C1 ZINC000597203050 398589602 /nfs/dbraw/zinc/58/96/02/398589602.db2.gz LTEMPDWRGRLRQD-UHFFFAOYSA-N 2 2 315.373 2.848 20 5 DFBDLP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000414701046 295817532 /nfs/dbraw/zinc/81/75/32/295817532.db2.gz KQJDJAKSKQNMDR-CQSZACIVSA-N 2 2 321.421 2.811 20 5 DFBDLP O=[N+]([O-])c1ccc(-c2ccc(C[NH2+][C@H]3CC[NH2+]C3)s2)cc1 ZINC000414881491 295829561 /nfs/dbraw/zinc/82/95/61/295829561.db2.gz LAKBEXUKKRQZDU-LBPRGKRZSA-N 2 2 303.387 2.775 20 5 DFBDLP CC1(C)CCC[NH2+][C@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414920888 295835350 /nfs/dbraw/zinc/83/53/50/295835350.db2.gz AKMFVMURPXJJJX-SBSDFTTDSA-N 2 2 303.406 2.976 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925432 295836040 /nfs/dbraw/zinc/83/60/40/295836040.db2.gz JPHAQEAIOUWESG-SWLSCSKDSA-N 2 2 315.373 2.942 20 5 DFBDLP COCC[NH2+]C1CC[NH+]([C@H](C)c2cc([N+](=O)[O-])ccc2C)CC1 ZINC000593728449 398677919 /nfs/dbraw/zinc/67/79/19/398677919.db2.gz HVXBYPMBUBOOSU-CQSZACIVSA-N 2 2 321.421 2.665 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577863 398773183 /nfs/dbraw/zinc/77/31/83/398773183.db2.gz JUQXSTKUBMSHRL-JSGCOSHPSA-N 2 2 307.394 2.786 20 5 DFBDLP CCC[N@@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094131 398904791 /nfs/dbraw/zinc/90/47/91/398904791.db2.gz DOENBEARLUDXNF-IRXDYDNUSA-N 2 2 317.433 2.990 20 5 DFBDLP CCC[N@H+]1CC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000595094131 398904793 /nfs/dbraw/zinc/90/47/93/398904793.db2.gz DOENBEARLUDXNF-IRXDYDNUSA-N 2 2 317.433 2.990 20 5 DFBDLP CN(C[C@@H]1CC[N@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599039282 398911322 /nfs/dbraw/zinc/91/13/22/398911322.db2.gz RCJBWMLXJKONTI-GFCCVEGCSA-N 2 2 300.362 2.531 20 5 DFBDLP CN(C[C@@H]1CC[N@@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599039282 398911324 /nfs/dbraw/zinc/91/13/24/398911324.db2.gz RCJBWMLXJKONTI-GFCCVEGCSA-N 2 2 300.362 2.531 20 5 DFBDLP CN(C[C@H]1CC[N@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599039285 398911663 /nfs/dbraw/zinc/91/16/63/398911663.db2.gz RCJBWMLXJKONTI-LBPRGKRZSA-N 2 2 300.362 2.531 20 5 DFBDLP CN(C[C@H]1CC[N@@H+](C)C1)c1ccc2c[nH+]ccc2c1[N+](=O)[O-] ZINC000599039285 398911666 /nfs/dbraw/zinc/91/16/66/398911666.db2.gz RCJBWMLXJKONTI-LBPRGKRZSA-N 2 2 300.362 2.531 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397645 296186081 /nfs/dbraw/zinc/18/60/81/296186081.db2.gz MTEHHMBSFGCHAA-DOMZBBRYSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420397645 296186083 /nfs/dbraw/zinc/18/60/83/296186083.db2.gz MTEHHMBSFGCHAA-DOMZBBRYSA-N 2 2 307.369 2.698 20 5 DFBDLP C[N@@H+]1C[C@@H]2CCCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601179127 399249183 /nfs/dbraw/zinc/24/91/83/399249183.db2.gz MKUQKBYYXCQQFC-YVEFUNNKSA-N 2 2 312.373 2.673 20 5 DFBDLP C[N@H+]1C[C@@H]2CCCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601179127 399249184 /nfs/dbraw/zinc/24/91/84/399249184.db2.gz MKUQKBYYXCQQFC-YVEFUNNKSA-N 2 2 312.373 2.673 20 5 DFBDLP C[N@@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000614779802 399267487 /nfs/dbraw/zinc/26/74/87/399267487.db2.gz NZMFXJQDMSQLRU-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1c(F)cccc1[N+](=O)[O-])C[C@H]1CCc2[nH+]ccn2C1 ZINC000614779802 399267492 /nfs/dbraw/zinc/26/74/92/399267492.db2.gz NZMFXJQDMSQLRU-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP Cc1c(C[NH+]2CCC(n3cc[nH+]c3)CC2)cccc1[N+](=O)[O-] ZINC000109792359 194285433 /nfs/dbraw/zinc/28/54/33/194285433.db2.gz NINWMAHBWMWISY-UHFFFAOYSA-N 2 2 300.362 2.937 20 5 DFBDLP CCC[NH+]1CCC([NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602587206 399483937 /nfs/dbraw/zinc/48/39/37/399483937.db2.gz PSGLLRDXADTNDL-UHFFFAOYSA-N 2 2 318.377 2.700 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347017334 285005036 /nfs/dbraw/zinc/00/50/36/285005036.db2.gz DJYPIHWGYADTBM-STQMWFEESA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000347017334 285005042 /nfs/dbraw/zinc/00/50/42/285005042.db2.gz DJYPIHWGYADTBM-STQMWFEESA-N 2 2 307.394 2.553 20 5 DFBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000602752350 399556244 /nfs/dbraw/zinc/55/62/44/399556244.db2.gz LRPPDMALUBAKJB-XQDHMALISA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])[C@@H]1C[NH+]2CCC1CC2 ZINC000602752350 399556246 /nfs/dbraw/zinc/55/62/46/399556246.db2.gz LRPPDMALUBAKJB-XQDHMALISA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909340 286242157 /nfs/dbraw/zinc/24/21/57/286242157.db2.gz UCZRSJILVALEMM-INIZCTEOSA-N 2 2 303.406 2.827 20 5 DFBDLP C[N@H+]1CCCC[C@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909340 286242159 /nfs/dbraw/zinc/24/21/59/286242159.db2.gz UCZRSJILVALEMM-INIZCTEOSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909340 286242161 /nfs/dbraw/zinc/24/21/61/286242161.db2.gz UCZRSJILVALEMM-INIZCTEOSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@H]1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909340 286242162 /nfs/dbraw/zinc/24/21/62/286242162.db2.gz UCZRSJILVALEMM-INIZCTEOSA-N 2 2 303.406 2.827 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cc1[N+](=O)[O-] ZINC000427896077 296671542 /nfs/dbraw/zinc/67/15/42/296671542.db2.gz VAFSKIGYLVYCBZ-GXTWGEPZSA-N 2 2 300.362 2.765 20 5 DFBDLP COc1cc(C[NH+]2CCC(n3cc[nH+]c3)CC2)ccc1[N+](=O)[O-] ZINC000352553270 286405833 /nfs/dbraw/zinc/40/58/33/286405833.db2.gz BDXNDRSXKOWYQC-UHFFFAOYSA-N 2 2 316.361 2.637 20 5 DFBDLP CC(C)[N@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155736698 425924929 /nfs/dbraw/zinc/92/49/29/425924929.db2.gz TZSITWAUVKCERE-INIZCTEOSA-N 2 2 305.422 2.846 20 5 DFBDLP CC(C)[N@@H+](C)CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000155736698 425924932 /nfs/dbraw/zinc/92/49/32/425924932.db2.gz TZSITWAUVKCERE-INIZCTEOSA-N 2 2 305.422 2.846 20 5 DFBDLP COc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000075861382 426088430 /nfs/dbraw/zinc/08/84/30/426088430.db2.gz MIDDQRLCBAMCRR-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1[N+](=O)[O-] ZINC000075861382 426088431 /nfs/dbraw/zinc/08/84/31/426088431.db2.gz MIDDQRLCBAMCRR-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1[N+](=O)[O-] ZINC000075861382 426088434 /nfs/dbraw/zinc/08/84/34/426088434.db2.gz MIDDQRLCBAMCRR-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000075861382 426088436 /nfs/dbraw/zinc/08/84/36/426088436.db2.gz MIDDQRLCBAMCRR-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408317 426099119 /nfs/dbraw/zinc/09/91/19/426099119.db2.gz OGDREKATFGBTOE-DLBZAZTESA-N 2 2 321.421 2.746 20 5 DFBDLP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CCOC)c1cccc([N+](=O)[O-])c1 ZINC000163408317 426099122 /nfs/dbraw/zinc/09/91/22/426099122.db2.gz OGDREKATFGBTOE-DLBZAZTESA-N 2 2 321.421 2.746 20 5 DFBDLP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570438 426225002 /nfs/dbraw/zinc/22/50/02/426225002.db2.gz KIDMYYRWWRNCIH-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570438 426225004 /nfs/dbraw/zinc/22/50/04/426225004.db2.gz KIDMYYRWWRNCIH-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570438 426225007 /nfs/dbraw/zinc/22/50/07/426225007.db2.gz KIDMYYRWWRNCIH-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC)C1 ZINC000081570438 426225011 /nfs/dbraw/zinc/22/50/11/426225011.db2.gz KIDMYYRWWRNCIH-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+]2C)cc1[N+](=O)[O-] ZINC000153209585 426376623 /nfs/dbraw/zinc/37/66/23/426376623.db2.gz CZKSWXFZPYNAJW-JSGCOSHPSA-N 2 2 307.394 2.738 20 5 DFBDLP COCC[NH+]1CCC([NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2C)CC1 ZINC000154850369 426457817 /nfs/dbraw/zinc/45/78/17/426457817.db2.gz NQCQFKKWXVNRRB-AWEZNQCLSA-N 2 2 321.421 2.665 20 5 DFBDLP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc([N+](=O)[O-])c1 ZINC000178292297 426598989 /nfs/dbraw/zinc/59/89/89/426598989.db2.gz DZATXSBBHMTYEJ-MRXNPFEDSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000178323676 426606035 /nfs/dbraw/zinc/60/60/35/426606035.db2.gz NWTLGYMXKWLEAF-ZDUSSCGKSA-N 2 2 306.391 2.826 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1csc([N+](=O)[O-])c1 ZINC000178323676 426606037 /nfs/dbraw/zinc/60/60/37/426606037.db2.gz NWTLGYMXKWLEAF-ZDUSSCGKSA-N 2 2 306.391 2.826 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCC1 ZINC000275800624 426921742 /nfs/dbraw/zinc/92/17/42/426921742.db2.gz YKMMOIHXNKSWRG-CQSZACIVSA-N 2 2 305.422 2.990 20 5 DFBDLP Cc1cc(N[C@@H](C)C[NH+](C)C)nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000286408473 427518549 /nfs/dbraw/zinc/51/85/49/427518549.db2.gz MCHJSUBAMCIWTK-LBPRGKRZSA-N 2 2 315.377 2.722 20 5 DFBDLP Cc1[nH+]ccn1CC[N@@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000299016629 427739828 /nfs/dbraw/zinc/73/98/28/427739828.db2.gz HKIVTAGNORHFSN-UHFFFAOYSA-N 2 2 308.769 2.885 20 5 DFBDLP Cc1[nH+]ccn1CC[N@H+](C)Cc1cc([N+](=O)[O-])ccc1Cl ZINC000299016629 427739832 /nfs/dbraw/zinc/73/98/32/427739832.db2.gz HKIVTAGNORHFSN-UHFFFAOYSA-N 2 2 308.769 2.885 20 5 DFBDLP CC[C@@H]([NH2+][C@H]1CCc2[nH+]c[nH]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412787 428124486 /nfs/dbraw/zinc/12/44/86/428124486.db2.gz OUWGMLAOWQZGQO-GXTWGEPZSA-N 2 2 300.362 2.916 20 5 DFBDLP CC[C@@H]([NH2+][C@H]1CCc2[nH]c[nH+]c2C1)c1cccc([N+](=O)[O-])c1 ZINC000377412787 428124492 /nfs/dbraw/zinc/12/44/92/428124492.db2.gz OUWGMLAOWQZGQO-GXTWGEPZSA-N 2 2 300.362 2.916 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535423 428138294 /nfs/dbraw/zinc/13/82/94/428138294.db2.gz QJHQSBMDEYPSRG-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535423 428138297 /nfs/dbraw/zinc/13/82/97/428138297.db2.gz QJHQSBMDEYPSRG-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535423 428138301 /nfs/dbraw/zinc/13/83/01/428138301.db2.gz QJHQSBMDEYPSRG-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1[N+](=O)[O-] ZINC000352535423 428138306 /nfs/dbraw/zinc/13/83/06/428138306.db2.gz QJHQSBMDEYPSRG-HUUCEWRRSA-N 2 2 319.405 2.520 20 5 DFBDLP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1[N+](=O)[O-] ZINC000352741251 428228289 /nfs/dbraw/zinc/22/82/89/428228289.db2.gz DMOITNXOAYEVHE-NSHDSACASA-N 2 2 320.418 2.964 20 5 DFBDLP C[N@@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377677609 428193639 /nfs/dbraw/zinc/19/36/39/428193639.db2.gz KZRLLMRRCARDSN-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP C[N@H+](Cc1cc(F)ccc1[N+](=O)[O-])C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377677609 428193643 /nfs/dbraw/zinc/19/36/43/428193643.db2.gz KZRLLMRRCARDSN-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773253 428402072 /nfs/dbraw/zinc/40/20/72/428402072.db2.gz SIJQCOTZVUCVAH-XHDPSFHLSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414773253 428402075 /nfs/dbraw/zinc/40/20/75/428402075.db2.gz SIJQCOTZVUCVAH-XHDPSFHLSA-N 2 2 301.346 2.776 20 5 DFBDLP [NH3+][C@@H](C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414889254 428445941 /nfs/dbraw/zinc/44/59/41/428445941.db2.gz LGDWTSUWLOFRJE-AWEZNQCLSA-N 2 2 318.402 2.545 20 5 DFBDLP C[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 ZINC000414921264 428458837 /nfs/dbraw/zinc/45/88/37/428458837.db2.gz AODVRKCMYPMTLM-LLVKDONJSA-N 2 2 319.336 2.963 20 5 DFBDLP C[N@@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCn1cc[nH+]c1 ZINC000349409642 428986258 /nfs/dbraw/zinc/98/62/58/428986258.db2.gz SEUSSRDZZSIKPN-DAXSKMNVSA-N 2 2 300.362 2.827 20 5 DFBDLP C[N@H+](C/C=C\c1ccccc1[N+](=O)[O-])CCCn1cc[nH+]c1 ZINC000349409642 428986265 /nfs/dbraw/zinc/98/62/65/428986265.db2.gz SEUSSRDZZSIKPN-DAXSKMNVSA-N 2 2 300.362 2.827 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCCC[C@H]1C ZINC000449079290 429324766 /nfs/dbraw/zinc/32/47/66/429324766.db2.gz OHMWVDAMISZCBM-HUUCEWRRSA-N 2 2 305.422 2.990 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCCC[C@H]1C ZINC000449079290 429324769 /nfs/dbraw/zinc/32/47/69/429324769.db2.gz OHMWVDAMISZCBM-HUUCEWRRSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[N@@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142992 429341862 /nfs/dbraw/zinc/34/18/62/429341862.db2.gz PHHVTUYUTPVNQN-HOCLYGCPSA-N 2 2 305.422 2.990 20 5 DFBDLP CC[N@H+]1CCCC[C@H]1C[NH2+][C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC000449142992 429341865 /nfs/dbraw/zinc/34/18/65/429341865.db2.gz PHHVTUYUTPVNQN-HOCLYGCPSA-N 2 2 305.422 2.990 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430639320 429704522 /nfs/dbraw/zinc/70/45/22/429704522.db2.gz PATSYVIVYUVCNP-ZDUSSCGKSA-N 2 2 307.394 2.553 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430639320 429704525 /nfs/dbraw/zinc/70/45/25/429704525.db2.gz PATSYVIVYUVCNP-ZDUSSCGKSA-N 2 2 307.394 2.553 20 5 DFBDLP O=[N+]([O-])c1ccc([C@@H]2CCC[N@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000451551197 429852137 /nfs/dbraw/zinc/85/21/37/429852137.db2.gz TUGMPKLUEMBRLC-OAHLLOKOSA-N 2 2 300.362 2.671 20 5 DFBDLP O=[N+]([O-])c1ccc([C@@H]2CCC[N@@H+](CCn3cc[nH+]c3)C2)cc1 ZINC000451551197 429852140 /nfs/dbraw/zinc/85/21/40/429852140.db2.gz TUGMPKLUEMBRLC-OAHLLOKOSA-N 2 2 300.362 2.671 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCn3cc[nH+]c3C1)CCC2 ZINC000447603502 297310736 /nfs/dbraw/zinc/31/07/36/297310736.db2.gz XXKDHLKJODZKGB-CZUORRHYSA-N 2 2 312.373 2.773 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000580465409 323391073 /nfs/dbraw/zinc/39/10/73/323391073.db2.gz HPNJKMSTCCBXFR-YQQAZPJKSA-N 2 2 301.390 2.799 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000580465409 323391077 /nfs/dbraw/zinc/39/10/77/323391077.db2.gz HPNJKMSTCCBXFR-YQQAZPJKSA-N 2 2 301.390 2.799 20 5 DFBDLP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000157458940 521565663 /nfs/dbraw/zinc/56/56/63/521565663.db2.gz GKSRLYJWTBSHSD-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000157458940 521565669 /nfs/dbraw/zinc/56/56/69/521565669.db2.gz GKSRLYJWTBSHSD-UHFFFAOYSA-N 2 2 307.394 2.520 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655525 527468577 /nfs/dbraw/zinc/46/85/77/527468577.db2.gz AYBLSDSKJBWKRW-AWEZNQCLSA-N 2 2 300.362 2.708 20 5 DFBDLP Cn1cc[nH+]c1[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000365655525 527468581 /nfs/dbraw/zinc/46/85/81/527468581.db2.gz AYBLSDSKJBWKRW-AWEZNQCLSA-N 2 2 300.362 2.708 20 5 DFBDLP C[N@@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883754 529802544 /nfs/dbraw/zinc/80/25/44/529802544.db2.gz YAFFLNHPHZMJMC-UKINESCASA-N 2 2 301.390 2.636 20 5 DFBDLP C[N@H+]1CC[C@@]2(CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883754 529802545 /nfs/dbraw/zinc/80/25/45/529802545.db2.gz YAFFLNHPHZMJMC-UKINESCASA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@@]2(CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883754 529802546 /nfs/dbraw/zinc/80/25/46/529802546.db2.gz YAFFLNHPHZMJMC-UKINESCASA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@@]2(CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])C2)C1 ZINC000292883754 529802547 /nfs/dbraw/zinc/80/25/47/529802547.db2.gz YAFFLNHPHZMJMC-UKINESCASA-N 2 2 301.390 2.636 20 5 DFBDLP C[N@@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689100 210095843 /nfs/dbraw/zinc/09/58/43/210095843.db2.gz WUGCVZDNJVIHEU-DVJJNNKXSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689100 210095846 /nfs/dbraw/zinc/09/58/46/210095846.db2.gz WUGCVZDNJVIHEU-DVJJNNKXSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689100 210095852 /nfs/dbraw/zinc/09/58/52/210095852.db2.gz WUGCVZDNJVIHEU-DVJJNNKXSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000272689100 210095853 /nfs/dbraw/zinc/09/58/53/210095853.db2.gz WUGCVZDNJVIHEU-DVJJNNKXSA-N 2 2 301.390 2.634 20 5 DFBDLP Cc1[nH+]cc(C[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000596979772 398540280 /nfs/dbraw/zinc/54/02/80/398540280.db2.gz OBEBDEZQMSWRPS-UHFFFAOYSA-N 2 2 300.362 2.801 20 5 DFBDLP Cc1[nH+]cc(C[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)n1C ZINC000596979772 398540284 /nfs/dbraw/zinc/54/02/84/398540284.db2.gz OBEBDEZQMSWRPS-UHFFFAOYSA-N 2 2 300.362 2.801 20 5 DFBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CC[NH2+]C1CC1 ZINC000591577239 398773059 /nfs/dbraw/zinc/77/30/59/398773059.db2.gz FVAGLHPFTDRDRQ-LBPRGKRZSA-N 2 2 309.435 2.807 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000595002962 398889464 /nfs/dbraw/zinc/88/94/64/398889464.db2.gz AAFUXFMNZCBGHW-GFCCVEGCSA-N 2 2 319.405 2.881 20 5 DFBDLP Cc1c[nH+]ccc1CC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000598894801 398890968 /nfs/dbraw/zinc/89/09/68/398890968.db2.gz BYVSELLYTUPYAS-UHFFFAOYSA-N 2 2 312.329 2.772 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCCCn1cc[nH+]c1 ZINC000595011479 398891999 /nfs/dbraw/zinc/89/19/99/398891999.db2.gz FNIMGGKUMOYWSC-CYBMUJFWSA-N 2 2 318.377 2.931 20 5 DFBDLP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015740 398891909 /nfs/dbraw/zinc/89/19/09/398891909.db2.gz GNFKGGJDGSKYPU-KBPBESRZSA-N 2 2 321.421 2.986 20 5 DFBDLP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2OC)C1 ZINC000595015740 398891912 /nfs/dbraw/zinc/89/19/12/398891912.db2.gz GNFKGGJDGSKYPU-KBPBESRZSA-N 2 2 321.421 2.986 20 5 DFBDLP CC[N@@H+]1C[C@@H](C)[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063235 398915573 /nfs/dbraw/zinc/91/55/73/398915573.db2.gz XZNHWNOJYWLXIX-ABAIWWIYSA-N 2 2 300.362 2.895 20 5 DFBDLP CC[N@H+]1C[C@@H](C)[C@@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063235 398915575 /nfs/dbraw/zinc/91/55/75/398915575.db2.gz XZNHWNOJYWLXIX-ABAIWWIYSA-N 2 2 300.362 2.895 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344412 398925227 /nfs/dbraw/zinc/92/52/27/398925227.db2.gz DQKTWLCGVAOKOV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344412 398925230 /nfs/dbraw/zinc/92/52/30/398925230.db2.gz DQKTWLCGVAOKOV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344412 398925234 /nfs/dbraw/zinc/92/52/34/398925234.db2.gz DQKTWLCGVAOKOV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344412 398925236 /nfs/dbraw/zinc/92/52/36/398925236.db2.gz DQKTWLCGVAOKOV-WFASDCNBSA-N 2 2 307.369 2.650 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420385817 296184449 /nfs/dbraw/zinc/18/44/49/296184449.db2.gz FJCOYEZURBCUHY-BBRMVZONSA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420385817 296184450 /nfs/dbraw/zinc/18/44/50/296184450.db2.gz FJCOYEZURBCUHY-BBRMVZONSA-N 2 2 319.405 2.567 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267431685 206061526 /nfs/dbraw/zinc/06/15/26/206061526.db2.gz MSJGSBILQXSSOX-CYBMUJFWSA-N 2 2 316.361 2.576 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)cc1 ZINC000267431685 206061530 /nfs/dbraw/zinc/06/15/30/206061530.db2.gz MSJGSBILQXSSOX-CYBMUJFWSA-N 2 2 316.361 2.576 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260515 399311636 /nfs/dbraw/zinc/31/16/36/399311636.db2.gz UTHJGOPJIXNAMX-MRXNPFEDSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C1 ZINC000609260515 399311638 /nfs/dbraw/zinc/31/16/38/399311638.db2.gz UTHJGOPJIXNAMX-MRXNPFEDSA-N 2 2 300.362 2.937 20 5 DFBDLP C[N@@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804179 399408018 /nfs/dbraw/zinc/40/80/18/399408018.db2.gz MCBMINGJCRETFH-HOTGVXAUSA-N 2 2 303.406 2.600 20 5 DFBDLP C[N@H+]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2[N+](=O)[O-])C2CC2)C1 ZINC000610804179 399408020 /nfs/dbraw/zinc/40/80/20/399408020.db2.gz MCBMINGJCRETFH-HOTGVXAUSA-N 2 2 303.406 2.600 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000602635466 399498725 /nfs/dbraw/zinc/49/87/25/399498725.db2.gz YYWHBSQWYNJANJ-QGZVFWFLSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@H]2CCCC[N@H+]2C2CC2)cc1 ZINC000602635466 399498727 /nfs/dbraw/zinc/49/87/27/399498727.db2.gz YYWHBSQWYNJANJ-QGZVFWFLSA-N 2 2 303.406 2.744 20 5 DFBDLP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000423082734 296376213 /nfs/dbraw/zinc/37/62/13/296376213.db2.gz FVSGLVKZEJSEON-NOZJJQNGSA-N 2 2 317.311 2.844 20 5 DFBDLP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090210 296376996 /nfs/dbraw/zinc/37/69/96/296376996.db2.gz UWYMRLVBGGAFDR-VXGBXAGGSA-N 2 2 303.284 2.583 20 5 DFBDLP Cc1cc(NCC(C)(C)[NH3+])nc(-c2ccc([N+](=O)[O-])cc2)[nH+]1 ZINC000261823523 146283396 /nfs/dbraw/zinc/28/33/96/146283396.db2.gz UUQJELRMPHRUKZ-UHFFFAOYSA-N 2 2 301.350 2.509 20 5 DFBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000262137810 146337894 /nfs/dbraw/zinc/33/78/94/146337894.db2.gz YUQMIPDCXOMTDW-ABAIWWIYSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000262137810 146337895 /nfs/dbraw/zinc/33/78/95/146337895.db2.gz YUQMIPDCXOMTDW-ABAIWWIYSA-N 2 2 301.346 2.634 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCOCC2)cc1[N+](=O)[O-] ZINC000153200695 292196030 /nfs/dbraw/zinc/19/60/30/292196030.db2.gz WFORSQMSLHWYEO-DZGCQCFKSA-N 2 2 321.421 2.522 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000373774821 150256313 /nfs/dbraw/zinc/25/63/13/150256313.db2.gz YTXQSOXAQQWOAL-CYBMUJFWSA-N 2 2 316.361 2.706 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000373774821 150256317 /nfs/dbraw/zinc/25/63/17/150256317.db2.gz YTXQSOXAQQWOAL-CYBMUJFWSA-N 2 2 316.361 2.706 20 5 DFBDLP Cc1c([C@H](C)[NH2+][C@@H]2CCn3cc[nH+]c3C2)cccc1[N+](=O)[O-] ZINC000427839251 296669911 /nfs/dbraw/zinc/66/99/11/296669911.db2.gz DHDJXIANUGFWSR-QWHCGFSZSA-N 2 2 300.362 2.765 20 5 DFBDLP C[C@@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247029240 158113864 /nfs/dbraw/zinc/11/38/64/158113864.db2.gz DLKIFTVUOXZLHM-CZUORRHYSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247029240 158113865 /nfs/dbraw/zinc/11/38/65/158113865.db2.gz DLKIFTVUOXZLHM-CZUORRHYSA-N 2 2 300.362 2.874 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000123799439 426453490 /nfs/dbraw/zinc/45/34/90/426453490.db2.gz VAGMUPKXEZGCQF-GFCCVEGCSA-N 2 2 320.418 2.845 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000123799439 426453492 /nfs/dbraw/zinc/45/34/92/426453492.db2.gz VAGMUPKXEZGCQF-GFCCVEGCSA-N 2 2 320.418 2.845 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123774699 426452832 /nfs/dbraw/zinc/45/28/32/426452832.db2.gz MHWKPFWGSIDKBG-HNNXBMFYSA-N 2 2 314.389 2.783 20 5 DFBDLP Cn1cc[nH+]c1C[C@@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123774699 426452835 /nfs/dbraw/zinc/45/28/35/426452835.db2.gz MHWKPFWGSIDKBG-HNNXBMFYSA-N 2 2 314.389 2.783 20 5 DFBDLP CC(C)C[N@@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691628 426974388 /nfs/dbraw/zinc/97/43/88/426974388.db2.gz FNOQKOYJBWRQAZ-WMLDXEAASA-N 2 2 321.421 2.602 20 5 DFBDLP CC(C)C[N@H+]1CCO[C@H](C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)C1 ZINC000181691628 426974393 /nfs/dbraw/zinc/97/43/93/426974393.db2.gz FNOQKOYJBWRQAZ-WMLDXEAASA-N 2 2 321.421 2.602 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293612 426990866 /nfs/dbraw/zinc/99/08/66/426990866.db2.gz YBBVGFAIVUEIDU-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293612 426990873 /nfs/dbraw/zinc/99/08/73/426990873.db2.gz YBBVGFAIVUEIDU-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293612 426990882 /nfs/dbraw/zinc/99/08/82/426990882.db2.gz YBBVGFAIVUEIDU-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@@H](C)C1 ZINC000283293612 426990885 /nfs/dbraw/zinc/99/08/85/426990885.db2.gz YBBVGFAIVUEIDU-SWLSCSKDSA-N 2 2 309.385 2.896 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247797778 271262732 /nfs/dbraw/zinc/26/27/32/271262732.db2.gz ZVQUXSJHHNBMLW-WCQYABFASA-N 2 2 306.391 2.936 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2csc([N+](=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000247797778 271262736 /nfs/dbraw/zinc/26/27/36/271262736.db2.gz ZVQUXSJHHNBMLW-WCQYABFASA-N 2 2 306.391 2.936 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428266 427772874 /nfs/dbraw/zinc/77/28/74/427772874.db2.gz GXHIJJJPAHRRLH-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000339428266 427772876 /nfs/dbraw/zinc/77/28/76/427772876.db2.gz GXHIJJJPAHRRLH-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339428266 427772877 /nfs/dbraw/zinc/77/28/77/427772877.db2.gz GXHIJJJPAHRRLH-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339428266 427772879 /nfs/dbraw/zinc/77/28/79/427772879.db2.gz GXHIJJJPAHRRLH-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000339432747 427773570 /nfs/dbraw/zinc/77/35/70/427773570.db2.gz LRLNMQFOIOWERP-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000339432747 427773571 /nfs/dbraw/zinc/77/35/71/427773571.db2.gz LRLNMQFOIOWERP-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000339432747 427773573 /nfs/dbraw/zinc/77/35/73/427773573.db2.gz LRLNMQFOIOWERP-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000339432747 427773575 /nfs/dbraw/zinc/77/35/75/427773575.db2.gz LRLNMQFOIOWERP-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352541509 428142797 /nfs/dbraw/zinc/14/27/97/428142797.db2.gz YNWOJJCIXFTZIX-OAHLLOKOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)ccc1[N+](=O)[O-] ZINC000352541509 428142802 /nfs/dbraw/zinc/14/28/02/428142802.db2.gz YNWOJJCIXFTZIX-OAHLLOKOSA-N 2 2 319.405 2.521 20 5 DFBDLP Cn1c[nH+]c(CC[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)c1 ZINC000414127099 428214308 /nfs/dbraw/zinc/21/43/08/428214308.db2.gz PJFFUGRLDBWYNS-MRXNPFEDSA-N 2 2 300.362 2.538 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]CCc2cn(C)c[nH+]2)cc1[N+](=O)[O-] ZINC000414128115 428215717 /nfs/dbraw/zinc/21/57/17/428215717.db2.gz RBWVWHXLCBXCDE-GFCCVEGCSA-N 2 2 318.377 2.620 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@H+](C)[C@H]1C ZINC000346808860 428327725 /nfs/dbraw/zinc/32/77/25/428327725.db2.gz OGVASHDIQATAFL-YCPHGPKFSA-N 2 2 305.422 2.988 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCC[N@@H+](C)[C@H]1C ZINC000346808860 428327731 /nfs/dbraw/zinc/32/77/31/428327731.db2.gz OGVASHDIQATAFL-YCPHGPKFSA-N 2 2 305.422 2.988 20 5 DFBDLP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347103142 428447386 /nfs/dbraw/zinc/44/73/86/428447386.db2.gz LXCGSPRLACGGMX-CQSZACIVSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000347103142 428447389 /nfs/dbraw/zinc/44/73/89/428447389.db2.gz LXCGSPRLACGGMX-CQSZACIVSA-N 2 2 301.346 2.778 20 5 DFBDLP C[NH2+]CCC[N@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415138019 428534374 /nfs/dbraw/zinc/53/43/74/428534374.db2.gz UWMLSQPUOFLORJ-UHFFFAOYSA-N 2 2 303.362 2.896 20 5 DFBDLP C[NH2+]CCC[N@@H+](C)Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000415138019 428534381 /nfs/dbraw/zinc/53/43/81/428534381.db2.gz UWMLSQPUOFLORJ-UHFFFAOYSA-N 2 2 303.362 2.896 20 5 DFBDLP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000332057270 274307887 /nfs/dbraw/zinc/30/78/87/274307887.db2.gz ZROCDTRDXYFLNM-XFBWCDHKSA-N 2 2 303.406 2.905 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](CC)CCC[NH+](C)C ZINC000349380061 428979205 /nfs/dbraw/zinc/97/92/05/428979205.db2.gz CZPBFPNXZAWHJG-UHFFFAOYSA-N 2 2 309.410 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](CC)CCC[NH+](C)C ZINC000349380061 428979211 /nfs/dbraw/zinc/97/92/11/428979211.db2.gz CZPBFPNXZAWHJG-UHFFFAOYSA-N 2 2 309.410 2.767 20 5 DFBDLP COc1ccc(-c2ccc(C[N@H+](C)[C@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435386676 429137590 /nfs/dbraw/zinc/13/75/90/429137590.db2.gz UYJLVKWYAHSBAK-LLVKDONJSA-N 2 2 319.361 2.642 20 5 DFBDLP COc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)C[NH3+])o2)c([N+](=O)[O-])c1 ZINC000435386676 429137593 /nfs/dbraw/zinc/13/75/93/429137593.db2.gz UYJLVKWYAHSBAK-LLVKDONJSA-N 2 2 319.361 2.642 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173881319 275039852 /nfs/dbraw/zinc/03/98/52/275039852.db2.gz JCXBTROHMRWUCV-OAHLLOKOSA-N 2 2 303.406 2.903 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000173881319 275039853 /nfs/dbraw/zinc/03/98/53/275039853.db2.gz JCXBTROHMRWUCV-OAHLLOKOSA-N 2 2 303.406 2.903 20 5 DFBDLP CC(C)[N@@H+]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000449194636 429355226 /nfs/dbraw/zinc/35/52/26/429355226.db2.gz VAURTIBPDHEAAS-LZWOXQAQSA-N 2 2 305.422 2.844 20 5 DFBDLP CC(C)[N@H+]1C[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C1 ZINC000449194636 429355230 /nfs/dbraw/zinc/35/52/30/429355230.db2.gz VAURTIBPDHEAAS-LZWOXQAQSA-N 2 2 305.422 2.844 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000366618325 429488409 /nfs/dbraw/zinc/48/84/09/429488409.db2.gz DTPGBMMLNUDJSN-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000366618325 429488411 /nfs/dbraw/zinc/48/84/11/429488411.db2.gz DTPGBMMLNUDJSN-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000366618325 429488416 /nfs/dbraw/zinc/48/84/16/429488416.db2.gz DTPGBMMLNUDJSN-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000366618325 429488421 /nfs/dbraw/zinc/48/84/21/429488421.db2.gz DTPGBMMLNUDJSN-CJNGLKHVSA-N 2 2 319.405 2.520 20 5 DFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838322 429531054 /nfs/dbraw/zinc/53/10/54/429531054.db2.gz XKFNRZPSJUMNGM-HFBAOOFYSA-N 2 2 301.390 2.654 20 5 DFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838322 429531056 /nfs/dbraw/zinc/53/10/56/429531056.db2.gz XKFNRZPSJUMNGM-HFBAOOFYSA-N 2 2 301.390 2.654 20 5 DFBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430243448 429667491 /nfs/dbraw/zinc/66/74/91/429667491.db2.gz LMXTWGUUJNEEOT-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)CC1 ZINC000430243448 429667495 /nfs/dbraw/zinc/66/74/95/429667495.db2.gz LMXTWGUUJNEEOT-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCCC[N@H+](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587632 430222073 /nfs/dbraw/zinc/22/20/73/430222073.db2.gz RAUWNNQICBHGSK-LSDHHAIUSA-N 2 2 323.441 2.597 20 5 DFBDLP CCCC[N@@H+](C)CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000581587632 430222075 /nfs/dbraw/zinc/22/20/75/430222075.db2.gz RAUWNNQICBHGSK-LSDHHAIUSA-N 2 2 323.441 2.597 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357050199 278036337 /nfs/dbraw/zinc/03/63/37/278036337.db2.gz LXJUKARBAVKULU-CABCVRRESA-N 2 2 303.406 2.760 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357050199 278036339 /nfs/dbraw/zinc/03/63/39/278036339.db2.gz LXJUKARBAVKULU-CABCVRRESA-N 2 2 303.406 2.760 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363413675 289090559 /nfs/dbraw/zinc/09/05/59/289090559.db2.gz FZJUQAVTFYPEEK-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363413675 289090565 /nfs/dbraw/zinc/09/05/65/289090565.db2.gz FZJUQAVTFYPEEK-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363413675 289090567 /nfs/dbraw/zinc/09/05/67/289090567.db2.gz FZJUQAVTFYPEEK-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000363413675 289090570 /nfs/dbraw/zinc/09/05/70/289090570.db2.gz FZJUQAVTFYPEEK-HYVNUMGLSA-N 2 2 301.390 2.511 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cccc1[N+](=O)[O-] ZINC000534580659 301234665 /nfs/dbraw/zinc/23/46/65/301234665.db2.gz LGQOUWYZZJRNQI-AWEZNQCLSA-N 2 2 300.362 2.626 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562838007 302007742 /nfs/dbraw/zinc/00/77/42/302007742.db2.gz YDJXLKWVBKDEOM-SJORKVTESA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000562838007 302007744 /nfs/dbraw/zinc/00/77/44/302007744.db2.gz YDJXLKWVBKDEOM-SJORKVTESA-N 2 2 319.405 2.580 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578949719 318296556 /nfs/dbraw/zinc/29/65/56/318296556.db2.gz NYVXSFPNWUUEAO-OLZOCXBDSA-N 2 2 300.362 2.879 20 5 DFBDLP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1CC[C@H](c2[nH+]ccn2C)C1 ZINC000578949719 318296558 /nfs/dbraw/zinc/29/65/58/318296558.db2.gz NYVXSFPNWUUEAO-OLZOCXBDSA-N 2 2 300.362 2.879 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465687 398542901 /nfs/dbraw/zinc/54/29/01/398542901.db2.gz MCRAMIIPMNXHLK-XJKSGUPXSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000319465687 398542905 /nfs/dbraw/zinc/54/29/05/398542905.db2.gz MCRAMIIPMNXHLK-XJKSGUPXSA-N 2 2 307.369 2.698 20 5 DFBDLP C[N@@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053948 398592595 /nfs/dbraw/zinc/59/25/95/398592595.db2.gz YAFFLNHPHZMJMC-AATOQMJSSA-N 2 2 301.390 2.636 20 5 DFBDLP C[N@H+]1CC[C@]2(CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053948 398592597 /nfs/dbraw/zinc/59/25/97/398592597.db2.gz YAFFLNHPHZMJMC-AATOQMJSSA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@]2(CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053948 398592598 /nfs/dbraw/zinc/59/25/98/398592598.db2.gz YAFFLNHPHZMJMC-AATOQMJSSA-N 2 2 301.390 2.636 20 5 DFBDLP C[NH+]1CC[C@]2(CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])C2)C1 ZINC000590053948 398592599 /nfs/dbraw/zinc/59/25/99/398592599.db2.gz YAFFLNHPHZMJMC-AATOQMJSSA-N 2 2 301.390 2.636 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1[N+](=O)[O-] ZINC000591577864 398773247 /nfs/dbraw/zinc/77/32/47/398773247.db2.gz JUQXSTKUBMSHRL-OCCSQVGLSA-N 2 2 307.394 2.786 20 5 DFBDLP [NH3+]C1(C[NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)CCCC1 ZINC000594738815 398853177 /nfs/dbraw/zinc/85/31/77/398853177.db2.gz OFKFLXSJDYXTDB-UHFFFAOYSA-N 2 2 315.320 2.557 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCC1 ZINC000595017264 398892456 /nfs/dbraw/zinc/89/24/56/398892456.db2.gz LFMZACRTQUEFHD-KBPBESRZSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCC1 ZINC000595017265 398892404 /nfs/dbraw/zinc/89/24/04/398892404.db2.gz LFMZACRTQUEFHD-KGLIPLIRSA-N 2 2 321.421 2.986 20 5 DFBDLP CC[N@@H+]1C[C@H](C)[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063241 398915639 /nfs/dbraw/zinc/91/56/39/398915639.db2.gz XZNHWNOJYWLXIX-XHDPSFHLSA-N 2 2 300.362 2.895 20 5 DFBDLP CC[N@H+]1C[C@H](C)[C@H](Nc2ccc3c[nH+]ccc3c2[N+](=O)[O-])C1 ZINC000599063241 398915643 /nfs/dbraw/zinc/91/56/43/398915643.db2.gz XZNHWNOJYWLXIX-XHDPSFHLSA-N 2 2 300.362 2.895 20 5 DFBDLP C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065370 398915777 /nfs/dbraw/zinc/91/57/77/398915777.db2.gz JEWMKUNOZHOSRI-OIISXLGYSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599065370 398915780 /nfs/dbraw/zinc/91/57/80/398915780.db2.gz JEWMKUNOZHOSRI-OIISXLGYSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344409 398924703 /nfs/dbraw/zinc/92/47/03/398924703.db2.gz DQKTWLCGVAOKOV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344409 398924707 /nfs/dbraw/zinc/92/47/07/398924707.db2.gz DQKTWLCGVAOKOV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344409 398924711 /nfs/dbraw/zinc/92/47/11/398924711.db2.gz DQKTWLCGVAOKOV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@@H]21 ZINC000595344409 398924715 /nfs/dbraw/zinc/92/47/15/398924715.db2.gz DQKTWLCGVAOKOV-DOMZBBRYSA-N 2 2 307.369 2.650 20 5 DFBDLP Cc1noc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429068 398936558 /nfs/dbraw/zinc/93/65/58/398936558.db2.gz BGYCWKJQXLPLSP-AAEUAGOBSA-N 2 2 322.409 2.634 20 5 DFBDLP Cc1noc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429068 398936563 /nfs/dbraw/zinc/93/65/63/398936563.db2.gz BGYCWKJQXLPLSP-AAEUAGOBSA-N 2 2 322.409 2.634 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505195 398952416 /nfs/dbraw/zinc/95/24/16/398952416.db2.gz QNQWXHBJXGDPIB-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505195 398952418 /nfs/dbraw/zinc/95/24/18/398952418.db2.gz QNQWXHBJXGDPIB-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505195 398952421 /nfs/dbraw/zinc/95/24/21/398952421.db2.gz QNQWXHBJXGDPIB-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000595505195 398952423 /nfs/dbraw/zinc/95/24/23/398952423.db2.gz QNQWXHBJXGDPIB-QGZVFWFLSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1cc(C[N@H+](C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281395237 216271079 /nfs/dbraw/zinc/27/10/79/216271079.db2.gz QBPOZDCVPDPACP-UHFFFAOYSA-N 2 2 321.421 2.911 20 5 DFBDLP CCOc1cc(C[N@@H+](C)CCC[NH+]2CCCC2)ccc1[N+](=O)[O-] ZINC000281395237 216271082 /nfs/dbraw/zinc/27/10/82/216271082.db2.gz QBPOZDCVPDPACP-UHFFFAOYSA-N 2 2 321.421 2.911 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1[N+](=O)[O-] ZINC000600712349 399119969 /nfs/dbraw/zinc/11/99/69/399119969.db2.gz XEWQINSVOLABHZ-WBMJQRKESA-N 2 2 319.405 2.929 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[NH2+]C13CCC3)CCC2 ZINC000600705780 399120825 /nfs/dbraw/zinc/12/08/25/399120825.db2.gz AFZSVHWNTSDPMM-HZPDHXFCSA-N 2 2 301.390 2.846 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904786 399129419 /nfs/dbraw/zinc/12/94/19/399129419.db2.gz LACLIIVYCUWADR-PBHICJAKSA-N 2 2 321.421 2.698 20 5 DFBDLP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595904786 399129421 /nfs/dbraw/zinc/12/94/21/399129421.db2.gz LACLIIVYCUWADR-PBHICJAKSA-N 2 2 321.421 2.698 20 5 DFBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]CC23CC(C2)C[NH2+]3)o1 ZINC000596105886 399175106 /nfs/dbraw/zinc/17/51/06/399175106.db2.gz MTNRONWAUXLSEB-UHFFFAOYSA-N 2 2 313.357 2.696 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CC=CC4)C3)c2c1 ZINC000601121259 399233489 /nfs/dbraw/zinc/23/34/89/399233489.db2.gz NKFCJDGHSFPSKN-AWEZNQCLSA-N 2 2 310.357 2.594 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267458839 206080818 /nfs/dbraw/zinc/08/08/18/206080818.db2.gz UHYSPTKJHXZZAW-LBPRGKRZSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267458839 206080821 /nfs/dbraw/zinc/08/08/21/206080821.db2.gz UHYSPTKJHXZZAW-LBPRGKRZSA-N 2 2 304.325 2.837 20 5 DFBDLP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456462 206081002 /nfs/dbraw/zinc/08/10/02/206081002.db2.gz PMJJENGUOUJHBW-BLLLJJGKSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456462 206081008 /nfs/dbraw/zinc/08/10/08/206081008.db2.gz PMJJENGUOUJHBW-BLLLJJGKSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456462 206081013 /nfs/dbraw/zinc/08/10/13/206081013.db2.gz PMJJENGUOUJHBW-BLLLJJGKSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@@H](C)C1 ZINC000267456462 206081018 /nfs/dbraw/zinc/08/10/18/206081018.db2.gz PMJJENGUOUJHBW-BLLLJJGKSA-N 2 2 309.385 2.896 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258260 399310838 /nfs/dbraw/zinc/31/08/38/399310838.db2.gz PWYHQVMZLGYWQB-OAHLLOKOSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000609258260 399310841 /nfs/dbraw/zinc/31/08/41/399310841.db2.gz PWYHQVMZLGYWQB-OAHLLOKOSA-N 2 2 316.361 2.637 20 5 DFBDLP Cn1cc[nH+]c1CC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000105876614 194154227 /nfs/dbraw/zinc/15/42/27/194154227.db2.gz AVOLYULDWWALGT-UHFFFAOYSA-N 2 2 320.418 2.845 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610476550 399370624 /nfs/dbraw/zinc/37/06/24/399370624.db2.gz IOSCRFBDYRKIAH-AWEZNQCLSA-N 2 2 304.325 2.768 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)c(F)c1 ZINC000610476550 399370627 /nfs/dbraw/zinc/37/06/27/399370627.db2.gz IOSCRFBDYRKIAH-AWEZNQCLSA-N 2 2 304.325 2.768 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422721276 296321286 /nfs/dbraw/zinc/32/12/86/296321286.db2.gz UUZVVCGYQXVVHO-HZPDHXFCSA-N 2 2 313.357 2.838 20 5 DFBDLP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602524123 399468025 /nfs/dbraw/zinc/46/80/25/399468025.db2.gz BLKWGEFGJNHDDH-GFCCVEGCSA-N 2 2 318.377 2.558 20 5 DFBDLP CCC[N@H+]1CC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602524123 399468029 /nfs/dbraw/zinc/46/80/29/399468029.db2.gz BLKWGEFGJNHDDH-GFCCVEGCSA-N 2 2 318.377 2.558 20 5 DFBDLP C[N@@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000611521665 399487340 /nfs/dbraw/zinc/48/73/40/399487340.db2.gz WUGCVZDNJVIHEU-AAQZWPSQSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@H+]1CC[C@@H]2CC[NH+](C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000611521665 399487343 /nfs/dbraw/zinc/48/73/43/399487343.db2.gz WUGCVZDNJVIHEU-AAQZWPSQSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@H+](C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000611521665 399487346 /nfs/dbraw/zinc/48/73/46/399487346.db2.gz WUGCVZDNJVIHEU-AAQZWPSQSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@@H]2CC[N@@H+](C/C=C\c3ccccc3[N+](=O)[O-])[C@H]2C1 ZINC000611521665 399487348 /nfs/dbraw/zinc/48/73/48/399487348.db2.gz WUGCVZDNJVIHEU-AAQZWPSQSA-N 2 2 301.390 2.634 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347017330 285005167 /nfs/dbraw/zinc/00/51/67/285005167.db2.gz DJYPIHWGYADTBM-OLZOCXBDSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000347017330 285005169 /nfs/dbraw/zinc/00/51/69/285005169.db2.gz DJYPIHWGYADTBM-OLZOCXBDSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423397083 296412450 /nfs/dbraw/zinc/41/24/50/296412450.db2.gz ULGNZPVOWKIOSG-SGMGOOAPSA-N 2 2 307.394 2.785 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(n2cc[nH+]c2)CC1 ZINC000366641102 131170691 /nfs/dbraw/zinc/17/06/91/131170691.db2.gz OVNXBRTZZLDKCV-UHFFFAOYSA-N 2 2 316.361 2.637 20 5 DFBDLP C[C@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC000261982948 146315121 /nfs/dbraw/zinc/31/51/21/146315121.db2.gz JLUBUUWYMMVRBL-NHYWBVRUSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC000261982948 146315122 /nfs/dbraw/zinc/31/51/22/146315122.db2.gz JLUBUUWYMMVRBL-NHYWBVRUSA-N 2 2 301.346 2.634 20 5 DFBDLP [NH3+][C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262105002 146334369 /nfs/dbraw/zinc/33/43/69/146334369.db2.gz ZOLMTLVMPDRGMX-ZWKOTPCHSA-N 2 2 311.385 2.564 20 5 DFBDLP [NH3+][C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1c1ccccc1 ZINC000262105002 146334370 /nfs/dbraw/zinc/33/43/70/146334370.db2.gz ZOLMTLVMPDRGMX-ZWKOTPCHSA-N 2 2 311.385 2.564 20 5 DFBDLP Cn1c[nH+]cc1C[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000352467190 286381441 /nfs/dbraw/zinc/38/14/41/286381441.db2.gz XNDFNOHWXKHTJW-UHFFFAOYSA-N 2 2 312.329 2.878 20 5 DFBDLP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000150771755 196583803 /nfs/dbraw/zinc/58/38/03/196583803.db2.gz JYUQFXAVHFEMAR-HNNXBMFYSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1[N+](=O)[O-] ZINC000150771755 196583804 /nfs/dbraw/zinc/58/38/04/196583804.db2.gz JYUQFXAVHFEMAR-HNNXBMFYSA-N 2 2 319.405 2.521 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764395 297205140 /nfs/dbraw/zinc/20/51/40/297205140.db2.gz KMITUOPHVHCKRH-QWHCGFSZSA-N 2 2 307.394 2.551 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000037140904 425847287 /nfs/dbraw/zinc/84/72/87/425847287.db2.gz HIZCALMXJNPKJE-UHFFFAOYSA-N 2 2 309.797 2.965 20 5 DFBDLP Cc1[nH+]ccn1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270908989 268233794 /nfs/dbraw/zinc/23/37/94/268233794.db2.gz SQUGECYNMMLBNQ-UHFFFAOYSA-N 2 2 300.362 2.764 20 5 DFBDLP Cc1[nH+]ccn1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000270908989 268233799 /nfs/dbraw/zinc/23/37/99/268233799.db2.gz SQUGECYNMMLBNQ-UHFFFAOYSA-N 2 2 300.362 2.764 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161515528 426027865 /nfs/dbraw/zinc/02/78/65/426027865.db2.gz UDNFMTHHXNLBEM-UHFFFAOYSA-N 2 2 303.406 2.829 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000161515528 426027867 /nfs/dbraw/zinc/02/78/67/426027867.db2.gz UDNFMTHHXNLBEM-UHFFFAOYSA-N 2 2 303.406 2.829 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860757 426087681 /nfs/dbraw/zinc/08/76/81/426087681.db2.gz LUPMTCNCZAQGDJ-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075860757 426087684 /nfs/dbraw/zinc/08/76/84/426087684.db2.gz LUPMTCNCZAQGDJ-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860757 426087686 /nfs/dbraw/zinc/08/76/86/426087686.db2.gz LUPMTCNCZAQGDJ-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075860757 426087690 /nfs/dbraw/zinc/08/76/90/426087690.db2.gz LUPMTCNCZAQGDJ-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP Cc1cccn2c(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)c[nH+]c12 ZINC000174351508 426254413 /nfs/dbraw/zinc/25/44/13/426254413.db2.gz MHNVQAKRXRGGHC-UHFFFAOYSA-N 2 2 310.357 2.883 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150849354 426264381 /nfs/dbraw/zinc/26/43/81/426264381.db2.gz BJQAUWDJPQTAPI-HNNXBMFYSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cccc1[N+](=O)[O-] ZINC000150849354 426264382 /nfs/dbraw/zinc/26/43/82/426264382.db2.gz BJQAUWDJPQTAPI-HNNXBMFYSA-N 2 2 303.406 2.821 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688335 426505980 /nfs/dbraw/zinc/50/59/80/426505980.db2.gz VPGBINCBNHFROG-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000177688335 426505982 /nfs/dbraw/zinc/50/59/82/426505982.db2.gz VPGBINCBNHFROG-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177688335 426505985 /nfs/dbraw/zinc/50/59/85/426505985.db2.gz VPGBINCBNHFROG-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000177688335 426505986 /nfs/dbraw/zinc/50/59/86/426505986.db2.gz VPGBINCBNHFROG-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1[N+](=O)[O-] ZINC000266794328 426779997 /nfs/dbraw/zinc/77/99/97/426779997.db2.gz XTEDUYLSMVMDLR-UHFFFAOYSA-N 2 2 316.361 2.706 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283215703 426976593 /nfs/dbraw/zinc/97/65/93/426976593.db2.gz SJCMSZAACTVJDG-CQSZACIVSA-N 2 2 309.385 2.898 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])c(F)c2)C1 ZINC000283215703 426976596 /nfs/dbraw/zinc/97/65/96/426976596.db2.gz SJCMSZAACTVJDG-CQSZACIVSA-N 2 2 309.385 2.898 20 5 DFBDLP CCOc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292046997 427068305 /nfs/dbraw/zinc/06/83/05/427068305.db2.gz BCBUKMRPNFFZFT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292046997 427068312 /nfs/dbraw/zinc/06/83/12/427068312.db2.gz BCBUKMRPNFFZFT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292046997 427068318 /nfs/dbraw/zinc/06/83/18/427068318.db2.gz BCBUKMRPNFFZFT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1[N+](=O)[O-] ZINC000292046997 427068325 /nfs/dbraw/zinc/06/83/25/427068325.db2.gz BCBUKMRPNFFZFT-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177690551 271183167 /nfs/dbraw/zinc/18/31/67/271183167.db2.gz ARHLBEPRAWMGFM-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000177690551 271183169 /nfs/dbraw/zinc/18/31/69/271183169.db2.gz ARHLBEPRAWMGFM-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000177690551 271183173 /nfs/dbraw/zinc/18/31/73/271183173.db2.gz ARHLBEPRAWMGFM-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000177690551 271183178 /nfs/dbraw/zinc/18/31/78/271183178.db2.gz ARHLBEPRAWMGFM-AWEZNQCLSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252667225 427193620 /nfs/dbraw/zinc/19/36/20/427193620.db2.gz HEYCIGSDQZNAFK-STQMWFEESA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252667225 427193623 /nfs/dbraw/zinc/19/36/23/427193623.db2.gz HEYCIGSDQZNAFK-STQMWFEESA-N 2 2 309.797 2.965 20 5 DFBDLP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+]CCn1cc[nH+]c1 ZINC000271068908 427394756 /nfs/dbraw/zinc/39/47/56/427394756.db2.gz DNLKDSATXXZGFY-ZDUSSCGKSA-N 2 2 320.418 2.952 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH+](CC)CC1 ZINC000349973694 427912162 /nfs/dbraw/zinc/91/21/62/427912162.db2.gz OQQYVSHFACUYIJ-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000349973694 427912170 /nfs/dbraw/zinc/91/21/70/427912170.db2.gz OQQYVSHFACUYIJ-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176662 427980809 /nfs/dbraw/zinc/98/08/09/427980809.db2.gz UWPFHPYHTYWBPR-ZDUSSCGKSA-N 2 2 314.389 2.921 20 5 DFBDLP CC[N@@H+](C)C[C@@H]1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)C1 ZINC000413176662 427980816 /nfs/dbraw/zinc/98/08/16/427980816.db2.gz UWPFHPYHTYWBPR-ZDUSSCGKSA-N 2 2 314.389 2.921 20 5 DFBDLP [NH3+][C@@H]1CCC[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346094132 428017803 /nfs/dbraw/zinc/01/78/03/428017803.db2.gz NJNPHYWGNIUGBS-CYBMUJFWSA-N 2 2 301.346 2.778 20 5 DFBDLP [NH3+][C@@H]1CCC[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1 ZINC000346094132 428017809 /nfs/dbraw/zinc/01/78/09/428017809.db2.gz NJNPHYWGNIUGBS-CYBMUJFWSA-N 2 2 301.346 2.778 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535058 428139872 /nfs/dbraw/zinc/13/98/72/428139872.db2.gz LWYWHGRFMJJCIN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535058 428139875 /nfs/dbraw/zinc/13/98/75/428139875.db2.gz LWYWHGRFMJJCIN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535058 428139879 /nfs/dbraw/zinc/13/98/79/428139879.db2.gz LWYWHGRFMJJCIN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)C[C@@H]1C ZINC000352535058 428139883 /nfs/dbraw/zinc/13/98/83/428139883.db2.gz LWYWHGRFMJJCIN-ZFWWWQNUSA-N 2 2 321.421 2.908 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377825839 428237921 /nfs/dbraw/zinc/23/79/21/428237921.db2.gz GGVPOHDDNPXLTL-AWEZNQCLSA-N 2 2 300.362 2.626 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@H](c3[nH+]ccn3C)C2)cc1[N+](=O)[O-] ZINC000377825839 428237927 /nfs/dbraw/zinc/23/79/27/428237927.db2.gz GGVPOHDDNPXLTL-AWEZNQCLSA-N 2 2 300.362 2.626 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@H+](C)[C@H]1C ZINC000346808859 428327500 /nfs/dbraw/zinc/32/75/00/428327500.db2.gz OGVASHDIQATAFL-IJEWVQPXSA-N 2 2 305.422 2.988 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCC[N@@H+](C)[C@H]1C ZINC000346808859 428327504 /nfs/dbraw/zinc/32/75/04/428327504.db2.gz OGVASHDIQATAFL-IJEWVQPXSA-N 2 2 305.422 2.988 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073758 428434990 /nfs/dbraw/zinc/43/49/90/428434990.db2.gz SLWJHOVUCGKPBM-MZBDJJRSSA-N 2 2 319.405 2.708 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073758 428434995 /nfs/dbraw/zinc/43/49/95/428434995.db2.gz SLWJHOVUCGKPBM-MZBDJJRSSA-N 2 2 319.405 2.708 20 5 DFBDLP COc1ccc(-c2ccc(C[NH2+]CC(C)(C)[NH3+])o2)c([N+](=O)[O-])c1 ZINC000414809227 428418726 /nfs/dbraw/zinc/41/87/26/428418726.db2.gz VDPWYCVNSULDBC-UHFFFAOYSA-N 2 2 319.361 2.690 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1[N+](=O)[O-] ZINC000423361165 429071829 /nfs/dbraw/zinc/07/18/29/429071829.db2.gz MDHQDJZVDHPBRY-SGMGOOAPSA-N 2 2 307.394 2.642 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCCC[NH+]3CCCCC3)c2c1 ZINC000413027334 429125582 /nfs/dbraw/zinc/12/55/82/429125582.db2.gz AOZZUUGXGXGMTN-UHFFFAOYSA-N 2 2 314.389 3.431 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCC[C@H](C)C1 ZINC000449084032 429327051 /nfs/dbraw/zinc/32/70/51/429327051.db2.gz WEMLQXUEVQAHBF-GJZGRUSLSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCC[C@H](C)C1 ZINC000449084032 429327053 /nfs/dbraw/zinc/32/70/53/429327053.db2.gz WEMLQXUEVQAHBF-GJZGRUSLSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000449188008 429352647 /nfs/dbraw/zinc/35/26/47/429352647.db2.gz FLJTXRLAJQKCJH-WOSRLPQWSA-N 2 2 303.406 2.598 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000449188008 429352650 /nfs/dbraw/zinc/35/26/50/429352650.db2.gz FLJTXRLAJQKCJH-WOSRLPQWSA-N 2 2 303.406 2.598 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033062 429484925 /nfs/dbraw/zinc/48/49/25/429484925.db2.gz AKDQBMXLMSFSQO-BBRMVZONSA-N 2 2 319.405 2.566 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428033062 429484929 /nfs/dbraw/zinc/48/49/29/429484929.db2.gz AKDQBMXLMSFSQO-BBRMVZONSA-N 2 2 319.405 2.566 20 5 DFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838325 429530510 /nfs/dbraw/zinc/53/05/10/429530510.db2.gz XKFNRZPSJUMNGM-XFBWCDHKSA-N 2 2 301.390 2.654 20 5 DFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@H]1[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838325 429530514 /nfs/dbraw/zinc/53/05/14/429530514.db2.gz XKFNRZPSJUMNGM-XFBWCDHKSA-N 2 2 301.390 2.654 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000430216308 429662944 /nfs/dbraw/zinc/66/29/44/429662944.db2.gz FDSUEPAJUBDWDY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000430216308 429662946 /nfs/dbraw/zinc/66/29/46/429662946.db2.gz FDSUEPAJUBDWDY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000430216308 429662951 /nfs/dbraw/zinc/66/29/51/429662951.db2.gz FDSUEPAJUBDWDY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000430216308 429662956 /nfs/dbraw/zinc/66/29/56/429662956.db2.gz FDSUEPAJUBDWDY-HNNXBMFYSA-N 2 2 321.421 2.910 20 5 DFBDLP CC(C)c1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357050202 276053277 /nfs/dbraw/zinc/05/32/77/276053277.db2.gz LXJUKARBAVKULU-GJZGRUSLSA-N 2 2 303.406 2.760 20 5 DFBDLP CC(C)c1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000357050202 276053278 /nfs/dbraw/zinc/05/32/78/276053278.db2.gz LXJUKARBAVKULU-GJZGRUSLSA-N 2 2 303.406 2.760 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430546031 429689304 /nfs/dbraw/zinc/68/93/04/429689304.db2.gz CJFGSWHVMUMJMY-ZIAGYGMSSA-N 2 2 321.421 2.941 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430546031 429689308 /nfs/dbraw/zinc/68/93/08/429689308.db2.gz CJFGSWHVMUMJMY-ZIAGYGMSSA-N 2 2 321.421 2.941 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430952297 429728964 /nfs/dbraw/zinc/72/89/64/429728964.db2.gz YQIYRGVOAOGZSA-DOMZBBRYSA-N 2 2 307.394 2.551 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000430952297 429728968 /nfs/dbraw/zinc/72/89/68/429728968.db2.gz YQIYRGVOAOGZSA-DOMZBBRYSA-N 2 2 307.394 2.551 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000588549030 430483306 /nfs/dbraw/zinc/48/33/06/430483306.db2.gz SQHRINRLFCHJNB-UYZDIKGJSA-N 2 2 312.373 2.969 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1 ZINC000588549030 430483313 /nfs/dbraw/zinc/48/33/13/430483313.db2.gz SQHRINRLFCHJNB-UYZDIKGJSA-N 2 2 312.373 2.969 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571326702 430620394 /nfs/dbraw/zinc/62/03/94/430620394.db2.gz KCKBSYHPMLCPLP-GPCFVJJQSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571326702 430620396 /nfs/dbraw/zinc/62/03/96/430620396.db2.gz KCKBSYHPMLCPLP-GPCFVJJQSA-N 2 2 301.390 2.684 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442764395 297205138 /nfs/dbraw/zinc/20/51/38/297205138.db2.gz KMITUOPHVHCKRH-QWHCGFSZSA-N 2 2 307.394 2.551 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155899 302198571 /nfs/dbraw/zinc/19/85/71/302198571.db2.gz GQBHRACIJBNJKV-GFCCVEGCSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2ccc(Cl)cc2[N+](=O)[O-])C1 ZINC000565155899 302198572 /nfs/dbraw/zinc/19/85/72/302198572.db2.gz GQBHRACIJBNJKV-GFCCVEGCSA-N 2 2 320.780 2.971 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592427691 398424988 /nfs/dbraw/zinc/42/49/88/398424988.db2.gz QJDQPXSKQDNMIS-IUODEOHRSA-N 2 2 307.394 2.553 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000592427691 398424992 /nfs/dbraw/zinc/42/49/92/398424992.db2.gz QJDQPXSKQDNMIS-IUODEOHRSA-N 2 2 307.394 2.553 20 5 DFBDLP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950650 398555617 /nfs/dbraw/zinc/55/56/17/398555617.db2.gz GUIFUGKLMRYABV-CABCVRRESA-N 2 2 319.405 2.567 20 5 DFBDLP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1[N+](=O)[O-] ZINC000321950650 398555622 /nfs/dbraw/zinc/55/56/22/398555622.db2.gz GUIFUGKLMRYABV-CABCVRRESA-N 2 2 319.405 2.567 20 5 DFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568255 192292643 /nfs/dbraw/zinc/29/26/43/192292643.db2.gz YOXXAEHMHRBWEQ-OAHLLOKOSA-N 2 2 321.421 2.637 20 5 DFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568255 192292645 /nfs/dbraw/zinc/29/26/45/192292645.db2.gz YOXXAEHMHRBWEQ-OAHLLOKOSA-N 2 2 321.421 2.637 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568255 192292647 /nfs/dbraw/zinc/29/26/47/192292647.db2.gz YOXXAEHMHRBWEQ-OAHLLOKOSA-N 2 2 321.421 2.637 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2[N+](=O)[O-])C1 ZINC000081568255 192292649 /nfs/dbraw/zinc/29/26/49/192292649.db2.gz YOXXAEHMHRBWEQ-OAHLLOKOSA-N 2 2 321.421 2.637 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599071853 398917173 /nfs/dbraw/zinc/91/71/73/398917173.db2.gz UULAXZRYFYXYFA-KBPBESRZSA-N 2 2 321.421 2.986 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000599071853 398917174 /nfs/dbraw/zinc/91/71/74/398917174.db2.gz UULAXZRYFYXYFA-KBPBESRZSA-N 2 2 321.421 2.986 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342503 398924370 /nfs/dbraw/zinc/92/43/70/398924370.db2.gz LOIWTBXAPXVDSX-HNNXBMFYSA-N 2 2 318.352 2.903 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(F)cc1[N+](=O)[O-] ZINC000595342503 398924371 /nfs/dbraw/zinc/92/43/71/398924371.db2.gz LOIWTBXAPXVDSX-HNNXBMFYSA-N 2 2 318.352 2.903 20 5 DFBDLP C[N@H+](Cc1ccc(F)cc1[N+](=O)[O-])C[C@@H]1CCn2cc[nH+]c2C1 ZINC000595466739 398944471 /nfs/dbraw/zinc/94/44/71/398944471.db2.gz RYAHMHPSWHJEFD-GFCCVEGCSA-N 2 2 318.352 2.625 20 5 DFBDLP Cc1ccc2[nH+]cc(C[NH2+]CCc3ccc([N+](=O)[O-])cc3)n2c1 ZINC000156528471 398950473 /nfs/dbraw/zinc/95/04/73/398950473.db2.gz YTBLZYQTQWVAOQ-UHFFFAOYSA-N 2 2 310.357 2.883 20 5 DFBDLP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000193295711 201023610 /nfs/dbraw/zinc/02/36/10/201023610.db2.gz XHZCXFUFPZKVLP-YHWZYXNKSA-N 2 2 309.797 2.963 20 5 DFBDLP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1ccc([N+](=O)[O-])cc1Cl)C2 ZINC000193295711 201023612 /nfs/dbraw/zinc/02/36/12/201023612.db2.gz XHZCXFUFPZKVLP-YHWZYXNKSA-N 2 2 309.797 2.963 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H]2CC)cc1[N+](=O)[O-] ZINC000600705813 399120144 /nfs/dbraw/zinc/12/01/44/399120144.db2.gz AUJPLSSZIUCGEC-FPMFFAJLSA-N 2 2 307.394 2.785 20 5 DFBDLP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600725304 399125309 /nfs/dbraw/zinc/12/53/09/399125309.db2.gz ISSMOKNGXCRGQV-NWDGAFQWSA-N 2 2 317.311 2.554 20 5 DFBDLP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2[N+](=O)[O-])CC[C@H]1C(F)(F)F ZINC000600725304 399125315 /nfs/dbraw/zinc/12/53/15/399125315.db2.gz ISSMOKNGXCRGQV-NWDGAFQWSA-N 2 2 317.311 2.554 20 5 DFBDLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139576 399239188 /nfs/dbraw/zinc/23/91/88/399239188.db2.gz GDOWCLUAUADNRT-YVEFUNNKSA-N 2 2 312.373 2.673 20 5 DFBDLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@@H]2C1 ZINC000601139576 399239193 /nfs/dbraw/zinc/23/91/93/399239193.db2.gz GDOWCLUAUADNRT-YVEFUNNKSA-N 2 2 312.373 2.673 20 5 DFBDLP C[N@@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139574 399239249 /nfs/dbraw/zinc/23/92/49/399239249.db2.gz GDOWCLUAUADNRT-SJCJKPOMSA-N 2 2 312.373 2.673 20 5 DFBDLP C[N@H+]1CC[C@H]2CCN(c3cc[nH+]c4ccc([N+](=O)[O-])cc43)[C@H]2C1 ZINC000601139574 399239250 /nfs/dbraw/zinc/23/92/50/399239250.db2.gz GDOWCLUAUADNRT-SJCJKPOMSA-N 2 2 312.373 2.673 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000111158488 194397456 /nfs/dbraw/zinc/39/74/56/194397456.db2.gz HEYCIGSDQZNAFK-QWHCGFSZSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000111158488 194397458 /nfs/dbraw/zinc/39/74/58/194397458.db2.gz HEYCIGSDQZNAFK-QWHCGFSZSA-N 2 2 309.797 2.965 20 5 DFBDLP C[C@@H](C[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1)C[NH+]1CCCC1 ZINC000602519385 399466619 /nfs/dbraw/zinc/46/66/19/399466619.db2.gz XWZLBKZXIRHCMJ-LBPRGKRZSA-N 2 2 318.377 2.558 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]CCCNc2cccc[nH+]2)cc1 ZINC000602591308 399486012 /nfs/dbraw/zinc/48/60/12/399486012.db2.gz YUWOYVRLPGXQAR-UHFFFAOYSA-N 2 2 300.362 2.624 20 5 DFBDLP CC[N@H+](CCC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602665225 399510019 /nfs/dbraw/zinc/51/00/19/399510019.db2.gz ZWCNIDTZSBBDOU-UHFFFAOYSA-N 2 2 306.366 2.510 20 5 DFBDLP CC[N@@H+](CCC[NH+](C)C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602665225 399510022 /nfs/dbraw/zinc/51/00/22/399510022.db2.gz ZWCNIDTZSBBDOU-UHFFFAOYSA-N 2 2 306.366 2.510 20 5 DFBDLP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668059 399511678 /nfs/dbraw/zinc/51/16/78/399511678.db2.gz SIDMOAGHQBMQJS-RISCZKNCSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668059 399511679 /nfs/dbraw/zinc/51/16/79/399511679.db2.gz SIDMOAGHQBMQJS-RISCZKNCSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668059 399511684 /nfs/dbraw/zinc/51/16/84/399511684.db2.gz SIDMOAGHQBMQJS-RISCZKNCSA-N 2 2 318.377 2.508 20 5 DFBDLP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602668059 399511688 /nfs/dbraw/zinc/51/16/88/399511688.db2.gz SIDMOAGHQBMQJS-RISCZKNCSA-N 2 2 318.377 2.508 20 5 DFBDLP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1[N+](=O)[O-] ZINC000422935856 296357439 /nfs/dbraw/zinc/35/74/39/296357439.db2.gz ASPRUZVHJVYPOH-HUUCEWRRSA-N 2 2 313.357 2.838 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000602723467 399539818 /nfs/dbraw/zinc/53/98/18/399539818.db2.gz BIHCPTCAXDUKPN-KRWDZBQOSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+]C[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000602723467 399539822 /nfs/dbraw/zinc/53/98/22/399539822.db2.gz BIHCPTCAXDUKPN-KRWDZBQOSA-N 2 2 303.406 2.744 20 5 DFBDLP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423082737 296376468 /nfs/dbraw/zinc/37/64/68/296376468.db2.gz FVSGLVKZEJSEON-ZANVPECISA-N 2 2 317.311 2.844 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156429061 197112998 /nfs/dbraw/zinc/11/29/98/197112998.db2.gz DLKIFTVUOXZLHM-BBRMVZONSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@@H]1n1cc[nH+]c1 ZINC000156429061 197113000 /nfs/dbraw/zinc/11/30/00/197113000.db2.gz DLKIFTVUOXZLHM-BBRMVZONSA-N 2 2 300.362 2.874 20 5 DFBDLP CCC[C@@H]([NH2+]C[C@@]1(COC)CCC[NH2+]1)c1cccc([N+](=O)[O-])c1 ZINC000423437922 296416735 /nfs/dbraw/zinc/41/67/35/296416735.db2.gz UPACERXIWOKQBA-IAGOWNOFSA-N 2 2 321.421 2.794 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292850553 533219092 /nfs/dbraw/zinc/21/90/92/533219092.db2.gz BTNCGJFVYXSRQW-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292850553 533219096 /nfs/dbraw/zinc/21/90/96/533219096.db2.gz BTNCGJFVYXSRQW-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292850553 533219103 /nfs/dbraw/zinc/21/91/03/533219103.db2.gz BTNCGJFVYXSRQW-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292850553 533219110 /nfs/dbraw/zinc/21/91/10/533219110.db2.gz BTNCGJFVYXSRQW-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)cc1 ZINC000374199883 150320688 /nfs/dbraw/zinc/32/06/88/150320688.db2.gz MHUMPKQFLQKZJI-UHFFFAOYSA-N 2 2 300.362 2.740 20 5 DFBDLP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909341 286242183 /nfs/dbraw/zinc/24/21/83/286242183.db2.gz UCZRSJILVALEMM-MRXNPFEDSA-N 2 2 303.406 2.827 20 5 DFBDLP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909341 286242185 /nfs/dbraw/zinc/24/21/85/286242185.db2.gz UCZRSJILVALEMM-MRXNPFEDSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909341 286242186 /nfs/dbraw/zinc/24/21/86/286242186.db2.gz UCZRSJILVALEMM-MRXNPFEDSA-N 2 2 303.406 2.827 20 5 DFBDLP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000351909341 286242188 /nfs/dbraw/zinc/24/21/88/286242188.db2.gz UCZRSJILVALEMM-MRXNPFEDSA-N 2 2 303.406 2.827 20 5 DFBDLP C[C@H]1CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247029263 158113514 /nfs/dbraw/zinc/11/35/14/158113514.db2.gz DLKIFTVUOXZLHM-XJKSGUPXSA-N 2 2 300.362 2.874 20 5 DFBDLP C[C@H]1CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C[C@H]1n1cc[nH+]c1 ZINC000247029263 158113517 /nfs/dbraw/zinc/11/35/17/158113517.db2.gz DLKIFTVUOXZLHM-XJKSGUPXSA-N 2 2 300.362 2.874 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1 ZINC000072074857 426009379 /nfs/dbraw/zinc/00/93/79/426009379.db2.gz FMPSACUQSWIAIA-ZDUSSCGKSA-N 2 2 318.377 2.616 20 5 DFBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367838 426097177 /nfs/dbraw/zinc/09/71/77/426097177.db2.gz NGOKILNRHDJJRN-GOEBONIOSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1C ZINC000163367838 426097178 /nfs/dbraw/zinc/09/71/78/426097178.db2.gz NGOKILNRHDJJRN-GOEBONIOSA-N 2 2 321.421 2.665 20 5 DFBDLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1[N+](=O)[O-] ZINC000096157077 426402215 /nfs/dbraw/zinc/40/22/15/426402215.db2.gz YPLRDGJDFNIVFY-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1[N+](=O)[O-] ZINC000096157077 426402220 /nfs/dbraw/zinc/40/22/20/426402220.db2.gz YPLRDGJDFNIVFY-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000096157077 426402224 /nfs/dbraw/zinc/40/22/24/426402224.db2.gz YPLRDGJDFNIVFY-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1[N+](=O)[O-] ZINC000096157077 426402228 /nfs/dbraw/zinc/40/22/28/426402228.db2.gz YPLRDGJDFNIVFY-KRWDZBQOSA-N 2 2 303.406 2.821 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123774914 426452404 /nfs/dbraw/zinc/45/24/04/426452404.db2.gz MHWKPFWGSIDKBG-OAHLLOKOSA-N 2 2 314.389 2.783 20 5 DFBDLP Cn1cc[nH+]c1C[C@H]1CCC[N@@H+](Cc2cccc([N+](=O)[O-])c2)C1 ZINC000123774914 426452405 /nfs/dbraw/zinc/45/24/05/426452405.db2.gz MHWKPFWGSIDKBG-OAHLLOKOSA-N 2 2 314.389 2.783 20 5 DFBDLP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469693 /nfs/dbraw/zinc/46/96/93/426469693.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP CC[N@H+]1CC[C@H]2CC[C@@H](C1)[NH+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469695 /nfs/dbraw/zinc/46/96/95/426469695.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469698 /nfs/dbraw/zinc/46/96/98/426469698.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP CC[NH+]1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000177336418 426469701 /nfs/dbraw/zinc/46/97/01/426469701.db2.gz XLYSJKYLVAPPEQ-ZBFHGGJFSA-N 2 2 319.405 2.532 20 5 DFBDLP C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCn1cc[nH+]c1 ZINC000290557728 426792472 /nfs/dbraw/zinc/79/24/72/426792472.db2.gz SEUSSRDZZSIKPN-QPJJXVBHSA-N 2 2 300.362 2.827 20 5 DFBDLP C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])CCCn1cc[nH+]c1 ZINC000290557728 426792475 /nfs/dbraw/zinc/79/24/75/426792475.db2.gz SEUSSRDZZSIKPN-QPJJXVBHSA-N 2 2 300.362 2.827 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247009 426983253 /nfs/dbraw/zinc/98/32/53/426983253.db2.gz VBEGFULHGZDRPL-ZFWWWQNUSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247009 426983254 /nfs/dbraw/zinc/98/32/54/426983254.db2.gz VBEGFULHGZDRPL-ZFWWWQNUSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247009 426983260 /nfs/dbraw/zinc/98/32/60/426983260.db2.gz VBEGFULHGZDRPL-ZFWWWQNUSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])c(F)c3)CC[C@@H]21 ZINC000283247009 426983264 /nfs/dbraw/zinc/98/32/64/426983264.db2.gz VBEGFULHGZDRPL-ZFWWWQNUSA-N 2 2 307.369 2.650 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293607 426991894 /nfs/dbraw/zinc/99/18/94/426991894.db2.gz YBBVGFAIVUEIDU-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293607 426991898 /nfs/dbraw/zinc/99/18/98/426991898.db2.gz YBBVGFAIVUEIDU-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293607 426991903 /nfs/dbraw/zinc/99/19/03/426991903.db2.gz YBBVGFAIVUEIDU-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])c(F)c2)[C@H](C)C1 ZINC000283293607 426991909 /nfs/dbraw/zinc/99/19/09/426991909.db2.gz YBBVGFAIVUEIDU-DOMZBBRYSA-N 2 2 309.385 2.896 20 5 DFBDLP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532410 271076735 /nfs/dbraw/zinc/07/67/35/271076735.db2.gz AGSKZFSZIPVWLW-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532410 271076738 /nfs/dbraw/zinc/07/67/38/271076738.db2.gz AGSKZFSZIPVWLW-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532410 271076740 /nfs/dbraw/zinc/07/67/40/271076740.db2.gz AGSKZFSZIPVWLW-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)CC[C@@H]21 ZINC000158532410 271076742 /nfs/dbraw/zinc/07/67/42/271076742.db2.gz AGSKZFSZIPVWLW-CJNGLKHVSA-N 2 2 307.369 2.650 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000178335910 271192667 /nfs/dbraw/zinc/19/26/67/271192667.db2.gz IJZKENAWNPMQOF-ZDUSSCGKSA-N 2 2 318.352 2.903 20 5 DFBDLP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1c(F)cccc1[N+](=O)[O-] ZINC000178335910 271192674 /nfs/dbraw/zinc/19/26/74/271192674.db2.gz IJZKENAWNPMQOF-ZDUSSCGKSA-N 2 2 318.352 2.903 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252667224 427192297 /nfs/dbraw/zinc/19/22/97/427192297.db2.gz HEYCIGSDQZNAFK-OLZOCXBDSA-N 2 2 309.797 2.965 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252667224 427192300 /nfs/dbraw/zinc/19/23/00/427192300.db2.gz HEYCIGSDQZNAFK-OLZOCXBDSA-N 2 2 309.797 2.965 20 5 DFBDLP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1[N+](=O)[O-] ZINC000285495276 427249763 /nfs/dbraw/zinc/24/97/63/427249763.db2.gz MJDNPJLEZXMQMD-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1[N+](=O)[O-] ZINC000285495276 427249768 /nfs/dbraw/zinc/24/97/68/427249768.db2.gz MJDNPJLEZXMQMD-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000285495276 427249773 /nfs/dbraw/zinc/24/97/73/427249773.db2.gz MJDNPJLEZXMQMD-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000285495276 427249779 /nfs/dbraw/zinc/24/97/79/427249779.db2.gz MJDNPJLEZXMQMD-YIONKMFJSA-N 2 2 319.405 2.660 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285800029 427341853 /nfs/dbraw/zinc/34/18/53/427341853.db2.gz YPIZVLQYJGGKJC-UHFFFAOYSA-N 2 2 324.331 2.900 20 5 DFBDLP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(F)cc([N+](=O)[O-])cc1F ZINC000285800029 427341859 /nfs/dbraw/zinc/34/18/59/427341859.db2.gz YPIZVLQYJGGKJC-UHFFFAOYSA-N 2 2 324.331 2.900 20 5 DFBDLP CC(C)[N@H+](CCc1c[nH+]cn1C)Cc1ccc([N+](=O)[O-])cc1 ZINC000297298763 427391952 /nfs/dbraw/zinc/39/19/52/427391952.db2.gz BDNMCIJWKGHLDR-UHFFFAOYSA-N 2 2 302.378 2.781 20 5 DFBDLP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+][C@H]1CCn2cc[nH+]c2C1 ZINC000344820020 272374920 /nfs/dbraw/zinc/37/49/20/272374920.db2.gz WJLGMZFBULLMJZ-CTXBLAANSA-N 2 2 312.373 2.799 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000295094093 427688084 /nfs/dbraw/zinc/68/80/84/427688084.db2.gz UDARMIRGAPSXHL-GOOCMWNKSA-N 2 2 319.405 2.708 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295094093 427688090 /nfs/dbraw/zinc/68/80/90/427688090.db2.gz UDARMIRGAPSXHL-GOOCMWNKSA-N 2 2 319.405 2.708 20 5 DFBDLP COc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000339432746 427773632 /nfs/dbraw/zinc/77/36/32/427773632.db2.gz LRLNMQFOIOWERP-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)ccc1[N+](=O)[O-] ZINC000339432746 427773633 /nfs/dbraw/zinc/77/36/33/427773633.db2.gz LRLNMQFOIOWERP-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)ccc1[N+](=O)[O-] ZINC000339432746 427773635 /nfs/dbraw/zinc/77/36/35/427773635.db2.gz LRLNMQFOIOWERP-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)ccc1[N+](=O)[O-] ZINC000339432746 427773637 /nfs/dbraw/zinc/77/36/37/427773637.db2.gz LRLNMQFOIOWERP-KRWDZBQOSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000370210125 428158079 /nfs/dbraw/zinc/15/80/79/428158079.db2.gz NTSTZQLOVRPXKV-AWEZNQCLSA-N 2 2 319.405 2.521 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000370210125 428158084 /nfs/dbraw/zinc/15/80/84/428158084.db2.gz NTSTZQLOVRPXKV-AWEZNQCLSA-N 2 2 319.405 2.521 20 5 DFBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@@H+]2CCC[NH2+]CC2)o1 ZINC000346639719 428251589 /nfs/dbraw/zinc/25/15/89/428251589.db2.gz JUUXSNPUDYSGDK-UHFFFAOYSA-N 2 2 301.346 2.650 20 5 DFBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[N@H+]2CCC[NH2+]CC2)o1 ZINC000346639719 428251594 /nfs/dbraw/zinc/25/15/94/428251594.db2.gz JUUXSNPUDYSGDK-UHFFFAOYSA-N 2 2 301.346 2.650 20 5 DFBDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769595 428398991 /nfs/dbraw/zinc/39/89/91/428398991.db2.gz MJYRWZJFVNLAID-IAQYHMDHSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769595 428398996 /nfs/dbraw/zinc/39/89/96/428398996.db2.gz MJYRWZJFVNLAID-IAQYHMDHSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414925435 428461137 /nfs/dbraw/zinc/46/11/37/428461137.db2.gz JPHAQEAIOUWESG-WFASDCNBSA-N 2 2 315.373 2.942 20 5 DFBDLP [NH3+]C[C@@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414799585 428415844 /nfs/dbraw/zinc/41/58/44/428415844.db2.gz KDDCKZPGFJKING-CQSZACIVSA-N 2 2 301.346 2.682 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1[N+](=O)[O-] ZINC000423361162 429071973 /nfs/dbraw/zinc/07/19/73/429071973.db2.gz MDHQDJZVDHPBRY-DYEKYZERSA-N 2 2 307.394 2.642 20 5 DFBDLP [NH3+][C@H]1CC[N@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369920 429133503 /nfs/dbraw/zinc/13/35/03/429133503.db2.gz GRHHPPGWZFYBFA-NSHDSACASA-N 2 2 303.387 2.856 20 5 DFBDLP [NH3+][C@H]1CC[N@@H+](Cc2ccc(-c3ccccc3[N+](=O)[O-])s2)C1 ZINC000435369920 429133508 /nfs/dbraw/zinc/13/35/08/429133508.db2.gz GRHHPPGWZFYBFA-NSHDSACASA-N 2 2 303.387 2.856 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000366618326 429488683 /nfs/dbraw/zinc/48/86/83/429488683.db2.gz DTPGBMMLNUDJSN-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000366618326 429488687 /nfs/dbraw/zinc/48/86/87/429488687.db2.gz DTPGBMMLNUDJSN-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000366618326 429488689 /nfs/dbraw/zinc/48/86/89/429488689.db2.gz DTPGBMMLNUDJSN-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000366618326 429488692 /nfs/dbraw/zinc/48/86/92/429488692.db2.gz DTPGBMMLNUDJSN-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430546028 429689619 /nfs/dbraw/zinc/68/96/19/429689619.db2.gz CJFGSWHVMUMJMY-KBPBESRZSA-N 2 2 321.421 2.941 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430546028 429689623 /nfs/dbraw/zinc/68/96/23/429689623.db2.gz CJFGSWHVMUMJMY-KBPBESRZSA-N 2 2 321.421 2.941 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571326704 430621138 /nfs/dbraw/zinc/62/11/38/430621138.db2.gz KCKBSYHPMLCPLP-ZNNBYXKUSA-N 2 2 301.390 2.684 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C/C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571326704 430621140 /nfs/dbraw/zinc/62/11/40/430621140.db2.gz KCKBSYHPMLCPLP-ZNNBYXKUSA-N 2 2 301.390 2.684 20 5 DFBDLP C[C@@H](C[NH+](C)C)[NH2+][C@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000554095617 430628255 /nfs/dbraw/zinc/62/82/55/430628255.db2.gz RLSCJIZVQQPVQU-DZKIICNBSA-N 2 2 305.422 2.846 20 5 DFBDLP C[C@@H]1CC[N@H+](CC[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)C1 ZINC000571507157 430633139 /nfs/dbraw/zinc/63/31/39/430633139.db2.gz SCIUIHRQAGFLAV-DYVFJYSZSA-N 2 2 303.406 2.904 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[NH+]1CCC(C)CC1 ZINC000449083148 297402648 /nfs/dbraw/zinc/40/26/48/297402648.db2.gz SCKYZSRNRSLTEX-HNNXBMFYSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CC[C@@H](C)C1 ZINC000531984760 301123774 /nfs/dbraw/zinc/12/37/74/301123774.db2.gz ZSMMQVCFUTZEEL-HUUCEWRRSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CC[C@@H](C)C1 ZINC000531984760 301123777 /nfs/dbraw/zinc/12/37/77/301123777.db2.gz ZSMMQVCFUTZEEL-HUUCEWRRSA-N 2 2 305.422 2.847 20 5 DFBDLP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCN(c2[nH]cc[nH+]2)CC1 ZINC000570231901 302563127 /nfs/dbraw/zinc/56/31/27/302563127.db2.gz IUJFDFWDQJVNCU-ZDUSSCGKSA-N 2 2 315.377 2.510 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000575134269 318066060 /nfs/dbraw/zinc/06/60/60/318066060.db2.gz TVQMHLSIUKYRQP-LLVKDONJSA-N 2 2 320.780 2.971 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2[N+](=O)[O-])C1 ZINC000575134269 318066062 /nfs/dbraw/zinc/06/60/62/318066062.db2.gz TVQMHLSIUKYRQP-LLVKDONJSA-N 2 2 320.780 2.971 20 5 DFBDLP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635992 398364969 /nfs/dbraw/zinc/36/49/69/398364969.db2.gz QLLBSJCAWUZWNO-HNNXBMFYSA-N 2 2 303.406 2.759 20 5 DFBDLP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635992 398364974 /nfs/dbraw/zinc/36/49/74/398364974.db2.gz QLLBSJCAWUZWNO-HNNXBMFYSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635992 398364977 /nfs/dbraw/zinc/36/49/77/398364977.db2.gz QLLBSJCAWUZWNO-HNNXBMFYSA-N 2 2 303.406 2.759 20 5 DFBDLP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2[N+](=O)[O-])C1 ZINC000081635992 398364981 /nfs/dbraw/zinc/36/49/81/398364981.db2.gz QLLBSJCAWUZWNO-HNNXBMFYSA-N 2 2 303.406 2.759 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584830450 398418244 /nfs/dbraw/zinc/41/82/44/398418244.db2.gz RLPJSBVPEWJNSY-IAGOWNOFSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000584830450 398418249 /nfs/dbraw/zinc/41/82/49/398418249.db2.gz RLPJSBVPEWJNSY-IAGOWNOFSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478622 398431647 /nfs/dbraw/zinc/43/16/47/398431647.db2.gz GGHHLGXQVGDLMY-SWLSCSKDSA-N 2 2 307.369 2.698 20 5 DFBDLP O=[N+]([O-])c1cccc(F)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000592478622 398431649 /nfs/dbraw/zinc/43/16/49/398431649.db2.gz GGHHLGXQVGDLMY-SWLSCSKDSA-N 2 2 307.369 2.698 20 5 DFBDLP Cc1[nH+]cc(C[N@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000596980233 398540732 /nfs/dbraw/zinc/54/07/32/398540732.db2.gz XCRGYGSUCLUYEG-UHFFFAOYSA-N 2 2 300.362 2.801 20 5 DFBDLP Cc1[nH+]cc(C[N@@H+](Cc2cccc([N+](=O)[O-])c2)C2CC2)n1C ZINC000596980233 398540736 /nfs/dbraw/zinc/54/07/36/398540736.db2.gz XCRGYGSUCLUYEG-UHFFFAOYSA-N 2 2 300.362 2.801 20 5 DFBDLP C[NH+](C)CCCC1CC[NH+](Cc2cc(O)ccc2[N+](=O)[O-])CC1 ZINC000093688323 398643780 /nfs/dbraw/zinc/64/37/80/398643780.db2.gz FIVOPARCHCLMIK-UHFFFAOYSA-N 2 2 321.421 2.854 20 5 DFBDLP C[C@H]1CC[NH2+]C[C@H]1[NH2+]Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000414940090 295837866 /nfs/dbraw/zinc/83/78/66/295837866.db2.gz XEXBLYIMAUACFF-BLLLJJGKSA-N 2 2 315.373 2.942 20 5 DFBDLP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+]Cc1c[nH+]c2n1CCC2 ZINC000594945504 398879275 /nfs/dbraw/zinc/87/92/75/398879275.db2.gz ZGMLFIUHABLLRP-UHFFFAOYSA-N 2 2 320.780 2.723 20 5 DFBDLP C[NH+](C)[C@@H](CNc1ccc2c[nH+]ccc2c1[N+](=O)[O-])C1CC1 ZINC000599037797 398911172 /nfs/dbraw/zinc/91/11/72/398911172.db2.gz DSHBGHFPDFITRL-HNNXBMFYSA-N 2 2 300.362 2.895 20 5 DFBDLP C[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599087530 398919713 /nfs/dbraw/zinc/91/97/13/398919713.db2.gz JEWMKUNOZHOSRI-BHYGNILZSA-N 2 2 317.433 2.990 20 5 DFBDLP C[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1[N+](=O)[O-] ZINC000599087530 398919717 /nfs/dbraw/zinc/91/97/17/398919717.db2.gz JEWMKUNOZHOSRI-BHYGNILZSA-N 2 2 317.433 2.990 20 5 DFBDLP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343941 398924858 /nfs/dbraw/zinc/92/48/58/398924858.db2.gz ILHKNHMGNDZQIM-CYBMUJFWSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343941 398924861 /nfs/dbraw/zinc/92/48/61/398924861.db2.gz ILHKNHMGNDZQIM-CYBMUJFWSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343941 398924864 /nfs/dbraw/zinc/92/48/64/398924864.db2.gz ILHKNHMGNDZQIM-CYBMUJFWSA-N 2 2 309.385 2.898 20 5 DFBDLP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(F)cc2[N+](=O)[O-])C1 ZINC000595343941 398924867 /nfs/dbraw/zinc/92/48/67/398924867.db2.gz ILHKNHMGNDZQIM-CYBMUJFWSA-N 2 2 309.385 2.898 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456466 206080460 /nfs/dbraw/zinc/08/04/60/206080460.db2.gz PMJJENGUOUJHBW-WBMJQRKESA-N 2 2 309.385 2.896 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456466 206080467 /nfs/dbraw/zinc/08/04/67/206080467.db2.gz PMJJENGUOUJHBW-WBMJQRKESA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456466 206080472 /nfs/dbraw/zinc/08/04/72/206080472.db2.gz PMJJENGUOUJHBW-WBMJQRKESA-N 2 2 309.385 2.896 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2F)[C@H](C)C1 ZINC000267456466 206080475 /nfs/dbraw/zinc/08/04/75/206080475.db2.gz PMJJENGUOUJHBW-WBMJQRKESA-N 2 2 309.385 2.896 20 5 DFBDLP O=[N+]([O-])c1ccc2[nH+]ccc(NCCCCn3cc[nH+]c3)c2c1 ZINC000601137318 399238791 /nfs/dbraw/zinc/23/87/91/399238791.db2.gz AWGAUHPYRDGTGW-UHFFFAOYSA-N 2 2 311.345 2.654 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792356 194284435 /nfs/dbraw/zinc/28/44/35/194284435.db2.gz IYQGCKOFMZWDJN-UHFFFAOYSA-N 2 2 300.362 2.671 20 5 DFBDLP C[NH+](C)CCC[NH2+]Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-] ZINC000602506894 399463425 /nfs/dbraw/zinc/46/34/25/399463425.db2.gz XHAWDYHSGKLZFK-UHFFFAOYSA-N 2 2 305.300 2.655 20 5 DFBDLP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602525824 399468047 /nfs/dbraw/zinc/46/80/47/399468047.db2.gz SFFADZOQUIRKTR-GFCCVEGCSA-N 2 2 318.377 2.558 20 5 DFBDLP CC[N@H+]1CCC[C@H](C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000602525824 399468050 /nfs/dbraw/zinc/46/80/50/399468050.db2.gz SFFADZOQUIRKTR-GFCCVEGCSA-N 2 2 318.377 2.558 20 5 DFBDLP COc1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000611515534 399485872 /nfs/dbraw/zinc/48/58/72/399485872.db2.gz CWQVYUOGDKTJFA-AWEZNQCLSA-N 2 2 316.361 2.637 20 5 DFBDLP COc1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)ccc1[N+](=O)[O-] ZINC000611515534 399485875 /nfs/dbraw/zinc/48/58/75/399485875.db2.gz CWQVYUOGDKTJFA-AWEZNQCLSA-N 2 2 316.361 2.637 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000602707190 399531326 /nfs/dbraw/zinc/53/13/26/399531326.db2.gz DNQSYVHTGRKQJR-IRXDYDNUSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000602707190 399531330 /nfs/dbraw/zinc/53/13/30/399531330.db2.gz DNQSYVHTGRKQJR-IRXDYDNUSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1cccc([C@H]([NH2+]C[C@H]2CC[NH2+]C2)c2ccccc2)c1 ZINC000423349531 296407461 /nfs/dbraw/zinc/40/74/61/296407461.db2.gz VYSNHFTXXOJIHX-KBXCAEBGSA-N 2 2 311.385 2.883 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1[N+](=O)[O-] ZINC000423545865 296428437 /nfs/dbraw/zinc/42/84/37/296428437.db2.gz DWNWFBAUHHGIKN-TZMCWYRMSA-N 2 2 307.394 2.786 20 5 DFBDLP Cc1cc[nH+]c(N2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)c1 ZINC000165964265 145233072 /nfs/dbraw/zinc/23/30/72/145233072.db2.gz HRBMOBXIJIOIJZ-UHFFFAOYSA-N 2 2 312.373 2.620 20 5 DFBDLP C[C@@H]1C[N@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC000261982945 146315893 /nfs/dbraw/zinc/31/58/93/146315893.db2.gz JLUBUUWYMMVRBL-ABAIWWIYSA-N 2 2 301.346 2.634 20 5 DFBDLP C[C@@H]1C[N@@H+](Cc2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@@H]1[NH3+] ZINC000261982945 146315896 /nfs/dbraw/zinc/31/58/96/146315896.db2.gz JLUBUUWYMMVRBL-ABAIWWIYSA-N 2 2 301.346 2.634 20 5 DFBDLP O=[N+]([O-])c1cccc(OCC[NH+]2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000374197351 150320926 /nfs/dbraw/zinc/32/09/26/150320926.db2.gz CKRMELMGLIDMCZ-UHFFFAOYSA-N 2 2 316.361 2.576 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076004865 426093543 /nfs/dbraw/zinc/09/35/43/426093543.db2.gz IOQZYBJPFDVDJO-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076004865 426093546 /nfs/dbraw/zinc/09/35/46/426093546.db2.gz IOQZYBJPFDVDJO-OAHLLOKOSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095792 426220770 /nfs/dbraw/zinc/22/07/70/426220770.db2.gz MCFIHFFWUABDSY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095792 426220772 /nfs/dbraw/zinc/22/07/72/426220772.db2.gz MCFIHFFWUABDSY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095792 426220773 /nfs/dbraw/zinc/22/07/73/426220773.db2.gz MCFIHFFWUABDSY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@H](C)C1 ZINC000081095792 426220775 /nfs/dbraw/zinc/22/07/75/426220775.db2.gz MCFIHFFWUABDSY-CJNGLKHVSA-N 2 2 321.421 2.766 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000175258759 426292698 /nfs/dbraw/zinc/29/26/98/426292698.db2.gz NGURTVPDHFNKMK-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000175258759 426292701 /nfs/dbraw/zinc/29/27/01/426292701.db2.gz NGURTVPDHFNKMK-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000175258759 426292703 /nfs/dbraw/zinc/29/27/03/426292703.db2.gz NGURTVPDHFNKMK-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000175258759 426292706 /nfs/dbraw/zinc/29/27/06/426292706.db2.gz NGURTVPDHFNKMK-CQSZACIVSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CCCn1cc[nH+]c1)C1CC1 ZINC000151112765 426278700 /nfs/dbraw/zinc/27/87/00/426278700.db2.gz HYRZKTUGIXNRQT-MRXNPFEDSA-N 2 2 314.389 2.792 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123299027 426424969 /nfs/dbraw/zinc/42/49/69/426424969.db2.gz DIDZDWUJYSNJDN-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000123299027 426424972 /nfs/dbraw/zinc/42/49/72/426424972.db2.gz DIDZDWUJYSNJDN-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123299027 426424975 /nfs/dbraw/zinc/42/49/75/426424975.db2.gz DIDZDWUJYSNJDN-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123299027 426424978 /nfs/dbraw/zinc/42/49/78/426424978.db2.gz DIDZDWUJYSNJDN-OCCSQVGLSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641399 426444503 /nfs/dbraw/zinc/44/45/03/426444503.db2.gz BWPHVXBJYIZXOQ-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000123641399 426444506 /nfs/dbraw/zinc/44/45/06/426444506.db2.gz BWPHVXBJYIZXOQ-GXTWGEPZSA-N 2 2 307.394 2.518 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000266693153 426762436 /nfs/dbraw/zinc/76/24/36/426762436.db2.gz AZIQZTHTNVZSSU-UHFFFAOYSA-N 2 2 316.361 2.576 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337870999 427010964 /nfs/dbraw/zinc/01/09/64/427010964.db2.gz NRBLGOSLSWYOEV-GJZGRUSLSA-N 2 2 319.405 2.710 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337870999 427010968 /nfs/dbraw/zinc/01/09/68/427010968.db2.gz NRBLGOSLSWYOEV-GJZGRUSLSA-N 2 2 319.405 2.710 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1F ZINC000276286976 427027980 /nfs/dbraw/zinc/02/79/80/427027980.db2.gz GZPMUVLGWCQGFY-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1F ZINC000276288150 427028335 /nfs/dbraw/zinc/02/83/35/427028335.db2.gz HGYJQVSCCMZFRP-UHFFFAOYSA-N 2 2 304.325 2.768 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000330671057 427287215 /nfs/dbraw/zinc/28/72/15/427287215.db2.gz MJYOJMIOWKQFMH-GXTWGEPZSA-N 2 2 307.394 2.566 20 5 DFBDLP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000330671057 427287220 /nfs/dbraw/zinc/28/72/20/427287220.db2.gz MJYOJMIOWKQFMH-GXTWGEPZSA-N 2 2 307.394 2.566 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[NH2+]Cc1c[nH+]c2n1CCCC2 ZINC000376767755 427995955 /nfs/dbraw/zinc/99/59/55/427995955.db2.gz KKPZHELDCCAZEO-UHFFFAOYSA-N 2 2 300.362 2.726 20 5 DFBDLP CCC[NH+]1CCC([N@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352545118 428145411 /nfs/dbraw/zinc/14/54/11/428145411.db2.gz GASBMMFJCIQHCB-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP CCC[NH+]1CCC([N@@H+](C)Cc2ccc([N+](=O)[O-])c(OC)c2)CC1 ZINC000352545118 428145417 /nfs/dbraw/zinc/14/54/17/428145417.db2.gz GASBMMFJCIQHCB-UHFFFAOYSA-N 2 2 321.421 2.910 20 5 DFBDLP Cc1c(C[N@@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000346488552 428192020 /nfs/dbraw/zinc/19/20/20/428192020.db2.gz NOHDLAQKBLWSTF-INIZCTEOSA-N 2 2 313.357 2.952 20 5 DFBDLP Cc1c(C[N@H+]2CC[C@H](Oc3cc[nH+]cc3)C2)cccc1[N+](=O)[O-] ZINC000346488552 428192022 /nfs/dbraw/zinc/19/20/22/428192022.db2.gz NOHDLAQKBLWSTF-INIZCTEOSA-N 2 2 313.357 2.952 20 5 DFBDLP CC[C@H]([NH2+]Cc1c[nH+]c(N(C)C)n1C)c1cccc([N+](=O)[O-])c1 ZINC000414361230 428270749 /nfs/dbraw/zinc/27/07/49/428270749.db2.gz HSJDNYHVSKKVOX-HNNXBMFYSA-N 2 2 317.393 2.635 20 5 DFBDLP Cc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1[N+](=O)[O-] ZINC000414885097 428444119 /nfs/dbraw/zinc/44/41/19/428444119.db2.gz VHBKOQRKQSHDFK-UHFFFAOYSA-N 2 2 314.389 2.568 20 5 DFBDLP [NH3+]C[C@H]([NH2+]Cc1ccc(-c2ccccc2[N+](=O)[O-])o1)C1CC1 ZINC000414799583 428415302 /nfs/dbraw/zinc/41/53/02/428415302.db2.gz KDDCKZPGFJKING-AWEZNQCLSA-N 2 2 301.346 2.682 20 5 DFBDLP [NH3+]C[C@@H]([NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1)C1CC1 ZINC000414802260 428416932 /nfs/dbraw/zinc/41/69/32/428416932.db2.gz MQITWTUUCJUBBN-CQSZACIVSA-N 2 2 318.402 2.545 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363661499 428962212 /nfs/dbraw/zinc/96/22/12/428962212.db2.gz RQAJLDAWTYIXLZ-UNEWFSDZSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363661499 428962215 /nfs/dbraw/zinc/96/22/15/428962215.db2.gz RQAJLDAWTYIXLZ-UNEWFSDZSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363661499 428962217 /nfs/dbraw/zinc/96/22/17/428962217.db2.gz RQAJLDAWTYIXLZ-UNEWFSDZSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(F)cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363661499 428962222 /nfs/dbraw/zinc/96/22/22/428962222.db2.gz RQAJLDAWTYIXLZ-UNEWFSDZSA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]c[nH]c3C1)CCC2 ZINC000368102956 275038471 /nfs/dbraw/zinc/03/84/71/275038471.db2.gz RAQBZRXJFOAUQX-IUODEOHRSA-N 2 2 312.373 2.842 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]c[nH+]c3C1)CCC2 ZINC000368102956 275038472 /nfs/dbraw/zinc/03/84/72/275038472.db2.gz RAQBZRXJFOAUQX-IUODEOHRSA-N 2 2 312.373 2.842 20 5 DFBDLP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@]1([NH+](C)C)CCSC1 ZINC000449178778 429350000 /nfs/dbraw/zinc/35/00/00/429350000.db2.gz UPKKEVYGBLLJBX-BBRMVZONSA-N 2 2 323.462 2.553 20 5 DFBDLP CC(C)[N@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194637 429355045 /nfs/dbraw/zinc/35/50/45/429355045.db2.gz VAURTIBPDHEAAS-SQWLQELKSA-N 2 2 305.422 2.844 20 5 DFBDLP CC(C)[N@@H+]1C[C@H](C)[C@H]([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])C1 ZINC000449194637 429355051 /nfs/dbraw/zinc/35/50/51/429355051.db2.gz VAURTIBPDHEAAS-SQWLQELKSA-N 2 2 305.422 2.844 20 5 DFBDLP CC1=CC[N@H+](CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449241526 429365348 /nfs/dbraw/zinc/36/53/48/429365348.db2.gz BOHLRGOBABSXRA-HNNXBMFYSA-N 2 2 303.406 2.767 20 5 DFBDLP CC1=CC[N@@H+](CC[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449241526 429365353 /nfs/dbraw/zinc/36/53/53/429365353.db2.gz BOHLRGOBABSXRA-HNNXBMFYSA-N 2 2 303.406 2.767 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243987 429667146 /nfs/dbraw/zinc/66/71/46/429667146.db2.gz NGPZXLITABSPLM-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243987 429667150 /nfs/dbraw/zinc/66/71/50/429667150.db2.gz NGPZXLITABSPLM-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243987 429667154 /nfs/dbraw/zinc/66/71/54/429667154.db2.gz NGPZXLITABSPLM-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc([N+](=O)[O-])cc2OC)C[C@H]1C ZINC000430243987 429667158 /nfs/dbraw/zinc/66/71/58/429667158.db2.gz NGPZXLITABSPLM-HIFRSBDPSA-N 2 2 321.421 2.908 20 5 DFBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369271 523830237 /nfs/dbraw/zinc/83/02/37/523830237.db2.gz IILNBVHTTGZNDL-LSDHHAIUSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1C ZINC000163369271 523830241 /nfs/dbraw/zinc/83/02/41/523830241.db2.gz IILNBVHTTGZNDL-LSDHHAIUSA-N 2 2 321.421 2.665 20 5 DFBDLP O=[N+]([O-])c1ccccc1/C=C\C[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000592438327 398425573 /nfs/dbraw/zinc/42/55/73/398425573.db2.gz KVDJDNAHLZATLW-GMNBZTITSA-N 2 2 301.390 2.872 20 5 DFBDLP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834881 530065498 /nfs/dbraw/zinc/06/54/98/530065498.db2.gz ATVCSYLXCIRSJZ-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834881 530065499 /nfs/dbraw/zinc/06/54/99/530065499.db2.gz ATVCSYLXCIRSJZ-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834881 530065500 /nfs/dbraw/zinc/06/55/00/530065500.db2.gz ATVCSYLXCIRSJZ-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834881 530065501 /nfs/dbraw/zinc/06/55/01/530065501.db2.gz ATVCSYLXCIRSJZ-INIZCTEOSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834883 530059726 /nfs/dbraw/zinc/05/97/26/530059726.db2.gz ATVCSYLXCIRSJZ-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834883 530059727 /nfs/dbraw/zinc/05/97/27/530059727.db2.gz ATVCSYLXCIRSJZ-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834883 530059728 /nfs/dbraw/zinc/05/97/28/530059728.db2.gz ATVCSYLXCIRSJZ-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc([N+](=O)[O-])cc3F)C2)C1 ZINC000292834883 530059729 /nfs/dbraw/zinc/05/97/29/530059729.db2.gz ATVCSYLXCIRSJZ-MRXNPFEDSA-N 2 2 307.369 2.652 20 5 DFBDLP C[N@@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689097 210095510 /nfs/dbraw/zinc/09/55/10/210095510.db2.gz WUGCVZDNJVIHEU-BWTRYIQHSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@H+]1CC[C@H]2CC[NH+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689097 210095514 /nfs/dbraw/zinc/09/55/14/210095514.db2.gz WUGCVZDNJVIHEU-BWTRYIQHSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@H]2CC[N@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689097 210095519 /nfs/dbraw/zinc/09/55/19/210095519.db2.gz WUGCVZDNJVIHEU-BWTRYIQHSA-N 2 2 301.390 2.634 20 5 DFBDLP C[NH+]1CC[C@H]2CC[N@@H+](C/C=C/c3ccccc3[N+](=O)[O-])[C@@H]2C1 ZINC000272689097 210095522 /nfs/dbraw/zinc/09/55/22/210095522.db2.gz WUGCVZDNJVIHEU-BWTRYIQHSA-N 2 2 301.390 2.634 20 5 DFBDLP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206497 398538146 /nfs/dbraw/zinc/53/81/46/398538146.db2.gz OVHDIQGNISMXBA-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206497 398538148 /nfs/dbraw/zinc/53/81/48/398538148.db2.gz OVHDIQGNISMXBA-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206497 398538151 /nfs/dbraw/zinc/53/81/51/398538151.db2.gz OVHDIQGNISMXBA-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc([N+](=O)[O-])cc2F)C1 ZINC000589206497 398538153 /nfs/dbraw/zinc/53/81/53/398538153.db2.gz OVHDIQGNISMXBA-BBRMVZONSA-N 2 2 307.369 2.650 20 5 DFBDLP Cc1ccc(C[N@@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000093865877 398647682 /nfs/dbraw/zinc/64/76/82/398647682.db2.gz KJSWIQYVHBDIAR-MRXNPFEDSA-N 2 2 313.357 2.952 20 5 DFBDLP Cc1ccc(C[N@H+]2CC[C@@H](Oc3cc[nH+]cc3)C2)cc1[N+](=O)[O-] ZINC000093865877 398647686 /nfs/dbraw/zinc/64/76/86/398647686.db2.gz KJSWIQYVHBDIAR-MRXNPFEDSA-N 2 2 313.357 2.952 20 5 DFBDLP O=[N+]([O-])c1ccccc1-c1ccc(C[NH2+]C[C@@H]2CCC[NH2+]2)o1 ZINC000414854410 295826485 /nfs/dbraw/zinc/82/64/85/295826485.db2.gz ZJIAJVUFUCGQNS-LBPRGKRZSA-N 2 2 301.346 2.696 20 5 DFBDLP [NH3+][C@@H](C[NH2+]Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1)C1CC1 ZINC000414889191 295830802 /nfs/dbraw/zinc/83/08/02/295830802.db2.gz GAIGGDQRFVFXJE-HNNXBMFYSA-N 2 2 301.346 2.682 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c(F)c1 ZINC000332483496 235019848 /nfs/dbraw/zinc/01/98/48/235019848.db2.gz XLTWKFFPLZTQTC-UHFFFAOYSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000179650171 199070476 /nfs/dbraw/zinc/07/04/76/199070476.db2.gz IIPKLZMPQLZCTL-UHFFFAOYSA-N 2 2 300.362 2.846 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+](CCCn2cc[nH+]c2)C2CC2)cc1 ZINC000179650171 199070478 /nfs/dbraw/zinc/07/04/78/199070478.db2.gz IIPKLZMPQLZCTL-UHFFFAOYSA-N 2 2 300.362 2.846 20 5 DFBDLP O=[N+]([O-])c1cccc(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)c1 ZINC000594738068 398852355 /nfs/dbraw/zinc/85/23/55/398852355.db2.gz FCLPMHFWSZLTLM-QZTJIDSGSA-N 2 2 311.385 2.830 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000595004433 398889265 /nfs/dbraw/zinc/88/92/65/398889265.db2.gz RLIDLCHVZVZVHE-ZDUSSCGKSA-N 2 2 309.410 2.984 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000595004433 398889268 /nfs/dbraw/zinc/88/92/68/398889268.db2.gz RLIDLCHVZVZVHE-ZDUSSCGKSA-N 2 2 309.410 2.984 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000595015977 398892497 /nfs/dbraw/zinc/89/24/97/398892497.db2.gz FRXKYJPOWWSUBW-OLZOCXBDSA-N 2 2 307.394 2.596 20 5 DFBDLP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000595015977 398892500 /nfs/dbraw/zinc/89/25/00/398892500.db2.gz FRXKYJPOWWSUBW-OLZOCXBDSA-N 2 2 307.394 2.596 20 5 DFBDLP C[NH+]1CCC(CNc2ccc3c[nH+]ccc3c2[N+](=O)[O-])CC1 ZINC000599043179 398912144 /nfs/dbraw/zinc/91/21/44/398912144.db2.gz VXAVNNNENIXMSC-UHFFFAOYSA-N 2 2 300.362 2.897 20 5 DFBDLP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344411 398925005 /nfs/dbraw/zinc/92/50/05/398925005.db2.gz DQKTWLCGVAOKOV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344411 398925006 /nfs/dbraw/zinc/92/50/06/398925006.db2.gz DQKTWLCGVAOKOV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344411 398925007 /nfs/dbraw/zinc/92/50/07/398925007.db2.gz DQKTWLCGVAOKOV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(F)cc3[N+](=O)[O-])CC[C@H]21 ZINC000595344411 398925008 /nfs/dbraw/zinc/92/50/08/398925008.db2.gz DQKTWLCGVAOKOV-SWLSCSKDSA-N 2 2 307.369 2.650 20 5 DFBDLP Cc1noc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429069 398936839 /nfs/dbraw/zinc/93/68/39/398936839.db2.gz BGYCWKJQXLPLSP-DGCLKSJQSA-N 2 2 322.409 2.634 20 5 DFBDLP Cc1noc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1[N+](=O)[O-] ZINC000595429069 398936840 /nfs/dbraw/zinc/93/68/40/398936840.db2.gz BGYCWKJQXLPLSP-DGCLKSJQSA-N 2 2 322.409 2.634 20 5 DFBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000600776874 399141924 /nfs/dbraw/zinc/14/19/24/399141924.db2.gz YAWNQNWCMQRTHY-VWEWPCDYSA-N 2 2 301.390 2.539 20 5 DFBDLP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](C/C=C/c1ccccc1[N+](=O)[O-])C2 ZINC000600776874 399141931 /nfs/dbraw/zinc/14/19/31/399141931.db2.gz YAWNQNWCMQRTHY-VWEWPCDYSA-N 2 2 301.390 2.539 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400529 296186407 /nfs/dbraw/zinc/18/64/07/296186407.db2.gz IPCCJGFIMRNHAL-UKRRQHHQSA-N 2 2 321.421 2.799 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420400529 296186408 /nfs/dbraw/zinc/18/64/08/296186408.db2.gz IPCCJGFIMRNHAL-UKRRQHHQSA-N 2 2 321.421 2.799 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267458838 206081485 /nfs/dbraw/zinc/08/14/85/206081485.db2.gz UHYSPTKJHXZZAW-GFCCVEGCSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000267458838 206081488 /nfs/dbraw/zinc/08/14/88/206081488.db2.gz UHYSPTKJHXZZAW-GFCCVEGCSA-N 2 2 304.325 2.837 20 5 DFBDLP O=[N+]([O-])c1ccc(OCC[NH+]2CCC(n3cc[nH+]c3)CC2)cc1 ZINC000109792387 194284904 /nfs/dbraw/zinc/28/49/04/194284904.db2.gz BTRQXSQMAWJDOA-UHFFFAOYSA-N 2 2 316.361 2.507 20 5 DFBDLP COc1ccc(C[NH+]2CCC(n3cc[nH+]c3)CC2)cc1[N+](=O)[O-] ZINC000109792362 194284991 /nfs/dbraw/zinc/28/49/91/194284991.db2.gz ZFNVXYPKWUKXEZ-UHFFFAOYSA-N 2 2 316.361 2.637 20 5 DFBDLP Cc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611268068 399454511 /nfs/dbraw/zinc/45/45/11/399454511.db2.gz CQILZCDZRIXVNA-HNNXBMFYSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3)C2)cc1[N+](=O)[O-] ZINC000611268068 399454514 /nfs/dbraw/zinc/45/45/14/399454514.db2.gz CQILZCDZRIXVNA-HNNXBMFYSA-N 2 2 300.362 2.937 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611270257 399454683 /nfs/dbraw/zinc/45/46/83/399454683.db2.gz CZXMBGUFVHBLDV-AWEZNQCLSA-N 2 2 316.361 2.642 20 5 DFBDLP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cc(O)ccc2[N+](=O)[O-])C1 ZINC000611270257 399454686 /nfs/dbraw/zinc/45/46/86/399454686.db2.gz CZXMBGUFVHBLDV-AWEZNQCLSA-N 2 2 316.361 2.642 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000602707189 399531675 /nfs/dbraw/zinc/53/16/75/399531675.db2.gz DNQSYVHTGRKQJR-IAGOWNOFSA-N 2 2 303.406 2.744 20 5 DFBDLP O=[N+]([O-])c1ccc(CC[NH2+][C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000602707189 399531678 /nfs/dbraw/zinc/53/16/78/399531678.db2.gz DNQSYVHTGRKQJR-IAGOWNOFSA-N 2 2 303.406 2.744 20 5 DFBDLP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC000423090208 296377174 /nfs/dbraw/zinc/37/71/74/296377174.db2.gz UWYMRLVBGGAFDR-NWDGAFQWSA-N 2 2 303.284 2.583 20 5 DFBDLP CCc1ccc([C@H]([NH2+]CCC[NH3+])c2ccc([N+](=O)[O-])cc2)o1 ZINC000423181081 296388890 /nfs/dbraw/zinc/38/88/90/296388890.db2.gz FIHMWBQZYMREAC-MRXNPFEDSA-N 2 2 303.362 2.778 20 5 DFBDLP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1CCC[C@H](n2cc[nH+]c2)C1 ZINC000612578176 399680228 /nfs/dbraw/zinc/68/02/28/399680228.db2.gz ASKZBEPDHFXERE-INIZCTEOSA-N 2 2 300.362 2.937 20 5 DFBDLP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427699 146069493 /nfs/dbraw/zinc/06/94/93/146069493.db2.gz MCFIHFFWUABDSY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427699 146069495 /nfs/dbraw/zinc/06/94/95/146069495.db2.gz MCFIHFFWUABDSY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427699 146069497 /nfs/dbraw/zinc/06/94/97/146069497.db2.gz MCFIHFFWUABDSY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc([N+](=O)[O-])ccc2OC)[C@@H](C)C1 ZINC000245427699 146069498 /nfs/dbraw/zinc/06/94/98/146069498.db2.gz MCFIHFFWUABDSY-BBRMVZONSA-N 2 2 321.421 2.766 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1CCn2cc[nH+]c2C1 ZINC000427862213 296670597 /nfs/dbraw/zinc/67/05/97/296670597.db2.gz VLFOGKYEJTVRNF-UKRRQHHQSA-N 2 2 314.389 2.717 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247998285 158156296 /nfs/dbraw/zinc/15/62/96/158156296.db2.gz KCOLMTCCXLFQSB-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247998285 158156298 /nfs/dbraw/zinc/15/62/98/158156298.db2.gz KCOLMTCCXLFQSB-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247998285 158156301 /nfs/dbraw/zinc/15/63/01/158156301.db2.gz KCOLMTCCXLFQSB-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247998285 158156304 /nfs/dbraw/zinc/15/63/04/158156304.db2.gz KCOLMTCCXLFQSB-CZUORRHYSA-N 2 2 319.405 2.520 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000037649005 425848890 /nfs/dbraw/zinc/84/88/90/425848890.db2.gz RKWPCQMNWOVIKN-NSHDSACASA-N 2 2 309.797 2.822 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000037649005 425848891 /nfs/dbraw/zinc/84/88/91/425848891.db2.gz RKWPCQMNWOVIKN-NSHDSACASA-N 2 2 309.797 2.822 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076004863 426093851 /nfs/dbraw/zinc/09/38/51/426093851.db2.gz IOQZYBJPFDVDJO-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c([N+](=O)[O-])c2)C1 ZINC000076004863 426093853 /nfs/dbraw/zinc/09/38/53/426093853.db2.gz IOQZYBJPFDVDJO-HNNXBMFYSA-N 2 2 321.421 2.767 20 5 DFBDLP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC[NH+]1CCCCC1)C1CC1 ZINC000128219166 426106787 /nfs/dbraw/zinc/10/67/87/426106787.db2.gz UYXYGGUZTZAYKQ-KRWDZBQOSA-N 2 2 317.433 2.991 20 5 DFBDLP CC[NH+](CC)CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000152772057 426353003 /nfs/dbraw/zinc/35/30/03/426353003.db2.gz CHSFKMZSGNBTNL-MRXNPFEDSA-N 2 2 305.422 2.847 20 5 DFBDLP Cn1c[nH+]cc1CC[N@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000297571665 271360299 /nfs/dbraw/zinc/36/02/99/271360299.db2.gz CYLXIKKXCUBANB-UHFFFAOYSA-N 2 2 300.362 2.535 20 5 DFBDLP Cn1c[nH+]cc1CC[N@@H+](Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000297571665 271360301 /nfs/dbraw/zinc/36/03/01/271360301.db2.gz CYLXIKKXCUBANB-UHFFFAOYSA-N 2 2 300.362 2.535 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000285374893 427214833 /nfs/dbraw/zinc/21/48/33/427214833.db2.gz CGNBREAOHJIIFV-SNVBAGLBSA-N 2 2 322.315 2.976 20 5 DFBDLP O=[N+]([O-])c1cc(F)c(C[N@H+]2CCC[C@@H](c3[nH]cc[nH+]3)C2)c(F)c1 ZINC000285374893 427214839 /nfs/dbraw/zinc/21/48/39/427214839.db2.gz CGNBREAOHJIIFV-SNVBAGLBSA-N 2 2 322.315 2.976 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263694783 427545018 /nfs/dbraw/zinc/54/50/18/427545018.db2.gz KIPWHGRQLLCFGB-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP COc1ccc([N+](=O)[O-])cc1C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000263694783 427545021 /nfs/dbraw/zinc/54/50/21/427545021.db2.gz KIPWHGRQLLCFGB-UHFFFAOYSA-N 2 2 321.421 2.908 20 5 DFBDLP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]CCCn1cc[nH+]c1)CCC2 ZINC000192591431 427568571 /nfs/dbraw/zinc/56/85/71/427568571.db2.gz OKKHKBZDRADKCV-MRXNPFEDSA-N 2 2 300.362 2.849 20 5 DFBDLP Cc1c(C[NH2+]Cc2ncc(C[NH+](C)C)s2)cccc1[N+](=O)[O-] ZINC000352698760 428209186 /nfs/dbraw/zinc/20/91/86/428209186.db2.gz XKPNMUFOEXQMTG-UHFFFAOYSA-N 2 2 320.418 2.711 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)c1 ZINC000377778557 428225308 /nfs/dbraw/zinc/22/53/08/428225308.db2.gz KFVFRRDXQZEZIG-SNVBAGLBSA-N 2 2 306.753 2.618 20 5 DFBDLP O=[N+]([O-])c1ccc(Cl)c(C[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)c1 ZINC000377778557 428225315 /nfs/dbraw/zinc/22/53/15/428225315.db2.gz KFVFRRDXQZEZIG-SNVBAGLBSA-N 2 2 306.753 2.618 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342740 428262355 /nfs/dbraw/zinc/26/23/55/428262355.db2.gz MSZGMGSPOGSBBX-OCCSQVGLSA-N 2 2 307.394 2.738 20 5 DFBDLP CCOc1ccc([C@@H](C)[NH2+][C@H]2CC[N@@H+](CC)C2)cc1[N+](=O)[O-] ZINC000414342740 428262357 /nfs/dbraw/zinc/26/23/57/428262357.db2.gz MSZGMGSPOGSBBX-OCCSQVGLSA-N 2 2 307.394 2.738 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360560623 428347895 /nfs/dbraw/zinc/34/78/95/428347895.db2.gz GFDNWDCUAPHYAR-QGZVFWFLSA-N 2 2 319.405 2.567 20 5 DFBDLP CC(C)Oc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360560623 428347902 /nfs/dbraw/zinc/34/79/02/428347902.db2.gz GFDNWDCUAPHYAR-QGZVFWFLSA-N 2 2 319.405 2.567 20 5 DFBDLP C[C@@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765944 428397888 /nfs/dbraw/zinc/39/78/88/428397888.db2.gz GSABIACGGYCOMN-BXUZGUMPSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000414765944 428397894 /nfs/dbraw/zinc/39/78/94/428397894.db2.gz GSABIACGGYCOMN-BXUZGUMPSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@H]([NH3+])CC[N@@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769597 428398957 /nfs/dbraw/zinc/39/89/57/428398957.db2.gz MJYRWZJFVNLAID-XHDPSFHLSA-N 2 2 301.346 2.776 20 5 DFBDLP C[C@H]1[C@H]([NH3+])CC[N@H+]1Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000414769597 428398961 /nfs/dbraw/zinc/39/89/61/428398961.db2.gz MJYRWZJFVNLAID-XHDPSFHLSA-N 2 2 301.346 2.776 20 5 DFBDLP [NH3+]C1(C[NH2+]Cc2ccc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000414881816 428443161 /nfs/dbraw/zinc/44/31/61/428443161.db2.gz LEWSHKGSSPXICI-UHFFFAOYSA-N 2 2 301.346 2.826 20 5 DFBDLP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C/C=C\c1ccccc1[N+](=O)[O-] ZINC000414920887 428457440 /nfs/dbraw/zinc/45/74/40/428457440.db2.gz AKMFVMURPXJJJX-KQQSKNTNSA-N 2 2 303.406 2.976 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000374774117 428747194 /nfs/dbraw/zinc/74/71/94/428747194.db2.gz AHPSXOSUUFPBCI-FMKPAKJESA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000374774117 428747199 /nfs/dbraw/zinc/74/71/99/428747199.db2.gz AHPSXOSUUFPBCI-FMKPAKJESA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000374774117 428747200 /nfs/dbraw/zinc/74/72/00/428747200.db2.gz AHPSXOSUUFPBCI-FMKPAKJESA-N 2 2 319.380 2.650 20 5 DFBDLP O=[N+]([O-])c1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1F ZINC000374774117 428747206 /nfs/dbraw/zinc/74/72/06/428747206.db2.gz AHPSXOSUUFPBCI-FMKPAKJESA-N 2 2 319.380 2.650 20 5 DFBDLP CCOc1ccc([C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1[N+](=O)[O-] ZINC000423397080 429078638 /nfs/dbraw/zinc/07/86/38/429078638.db2.gz ULGNZPVOWKIOSG-OBJOEFQTSA-N 2 2 307.394 2.785 20 5 DFBDLP C[NH+](C)C1CCN(c2[nH+]ccc3ccc([N+](=O)[O-])cc32)CC1 ZINC000413093062 429135465 /nfs/dbraw/zinc/13/54/65/429135465.db2.gz NIEBFNRADCCBER-UHFFFAOYSA-N 2 2 300.362 2.673 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@@H+]1CCC[C@@H](C)C1 ZINC000449084033 429327207 /nfs/dbraw/zinc/32/72/07/429327207.db2.gz WEMLQXUEVQAHBF-HUUCEWRRSA-N 2 2 305.422 2.847 20 5 DFBDLP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC[N@H+]1CCC[C@@H](C)C1 ZINC000449084033 429327209 /nfs/dbraw/zinc/32/72/09/429327209.db2.gz WEMLQXUEVQAHBF-HUUCEWRRSA-N 2 2 305.422 2.847 20 5 DFBDLP O=[N+]([O-])c1ccc2cc[nH+]c(NCCCCn3cc[nH+]c3)c2c1 ZINC000518722131 429431931 /nfs/dbraw/zinc/43/19/31/429431931.db2.gz TUBDLRIRCCDKOZ-UHFFFAOYSA-N 2 2 311.345 3.232 20 5 DFBDLP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838323 429530374 /nfs/dbraw/zinc/53/03/74/429530374.db2.gz XKFNRZPSJUMNGM-LYRGGWFBSA-N 2 2 301.390 2.654 20 5 DFBDLP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000520838323 429530378 /nfs/dbraw/zinc/53/03/78/429530378.db2.gz XKFNRZPSJUMNGM-LYRGGWFBSA-N 2 2 301.390 2.654 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995505 429762835 /nfs/dbraw/zinc/76/28/35/429762835.db2.gz NBKRIYLXYGSDCQ-AAEUAGOBSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000367995505 429762839 /nfs/dbraw/zinc/76/28/39/429762839.db2.gz NBKRIYLXYGSDCQ-AAEUAGOBSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]c[nH]c3C2)cc1[N+](=O)[O-] ZINC000367995506 429763144 /nfs/dbraw/zinc/76/31/44/429763144.db2.gz NBKRIYLXYGSDCQ-DGCLKSJQSA-N 2 2 300.362 2.834 20 5 DFBDLP Cc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]c[nH+]c3C2)cc1[N+](=O)[O-] ZINC000367995506 429763148 /nfs/dbraw/zinc/76/31/48/429763148.db2.gz NBKRIYLXYGSDCQ-DGCLKSJQSA-N 2 2 300.362 2.834 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH+]c[nH]c2C1 ZINC000368104953 429788175 /nfs/dbraw/zinc/78/81/75/429788175.db2.gz MCIWBJIZMVOIBK-OCCSQVGLSA-N 2 2 314.389 2.786 20 5 DFBDLP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+][C@H]1CCc2[nH]c[nH+]c2C1 ZINC000368104953 429788179 /nfs/dbraw/zinc/78/81/79/429788179.db2.gz MCIWBJIZMVOIBK-OCCSQVGLSA-N 2 2 314.389 2.786 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH+]c[nH]c2C1 ZINC000558492637 429975446 /nfs/dbraw/zinc/97/54/46/429975446.db2.gz DNBILEOQOFFCQZ-WEKMIXOTSA-N 2 2 312.373 2.868 20 5 DFBDLP CC(=Cc1cccc([N+](=O)[O-])c1)C[NH2+][C@@H]1CCc2[nH]c[nH+]c2C1 ZINC000558492637 429975449 /nfs/dbraw/zinc/97/54/49/429975449.db2.gz DNBILEOQOFFCQZ-WEKMIXOTSA-N 2 2 312.373 2.868 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000557329193 429937596 /nfs/dbraw/zinc/93/75/96/429937596.db2.gz GAQHDGLLLYRGOV-HUUCEWRRSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000557329193 429937603 /nfs/dbraw/zinc/93/76/03/429937603.db2.gz GAQHDGLLLYRGOV-HUUCEWRRSA-N 2 2 319.405 2.580 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000580465410 323390723 /nfs/dbraw/zinc/39/07/23/323390723.db2.gz HPNJKMSTCCBXFR-ZMSDIMECSA-N 2 2 301.390 2.799 20 5 DFBDLP O=[N+]([O-])c1cccc2c1CC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000580465410 323390724 /nfs/dbraw/zinc/39/07/24/323390724.db2.gz HPNJKMSTCCBXFR-ZMSDIMECSA-N 2 2 301.390 2.799 20 5 DFBDLP COCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347470 523829785 /nfs/dbraw/zinc/82/97/85/523829785.db2.gz KFLSDKKNQAFSAX-GDBMZVCRSA-N 2 2 321.421 2.665 20 5 DFBDLP COCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(C)c([N+](=O)[O-])c1 ZINC000163347470 523829787 /nfs/dbraw/zinc/82/97/87/523829787.db2.gz KFLSDKKNQAFSAX-GDBMZVCRSA-N 2 2 321.421 2.665 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000365648510 527459905 /nfs/dbraw/zinc/45/99/05/527459905.db2.gz JRMHCUCSZWFVDL-GFCCVEGCSA-N 2 2 306.391 2.769 20 5 DFBDLP Cn1cc[nH+]c1[C@@H]1CCC[N@@H+](Cc2csc([N+](=O)[O-])c2)C1 ZINC000365648510 527459912 /nfs/dbraw/zinc/45/99/12/527459912.db2.gz JRMHCUCSZWFVDL-GFCCVEGCSA-N 2 2 306.391 2.769 20 5 DFBDLP