smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296608 786892271 /nfs/dbraw/zinc/89/22/71/786892271.db2.gz GIWSQFCOJRLZHX-ZIAGYGMSSA-N 2 1 321.421 2.466 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001158682422 798449542 /nfs/dbraw/zinc/44/95/42/798449542.db2.gz DPXAMKSENIAPRX-CDVVCGDMSA-N 2 1 319.409 2.087 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001165076352 799646425 /nfs/dbraw/zinc/64/64/25/799646425.db2.gz HUQUFSSRLOYATI-RCQQVGEISA-N 2 1 319.409 2.053 20 5 DEBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001165076351 799646621 /nfs/dbraw/zinc/64/66/21/799646621.db2.gz HUQUFSSRLOYATI-LEJCZOIISA-N 2 1 319.409 2.053 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001658175765 1080200345 /nfs/dbraw/zinc/20/03/45/1080200345.db2.gz QFYYDXZMKIQENY-MGPQQGTHSA-N 2 1 305.378 2.033 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@@H]23)cc1[N+](=O)[O-] ZINC001658175765 1080200352 /nfs/dbraw/zinc/20/03/52/1080200352.db2.gz QFYYDXZMKIQENY-MGPQQGTHSA-N 2 1 305.378 2.033 20 5 DEBDMP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254547789 1143245005 /nfs/dbraw/zinc/24/50/05/1143245005.db2.gz WZDLHWRWVOKBFK-AWEZNQCLSA-N 2 1 321.421 2.356 20 5 DEBDMP CC[NH+]1CCC([N@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600458 1143274575 /nfs/dbraw/zinc/27/45/75/1143274575.db2.gz PWWGQVSZNXAGRM-KRWDZBQOSA-N 2 1 303.406 2.478 20 5 DEBDMP CC[NH+]1CCC([N@@H+](C)[C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600458 1143274586 /nfs/dbraw/zinc/27/45/86/1143274586.db2.gz PWWGQVSZNXAGRM-KRWDZBQOSA-N 2 1 303.406 2.478 20 5 DEBDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173391521 198210413 /nfs/dbraw/zinc/21/04/13/198210413.db2.gz RQFPPAPAGCREFL-OAHLLOKOSA-N 2 1 320.437 2.273 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315374 358053139 /nfs/dbraw/zinc/05/31/39/358053139.db2.gz IZKROUMLSFMGHE-UXLLHSPISA-N 2 1 319.405 2.313 20 5 DEBDMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602519085 360414563 /nfs/dbraw/zinc/41/45/63/360414563.db2.gz VIVADFMHBPBFLX-CYBMUJFWSA-N 2 1 321.421 2.481 20 5 DEBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248183241 145149847 /nfs/dbraw/zinc/14/98/47/145149847.db2.gz WVRZMDCXBROBBG-PBHICJAKSA-N 2 1 321.421 2.482 20 5 DEBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000565158441 292138467 /nfs/dbraw/zinc/13/84/67/292138467.db2.gz UNWBXQGPXTXDQA-WCQYABFASA-N 2 1 320.393 2.043 20 5 DEBDMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158173 403250297 /nfs/dbraw/zinc/25/02/97/403250297.db2.gz PRUBWDDFHZOSLH-NEPJUHHUSA-N 2 1 304.394 2.312 20 5 DEBDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccc([N+](=O)[O-])cc2)s1 ZINC000352749683 404593563 /nfs/dbraw/zinc/59/35/63/404593563.db2.gz NVNHVNZNPMCJGH-UHFFFAOYSA-N 2 1 320.418 2.445 20 5 DEBDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813863 404740003 /nfs/dbraw/zinc/74/00/03/404740003.db2.gz NADJDCRIWBKCHM-OCCSQVGLSA-N 2 1 322.409 2.419 20 5 DEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321585 405318789 /nfs/dbraw/zinc/31/87/89/405318789.db2.gz CXTFXKZKVNQPPJ-HZPDHXFCSA-N 2 1 303.406 2.459 20 5 DEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420324107 405319115 /nfs/dbraw/zinc/31/91/15/405319115.db2.gz ZACMYVZRYDBIHV-ZDUSSCGKSA-N 2 1 320.393 2.127 20 5 DEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000425977550 405333430 /nfs/dbraw/zinc/33/34/30/405333430.db2.gz LPUZVOVGCAYTGL-GBNFQVFUSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425977550 405333432 /nfs/dbraw/zinc/33/34/32/405333432.db2.gz LPUZVOVGCAYTGL-GBNFQVFUSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425977550 405333435 /nfs/dbraw/zinc/33/34/35/405333435.db2.gz LPUZVOVGCAYTGL-GBNFQVFUSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425977550 405333438 /nfs/dbraw/zinc/33/34/38/405333438.db2.gz LPUZVOVGCAYTGL-GBNFQVFUSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425977550 405333439 /nfs/dbraw/zinc/33/34/39/405333439.db2.gz LPUZVOVGCAYTGL-GBNFQVFUSA-N 2 1 301.390 2.492 20 5 DEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259448 405739983 /nfs/dbraw/zinc/73/99/83/405739983.db2.gz DSVFUKXTFZGGQU-GXTWGEPZSA-N 2 1 322.409 2.275 20 5 DEBDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296486 405752673 /nfs/dbraw/zinc/75/26/73/405752673.db2.gz HALFHFIHBLLYTQ-JSGCOSHPSA-N 2 1 322.409 2.419 20 5 DEBDMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000569340574 406240253 /nfs/dbraw/zinc/24/02/53/406240253.db2.gz QYLMTDALXXWXIM-BDAKNGLRSA-N 2 1 303.309 2.412 20 5 DEBDMP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765846174 640823869 /nfs/dbraw/zinc/82/38/69/640823869.db2.gz UNMVGEBRLIYOAP-QGZVFWFLSA-N 2 1 321.421 2.338 20 5 DEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581146 642187660 /nfs/dbraw/zinc/18/76/60/642187660.db2.gz FGIZYWAHUCDSMO-QGZVFWFLSA-N 2 1 321.421 2.433 20 5 DEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581146 642187662 /nfs/dbraw/zinc/18/76/62/642187662.db2.gz FGIZYWAHUCDSMO-QGZVFWFLSA-N 2 1 321.421 2.433 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000819356633 647642179 /nfs/dbraw/zinc/64/21/79/647642179.db2.gz ZKDJAJXCEAALAZ-KRWDZBQOSA-N 2 1 319.405 2.235 20 5 DEBDMP CC(C)[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCC1 ZINC000876922666 689973440 /nfs/dbraw/zinc/97/34/40/689973440.db2.gz GXGUPWLXTNSMIG-XUJLQICISA-N 2 1 321.425 2.205 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@@]23CCC[C@@H]2[NH2+]CC3)ncc1[N+](=O)[O-] ZINC001155410492 797751672 /nfs/dbraw/zinc/75/16/72/797751672.db2.gz HTIMCEJHOUTNNE-YORMDBTCSA-N 2 1 317.393 2.219 20 5 DEBDMP C[NH+](C)/C=C/c1cc(NC[C@@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001160150734 798655445 /nfs/dbraw/zinc/65/54/45/798655445.db2.gz KOJJONORQPIMBV-CFNZNRNTSA-N 2 1 305.382 2.076 20 5 DEBDMP C[NH+](C)/C=C/c1cc(Nc2ccc(C[NH3+])nc2)ncc1[N+](=O)[O-] ZINC001160402342 798683062 /nfs/dbraw/zinc/68/30/62/798683062.db2.gz POXJZVBZKSHRGN-AATRIKPKSA-N 2 1 314.349 2.119 20 5 DEBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC001656891111 1080135165 /nfs/dbraw/zinc/13/51/65/1080135165.db2.gz JQXAFIUBDLYEDO-SJORKVTESA-N 2 1 319.405 2.062 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246642124 1141020289 /nfs/dbraw/zinc/02/02/89/1141020289.db2.gz ZGYWTJBGKJXPQI-USXIJHARSA-N 2 1 301.390 2.278 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247015637 1141249060 /nfs/dbraw/zinc/24/90/60/1141249060.db2.gz PFJMRVMNAHZNJH-KBRIMQKVSA-N 2 1 301.390 2.136 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247015637 1141249099 /nfs/dbraw/zinc/24/90/99/1141249099.db2.gz PFJMRVMNAHZNJH-KBRIMQKVSA-N 2 1 301.390 2.136 20 5 DEBDMP C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001337433210 1142751878 /nfs/dbraw/zinc/75/18/78/1142751878.db2.gz XKUOEHFYGTVXEX-PEYYIBSZSA-N 2 1 312.373 2.317 20 5 DEBDMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001337433210 1142751881 /nfs/dbraw/zinc/75/18/81/1142751881.db2.gz XKUOEHFYGTVXEX-PEYYIBSZSA-N 2 1 312.373 2.317 20 5 DEBDMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447538797 282247756 /nfs/dbraw/zinc/24/77/56/282247756.db2.gz DIQIYADYFJIFGS-QLFBSQMISA-N 2 1 321.425 2.205 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179499773 199046292 /nfs/dbraw/zinc/04/62/92/199046292.db2.gz PDUVAELMCDYUHI-MRXNPFEDSA-N 2 1 318.377 2.155 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179499773 199046294 /nfs/dbraw/zinc/04/62/94/199046294.db2.gz PDUVAELMCDYUHI-MRXNPFEDSA-N 2 1 318.377 2.155 20 5 DEBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600771726 359825233 /nfs/dbraw/zinc/82/52/33/359825233.db2.gz AQDYNJQEENJYNJ-UHFFFAOYSA-N 2 1 319.361 2.262 20 5 DEBDMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000602519086 360415141 /nfs/dbraw/zinc/41/51/41/360415141.db2.gz VIVADFMHBPBFLX-ZDUSSCGKSA-N 2 1 321.421 2.481 20 5 DEBDMP Cc1[nH+]ccn1CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000373298567 133386117 /nfs/dbraw/zinc/38/61/17/133386117.db2.gz JCVNJYMDQGXEFM-UHFFFAOYSA-N 2 1 318.381 2.023 20 5 DEBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000245468724 402463967 /nfs/dbraw/zinc/46/39/67/402463967.db2.gz UDJNMMOPYQEWQA-YOEHRIQHSA-N 2 1 321.421 2.482 20 5 DEBDMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672272 403155913 /nfs/dbraw/zinc/15/59/13/403155913.db2.gz VCKPCFCLERYHEI-PBHICJAKSA-N 2 1 321.421 2.292 20 5 DEBDMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277947866 403273521 /nfs/dbraw/zinc/27/35/21/403273521.db2.gz RHLBUHVEVWBLKZ-OAHLLOKOSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1[N+](=O)[O-] ZINC000277947866 403273523 /nfs/dbraw/zinc/27/35/23/403273523.db2.gz RHLBUHVEVWBLKZ-OAHLLOKOSA-N 2 1 321.421 2.494 20 5 DEBDMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779551 404732376 /nfs/dbraw/zinc/73/23/76/404732376.db2.gz KKNJHBDTIASNQY-CABCVRRESA-N 2 1 319.405 2.425 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813865 404739965 /nfs/dbraw/zinc/73/99/65/404739965.db2.gz NADJDCRIWBKCHM-TZMCWYRMSA-N 2 1 322.409 2.419 20 5 DEBDMP C[C@H]1CC2(C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424287653 405057670 /nfs/dbraw/zinc/05/76/70/405057670.db2.gz JKPCKHCNNRHMIA-AWEZNQCLSA-N 2 1 319.405 2.438 20 5 DEBDMP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2c1 ZINC000420326625 405320540 /nfs/dbraw/zinc/32/05/40/405320540.db2.gz CMMDSWWOBCLEAF-TXEJJXNPSA-N 2 1 316.361 2.167 20 5 DEBDMP Cc1c(NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430558600 405456473 /nfs/dbraw/zinc/45/64/73/405456473.db2.gz VXRVBDOLGQDPNA-MRXNPFEDSA-N 2 1 322.409 2.195 20 5 DEBDMP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559426 405457523 /nfs/dbraw/zinc/45/75/23/405457523.db2.gz SWXFGXHRSGLELH-OLZOCXBDSA-N 2 1 323.393 2.041 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559426 405457524 /nfs/dbraw/zinc/45/75/24/405457524.db2.gz SWXFGXHRSGLELH-OLZOCXBDSA-N 2 1 323.393 2.041 20 5 DEBDMP [NH3+]C[C@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430959869 405548090 /nfs/dbraw/zinc/54/80/90/405548090.db2.gz FGELNNVXHFHFLF-GFCCVEGCSA-N 2 1 316.361 2.073 20 5 DEBDMP C[NH+]1CCC(CCO)([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC1 ZINC000351502503 425038227 /nfs/dbraw/zinc/03/82/27/425038227.db2.gz LXHOJVOXTKMLEA-GQCTYLIASA-N 2 1 319.405 2.044 20 5 DEBDMP Cn1cc(C[NH2+]CCC[NH+](C)C)c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000237101251 636469978 /nfs/dbraw/zinc/46/99/78/636469978.db2.gz IENULFPNIMGXSH-UHFFFAOYSA-N 2 1 317.393 2.037 20 5 DEBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414720 637167796 /nfs/dbraw/zinc/16/77/96/637167796.db2.gz NIKWTBBROKPIAU-NVXWUHKLSA-N 2 1 321.421 2.325 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500902 637217642 /nfs/dbraw/zinc/21/76/42/637217642.db2.gz ROTZEGKHUXADEP-OLZOCXBDSA-N 2 1 307.394 2.410 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277567 642153036 /nfs/dbraw/zinc/15/30/36/642153036.db2.gz OCZAULQMLLJGQO-COXVUDFISA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277567 642153042 /nfs/dbraw/zinc/15/30/42/642153042.db2.gz OCZAULQMLLJGQO-COXVUDFISA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277567 642153046 /nfs/dbraw/zinc/15/30/46/642153046.db2.gz OCZAULQMLLJGQO-COXVUDFISA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277567 642153049 /nfs/dbraw/zinc/15/30/49/642153049.db2.gz OCZAULQMLLJGQO-COXVUDFISA-N 2 1 321.421 2.433 20 5 DEBDMP C[C@H](C[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2)c1ccccc1[N+](=O)[O-] ZINC000902428487 643035431 /nfs/dbraw/zinc/03/54/31/643035431.db2.gz DLAAOBCQHYZQDM-JRRPOABZSA-N 2 1 301.390 2.284 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000876932302 689975604 /nfs/dbraw/zinc/97/56/04/689975604.db2.gz JFVMYRJDPULSKL-LMRVLLHPSA-N 2 1 321.425 2.205 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000876932302 689975606 /nfs/dbraw/zinc/97/56/06/689975606.db2.gz JFVMYRJDPULSKL-LMRVLLHPSA-N 2 1 321.425 2.205 20 5 DEBDMP C[N@@H+]1CCc2c(NC3(C)CC[NH2+]CC3)ccc([N+](=O)[O-])c2C1 ZINC001168188116 780419970 /nfs/dbraw/zinc/41/99/70/780419970.db2.gz NZUBZZZVBKXGPF-UHFFFAOYSA-N 2 1 304.394 2.137 20 5 DEBDMP C[N@H+]1CCc2c(NC3(C)CC[NH2+]CC3)ccc([N+](=O)[O-])c2C1 ZINC001168188116 780419975 /nfs/dbraw/zinc/41/99/75/780419975.db2.gz NZUBZZZVBKXGPF-UHFFFAOYSA-N 2 1 304.394 2.137 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296293 786891718 /nfs/dbraw/zinc/89/17/18/786891718.db2.gz GIWSQFCOJRLZHX-KGLIPLIRSA-N 2 1 321.421 2.466 20 5 DEBDMP C[NH+](C)/C=C/c1cc(NCC[C@H]2CCC[N@@H+]2C)ncc1[N+](=O)[O-] ZINC001160970921 798773100 /nfs/dbraw/zinc/77/31/00/798773100.db2.gz QOVHSHHEDVEJNA-DNGMOHDESA-N 2 1 319.409 2.418 20 5 DEBDMP C[NH+](C)/C=C/c1cc(NCC[C@H]2CCC[N@H+]2C)ncc1[N+](=O)[O-] ZINC001160970921 798773104 /nfs/dbraw/zinc/77/31/04/798773104.db2.gz QOVHSHHEDVEJNA-DNGMOHDESA-N 2 1 319.409 2.418 20 5 DEBDMP C[N@@H+]1CCc2c(N[C@H]3CCC[C@@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404583 799079503 /nfs/dbraw/zinc/07/95/03/799079503.db2.gz OMUSWNPXSCPLTI-NEPJUHHUSA-N 2 1 304.394 2.265 20 5 DEBDMP C[N@H+]1CCc2c(N[C@H]3CCC[C@@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404583 799079512 /nfs/dbraw/zinc/07/95/12/799079512.db2.gz OMUSWNPXSCPLTI-NEPJUHHUSA-N 2 1 304.394 2.265 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001658175763 1080200381 /nfs/dbraw/zinc/20/03/81/1080200381.db2.gz QFYYDXZMKIQENY-HZSPNIEDSA-N 2 1 305.378 2.033 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](C)C[C@H]23)cc1[N+](=O)[O-] ZINC001658175763 1080200391 /nfs/dbraw/zinc/20/03/91/1080200391.db2.gz QFYYDXZMKIQENY-HZSPNIEDSA-N 2 1 305.378 2.033 20 5 DEBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314688 358053092 /nfs/dbraw/zinc/05/30/92/358053092.db2.gz FNYVJKWNGVIQPB-BFYDXBDKSA-N 2 1 319.405 2.313 20 5 DEBDMP Cc1c(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cccc1[N+](=O)[O-] ZINC000602634409 360469124 /nfs/dbraw/zinc/46/91/24/360469124.db2.gz PBZLXOVBJXMRLB-UHFFFAOYSA-N 2 1 321.421 2.228 20 5 DEBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000602779427 360550125 /nfs/dbraw/zinc/55/01/25/360550125.db2.gz MLSPKDZKLLBWDK-HNNXBMFYSA-N 2 1 321.425 2.050 20 5 DEBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000602779427 360550127 /nfs/dbraw/zinc/55/01/27/360550127.db2.gz MLSPKDZKLLBWDK-HNNXBMFYSA-N 2 1 321.425 2.050 20 5 DEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331480 296240794 /nfs/dbraw/zinc/24/07/94/296240794.db2.gz QVUGKRUESJEDBP-KBPBESRZSA-N 2 1 319.405 2.343 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930276 145145686 /nfs/dbraw/zinc/14/56/86/145145686.db2.gz BZBINYHTUCKGBE-HUUCEWRRSA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930276 145145687 /nfs/dbraw/zinc/14/56/87/145145687.db2.gz BZBINYHTUCKGBE-HUUCEWRRSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930276 145145688 /nfs/dbraw/zinc/14/56/88/145145688.db2.gz BZBINYHTUCKGBE-HUUCEWRRSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930276 145145690 /nfs/dbraw/zinc/14/56/90/145145690.db2.gz BZBINYHTUCKGBE-HUUCEWRRSA-N 2 1 319.405 2.390 20 5 DEBDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1[N+](=O)[O-] ZINC000278156514 402860533 /nfs/dbraw/zinc/86/05/33/402860533.db2.gz APFGQTJDZIDKJZ-AGUYFDCRSA-N 2 1 305.378 2.318 20 5 DEBDMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1[N+](=O)[O-] ZINC000278156514 402860535 /nfs/dbraw/zinc/86/05/35/402860535.db2.gz APFGQTJDZIDKJZ-AGUYFDCRSA-N 2 1 305.378 2.318 20 5 DEBDMP CC[NH+](CC)CCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000365844738 404731384 /nfs/dbraw/zinc/73/13/84/404731384.db2.gz HSYURXPEMRKTLN-UHFFFAOYSA-N 2 1 309.414 2.160 20 5 DEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835200 404744989 /nfs/dbraw/zinc/74/49/89/404744989.db2.gz HKAUTIZGWDFUJL-JSGCOSHPSA-N 2 1 322.409 2.275 20 5 DEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430600490 405464747 /nfs/dbraw/zinc/46/47/47/405464747.db2.gz SAVXZIKDEKUNRE-HNNXBMFYSA-N 2 1 322.409 2.229 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423297499 276243083 /nfs/dbraw/zinc/24/30/83/276243083.db2.gz KNNJGJAQLBBVJI-MCIONIFRSA-N 2 1 309.414 2.382 20 5 DEBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033193 650410244 /nfs/dbraw/zinc/41/02/44/650410244.db2.gz OWOJVWKDQCFYQI-HNNXBMFYSA-N 2 1 318.421 2.295 20 5 DEBDMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280040 642152997 /nfs/dbraw/zinc/15/29/97/642152997.db2.gz WGOAIHXTPMHTNO-MRXNPFEDSA-N 2 1 307.394 2.044 20 5 DEBDMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280040 642152999 /nfs/dbraw/zinc/15/29/99/642152999.db2.gz WGOAIHXTPMHTNO-MRXNPFEDSA-N 2 1 307.394 2.044 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843353848 650955663 /nfs/dbraw/zinc/95/56/63/650955663.db2.gz MUQVSAVMTOELHQ-UHFFFAOYSA-N 2 1 320.393 2.043 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000876932301 689975411 /nfs/dbraw/zinc/97/54/11/689975411.db2.gz JFVMYRJDPULSKL-HESLUPGFSA-N 2 1 321.425 2.205 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000876932301 689975415 /nfs/dbraw/zinc/97/54/15/689975415.db2.gz JFVMYRJDPULSKL-HESLUPGFSA-N 2 1 321.425 2.205 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000876932300 689975747 /nfs/dbraw/zinc/97/57/47/689975747.db2.gz JFVMYRJDPULSKL-DNDYEEKYSA-N 2 1 321.425 2.205 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000876932300 689975751 /nfs/dbraw/zinc/97/57/51/689975751.db2.gz JFVMYRJDPULSKL-DNDYEEKYSA-N 2 1 321.425 2.205 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886869643 692216188 /nfs/dbraw/zinc/21/61/88/692216188.db2.gz DYUVJMGKZVOOKO-QGZVFWFLSA-N 2 1 319.405 2.439 20 5 DEBDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168976473 784981644 /nfs/dbraw/zinc/98/16/44/784981644.db2.gz DBSLCECSPWNOIP-GOEBONIOSA-N 2 1 318.421 2.394 20 5 DEBDMP C[NH+](C)CCCCNc1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001161735699 798925559 /nfs/dbraw/zinc/92/55/59/798925559.db2.gz BBHOUSWRZKRVAN-UHFFFAOYSA-N 2 1 306.410 2.336 20 5 DEBDMP C[NH+](C)CCCCNc1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001161735699 798925564 /nfs/dbraw/zinc/92/55/64/798925564.db2.gz BBHOUSWRZKRVAN-UHFFFAOYSA-N 2 1 306.410 2.336 20 5 DEBDMP C[N+](C)(C)CCCOC[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224624603 802887497 /nfs/dbraw/zinc/88/74/97/802887497.db2.gz YKIIFRIORQXLLX-GOSISDBHSA-N 2 1 307.458 2.000 20 5 DEBDMP C[N+](C)(C)CCCOC[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224624603 802887500 /nfs/dbraw/zinc/88/75/00/802887500.db2.gz YKIIFRIORQXLLX-GOSISDBHSA-N 2 1 307.458 2.000 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246089571 1140859322 /nfs/dbraw/zinc/85/93/22/1140859322.db2.gz GNRHMECBNYVKMB-TZMCWYRMSA-N 2 1 307.394 2.266 20 5 DEBDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246332616 1140885043 /nfs/dbraw/zinc/88/50/43/1140885043.db2.gz QQBKXVVMAGJKBG-MJEQTWJJSA-N 2 1 303.406 2.430 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553312 1140959311 /nfs/dbraw/zinc/95/93/11/1140959311.db2.gz AUIVKDYHMYXOKD-AAEUAGOBSA-N 2 1 313.348 2.442 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553312 1140959322 /nfs/dbraw/zinc/95/93/22/1140959322.db2.gz AUIVKDYHMYXOKD-AAEUAGOBSA-N 2 1 313.348 2.442 20 5 DEBDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580267 1143264157 /nfs/dbraw/zinc/26/41/57/1143264157.db2.gz BTHUYNZUXRQHPU-XJKSGUPXSA-N 2 1 303.406 2.384 20 5 DEBDMP C[N@H+]1CC[C@]2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608215 1143279837 /nfs/dbraw/zinc/27/98/37/1143279837.db2.gz PRGIIGPJQJXRQN-IRXDYDNUSA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608215 1143279852 /nfs/dbraw/zinc/27/98/52/1143279852.db2.gz PRGIIGPJQJXRQN-IRXDYDNUSA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@]2(CC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608215 1143279865 /nfs/dbraw/zinc/27/98/65/1143279865.db2.gz PRGIIGPJQJXRQN-IRXDYDNUSA-N 2 1 301.390 2.090 20 5 DEBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152469654 186076468 /nfs/dbraw/zinc/07/64/68/186076468.db2.gz RWDSEDXOWSZDOV-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152469654 186076470 /nfs/dbraw/zinc/07/64/70/186076470.db2.gz RWDSEDXOWSZDOV-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152469654 186076471 /nfs/dbraw/zinc/07/64/71/186076471.db2.gz RWDSEDXOWSZDOV-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592471340 357882246 /nfs/dbraw/zinc/88/22/46/357882246.db2.gz WZLASPZSDQKVTE-UHFFFAOYSA-N 2 1 305.378 2.190 20 5 DEBDMP Cc1noc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000595311706 358419707 /nfs/dbraw/zinc/41/97/07/358419707.db2.gz VZHGKQKMNKIXBQ-UHFFFAOYSA-N 2 1 310.398 2.443 20 5 DEBDMP Cc1noc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1[N+](=O)[O-] ZINC000595311706 358419708 /nfs/dbraw/zinc/41/97/08/358419708.db2.gz VZHGKQKMNKIXBQ-UHFFFAOYSA-N 2 1 310.398 2.443 20 5 DEBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000602779429 360549512 /nfs/dbraw/zinc/54/95/12/360549512.db2.gz MLSPKDZKLLBWDK-OAHLLOKOSA-N 2 1 321.425 2.050 20 5 DEBDMP Cc1ncc([N+](=O)[O-])n1CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000602779429 360549515 /nfs/dbraw/zinc/54/95/15/360549515.db2.gz MLSPKDZKLLBWDK-OAHLLOKOSA-N 2 1 321.425 2.050 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000542519063 285230391 /nfs/dbraw/zinc/23/03/91/285230391.db2.gz GKWUSAFYPZCUMM-GFCCVEGCSA-N 2 1 316.361 2.326 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1CN1CC[C@@H](c2nccn2C)C1 ZINC000542519063 285230394 /nfs/dbraw/zinc/23/03/94/285230394.db2.gz GKWUSAFYPZCUMM-GFCCVEGCSA-N 2 1 316.361 2.326 20 5 DEBDMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648765 533342995 /nfs/dbraw/zinc/34/29/95/533342995.db2.gz YQOZNGFLQTXMHH-NDNKKMJESA-N 2 1 304.394 2.453 20 5 DEBDMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370062168 404320989 /nfs/dbraw/zinc/32/09/89/404320989.db2.gz XJKQOYVLTVRZKL-AWEZNQCLSA-N 2 1 321.425 2.303 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351497517 404609823 /nfs/dbraw/zinc/60/98/23/404609823.db2.gz UAMAMZCBXUCIIN-GLQYFDAESA-N 2 1 305.378 2.163 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351497517 404609828 /nfs/dbraw/zinc/60/98/28/404609828.db2.gz UAMAMZCBXUCIIN-GLQYFDAESA-N 2 1 305.378 2.163 20 5 DEBDMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279864 405306597 /nfs/dbraw/zinc/30/65/97/405306597.db2.gz XOIMQPQZUZDOOH-GXTWGEPZSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279864 405306599 /nfs/dbraw/zinc/30/65/99/405306599.db2.gz XOIMQPQZUZDOOH-GXTWGEPZSA-N 2 1 320.393 2.125 20 5 DEBDMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000459722436 406019321 /nfs/dbraw/zinc/01/93/21/406019321.db2.gz BJNBVWCOSBPIPB-GFCCVEGCSA-N 2 1 323.393 2.131 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397393908 269106298 /nfs/dbraw/zinc/10/62/98/269106298.db2.gz ORMDRNJIRZKXTR-SCRDCRAPSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397393908 269106299 /nfs/dbraw/zinc/10/62/99/269106299.db2.gz ORMDRNJIRZKXTR-SCRDCRAPSA-N 2 1 307.394 2.409 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688103 638671716 /nfs/dbraw/zinc/67/17/16/638671716.db2.gz IWQVQOSIARSMFK-JLJPHGGASA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688103 638671720 /nfs/dbraw/zinc/67/17/20/638671720.db2.gz IWQVQOSIARSMFK-JLJPHGGASA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688103 638671722 /nfs/dbraw/zinc/67/17/22/638671722.db2.gz IWQVQOSIARSMFK-JLJPHGGASA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688103 638671727 /nfs/dbraw/zinc/67/17/27/638671727.db2.gz IWQVQOSIARSMFK-JLJPHGGASA-N 2 1 321.421 2.433 20 5 DEBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903718372 643438395 /nfs/dbraw/zinc/43/83/95/643438395.db2.gz LLYGSFAZYOCCOA-OAHLLOKOSA-N 2 1 318.421 2.107 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843353986 650955735 /nfs/dbraw/zinc/95/57/35/650955735.db2.gz PAKWRPMDCYZYIU-UHFFFAOYSA-N 2 1 320.393 2.043 20 5 DEBDMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142940 646978302 /nfs/dbraw/zinc/97/83/02/646978302.db2.gz ADHKNKUZVZDULA-IAGOWNOFSA-N 2 1 319.405 2.046 20 5 DEBDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142940 646978309 /nfs/dbraw/zinc/97/83/09/646978309.db2.gz ADHKNKUZVZDULA-IAGOWNOFSA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142940 646978313 /nfs/dbraw/zinc/97/83/13/646978313.db2.gz ADHKNKUZVZDULA-IAGOWNOFSA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142940 646978318 /nfs/dbraw/zinc/97/83/18/646978318.db2.gz ADHKNKUZVZDULA-IAGOWNOFSA-N 2 1 319.405 2.046 20 5 DEBDMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142941 646978578 /nfs/dbraw/zinc/97/85/78/646978578.db2.gz ADHKNKUZVZDULA-IRXDYDNUSA-N 2 1 319.405 2.046 20 5 DEBDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142941 646978587 /nfs/dbraw/zinc/97/85/87/646978587.db2.gz ADHKNKUZVZDULA-IRXDYDNUSA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142941 646978591 /nfs/dbraw/zinc/97/85/91/646978591.db2.gz ADHKNKUZVZDULA-IRXDYDNUSA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142941 646978597 /nfs/dbraw/zinc/97/85/97/646978597.db2.gz ADHKNKUZVZDULA-IRXDYDNUSA-N 2 1 319.405 2.046 20 5 DEBDMP Cc1c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000873048548 689148661 /nfs/dbraw/zinc/14/86/61/689148661.db2.gz DFQAJJGIKJKBIH-MRXNPFEDSA-N 2 1 321.421 2.230 20 5 DEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019758 689999339 /nfs/dbraw/zinc/99/93/39/689999339.db2.gz DJWMDKOBGRIASA-NFOMZHRRSA-N 2 1 321.425 2.205 20 5 DEBDMP Cc1[nH]c(C2CC[NH+](CCn3cc([N+](=O)[O-])cn3)CC2)[nH+]c1C ZINC000886664081 692152496 /nfs/dbraw/zinc/15/24/96/692152496.db2.gz AYXXOXHZPNQPEQ-UHFFFAOYSA-N 2 1 318.381 2.011 20 5 DEBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925630961 693312093 /nfs/dbraw/zinc/31/20/93/693312093.db2.gz VLOQMAGRYQCZEH-BOOVAVIHSA-N 2 1 321.808 2.377 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001658175762 1080200476 /nfs/dbraw/zinc/20/04/76/1080200476.db2.gz QFYYDXZMKIQENY-BFHYXJOUSA-N 2 1 305.378 2.033 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@H]32)cc1[N+](=O)[O-] ZINC001658175762 1080200483 /nfs/dbraw/zinc/20/04/83/1080200483.db2.gz QFYYDXZMKIQENY-BFHYXJOUSA-N 2 1 305.378 2.033 20 5 DEBDMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552865 1140959194 /nfs/dbraw/zinc/95/91/94/1140959194.db2.gz WDCOBCOSBGQWQI-JKSUJKDBSA-N 2 1 307.369 2.215 20 5 DEBDMP C[C@@H]([NH2+]CCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266775355 402990572 /nfs/dbraw/zinc/99/05/72/402990572.db2.gz BUJHETWWGQUZPT-CYBMUJFWSA-N 2 1 307.394 2.092 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000342092966 404360596 /nfs/dbraw/zinc/36/05/96/404360596.db2.gz DTCKBVLSKJDKMF-WCFLWFBJSA-N 2 1 316.361 2.295 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000342092966 404360601 /nfs/dbraw/zinc/36/06/01/404360601.db2.gz DTCKBVLSKJDKMF-WCFLWFBJSA-N 2 1 316.361 2.295 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295550 404455805 /nfs/dbraw/zinc/45/58/05/404455805.db2.gz SIRSWVNJJMBNEU-IKGGRYGDSA-N 2 1 319.405 2.278 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295550 404455807 /nfs/dbraw/zinc/45/58/07/404455807.db2.gz SIRSWVNJJMBNEU-IKGGRYGDSA-N 2 1 319.405 2.278 20 5 DEBDMP Cc1c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000420324171 405319570 /nfs/dbraw/zinc/31/95/70/405319570.db2.gz GVWLALQEYRYBDA-HNNXBMFYSA-N 2 1 319.405 2.091 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430593635 405463669 /nfs/dbraw/zinc/46/36/69/405463669.db2.gz TVRNPMCLUFAGLD-UHFFFAOYSA-N 2 1 322.409 2.149 20 5 DEBDMP Cc1cc(N[C@@H]2CCn3cc[nH+]c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000489922707 274674147 /nfs/dbraw/zinc/67/41/47/274674147.db2.gz HNVHTRBRNMNGEU-GFCCVEGCSA-N 2 1 323.356 2.497 20 5 DEBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309350 637109508 /nfs/dbraw/zinc/10/95/08/637109508.db2.gz KCYKGZIDUHQJPS-INIZCTEOSA-N 2 1 319.405 2.184 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500904 637217338 /nfs/dbraw/zinc/21/73/38/637217338.db2.gz ROTZEGKHUXADEP-STQMWFEESA-N 2 1 307.394 2.410 20 5 DEBDMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000896510471 638545717 /nfs/dbraw/zinc/54/57/17/638545717.db2.gz QKQSMLWCXFQJJK-CYBMUJFWSA-N 2 1 321.421 2.481 20 5 DEBDMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765849796 640824337 /nfs/dbraw/zinc/82/43/37/640824337.db2.gz QTSCJHYGLRTRCU-MRXNPFEDSA-N 2 1 321.421 2.481 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279103 642152678 /nfs/dbraw/zinc/15/26/78/642152678.db2.gz VOXNUIBTJJKKJN-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279103 642152680 /nfs/dbraw/zinc/15/26/80/642152680.db2.gz VOXNUIBTJJKKJN-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279103 642152683 /nfs/dbraw/zinc/15/26/83/642152683.db2.gz VOXNUIBTJJKKJN-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279103 642152684 /nfs/dbraw/zinc/15/26/84/642152684.db2.gz VOXNUIBTJJKKJN-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000903086503 643244350 /nfs/dbraw/zinc/24/43/50/643244350.db2.gz OERCHZWZODWIOE-LLVKDONJSA-N 2 1 304.350 2.459 20 5 DEBDMP O=[N+]([O-])c1ccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000903718371 643437778 /nfs/dbraw/zinc/43/77/78/643437778.db2.gz LLYGSFAZYOCCOA-HNNXBMFYSA-N 2 1 318.421 2.107 20 5 DEBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722420 643439037 /nfs/dbraw/zinc/43/90/37/643439037.db2.gz ANIXCYWDEWLBRF-OAHLLOKOSA-N 2 1 319.405 2.185 20 5 DEBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722420 643439039 /nfs/dbraw/zinc/43/90/39/643439039.db2.gz ANIXCYWDEWLBRF-OAHLLOKOSA-N 2 1 319.405 2.185 20 5 DEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984207 647557959 /nfs/dbraw/zinc/55/79/59/647557959.db2.gz ANRBDLOREQZVAU-YOEHRIQHSA-N 2 1 321.421 2.338 20 5 DEBDMP C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000863545233 686519334 /nfs/dbraw/zinc/51/93/34/686519334.db2.gz MHRSHTMGUAYBGY-DZGCQCFKSA-N 2 1 318.421 2.294 20 5 DEBDMP COc1ccc(C[C@@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352832 786917230 /nfs/dbraw/zinc/91/72/30/786917230.db2.gz RIXSYICYIBUXCG-YUELXQCFSA-N 2 1 319.405 2.028 20 5 DEBDMP COc1ccc(C[C@@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352832 786917237 /nfs/dbraw/zinc/91/72/37/786917237.db2.gz RIXSYICYIBUXCG-YUELXQCFSA-N 2 1 319.405 2.028 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352832 786917243 /nfs/dbraw/zinc/91/72/43/786917243.db2.gz RIXSYICYIBUXCG-YUELXQCFSA-N 2 1 319.405 2.028 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352832 786917249 /nfs/dbraw/zinc/91/72/49/786917249.db2.gz RIXSYICYIBUXCG-YUELXQCFSA-N 2 1 319.405 2.028 20 5 DEBDMP [NH3+]CCC[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC001580297247 1075897238 /nfs/dbraw/zinc/89/72/38/1075897238.db2.gz MZMHRSCEBPAXJY-KRWDZBQOSA-N 2 1 321.421 2.469 20 5 DEBDMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246496957 1140926336 /nfs/dbraw/zinc/92/63/36/1140926336.db2.gz NKCSMIYLXWVZIE-WQVCFCJDSA-N 2 1 303.406 2.430 20 5 DEBDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601432 1143273783 /nfs/dbraw/zinc/27/37/83/1143273783.db2.gz ZXTJEYDVQFDERC-KRWDZBQOSA-N 2 1 303.406 2.336 20 5 DEBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000595014157 358378644 /nfs/dbraw/zinc/37/86/44/358378644.db2.gz LOGUZOOLRKWKQW-LLVKDONJSA-N 2 1 304.350 2.459 20 5 DEBDMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000443068800 238103176 /nfs/dbraw/zinc/10/31/76/238103176.db2.gz IKXFYZRXKFEXAX-NSHDSACASA-N 2 1 304.350 2.297 20 5 DEBDMP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c[nH+]ccc1N ZINC000565474663 292164180 /nfs/dbraw/zinc/16/41/80/292164180.db2.gz INMCYUQLIBDRJS-NSHDSACASA-N 2 1 302.334 2.132 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781570 404733036 /nfs/dbraw/zinc/73/30/36/404733036.db2.gz NFFCWUQOIIGTSB-OAHLLOKOSA-N 2 1 319.405 2.091 20 5 DEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420306230 405312922 /nfs/dbraw/zinc/31/29/22/405312922.db2.gz ACDLYBRXPCDUAB-CQSZACIVSA-N 2 1 320.393 2.127 20 5 DEBDMP Cc1c(NC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C)cccc1[N+](=O)[O-] ZINC000430558599 405456790 /nfs/dbraw/zinc/45/67/90/405456790.db2.gz VXRVBDOLGQDPNA-INIZCTEOSA-N 2 1 322.409 2.195 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000765789567 640818883 /nfs/dbraw/zinc/81/88/83/640818883.db2.gz BAOGPMUHEMQCQR-NUEKZKHPSA-N 2 1 319.405 2.417 20 5 DEBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954288 643528791 /nfs/dbraw/zinc/52/87/91/643528791.db2.gz CMIQGNCVLPQGCC-HSBHDXMMSA-N 2 1 311.332 2.442 20 5 DEBDMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000906517945 644270521 /nfs/dbraw/zinc/27/05/21/644270521.db2.gz KCQDZNMLMHHHSG-HDJSIYSDSA-N 2 1 304.394 2.164 20 5 DEBDMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818968479 647552856 /nfs/dbraw/zinc/55/28/56/647552856.db2.gz BNJKDBPJZWXDDA-MRXNPFEDSA-N 2 1 321.421 2.481 20 5 DEBDMP Cc1c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000873044107 689147508 /nfs/dbraw/zinc/14/75/08/689147508.db2.gz CLEYMDKKYSRQDL-UHFFFAOYSA-N 2 1 320.437 2.020 20 5 DEBDMP Cc1c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000873121298 689162183 /nfs/dbraw/zinc/16/21/83/689162183.db2.gz FATCDMGVIQHCKB-UHFFFAOYSA-N 2 1 320.437 2.019 20 5 DEBDMP Cc1[nH]c(C2CC[NH+](CCn3ccc([N+](=O)[O-])n3)CC2)[nH+]c1C ZINC000886665856 692153045 /nfs/dbraw/zinc/15/30/45/692153045.db2.gz IFOABWSYIHBPCI-UHFFFAOYSA-N 2 1 318.381 2.011 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886870440 692216168 /nfs/dbraw/zinc/21/61/68/692216168.db2.gz YCQICHIMRUZQFG-KRWDZBQOSA-N 2 1 319.405 2.439 20 5 DEBDMP Cc1ccc[nH+]c1N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053573 785022639 /nfs/dbraw/zinc/02/26/39/785022639.db2.gz IYYUQLBCRFAGRT-GDBMZVCRSA-N 2 1 318.421 2.394 20 5 DEBDMP C[N@H+]1CCC[C@H](CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001165277990 799694532 /nfs/dbraw/zinc/69/45/32/799694532.db2.gz CFUDZRZONPDAHA-GFCCVEGCSA-N 2 1 304.394 2.342 20 5 DEBDMP [NH3+]C[C@@]1(F)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552864 1140958009 /nfs/dbraw/zinc/95/80/09/1140958009.db2.gz WDCOBCOSBGQWQI-HZPDHXFCSA-N 2 1 307.369 2.215 20 5 DEBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580263 1143263628 /nfs/dbraw/zinc/26/36/28/1143263628.db2.gz BTHUYNZUXRQHPU-CJNGLKHVSA-N 2 1 303.406 2.384 20 5 DEBDMP C[N@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600907 1143274897 /nfs/dbraw/zinc/27/48/97/1143274897.db2.gz SEMFCQIEIVCTAI-QGZVFWFLSA-N 2 1 303.406 2.480 20 5 DEBDMP C[N@@H+](CCC[NH+]1CCCC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600907 1143274908 /nfs/dbraw/zinc/27/49/08/1143274908.db2.gz SEMFCQIEIVCTAI-QGZVFWFLSA-N 2 1 303.406 2.480 20 5 DEBDMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282464386 217015757 /nfs/dbraw/zinc/01/57/57/217015757.db2.gz UFDJHXXUXXFAPW-UHFFFAOYSA-N 2 1 320.437 2.019 20 5 DEBDMP CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361998081 133204187 /nfs/dbraw/zinc/20/41/87/133204187.db2.gz QMMRDHSPITUNOZ-QGZVFWFLSA-N 2 1 318.421 2.200 20 5 DEBDMP CN(c1ccc([N+](=O)[O-])cc1)[C@@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361998081 133204188 /nfs/dbraw/zinc/20/41/88/133204188.db2.gz QMMRDHSPITUNOZ-QGZVFWFLSA-N 2 1 318.421 2.200 20 5 DEBDMP CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@@H+](C2CC[NH+](C)CC2)C1 ZINC000361998080 133204202 /nfs/dbraw/zinc/20/42/02/133204202.db2.gz QMMRDHSPITUNOZ-KRWDZBQOSA-N 2 1 318.421 2.200 20 5 DEBDMP CN(c1ccc([N+](=O)[O-])cc1)[C@H]1CC[N@H+](C2CC[NH+](C)CC2)C1 ZINC000361998080 133204203 /nfs/dbraw/zinc/20/42/03/133204203.db2.gz QMMRDHSPITUNOZ-KRWDZBQOSA-N 2 1 318.421 2.200 20 5 DEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000565990401 292195346 /nfs/dbraw/zinc/19/53/46/292195346.db2.gz WQKRFWRAYNUYKX-ZIAGYGMSSA-N 2 1 318.381 2.070 20 5 DEBDMP Cc1c(NC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420372572 405336211 /nfs/dbraw/zinc/33/62/11/405336211.db2.gz YIHXFEUJMKXPKC-AWEZNQCLSA-N 2 1 322.409 2.195 20 5 DEBDMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296487 405752340 /nfs/dbraw/zinc/75/23/40/405752340.db2.gz HALFHFIHBLLYTQ-OCCSQVGLSA-N 2 1 322.409 2.419 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000567910898 406158636 /nfs/dbraw/zinc/15/86/36/406158636.db2.gz JFANWQPGOWIHRN-STQMWFEESA-N 2 1 320.393 2.043 20 5 DEBDMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331910350 276152176 /nfs/dbraw/zinc/15/21/76/276152176.db2.gz MVEICNODJNHTCN-LSDHHAIUSA-N 2 1 321.425 2.349 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923365544 637138055 /nfs/dbraw/zinc/13/80/55/637138055.db2.gz WVVCDARIDWDUEW-DJIMGWMZSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923365544 637138059 /nfs/dbraw/zinc/13/80/59/637138059.db2.gz WVVCDARIDWDUEW-DJIMGWMZSA-N 2 1 319.405 2.092 20 5 DEBDMP Cc1nn(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738088763 638591486 /nfs/dbraw/zinc/59/14/86/638591486.db2.gz IKMHTKSLZRAGTA-UHFFFAOYSA-N 2 1 323.441 2.418 20 5 DEBDMP Cc1nn(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000738088763 638591491 /nfs/dbraw/zinc/59/14/91/638591491.db2.gz IKMHTKSLZRAGTA-UHFFFAOYSA-N 2 1 323.441 2.418 20 5 DEBDMP [NH3+]CC[C@@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000904405627 643659787 /nfs/dbraw/zinc/65/97/87/643659787.db2.gz LMLPBWXIPRFKQI-SNVBAGLBSA-N 2 1 315.320 2.367 20 5 DEBDMP COc1ccc(OCC[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000843354671 650955312 /nfs/dbraw/zinc/95/53/12/650955312.db2.gz BLKXFKNDJHDTHB-UHFFFAOYSA-N 2 1 323.393 2.184 20 5 DEBDMP C[C@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000819227151 647612281 /nfs/dbraw/zinc/61/22/81/647612281.db2.gz AUNFXAVPTMIZIM-RHSMWYFYSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000819227153 647612339 /nfs/dbraw/zinc/61/23/39/647612339.db2.gz AUNFXAVPTMIZIM-YOEHRIQHSA-N 2 1 321.421 2.482 20 5 DEBDMP Cc1nn(C[N@@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000872744700 689081657 /nfs/dbraw/zinc/08/16/57/689081657.db2.gz XIDQOUHRMLZFTH-UHFFFAOYSA-N 2 1 323.441 2.357 20 5 DEBDMP CC(C)C[N@@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC[NH+](C)CC1 ZINC000879704315 690711066 /nfs/dbraw/zinc/71/10/66/690711066.db2.gz OGJPMBBUARAYAK-UHFFFAOYSA-N 2 1 323.441 2.091 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170298133 786894131 /nfs/dbraw/zinc/89/41/31/786894131.db2.gz GAIDUFLLKDINOT-GFCCVEGCSA-N 2 1 307.394 2.218 20 5 DEBDMP COc1ccc(C[C@H](C)[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329329 786911445 /nfs/dbraw/zinc/91/14/45/786911445.db2.gz ONOPJQBKPGDTIG-ZDUSSCGKSA-N 2 1 309.410 2.418 20 5 DEBDMP COc1ccc(C[C@H](C)[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329329 786911453 /nfs/dbraw/zinc/91/14/53/786911453.db2.gz ONOPJQBKPGDTIG-ZDUSSCGKSA-N 2 1 309.410 2.418 20 5 DEBDMP COCC[N@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC001573986382 1069139923 /nfs/dbraw/zinc/13/99/23/1069139923.db2.gz PAINIQWNCDGKJP-UHFFFAOYSA-N 2 1 321.421 2.412 20 5 DEBDMP COCC[N@@H+](Cc1c(C)ccc([N+](=O)[O-])c1C)C1CC[NH2+]CC1 ZINC001573986382 1069139929 /nfs/dbraw/zinc/13/99/29/1069139929.db2.gz PAINIQWNCDGKJP-UHFFFAOYSA-N 2 1 321.421 2.412 20 5 DEBDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254576999 1143261438 /nfs/dbraw/zinc/26/14/38/1143261438.db2.gz BFJZADWNYFPTJH-JONQDZQNSA-N 2 1 301.390 2.277 20 5 DEBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442786220 529925867 /nfs/dbraw/zinc/92/58/67/529925867.db2.gz WZVGOUHMILIDJP-NNQSOWQGSA-N 2 1 305.378 2.188 20 5 DEBDMP CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592487918 357885444 /nfs/dbraw/zinc/88/54/44/357885444.db2.gz CCPBEZLSETTWKY-GXTWGEPZSA-N 2 1 323.393 2.041 20 5 DEBDMP CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592487918 357885450 /nfs/dbraw/zinc/88/54/50/357885450.db2.gz CCPBEZLSETTWKY-GXTWGEPZSA-N 2 1 323.393 2.041 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314264 358052549 /nfs/dbraw/zinc/05/25/49/358052549.db2.gz BLWYLHQEZTZTAC-UXLLHSPISA-N 2 1 319.405 2.313 20 5 DEBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315370 358053403 /nfs/dbraw/zinc/05/34/03/358053403.db2.gz IZKROUMLSFMGHE-BFYDXBDKSA-N 2 1 319.405 2.313 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000266059676 205064919 /nfs/dbraw/zinc/06/49/19/205064919.db2.gz AMAPRNRDNLXPFH-OCCSQVGLSA-N 2 1 307.394 2.423 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000266059676 205064922 /nfs/dbraw/zinc/06/49/22/205064922.db2.gz AMAPRNRDNLXPFH-OCCSQVGLSA-N 2 1 307.394 2.423 20 5 DEBDMP C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536885 133277219 /nfs/dbraw/zinc/27/72/19/133277219.db2.gz FLROCLRCMSMQHU-RCBQFDQVSA-N 2 1 305.378 2.109 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358499386 147145838 /nfs/dbraw/zinc/14/58/38/147145838.db2.gz NVEVWKJIKBVSPN-UHFFFAOYSA-N 2 1 305.378 2.179 20 5 DEBDMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccc([N+](=O)[O-])cc1 ZINC000183303776 402754393 /nfs/dbraw/zinc/75/43/93/402754393.db2.gz XDBVXELRKLQUMC-UHFFFAOYSA-N 2 1 300.362 2.388 20 5 DEBDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277885088 403267639 /nfs/dbraw/zinc/26/76/39/403267639.db2.gz OEZMGWOTQRWZRR-CQSZACIVSA-N 2 1 307.394 2.185 20 5 DEBDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277885088 403267641 /nfs/dbraw/zinc/26/76/41/403267641.db2.gz OEZMGWOTQRWZRR-CQSZACIVSA-N 2 1 307.394 2.185 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000342100372 404367758 /nfs/dbraw/zinc/36/77/58/404367758.db2.gz JZSBAGHDLFVLDV-MELADBBJSA-N 2 1 305.378 2.033 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338416 405325064 /nfs/dbraw/zinc/32/50/64/405325064.db2.gz XYFFOPRECPGUEO-HUUCEWRRSA-N 2 1 319.405 2.295 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344230 405327285 /nfs/dbraw/zinc/32/72/85/405327285.db2.gz SEVIPROSHNBCKB-KGLIPLIRSA-N 2 1 319.405 2.425 20 5 DEBDMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000337274159 522749701 /nfs/dbraw/zinc/74/97/01/522749701.db2.gz POICCSFRKQDKMC-UHFFFAOYSA-N 2 1 307.394 2.391 20 5 DEBDMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccc([N+](=O)[O-])cc1 ZINC000337274159 522749711 /nfs/dbraw/zinc/74/97/11/522749711.db2.gz POICCSFRKQDKMC-UHFFFAOYSA-N 2 1 307.394 2.391 20 5 DEBDMP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C[NH3+] ZINC000923498793 637216158 /nfs/dbraw/zinc/21/61/58/637216158.db2.gz QAIOQJMAKLJNMJ-MNOVXSKESA-N 2 1 304.350 2.153 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279090 642152900 /nfs/dbraw/zinc/15/29/00/642152900.db2.gz VOXNUIBTJJKKJN-DJIMGWMZSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279090 642152903 /nfs/dbraw/zinc/15/29/03/642152903.db2.gz VOXNUIBTJJKKJN-DJIMGWMZSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279090 642152906 /nfs/dbraw/zinc/15/29/06/642152906.db2.gz VOXNUIBTJJKKJN-DJIMGWMZSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279090 642152909 /nfs/dbraw/zinc/15/29/09/642152909.db2.gz VOXNUIBTJJKKJN-DJIMGWMZSA-N 2 1 319.405 2.044 20 5 DEBDMP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818981813 647556833 /nfs/dbraw/zinc/55/68/33/647556833.db2.gz ZGQJLZSMHQMCPL-QGZVFWFLSA-N 2 1 321.421 2.338 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173232140 793644915 /nfs/dbraw/zinc/64/49/15/793644915.db2.gz PJFKZQUBRZORRH-FRFSOERESA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173232140 793644919 /nfs/dbraw/zinc/64/49/19/793644919.db2.gz PJFKZQUBRZORRH-FRFSOERESA-N 2 1 303.406 2.409 20 5 DEBDMP C[N@H+]1CCC[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001165277992 799694429 /nfs/dbraw/zinc/69/44/29/799694429.db2.gz CFUDZRZONPDAHA-LBPRGKRZSA-N 2 1 304.394 2.342 20 5 DEBDMP C[C@H]1C[NH2+]C[C@@H]([NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001246496955 1140926449 /nfs/dbraw/zinc/92/64/49/1140926449.db2.gz NKCSMIYLXWVZIE-KCXAZCMYSA-N 2 1 303.406 2.430 20 5 DEBDMP C[C@H]1C[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C[NH3+] ZINC001246544786 1140949861 /nfs/dbraw/zinc/94/98/61/1140949861.db2.gz YWVMXIPJGJXRCS-UONOGXRCSA-N 2 1 318.421 2.090 20 5 DEBDMP C[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@@H]1C[NH3+] ZINC001246566806 1140969628 /nfs/dbraw/zinc/96/96/28/1140969628.db2.gz JRJJTZVAPOVNAY-MRRJBJDNSA-N 2 1 303.406 2.369 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247015638 1141247935 /nfs/dbraw/zinc/24/79/35/1141247935.db2.gz PFJMRVMNAHZNJH-XKQJLSEDSA-N 2 1 301.390 2.136 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247015638 1141248020 /nfs/dbraw/zinc/24/80/20/1141248020.db2.gz PFJMRVMNAHZNJH-XKQJLSEDSA-N 2 1 301.390 2.136 20 5 DEBDMP C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593730828 358132655 /nfs/dbraw/zinc/13/26/55/358132655.db2.gz HZWHYUBPRODLLZ-BBRMVZONSA-N 2 1 307.394 2.423 20 5 DEBDMP Cc1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000595403658 358440898 /nfs/dbraw/zinc/44/08/98/358440898.db2.gz GXRYWHHHMPTDOE-UHFFFAOYSA-N 2 1 310.398 2.445 20 5 DEBDMP C[N@H+]1CC=C(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602580088 360442212 /nfs/dbraw/zinc/44/22/12/360442212.db2.gz CYHTXUSUGIXDIT-UHFFFAOYSA-N 2 1 302.334 2.088 20 5 DEBDMP C[N@@H+]1CC=C(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602580088 360442213 /nfs/dbraw/zinc/44/22/13/360442213.db2.gz CYHTXUSUGIXDIT-UHFFFAOYSA-N 2 1 302.334 2.088 20 5 DEBDMP C[N@H+](CCC[NH+]1CCCC1)CCOc1ccccc1[N+](=O)[O-] ZINC000281303653 216225360 /nfs/dbraw/zinc/22/53/60/216225360.db2.gz KALRAHWQKCNXPJ-UHFFFAOYSA-N 2 1 307.394 2.391 20 5 DEBDMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1ccccc1[N+](=O)[O-] ZINC000281303653 216225363 /nfs/dbraw/zinc/22/53/63/216225363.db2.gz KALRAHWQKCNXPJ-UHFFFAOYSA-N 2 1 307.394 2.391 20 5 DEBDMP CN1CCC([N@@H+]2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411949 361594797 /nfs/dbraw/zinc/59/47/97/361594797.db2.gz JDSXHWCSGJXDPG-LLVKDONJSA-N 2 1 310.423 2.237 20 5 DEBDMP CN1CCC([N@H+]2CC[C@@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411949 361594803 /nfs/dbraw/zinc/59/48/03/361594803.db2.gz JDSXHWCSGJXDPG-LLVKDONJSA-N 2 1 310.423 2.237 20 5 DEBDMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420306228 405313091 /nfs/dbraw/zinc/31/30/91/405313091.db2.gz ACDLYBRXPCDUAB-AWEZNQCLSA-N 2 1 320.393 2.127 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332249 405322853 /nfs/dbraw/zinc/32/28/53/405322853.db2.gz RRPGZOZAHDLAOO-LSDHHAIUSA-N 2 1 319.405 2.295 20 5 DEBDMP C[NH+](C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447538798 405417338 /nfs/dbraw/zinc/41/73/38/405417338.db2.gz DIQIYADYFJIFGS-RBSFLKMASA-N 2 1 321.425 2.205 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000567910896 406159262 /nfs/dbraw/zinc/15/92/62/406159262.db2.gz JFANWQPGOWIHRN-QWHCGFSZSA-N 2 1 320.393 2.043 20 5 DEBDMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940166 406458367 /nfs/dbraw/zinc/45/83/67/406458367.db2.gz QHQOATCMWYMZSR-NVXWUHKLSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940166 406458374 /nfs/dbraw/zinc/45/83/74/406458374.db2.gz QHQOATCMWYMZSR-NVXWUHKLSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940166 406458377 /nfs/dbraw/zinc/45/83/77/406458377.db2.gz QHQOATCMWYMZSR-NVXWUHKLSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940166 406458382 /nfs/dbraw/zinc/45/83/82/406458382.db2.gz QHQOATCMWYMZSR-NVXWUHKLSA-N 2 1 321.421 2.087 20 5 DEBDMP COCC[N@@H+](C)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934292 326257525 /nfs/dbraw/zinc/25/75/25/326257525.db2.gz INEBXEHBMUBLLP-HNNXBMFYSA-N 2 1 307.394 2.140 20 5 DEBDMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934292 326257530 /nfs/dbraw/zinc/25/75/30/326257530.db2.gz INEBXEHBMUBLLP-HNNXBMFYSA-N 2 1 307.394 2.140 20 5 DEBDMP Cc1nn(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC000755774885 639586653 /nfs/dbraw/zinc/58/66/53/639586653.db2.gz MJMPCRGOIDCTGC-HNNXBMFYSA-N 2 1 321.425 2.029 20 5 DEBDMP Cc1nn(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC000755774885 639586657 /nfs/dbraw/zinc/58/66/57/639586657.db2.gz MJMPCRGOIDCTGC-HNNXBMFYSA-N 2 1 321.425 2.029 20 5 DEBDMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765849794 640824443 /nfs/dbraw/zinc/82/44/43/640824443.db2.gz QTSCJHYGLRTRCU-INIZCTEOSA-N 2 1 321.421 2.481 20 5 DEBDMP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819043037 647571064 /nfs/dbraw/zinc/57/10/64/647571064.db2.gz OXQQTLOHLOOJTP-KRWDZBQOSA-N 2 1 321.421 2.482 20 5 DEBDMP [NH3+]C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872151084 688938011 /nfs/dbraw/zinc/93/80/11/688938011.db2.gz ULTKUBRGCGENKQ-YPMHNXCESA-N 2 1 317.311 2.206 20 5 DEBDMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872151084 688938013 /nfs/dbraw/zinc/93/80/13/688938013.db2.gz ULTKUBRGCGENKQ-YPMHNXCESA-N 2 1 317.311 2.206 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000876930850 689975648 /nfs/dbraw/zinc/97/56/48/689975648.db2.gz DXMJCSAICYRSRW-HESLUPGFSA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCCC[C@@H]1C ZINC000876930850 689975653 /nfs/dbraw/zinc/97/56/53/689975653.db2.gz DXMJCSAICYRSRW-HESLUPGFSA-N 2 1 321.425 2.347 20 5 DEBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057137 1152054958 /nfs/dbraw/zinc/05/49/58/1152054958.db2.gz NBKCRHZINYQWNC-SOUVJXGZSA-N 2 1 321.425 2.028 20 5 DEBDMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164634075 719232726 /nfs/dbraw/zinc/23/27/26/719232726.db2.gz FNDVQKPHIAZHCB-AMRKSYTLSA-N 2 1 319.409 2.051 20 5 DEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164634075 719232730 /nfs/dbraw/zinc/23/27/30/719232730.db2.gz FNDVQKPHIAZHCB-AMRKSYTLSA-N 2 1 319.409 2.051 20 5 DEBDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169024559 785018155 /nfs/dbraw/zinc/01/81/55/785018155.db2.gz XBWBNSPWHVYECM-CABCVRRESA-N 2 1 318.421 2.374 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+]CCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC001170296635 786892531 /nfs/dbraw/zinc/89/25/31/786892531.db2.gz HDIMVWOIOMGWKC-GFCCVEGCSA-N 2 1 318.377 2.329 20 5 DEBDMP C[C@@H](OCCC[N+](C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224622706 802886636 /nfs/dbraw/zinc/88/66/36/802886636.db2.gz IXZCQHIKEMSINO-IEBWSBKVSA-N 2 1 321.485 2.389 20 5 DEBDMP C[C@@H](OCCC[N+](C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224622706 802886638 /nfs/dbraw/zinc/88/66/38/802886638.db2.gz IXZCQHIKEMSINO-IEBWSBKVSA-N 2 1 321.485 2.389 20 5 DEBDMP [NH3+]C[C@]1(F)CCC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552863 1140957818 /nfs/dbraw/zinc/95/78/18/1140957818.db2.gz WDCOBCOSBGQWQI-HOTGVXAUSA-N 2 1 307.369 2.215 20 5 DEBDMP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569185 1143255892 /nfs/dbraw/zinc/25/58/92/1143255892.db2.gz IXYUOKGIIBUYGS-CWRNSKLLSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569185 1143255924 /nfs/dbraw/zinc/25/59/24/1143255924.db2.gz IXYUOKGIIBUYGS-CWRNSKLLSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569185 1143255962 /nfs/dbraw/zinc/25/59/62/1143255962.db2.gz IXYUOKGIIBUYGS-CWRNSKLLSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569185 1143255984 /nfs/dbraw/zinc/25/59/84/1143255984.db2.gz IXYUOKGIIBUYGS-CWRNSKLLSA-N 2 1 303.406 2.409 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001254574172 1143258968 /nfs/dbraw/zinc/25/89/68/1143258968.db2.gz GNRMKRFXLMNMQN-OAHLLOKOSA-N 2 1 301.390 2.278 20 5 DEBDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060436 530065083 /nfs/dbraw/zinc/06/50/83/530065083.db2.gz UQSLAGMIDZLQTC-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060436 530065084 /nfs/dbraw/zinc/06/50/84/530065084.db2.gz UQSLAGMIDZLQTC-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060436 530065085 /nfs/dbraw/zinc/06/50/85/530065085.db2.gz UQSLAGMIDZLQTC-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060436 530065086 /nfs/dbraw/zinc/06/50/86/530065086.db2.gz UQSLAGMIDZLQTC-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000601118299 359927514 /nfs/dbraw/zinc/92/75/14/359927514.db2.gz CETLDPVMAHSSFB-NWDGAFQWSA-N 2 1 300.362 2.460 20 5 DEBDMP C[C@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000601118299 359927519 /nfs/dbraw/zinc/92/75/19/359927519.db2.gz CETLDPVMAHSSFB-NWDGAFQWSA-N 2 1 300.362 2.460 20 5 DEBDMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268873191 207042642 /nfs/dbraw/zinc/04/26/42/207042642.db2.gz VVHOZCMNBDBALH-IRXDYDNUSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173288 285111499 /nfs/dbraw/zinc/11/14/99/285111499.db2.gz CCXLFGQWGWZZPM-DVOMOZLQSA-N 2 1 307.394 2.292 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922506 145144867 /nfs/dbraw/zinc/14/48/67/145144867.db2.gz BIJDQZAUICEYQO-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922506 145144868 /nfs/dbraw/zinc/14/48/68/145144868.db2.gz BIJDQZAUICEYQO-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922506 145144870 /nfs/dbraw/zinc/14/48/70/145144870.db2.gz BIJDQZAUICEYQO-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127356158 401730483 /nfs/dbraw/zinc/73/04/83/401730483.db2.gz UZYNMICTJIVJRU-ZDUSSCGKSA-N 2 1 305.378 2.177 20 5 DEBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127356158 401730484 /nfs/dbraw/zinc/73/04/84/401730484.db2.gz UZYNMICTJIVJRU-ZDUSSCGKSA-N 2 1 305.378 2.177 20 5 DEBDMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998481 403237829 /nfs/dbraw/zinc/23/78/29/403237829.db2.gz HSFOOKBSJGZVQR-GLQYFDAESA-N 2 1 304.394 2.454 20 5 DEBDMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158175 403250317 /nfs/dbraw/zinc/25/03/17/403250317.db2.gz PRUBWDDFHZOSLH-NWDGAFQWSA-N 2 1 304.394 2.312 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351497518 404610004 /nfs/dbraw/zinc/61/00/04/404610004.db2.gz UAMAMZCBXUCIIN-NILFDRSVSA-N 2 1 305.378 2.163 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351497518 404610008 /nfs/dbraw/zinc/61/00/08/404610008.db2.gz UAMAMZCBXUCIIN-NILFDRSVSA-N 2 1 305.378 2.163 20 5 DEBDMP C[C@H](C[NH3+])C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414888162 404758717 /nfs/dbraw/zinc/75/87/17/404758717.db2.gz ZSVNZUAJWGQHAL-SNVBAGLBSA-N 2 1 306.391 2.403 20 5 DEBDMP COC[C@]1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952878 404774416 /nfs/dbraw/zinc/77/44/16/404774416.db2.gz ITQGRMKZHDNHNV-WMLDXEAASA-N 2 1 321.421 2.274 20 5 DEBDMP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559425 405457128 /nfs/dbraw/zinc/45/71/28/405457128.db2.gz SWXFGXHRSGLELH-CHWSQXEVSA-N 2 1 323.393 2.041 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559425 405457130 /nfs/dbraw/zinc/45/71/30/405457130.db2.gz SWXFGXHRSGLELH-CHWSQXEVSA-N 2 1 323.393 2.041 20 5 DEBDMP CCC[NH2+]CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841046615 641480714 /nfs/dbraw/zinc/48/07/14/641480714.db2.gz JLDAOPGPJXGKHG-UHFFFAOYSA-N 2 1 306.410 2.153 20 5 DEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984352 647557732 /nfs/dbraw/zinc/55/77/32/647557732.db2.gz FJVCOHQLIQNBPN-WMLDXEAASA-N 2 1 321.421 2.338 20 5 DEBDMP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000863545235 686518907 /nfs/dbraw/zinc/51/89/07/686518907.db2.gz MHRSHTMGUAYBGY-UKRRQHHQSA-N 2 1 318.421 2.294 20 5 DEBDMP O=[N+]([O-])CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000930134707 694097382 /nfs/dbraw/zinc/09/73/82/694097382.db2.gz SUBCSJJUPCDXMZ-UHFFFAOYSA-N 2 1 303.406 2.251 20 5 DEBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC001656891108 1080135151 /nfs/dbraw/zinc/13/51/51/1080135151.db2.gz JQXAFIUBDLYEDO-DLBZAZTESA-N 2 1 319.405 2.062 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486610 1141857982 /nfs/dbraw/zinc/85/79/82/1141857982.db2.gz FICWHFKXMNXNQG-COXVUDFISA-N 2 1 321.421 2.290 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486610 1141857983 /nfs/dbraw/zinc/85/79/83/1141857983.db2.gz FICWHFKXMNXNQG-COXVUDFISA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486610 1141857985 /nfs/dbraw/zinc/85/79/85/1141857985.db2.gz FICWHFKXMNXNQG-COXVUDFISA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486610 1141857986 /nfs/dbraw/zinc/85/79/86/1141857986.db2.gz FICWHFKXMNXNQG-COXVUDFISA-N 2 1 321.421 2.290 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486612 1141858230 /nfs/dbraw/zinc/85/82/30/1141858230.db2.gz FICWHFKXMNXNQG-RRQGHBQHSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486612 1141858232 /nfs/dbraw/zinc/85/82/32/1141858232.db2.gz FICWHFKXMNXNQG-RRQGHBQHSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486612 1141858233 /nfs/dbraw/zinc/85/82/33/1141858233.db2.gz FICWHFKXMNXNQG-RRQGHBQHSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486612 1141858236 /nfs/dbraw/zinc/85/82/36/1141858236.db2.gz FICWHFKXMNXNQG-RRQGHBQHSA-N 2 1 321.421 2.290 20 5 DEBDMP COc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424684 357874535 /nfs/dbraw/zinc/87/45/35/357874535.db2.gz TZZAUFUVESWTRP-UHFFFAOYSA-N 2 1 305.378 2.320 20 5 DEBDMP COc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592424684 357874537 /nfs/dbraw/zinc/87/45/37/357874537.db2.gz TZZAUFUVESWTRP-UHFFFAOYSA-N 2 1 305.378 2.320 20 5 DEBDMP C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733993 358132504 /nfs/dbraw/zinc/13/25/04/358132504.db2.gz QOKJWHZYAUOPSI-CJNGLKHVSA-N 2 1 307.394 2.423 20 5 DEBDMP C[C@@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000423087473 533442077 /nfs/dbraw/zinc/44/20/77/533442077.db2.gz OFYNOKDNNMUTBM-MRVPVSSYSA-N 2 1 303.284 2.311 20 5 DEBDMP C[C@H]([NH2+]C[C@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536884 133277119 /nfs/dbraw/zinc/27/71/19/133277119.db2.gz FLROCLRCMSMQHU-MAZHCROVSA-N 2 1 305.378 2.109 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295551 148083356 /nfs/dbraw/zinc/08/33/56/148083356.db2.gz SIRSWVNJJMBNEU-IXDOHACOSA-N 2 1 319.405 2.278 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295551 148083360 /nfs/dbraw/zinc/08/33/60/148083360.db2.gz SIRSWVNJJMBNEU-IXDOHACOSA-N 2 1 319.405 2.278 20 5 DEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000344790328 404369749 /nfs/dbraw/zinc/36/97/49/404369749.db2.gz IKWPBWBYYPXOOK-RKCSUWQLSA-N 2 1 319.405 2.044 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000414789789 404736495 /nfs/dbraw/zinc/73/64/95/404736495.db2.gz OPEWHSQUEQEEEF-CVEARBPZSA-N 2 1 323.368 2.062 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296485 405751311 /nfs/dbraw/zinc/75/13/11/405751311.db2.gz HALFHFIHBLLYTQ-GXTWGEPZSA-N 2 1 322.409 2.419 20 5 DEBDMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940170 406460376 /nfs/dbraw/zinc/46/03/76/406460376.db2.gz QHQOATCMWYMZSR-WBVHZDCISA-N 2 1 321.421 2.087 20 5 DEBDMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940170 406460379 /nfs/dbraw/zinc/46/03/79/406460379.db2.gz QHQOATCMWYMZSR-WBVHZDCISA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940170 406460380 /nfs/dbraw/zinc/46/03/80/406460380.db2.gz QHQOATCMWYMZSR-WBVHZDCISA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940170 406460383 /nfs/dbraw/zinc/46/03/83/406460383.db2.gz QHQOATCMWYMZSR-WBVHZDCISA-N 2 1 321.421 2.087 20 5 DEBDMP Cc1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423077008 230341226 /nfs/dbraw/zinc/34/12/26/230341226.db2.gz KZSCBEASEPLNTC-XHSDSOJGSA-N 2 1 319.405 2.150 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968056 640145277 /nfs/dbraw/zinc/14/52/77/640145277.db2.gz UWXRSOGBEUFPFK-GOEBONIOSA-N 2 1 307.394 2.044 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968056 640145281 /nfs/dbraw/zinc/14/52/81/640145281.db2.gz UWXRSOGBEUFPFK-GOEBONIOSA-N 2 1 307.394 2.044 20 5 DEBDMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905131691 643806464 /nfs/dbraw/zinc/80/64/64/643806464.db2.gz HNWQQPWPSZAJDW-UHFFFAOYSA-N 2 1 303.362 2.278 20 5 DEBDMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907129 647379091 /nfs/dbraw/zinc/37/90/91/647379091.db2.gz KJUSNKGKDSYISD-WFBYXXMGSA-N 2 1 313.785 2.090 20 5 DEBDMP CC[N@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849092692 651600754 /nfs/dbraw/zinc/60/07/54/651600754.db2.gz AAXFIDFORBKLGX-CQSZACIVSA-N 2 1 319.409 2.001 20 5 DEBDMP COc1ccc(C[C@H](C)[NH+]2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170313266 786904341 /nfs/dbraw/zinc/90/43/41/786904341.db2.gz KCSAURNZRHTNJV-LBPRGKRZSA-N 2 1 307.394 2.348 20 5 DEBDMP C[N@@H+]1CCc2c(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc([N+](=O)[O-])c2C1 ZINC001162987598 799215852 /nfs/dbraw/zinc/21/58/52/799215852.db2.gz JNZHBHHXJQORKW-DLBZAZTESA-N 2 1 316.405 2.279 20 5 DEBDMP C[N@H+]1CCc2c(N[C@@]34CCC[C@@H]3[NH2+]CC4)ccc([N+](=O)[O-])c2C1 ZINC001162987598 799215857 /nfs/dbraw/zinc/21/58/57/799215857.db2.gz JNZHBHHXJQORKW-DLBZAZTESA-N 2 1 316.405 2.279 20 5 DEBDMP C[N+](C)(C)CCCOC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001224623108 802886654 /nfs/dbraw/zinc/88/66/54/802886654.db2.gz LEWOLCSEHSKZCO-LJQANCHMSA-N 2 1 321.485 2.390 20 5 DEBDMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@@H]1C[NH3+] ZINC001246566808 1140971127 /nfs/dbraw/zinc/97/11/27/1140971127.db2.gz JRJJTZVAPOVNAY-SUYBPPKGSA-N 2 1 303.406 2.369 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486613 1141858083 /nfs/dbraw/zinc/85/80/83/1141858083.db2.gz FICWHFKXMNXNQG-XOKHGSTOSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486613 1141858084 /nfs/dbraw/zinc/85/80/84/1141858084.db2.gz FICWHFKXMNXNQG-XOKHGSTOSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486613 1141858087 /nfs/dbraw/zinc/85/80/87/1141858087.db2.gz FICWHFKXMNXNQG-XOKHGSTOSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC001323486613 1141858088 /nfs/dbraw/zinc/85/80/88/1141858088.db2.gz FICWHFKXMNXNQG-XOKHGSTOSA-N 2 1 321.421 2.290 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2[nH+]ccn2CC1 ZINC001254566832 1143251155 /nfs/dbraw/zinc/25/11/55/1143251155.db2.gz UNQMVVGCBHAKPA-ZDUSSCGKSA-N 2 1 300.362 2.281 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001254566832 1143251160 /nfs/dbraw/zinc/25/11/60/1143251160.db2.gz UNQMVVGCBHAKPA-ZDUSSCGKSA-N 2 1 300.362 2.281 20 5 DEBDMP CC[NH+](CC)CC1CC[NH+](Cc2onc(C)c2[N+](=O)[O-])CC1 ZINC000595290122 358413938 /nfs/dbraw/zinc/41/39/38/358413938.db2.gz JXLCOBLPPZQSFA-UHFFFAOYSA-N 2 1 310.398 2.445 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000449154576 240136501 /nfs/dbraw/zinc/13/65/01/240136501.db2.gz NPUOCVOGAOGKJU-AWEZNQCLSA-N 2 1 321.421 2.226 20 5 DEBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158643921 197290600 /nfs/dbraw/zinc/29/06/00/197290600.db2.gz BZBINYHTUCKGBE-GJZGRUSLSA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158643921 197290602 /nfs/dbraw/zinc/29/06/02/197290602.db2.gz BZBINYHTUCKGBE-GJZGRUSLSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158643921 197290604 /nfs/dbraw/zinc/29/06/04/197290604.db2.gz BZBINYHTUCKGBE-GJZGRUSLSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158643921 197290606 /nfs/dbraw/zinc/29/06/06/197290606.db2.gz BZBINYHTUCKGBE-GJZGRUSLSA-N 2 1 319.405 2.390 20 5 DEBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248183242 145150194 /nfs/dbraw/zinc/15/01/94/145150194.db2.gz WVRZMDCXBROBBG-YOEHRIQHSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)c1c[nH+]ccc1N ZINC000565474662 292164235 /nfs/dbraw/zinc/16/42/35/292164235.db2.gz INMCYUQLIBDRJS-LLVKDONJSA-N 2 1 302.334 2.132 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000566414389 292236432 /nfs/dbraw/zinc/23/64/32/292236432.db2.gz ZPMBPJDPRHWLPP-CHWSQXEVSA-N 2 1 320.393 2.043 20 5 DEBDMP CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435615166 404995426 /nfs/dbraw/zinc/99/54/26/404995426.db2.gz GVBQOGNOEQVWBE-AWEZNQCLSA-N 2 1 307.394 2.438 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397393907 269106117 /nfs/dbraw/zinc/10/61/17/269106117.db2.gz ORMDRNJIRZKXTR-OBJOEFQTSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397393907 269106119 /nfs/dbraw/zinc/10/61/19/269106119.db2.gz ORMDRNJIRZKXTR-OBJOEFQTSA-N 2 1 307.394 2.409 20 5 DEBDMP [NH3+]CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000923351847 637133718 /nfs/dbraw/zinc/13/37/18/637133718.db2.gz CEZLULOLZXQECX-KRWDZBQOSA-N 2 1 321.421 2.469 20 5 DEBDMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592464 642190513 /nfs/dbraw/zinc/19/05/13/642190513.db2.gz ORSXWOWPGZFTST-QGZVFWFLSA-N 2 1 321.421 2.434 20 5 DEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592464 642190514 /nfs/dbraw/zinc/19/05/14/642190514.db2.gz ORSXWOWPGZFTST-QGZVFWFLSA-N 2 1 321.421 2.434 20 5 DEBDMP O=[N+]([O-])CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000905382060 643882852 /nfs/dbraw/zinc/88/28/52/643882852.db2.gz PVCZZRYHXFMQBJ-INIZCTEOSA-N 2 1 303.406 2.155 20 5 DEBDMP O=[N+]([O-])CC[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000905382060 643882854 /nfs/dbraw/zinc/88/28/54/643882854.db2.gz PVCZZRYHXFMQBJ-INIZCTEOSA-N 2 1 303.406 2.155 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000819354979 647642168 /nfs/dbraw/zinc/64/21/68/647642168.db2.gz NRVOBJQXTKIFIU-KRWDZBQOSA-N 2 1 319.405 2.235 20 5 DEBDMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819363306 647644077 /nfs/dbraw/zinc/64/40/77/647644077.db2.gz VKVYKSIINSRGSS-INIZCTEOSA-N 2 1 307.394 2.092 20 5 DEBDMP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000863545234 686519015 /nfs/dbraw/zinc/51/90/15/686519015.db2.gz MHRSHTMGUAYBGY-HIFRSBDPSA-N 2 1 318.421 2.294 20 5 DEBDMP O=[N+]([O-])CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930565434 694191182 /nfs/dbraw/zinc/19/11/82/694191182.db2.gz WJJRJBNAWKCDSS-UHFFFAOYSA-N 2 1 303.406 2.251 20 5 DEBDMP CN(C)c1cc[nH+]cc1C[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC001200127722 798591162 /nfs/dbraw/zinc/59/11/62/798591162.db2.gz YZMHAYVWKFKWJQ-UHFFFAOYSA-N 2 1 316.361 2.224 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001165076350 799646300 /nfs/dbraw/zinc/64/63/00/799646300.db2.gz HUQUFSSRLOYATI-KGXGESDWSA-N 2 1 319.409 2.053 20 5 DEBDMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268839031 207004250 /nfs/dbraw/zinc/00/42/50/207004250.db2.gz MWSSRSLUVLZEOJ-HZPDHXFCSA-N 2 1 307.394 2.092 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262079590 145259976 /nfs/dbraw/zinc/25/99/76/145259976.db2.gz HAOUTEMFZXTNJH-NILFDRSVSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262079590 145259978 /nfs/dbraw/zinc/25/99/78/145259978.db2.gz HAOUTEMFZXTNJH-NILFDRSVSA-N 2 1 305.378 2.163 20 5 DEBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000565158442 292138477 /nfs/dbraw/zinc/13/84/77/292138477.db2.gz UNWBXQGPXTXDQA-YPMHNXCESA-N 2 1 320.393 2.043 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337822174 404261757 /nfs/dbraw/zinc/26/17/57/404261757.db2.gz UZIJKBXRHWYFKJ-KGLIPLIRSA-N 2 1 305.378 2.320 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337822174 404261767 /nfs/dbraw/zinc/26/17/67/404261767.db2.gz UZIJKBXRHWYFKJ-KGLIPLIRSA-N 2 1 305.378 2.320 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342100370 404367890 /nfs/dbraw/zinc/36/78/90/404367890.db2.gz JZSBAGHDLFVLDV-BFHYXJOUSA-N 2 1 305.378 2.033 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923328948 637112162 /nfs/dbraw/zinc/11/21/62/637112162.db2.gz NNOIRSGAXUSGLM-HYVNUMGLSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923328948 637112165 /nfs/dbraw/zinc/11/21/65/637112165.db2.gz NNOIRSGAXUSGLM-HYVNUMGLSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584678 642188627 /nfs/dbraw/zinc/18/86/27/642188627.db2.gz OLZMPYXULCPEMV-YOEHRIQHSA-N 2 1 319.405 2.046 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584678 642188633 /nfs/dbraw/zinc/18/86/33/642188633.db2.gz OLZMPYXULCPEMV-YOEHRIQHSA-N 2 1 319.405 2.046 20 5 DEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000843360572 650957093 /nfs/dbraw/zinc/95/70/93/650957093.db2.gz DGSYJJDVQVXCMJ-AGUYFDCRSA-N 2 1 305.378 2.318 20 5 DEBDMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907127 647378896 /nfs/dbraw/zinc/37/88/96/647378896.db2.gz KJUSNKGKDSYISD-DUFXMDAXSA-N 2 1 313.785 2.090 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165035923 721895052 /nfs/dbraw/zinc/89/50/52/721895052.db2.gz PVIBSDMHEAETRU-KGXGESDWSA-N 2 1 319.409 2.053 20 5 DEBDMP COc1ccc(C[C@@H](C)n2cc[nH+]c2CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170326895 786909330 /nfs/dbraw/zinc/90/93/30/786909330.db2.gz CDSIZHCABOMAGE-GFCCVEGCSA-N 2 1 318.377 2.495 20 5 DEBDMP C[N+](C)(C)CCOC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001224775696 802902356 /nfs/dbraw/zinc/90/23/56/802902356.db2.gz MWEGDKIPGNYHCH-GOSISDBHSA-N 2 1 307.458 2.000 20 5 DEBDMP CC(C)C[N@H+](C)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335461879 1150424401 /nfs/dbraw/zinc/42/44/01/1150424401.db2.gz ZQTNZGZPUKIFMZ-INIZCTEOSA-N 2 1 309.410 2.196 20 5 DEBDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335461879 1150424415 /nfs/dbraw/zinc/42/44/15/1150424415.db2.gz ZQTNZGZPUKIFMZ-INIZCTEOSA-N 2 1 309.410 2.196 20 5 DEBDMP CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592487920 357885322 /nfs/dbraw/zinc/88/53/22/357885322.db2.gz CCPBEZLSETTWKY-OCCSQVGLSA-N 2 1 323.393 2.041 20 5 DEBDMP CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592487920 357885328 /nfs/dbraw/zinc/88/53/28/357885328.db2.gz CCPBEZLSETTWKY-OCCSQVGLSA-N 2 1 323.393 2.041 20 5 DEBDMP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)cc1[N+](=O)[O-] ZINC000593318656 358053581 /nfs/dbraw/zinc/05/35/81/358053581.db2.gz REZXRRCXYOWHCZ-UHFFFAOYSA-N 2 1 319.336 2.491 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443060365 238102471 /nfs/dbraw/zinc/10/24/71/238102471.db2.gz OXMITGCIJIYLHE-ZDUSSCGKSA-N 2 1 323.393 2.043 20 5 DEBDMP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536886 133277451 /nfs/dbraw/zinc/27/74/51/133277451.db2.gz FLROCLRCMSMQHU-VBNZEHGJSA-N 2 1 305.378 2.109 20 5 DEBDMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1[N+](=O)[O-] ZINC000264342909 402869710 /nfs/dbraw/zinc/86/97/10/402869710.db2.gz OCABWLFRSPCGLD-UHFFFAOYSA-N 2 1 304.350 2.288 20 5 DEBDMP COc1ccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435620633 404997247 /nfs/dbraw/zinc/99/72/47/404997247.db2.gz DUKOHFPJMNFFBL-CYBMUJFWSA-N 2 1 323.393 2.056 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000447543008 405417557 /nfs/dbraw/zinc/41/75/57/405417557.db2.gz KOAANDXTSIUVAW-KBUPBQIOSA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000447543008 405417560 /nfs/dbraw/zinc/41/75/60/405417560.db2.gz KOAANDXTSIUVAW-KBUPBQIOSA-N 2 1 321.425 2.347 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423297500 405751292 /nfs/dbraw/zinc/75/12/92/405751292.db2.gz KNNJGJAQLBBVJI-MGPQQGTHSA-N 2 1 309.414 2.382 20 5 DEBDMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734870 406024669 /nfs/dbraw/zinc/02/46/69/406024669.db2.gz OSJCAYLHNBANSL-CYBMUJFWSA-N 2 1 307.394 2.425 20 5 DEBDMP C[C@H]([NH2+]Cc1cc([N+](=O)[O-])cc(C(F)(F)F)c1)C1C[NH2+]C1 ZINC000423087474 533912310 /nfs/dbraw/zinc/91/23/10/533912310.db2.gz OFYNOKDNNMUTBM-QMMMGPOBSA-N 2 1 303.284 2.311 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923328946 637112016 /nfs/dbraw/zinc/11/20/16/637112016.db2.gz NNOIRSGAXUSGLM-DJIMGWMZSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923328946 637112018 /nfs/dbraw/zinc/11/20/18/637112018.db2.gz NNOIRSGAXUSGLM-DJIMGWMZSA-N 2 1 319.405 2.092 20 5 DEBDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058034 650416954 /nfs/dbraw/zinc/41/69/54/650416954.db2.gz FRRVVNKJNNIRDF-GUYCJALGSA-N 2 1 318.421 2.151 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCCC[NH2+]2)n1 ZINC000902482398 643056774 /nfs/dbraw/zinc/05/67/74/643056774.db2.gz KQQMTQQRUGIXSP-RRFJBIMHSA-N 2 1 321.425 2.397 20 5 DEBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151864 647595382 /nfs/dbraw/zinc/59/53/82/647595382.db2.gz GRDBASGZAFHGIJ-WMLDXEAASA-N 2 1 321.421 2.196 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329574 786910731 /nfs/dbraw/zinc/91/07/31/786910731.db2.gz RQGLXRAGXBPOHE-WWGRRREGSA-N 2 1 321.421 2.464 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329574 786910732 /nfs/dbraw/zinc/91/07/32/786910732.db2.gz RQGLXRAGXBPOHE-WWGRRREGSA-N 2 1 321.421 2.464 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@H]2C[NH+]3CCC2CC3)ncc1[N+](=O)[O-] ZINC001155667838 797822671 /nfs/dbraw/zinc/82/26/71/797822671.db2.gz NZKZAMXNCRBVMO-ZRFDWSJLSA-N 2 1 317.393 2.028 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ncc1[N+](=O)[O-] ZINC001159538246 798579532 /nfs/dbraw/zinc/57/95/32/798579532.db2.gz NPHVKBJDGDGPFH-VFZNBBLXSA-N 2 1 305.382 2.204 20 5 DEBDMP C[N@@H+]1CCc2c(N[C@@H]3CCC[C@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404584 799079882 /nfs/dbraw/zinc/07/98/82/799079882.db2.gz OMUSWNPXSCPLTI-NWDGAFQWSA-N 2 1 304.394 2.265 20 5 DEBDMP C[N@H+]1CCc2c(N[C@@H]3CCC[C@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404584 799079890 /nfs/dbraw/zinc/07/98/90/799079890.db2.gz OMUSWNPXSCPLTI-NWDGAFQWSA-N 2 1 304.394 2.265 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001580874545 1076010382 /nfs/dbraw/zinc/01/03/82/1076010382.db2.gz ALEMTMBNIFCWPO-IAGOWNOFSA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001580874545 1076010385 /nfs/dbraw/zinc/01/03/85/1076010385.db2.gz ALEMTMBNIFCWPO-IAGOWNOFSA-N 2 1 319.405 2.094 20 5 DEBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246098302 1140861044 /nfs/dbraw/zinc/86/10/44/1140861044.db2.gz QQBKXVVMAGJKBG-VMGRFDJRSA-N 2 1 303.406 2.430 20 5 DEBDMP C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254577007 1143260239 /nfs/dbraw/zinc/26/02/39/1143260239.db2.gz BFJZADWNYFPTJH-LVQVYYBASA-N 2 1 301.390 2.277 20 5 DEBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777340 529928396 /nfs/dbraw/zinc/92/83/96/529928396.db2.gz IDDUQRPOCXCZAS-PBWFPOADSA-N 2 1 305.378 2.188 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCC[NH2+]2)n1 ZINC000591578064 357737780 /nfs/dbraw/zinc/73/77/80/357737780.db2.gz SNPVINRACIMXDI-HZSPNIEDSA-N 2 1 307.398 2.007 20 5 DEBDMP CC[C@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592487919 357884922 /nfs/dbraw/zinc/88/49/22/357884922.db2.gz CCPBEZLSETTWKY-JSGCOSHPSA-N 2 1 323.393 2.041 20 5 DEBDMP CC[C@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@@H]1[NH3+] ZINC000592487919 357884925 /nfs/dbraw/zinc/88/49/25/357884925.db2.gz CCPBEZLSETTWKY-JSGCOSHPSA-N 2 1 323.393 2.041 20 5 DEBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315376 358053236 /nfs/dbraw/zinc/05/32/36/358053236.db2.gz IZKROUMLSFMGHE-ZMSDIMECSA-N 2 1 319.405 2.313 20 5 DEBDMP C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730822 358132901 /nfs/dbraw/zinc/13/29/01/358132901.db2.gz HQRRIIQLWVIPPB-KBPBESRZSA-N 2 1 307.394 2.423 20 5 DEBDMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000601118301 359928384 /nfs/dbraw/zinc/92/83/84/359928384.db2.gz CETLDPVMAHSSFB-VXGBXAGGSA-N 2 1 300.362 2.460 20 5 DEBDMP C[C@@H]1C[C@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000601118301 359928386 /nfs/dbraw/zinc/92/83/86/359928386.db2.gz CETLDPVMAHSSFB-VXGBXAGGSA-N 2 1 300.362 2.460 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443060364 238100847 /nfs/dbraw/zinc/10/08/47/238100847.db2.gz OXMITGCIJIYLHE-CYBMUJFWSA-N 2 1 323.393 2.043 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262305366 145274876 /nfs/dbraw/zinc/27/48/76/145274876.db2.gz PAQFRJVCZJRDAH-IHRRRGAJSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262305366 145274879 /nfs/dbraw/zinc/27/48/79/145274879.db2.gz PAQFRJVCZJRDAH-IHRRRGAJSA-N 2 1 305.378 2.163 20 5 DEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000152474636 402097275 /nfs/dbraw/zinc/09/72/75/402097275.db2.gz MGLXIFOZUUWGJM-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@H+](C)C1 ZINC000152474636 402097278 /nfs/dbraw/zinc/09/72/78/402097278.db2.gz MGLXIFOZUUWGJM-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152474636 402097281 /nfs/dbraw/zinc/09/72/81/402097281.db2.gz MGLXIFOZUUWGJM-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420325095 405319934 /nfs/dbraw/zinc/31/99/34/405319934.db2.gz HZQMHHKBJPXIOL-UHFFFAOYSA-N 2 1 320.393 2.045 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420325095 405319936 /nfs/dbraw/zinc/31/99/36/405319936.db2.gz HZQMHHKBJPXIOL-UHFFFAOYSA-N 2 1 320.393 2.045 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344232 405327204 /nfs/dbraw/zinc/32/72/04/405327204.db2.gz SEVIPROSHNBCKB-ZIAGYGMSSA-N 2 1 319.405 2.425 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430574904 405460535 /nfs/dbraw/zinc/46/05/35/405460535.db2.gz URDBQGZLWMMSKR-MRXNPFEDSA-N 2 1 322.409 2.195 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279094 642152704 /nfs/dbraw/zinc/15/27/04/642152704.db2.gz VOXNUIBTJJKKJN-HYVNUMGLSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279094 642152705 /nfs/dbraw/zinc/15/27/05/642152705.db2.gz VOXNUIBTJJKKJN-HYVNUMGLSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279094 642152706 /nfs/dbraw/zinc/15/27/06/642152706.db2.gz VOXNUIBTJJKKJN-HYVNUMGLSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000776279094 642152708 /nfs/dbraw/zinc/15/27/08/642152708.db2.gz VOXNUIBTJJKKJN-HYVNUMGLSA-N 2 1 319.405 2.044 20 5 DEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984205 647557794 /nfs/dbraw/zinc/55/77/94/647557794.db2.gz ANRBDLOREQZVAU-RHSMWYFYSA-N 2 1 321.421 2.338 20 5 DEBDMP COCCC[NH+]1CCC([NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873037301 689145894 /nfs/dbraw/zinc/14/58/94/689145894.db2.gz STLIKBMMVIVXCH-UHFFFAOYSA-N 2 1 321.421 2.494 20 5 DEBDMP C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164634079 719232157 /nfs/dbraw/zinc/23/21/57/719232157.db2.gz FNDVQKPHIAZHCB-ZSBJFDRYSA-N 2 1 319.409 2.051 20 5 DEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)CN1c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164634079 719232161 /nfs/dbraw/zinc/23/21/61/719232161.db2.gz FNDVQKPHIAZHCB-ZSBJFDRYSA-N 2 1 319.409 2.051 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001331980201 1149803374 /nfs/dbraw/zinc/80/33/74/1149803374.db2.gz GIGAXFJCYQTGTF-SFESLNEESA-N 2 1 301.390 2.484 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246932014 1141141669 /nfs/dbraw/zinc/14/16/69/1141141669.db2.gz ONNSRAKOICFTLI-CWRNSKLLSA-N 2 1 303.406 2.457 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001254559971 1143248561 /nfs/dbraw/zinc/24/85/61/1143248561.db2.gz DFXGWQYXEMTBJU-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001254559971 1143248568 /nfs/dbraw/zinc/24/85/68/1143248568.db2.gz DFXGWQYXEMTBJU-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001254559971 1143248585 /nfs/dbraw/zinc/24/85/85/1143248585.db2.gz DFXGWQYXEMTBJU-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277201870 213363398 /nfs/dbraw/zinc/36/33/98/213363398.db2.gz MQUPLGUHHPCJJQ-AWEZNQCLSA-N 2 1 307.394 2.390 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277201870 213363402 /nfs/dbraw/zinc/36/34/02/213363402.db2.gz MQUPLGUHHPCJJQ-AWEZNQCLSA-N 2 1 307.394 2.390 20 5 DEBDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858471 191240429 /nfs/dbraw/zinc/24/04/29/191240429.db2.gz FHTANZRZMLEGOO-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858471 191240432 /nfs/dbraw/zinc/24/04/32/191240432.db2.gz FHTANZRZMLEGOO-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858471 191240434 /nfs/dbraw/zinc/24/04/34/191240434.db2.gz FHTANZRZMLEGOO-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858471 191240438 /nfs/dbraw/zinc/24/04/38/191240438.db2.gz FHTANZRZMLEGOO-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089580593 355536464 /nfs/dbraw/zinc/53/64/64/355536464.db2.gz SLUMTNICRHSBHN-CZUORRHYSA-N 2 1 307.394 2.294 20 5 DEBDMP C[N@@H+]1CCC[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601115581 359926563 /nfs/dbraw/zinc/92/65/63/359926563.db2.gz JCHQNZZSIBKSFI-LBPRGKRZSA-N 2 1 300.362 2.319 20 5 DEBDMP C[N@H+]1CCC[C@@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601115581 359926565 /nfs/dbraw/zinc/92/65/65/359926565.db2.gz JCHQNZZSIBKSFI-LBPRGKRZSA-N 2 1 300.362 2.319 20 5 DEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000565990399 292195496 /nfs/dbraw/zinc/19/54/96/292195496.db2.gz WQKRFWRAYNUYKX-KGLIPLIRSA-N 2 1 318.381 2.070 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024165 403325115 /nfs/dbraw/zinc/32/51/15/403325115.db2.gz XBBOWMBNEFTXDR-IUODEOHRSA-N 2 1 305.378 2.217 20 5 DEBDMP C[N@H+]1CCC[C@@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024165 403325119 /nfs/dbraw/zinc/32/51/19/403325119.db2.gz XBBOWMBNEFTXDR-IUODEOHRSA-N 2 1 305.378 2.217 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000337822180 404262981 /nfs/dbraw/zinc/26/29/81/404262981.db2.gz UZIJKBXRHWYFKJ-ZIAGYGMSSA-N 2 1 305.378 2.320 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000337822180 404262984 /nfs/dbraw/zinc/26/29/84/404262984.db2.gz UZIJKBXRHWYFKJ-ZIAGYGMSSA-N 2 1 305.378 2.320 20 5 DEBDMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414784596 404734691 /nfs/dbraw/zinc/73/46/91/404734691.db2.gz INJFRUSAAYKLAY-HNNXBMFYSA-N 2 1 319.405 2.091 20 5 DEBDMP CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629478 404998800 /nfs/dbraw/zinc/99/88/00/404998800.db2.gz XQHRHKZFNAFNGI-AWEZNQCLSA-N 2 1 307.394 2.438 20 5 DEBDMP Cc1c(NC(=O)CC[N@@H+](C)C2(C[NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000420337812 405324540 /nfs/dbraw/zinc/32/45/40/405324540.db2.gz XDWMYBDRGAXBMI-UHFFFAOYSA-N 2 1 320.393 2.045 20 5 DEBDMP Cc1c(NC(=O)CC[N@H+](C)C2(C[NH3+])CCC2)cccc1[N+](=O)[O-] ZINC000420337812 405324543 /nfs/dbraw/zinc/32/45/43/405324543.db2.gz XDWMYBDRGAXBMI-UHFFFAOYSA-N 2 1 320.393 2.045 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358027389 536898777 /nfs/dbraw/zinc/89/87/77/536898777.db2.gz RBIADXIJEULZCW-MBNYWOFBSA-N 2 1 307.394 2.422 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358027389 536898778 /nfs/dbraw/zinc/89/87/78/536898778.db2.gz RBIADXIJEULZCW-MBNYWOFBSA-N 2 1 307.394 2.422 20 5 DEBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414723 637168102 /nfs/dbraw/zinc/16/81/02/637168102.db2.gz NIKWTBBROKPIAU-RDJZCZTQSA-N 2 1 321.421 2.325 20 5 DEBDMP COc1cc(CN2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000931435374 694394705 /nfs/dbraw/zinc/39/47/05/694394705.db2.gz CNIMSDPYGWBIBL-WCQYABFASA-N 2 1 323.368 2.126 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886870441 692217070 /nfs/dbraw/zinc/21/70/70/692217070.db2.gz YCQICHIMRUZQFG-QGZVFWFLSA-N 2 1 319.405 2.439 20 5 DEBDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168976471 784981455 /nfs/dbraw/zinc/98/14/55/784981455.db2.gz DBSLCECSPWNOIP-GDBMZVCRSA-N 2 1 318.421 2.394 20 5 DEBDMP CC[N@@H+]1CCCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1 ZINC001163776127 799428802 /nfs/dbraw/zinc/42/88/02/799428802.db2.gz GTPKFWVVFRNIBV-RMKNXTFCSA-N 2 1 319.409 2.054 20 5 DEBDMP CC[N@H+]1CCCN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)CC1 ZINC001163776127 799428806 /nfs/dbraw/zinc/42/88/06/799428806.db2.gz GTPKFWVVFRNIBV-RMKNXTFCSA-N 2 1 319.409 2.054 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC001461832104 1058722314 /nfs/dbraw/zinc/72/23/14/1058722314.db2.gz SAFQDRKDAURVDE-APHBMKBZSA-N 2 1 319.405 2.423 20 5 DEBDMP C[NH+](C)CCC[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476414 1143128450 /nfs/dbraw/zinc/12/84/50/1143128450.db2.gz QXVIANUOEHHDDE-UHFFFAOYSA-N 2 1 320.437 2.447 20 5 DEBDMP C[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465851 1143129384 /nfs/dbraw/zinc/12/93/84/1143129384.db2.gz NLBQLKQILATLJC-AWEZNQCLSA-N 2 1 318.421 2.105 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158777048 197301105 /nfs/dbraw/zinc/30/11/05/197301105.db2.gz BIJDQZAUICEYQO-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158777048 197301107 /nfs/dbraw/zinc/30/11/07/197301107.db2.gz BIJDQZAUICEYQO-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158777048 197301109 /nfs/dbraw/zinc/30/11/09/197301109.db2.gz BIJDQZAUICEYQO-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262305368 145275271 /nfs/dbraw/zinc/27/52/71/145275271.db2.gz PAQFRJVCZJRDAH-MJBXVCDLSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262305368 145275273 /nfs/dbraw/zinc/27/52/73/145275273.db2.gz PAQFRJVCZJRDAH-MJBXVCDLSA-N 2 1 305.378 2.163 20 5 DEBDMP C[C@H]1CC2(C[N@H+]1CCOc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424292887 405059265 /nfs/dbraw/zinc/05/92/65/405059265.db2.gz OOPIXRHQNIUVGK-AWEZNQCLSA-N 2 1 319.405 2.438 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344231 405326950 /nfs/dbraw/zinc/32/69/50/405326950.db2.gz SEVIPROSHNBCKB-UONOGXRCSA-N 2 1 319.405 2.425 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)CC(C)(C)C[NH3+] ZINC000430559237 405457202 /nfs/dbraw/zinc/45/72/02/405457202.db2.gz CCVMPWKWBXNAAE-UHFFFAOYSA-N 2 1 322.409 2.149 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000567910895 406158776 /nfs/dbraw/zinc/15/87/76/406158776.db2.gz JFANWQPGOWIHRN-OLZOCXBDSA-N 2 1 320.393 2.043 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027393 536898947 /nfs/dbraw/zinc/89/89/47/536898947.db2.gz RBIADXIJEULZCW-SGMGOOAPSA-N 2 1 307.394 2.422 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027393 536898948 /nfs/dbraw/zinc/89/89/48/536898948.db2.gz RBIADXIJEULZCW-SGMGOOAPSA-N 2 1 307.394 2.422 20 5 DEBDMP Cc1nn(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC000755775103 639586318 /nfs/dbraw/zinc/58/63/18/639586318.db2.gz MJMPCRGOIDCTGC-OAHLLOKOSA-N 2 1 321.425 2.029 20 5 DEBDMP Cc1nn(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)c1[N+](=O)[O-] ZINC000755775103 639586322 /nfs/dbraw/zinc/58/63/22/639586322.db2.gz MJMPCRGOIDCTGC-OAHLLOKOSA-N 2 1 321.425 2.029 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968058 640145115 /nfs/dbraw/zinc/14/51/15/640145115.db2.gz UWXRSOGBEUFPFK-HOCLYGCPSA-N 2 1 307.394 2.044 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968058 640145116 /nfs/dbraw/zinc/14/51/16/640145116.db2.gz UWXRSOGBEUFPFK-HOCLYGCPSA-N 2 1 307.394 2.044 20 5 DEBDMP Cc1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000852007170 652311248 /nfs/dbraw/zinc/31/12/48/652311248.db2.gz KGKMTOFOUNBMKZ-UHFFFAOYSA-N 2 1 308.382 2.199 20 5 DEBDMP C[NH+]1C[C@@]2(C)C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931310154 694364041 /nfs/dbraw/zinc/36/40/41/694364041.db2.gz IPOUKADNXIVKLT-IRXDYDNUSA-N 2 1 303.406 2.411 20 5 DEBDMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000886185818 692019793 /nfs/dbraw/zinc/01/97/93/692019793.db2.gz ITCZQLFFDPHDBQ-UHFFFAOYSA-N 2 1 304.394 2.298 20 5 DEBDMP C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1C ZINC001164634077 719232392 /nfs/dbraw/zinc/23/23/92/719232392.db2.gz FNDVQKPHIAZHCB-VWWYUBIBSA-N 2 1 319.409 2.051 20 5 DEBDMP C[C@@H]1CN(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC001164634077 719232395 /nfs/dbraw/zinc/23/23/95/719232395.db2.gz FNDVQKPHIAZHCB-VWWYUBIBSA-N 2 1 319.409 2.051 20 5 DEBDMP COc1ccc(C[C@@H](C)[N@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329328 786910565 /nfs/dbraw/zinc/91/05/65/786910565.db2.gz ONOPJQBKPGDTIG-CYBMUJFWSA-N 2 1 309.410 2.418 20 5 DEBDMP COc1ccc(C[C@@H](C)[N@@H+](C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170329328 786910572 /nfs/dbraw/zinc/91/05/72/786910572.db2.gz ONOPJQBKPGDTIG-CYBMUJFWSA-N 2 1 309.410 2.418 20 5 DEBDMP C[C@@H]1CC[C@@H](C[NH3+])CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164468288 799603818 /nfs/dbraw/zinc/60/38/18/799603818.db2.gz PZCSGDNMRWWDDV-VWWYUBIBSA-N 2 1 319.409 2.086 20 5 DEBDMP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001165448603 799733191 /nfs/dbraw/zinc/73/31/91/799733191.db2.gz FNDVQKPHIAZHCB-VFZNBBLXSA-N 2 1 319.409 2.051 20 5 DEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001165448603 799733194 /nfs/dbraw/zinc/73/31/94/799733194.db2.gz FNDVQKPHIAZHCB-VFZNBBLXSA-N 2 1 319.409 2.051 20 5 DEBDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060439 530059397 /nfs/dbraw/zinc/05/93/97/530059397.db2.gz UQSLAGMIDZLQTC-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060439 530059398 /nfs/dbraw/zinc/05/93/98/530059398.db2.gz UQSLAGMIDZLQTC-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060439 530059399 /nfs/dbraw/zinc/05/93/99/530059399.db2.gz UQSLAGMIDZLQTC-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000293060439 530059400 /nfs/dbraw/zinc/05/94/00/530059400.db2.gz UQSLAGMIDZLQTC-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCC[NH2+]2)n1 ZINC000591578066 357738369 /nfs/dbraw/zinc/73/83/69/357738369.db2.gz SNPVINRACIMXDI-MGPQQGTHSA-N 2 1 307.398 2.007 20 5 DEBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000595014158 358378486 /nfs/dbraw/zinc/37/84/86/358378486.db2.gz LOGUZOOLRKWKQW-NSHDSACASA-N 2 1 304.350 2.459 20 5 DEBDMP CC(C)[N@@H+](C)C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350991 358427540 /nfs/dbraw/zinc/42/75/40/358427540.db2.gz CZOOQIPRWXWTNA-KRWDZBQOSA-N 2 1 321.421 2.260 20 5 DEBDMP C[C@H]([NH2+]CCCN1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000266775358 402990631 /nfs/dbraw/zinc/99/06/31/402990631.db2.gz BUJHETWWGQUZPT-ZDUSSCGKSA-N 2 1 307.394 2.092 20 5 DEBDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277670773 403243664 /nfs/dbraw/zinc/24/36/64/403243664.db2.gz GDUFPVQHENXSHL-AWEZNQCLSA-N 2 1 307.394 2.185 20 5 DEBDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277670773 403243666 /nfs/dbraw/zinc/24/36/66/403243666.db2.gz GDUFPVQHENXSHL-AWEZNQCLSA-N 2 1 307.394 2.185 20 5 DEBDMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940168 406459809 /nfs/dbraw/zinc/45/98/09/406459809.db2.gz QHQOATCMWYMZSR-RDJZCZTQSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940168 406459813 /nfs/dbraw/zinc/45/98/13/406459813.db2.gz QHQOATCMWYMZSR-RDJZCZTQSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940168 406459817 /nfs/dbraw/zinc/45/98/17/406459817.db2.gz QHQOATCMWYMZSR-RDJZCZTQSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940168 406459822 /nfs/dbraw/zinc/45/98/22/406459822.db2.gz QHQOATCMWYMZSR-RDJZCZTQSA-N 2 1 321.421 2.087 20 5 DEBDMP [NH3+]CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000923351848 637134058 /nfs/dbraw/zinc/13/40/58/637134058.db2.gz CEZLULOLZXQECX-QGZVFWFLSA-N 2 1 321.421 2.469 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277572 642152653 /nfs/dbraw/zinc/15/26/53/642152653.db2.gz OCZAULQMLLJGQO-XOKHGSTOSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277572 642152656 /nfs/dbraw/zinc/15/26/56/642152656.db2.gz OCZAULQMLLJGQO-XOKHGSTOSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277572 642152660 /nfs/dbraw/zinc/15/26/60/642152660.db2.gz OCZAULQMLLJGQO-XOKHGSTOSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@H]1C ZINC000776277572 642152663 /nfs/dbraw/zinc/15/26/63/642152663.db2.gz OCZAULQMLLJGQO-XOKHGSTOSA-N 2 1 321.421 2.433 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317776 642989170 /nfs/dbraw/zinc/98/91/70/642989170.db2.gz GCSUPTDQZAWGCL-CYBMUJFWSA-N 2 1 307.394 2.471 20 5 DEBDMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941151 647544271 /nfs/dbraw/zinc/54/42/71/647544271.db2.gz PSWFUMSUMHTULI-MRXNPFEDSA-N 2 1 307.394 2.091 20 5 DEBDMP C[C@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1c[nH+]cn1C ZINC000866341926 687541625 /nfs/dbraw/zinc/54/16/25/687541625.db2.gz QCIHTLLMTPBOKW-LLVKDONJSA-N 2 1 306.341 2.231 20 5 DEBDMP CC(C)C[N@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000877767813 690220030 /nfs/dbraw/zinc/22/00/30/690220030.db2.gz WGYRDSINUZVTSC-UHFFFAOYSA-N 2 1 323.441 2.128 20 5 DEBDMP CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@@H]1CCC[NH2+]C1 ZINC001158204738 798360003 /nfs/dbraw/zinc/36/00/03/798360003.db2.gz JNICPGWZDDPHFM-RCQQVGEISA-N 2 1 319.409 2.100 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC001461832107 1058719992 /nfs/dbraw/zinc/71/99/92/1058719992.db2.gz SAFQDRKDAURVDE-VBNZEHGJSA-N 2 1 319.405 2.423 20 5 DEBDMP C[NH+]1CCC(CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601111887 359925543 /nfs/dbraw/zinc/92/55/43/359925543.db2.gz ZCMYKJGPGABIER-UHFFFAOYSA-N 2 1 300.362 2.319 20 5 DEBDMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268839030 207001980 /nfs/dbraw/zinc/00/19/80/207001980.db2.gz MWSSRSLUVLZEOJ-HOTGVXAUSA-N 2 1 307.394 2.092 20 5 DEBDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000282154437 403127757 /nfs/dbraw/zinc/12/77/57/403127757.db2.gz CYTFKDMBKCEBSL-CQSZACIVSA-N 2 1 320.437 2.271 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321033 405318729 /nfs/dbraw/zinc/31/87/29/405318729.db2.gz CDSBSIPYVHJSRP-GJZGRUSLSA-N 2 1 319.405 2.295 20 5 DEBDMP COCC[N@@H+](C)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934293 326257603 /nfs/dbraw/zinc/25/76/03/326257603.db2.gz INEBXEHBMUBLLP-OAHLLOKOSA-N 2 1 307.394 2.140 20 5 DEBDMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934293 326257605 /nfs/dbraw/zinc/25/76/05/326257605.db2.gz INEBXEHBMUBLLP-OAHLLOKOSA-N 2 1 307.394 2.140 20 5 DEBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902475999 643042743 /nfs/dbraw/zinc/04/27/43/643042743.db2.gz LITVOELWDQKUCJ-QKPAOTATSA-N 2 1 301.390 2.398 20 5 DEBDMP CC1(C)C[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000902450122 643045595 /nfs/dbraw/zinc/04/55/95/643045595.db2.gz QXSIBKMBFXVPIP-MRXNPFEDSA-N 2 1 318.421 2.151 20 5 DEBDMP C[C@@H](CC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000819227152 647612273 /nfs/dbraw/zinc/61/22/73/647612273.db2.gz AUNFXAVPTMIZIM-WMLDXEAASA-N 2 1 321.421 2.482 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246089569 1140859686 /nfs/dbraw/zinc/85/96/86/1140859686.db2.gz GNRHMECBNYVKMB-JSGCOSHPSA-N 2 1 307.394 2.266 20 5 DEBDMP C[C@@H]1C[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@H]1C[NH3+] ZINC001246566789 1140969771 /nfs/dbraw/zinc/96/97/71/1140969771.db2.gz JRJJTZVAPOVNAY-HACGYAERSA-N 2 1 303.406 2.369 20 5 DEBDMP C[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465852 1143129766 /nfs/dbraw/zinc/12/97/66/1143129766.db2.gz NLBQLKQILATLJC-CQSZACIVSA-N 2 1 318.421 2.105 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310981 1148074059 /nfs/dbraw/zinc/07/40/59/1148074059.db2.gz NCLXIVXXIVDJOI-UHFFFAOYSA-N 2 1 319.405 2.439 20 5 DEBDMP CN(CC[N@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000177374002 402395397 /nfs/dbraw/zinc/39/53/97/402395397.db2.gz COARJETTZWYEPK-UHFFFAOYSA-N 2 1 320.437 2.053 20 5 DEBDMP CN(CC[N@@H+](C)Cc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000177374002 402395401 /nfs/dbraw/zinc/39/54/01/402395401.db2.gz COARJETTZWYEPK-UHFFFAOYSA-N 2 1 320.437 2.053 20 5 DEBDMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293988232 403617243 /nfs/dbraw/zinc/61/72/43/403617243.db2.gz BUSRSSZPLLQISG-VXGBXAGGSA-N 2 1 315.377 2.287 20 5 DEBDMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813859 404740071 /nfs/dbraw/zinc/74/00/71/404740071.db2.gz NADJDCRIWBKCHM-JSGCOSHPSA-N 2 1 322.409 2.419 20 5 DEBDMP CCCC[N@H+](C)CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355799974 535215332 /nfs/dbraw/zinc/21/53/32/535215332.db2.gz ZHXAYHBNRQYMND-UHFFFAOYSA-N 2 1 323.441 2.272 20 5 DEBDMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c([N+](=O)[O-])ncn2C)CC1 ZINC000355799974 535215338 /nfs/dbraw/zinc/21/53/38/535215338.db2.gz ZHXAYHBNRQYMND-UHFFFAOYSA-N 2 1 323.441 2.272 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923425918 637171830 /nfs/dbraw/zinc/17/18/30/637171830.db2.gz AAIOPNLWSBMHSE-IAGOWNOFSA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923425918 637171836 /nfs/dbraw/zinc/17/18/36/637171836.db2.gz AAIOPNLWSBMHSE-IAGOWNOFSA-N 2 1 319.405 2.094 20 5 DEBDMP Cc1c(CNCCC[N@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114788 689160138 /nfs/dbraw/zinc/16/01/38/689160138.db2.gz VEEXHVDHIRTUKC-AWEZNQCLSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1c(C[NH2+]CCCN2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114788 689160140 /nfs/dbraw/zinc/16/01/40/689160140.db2.gz VEEXHVDHIRTUKC-AWEZNQCLSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114788 689160142 /nfs/dbraw/zinc/16/01/42/689160142.db2.gz VEEXHVDHIRTUKC-AWEZNQCLSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114788 689160143 /nfs/dbraw/zinc/16/01/43/689160143.db2.gz VEEXHVDHIRTUKC-AWEZNQCLSA-N 2 1 321.421 2.494 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329575 786911192 /nfs/dbraw/zinc/91/11/92/786911192.db2.gz RQGLXRAGXBPOHE-XEZPLFJOSA-N 2 1 321.421 2.464 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329575 786911195 /nfs/dbraw/zinc/91/11/95/786911195.db2.gz RQGLXRAGXBPOHE-XEZPLFJOSA-N 2 1 321.421 2.464 20 5 DEBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238397 793656951 /nfs/dbraw/zinc/65/69/51/793656951.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238397 793656953 /nfs/dbraw/zinc/65/69/53/793656953.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238397 793656959 /nfs/dbraw/zinc/65/69/59/793656959.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 2 1 303.406 2.409 20 5 DEBDMP C[N@@H+]1CCc2c(N[C@@H]3CCC[C@@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404586 799079229 /nfs/dbraw/zinc/07/92/29/799079229.db2.gz OMUSWNPXSCPLTI-VXGBXAGGSA-N 2 1 304.394 2.265 20 5 DEBDMP C[N@H+]1CCc2c(N[C@@H]3CCC[C@@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404586 799079237 /nfs/dbraw/zinc/07/92/37/799079237.db2.gz OMUSWNPXSCPLTI-VXGBXAGGSA-N 2 1 304.394 2.265 20 5 DEBDMP Cc1c(F)cc([N+](=O)[O-])cc1NCC1([NH+](C)C)CC[NH+](C)CC1 ZINC001164217016 799542691 /nfs/dbraw/zinc/54/26/91/799542691.db2.gz PTIFNXUMPRQHHC-UHFFFAOYSA-N 2 1 324.400 2.480 20 5 DEBDMP [NH3+]Cc1cccc(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)c1 ZINC001580343099 1075907360 /nfs/dbraw/zinc/90/73/60/1075907360.db2.gz XLAYIKCCXJRQGP-UHFFFAOYSA-N 2 1 311.345 2.220 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246932008 1141138330 /nfs/dbraw/zinc/13/83/30/1141138330.db2.gz ONNSRAKOICFTLI-BMFZPTHFSA-N 2 1 303.406 2.457 20 5 DEBDMP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001337433212 1142752208 /nfs/dbraw/zinc/75/22/08/1142752208.db2.gz XKUOEHFYGTVXEX-SGIREYDYSA-N 2 1 312.373 2.317 20 5 DEBDMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@@H]2C1 ZINC001337433212 1142752214 /nfs/dbraw/zinc/75/22/14/1142752214.db2.gz XKUOEHFYGTVXEX-SGIREYDYSA-N 2 1 312.373 2.317 20 5 DEBDMP C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152469737 186076689 /nfs/dbraw/zinc/07/66/89/186076689.db2.gz RWDSEDXOWSZDOV-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152469737 186076691 /nfs/dbraw/zinc/07/66/91/186076691.db2.gz RWDSEDXOWSZDOV-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152469737 186076693 /nfs/dbraw/zinc/07/66/93/186076693.db2.gz RWDSEDXOWSZDOV-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600773447 359825428 /nfs/dbraw/zinc/82/54/28/359825428.db2.gz IBSNZNNHEUREFS-UHFFFAOYSA-N 2 1 319.361 2.262 20 5 DEBDMP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000602773571 360546675 /nfs/dbraw/zinc/54/66/75/360546675.db2.gz RWYQODGFKWLCIL-UHFFFAOYSA-N 2 1 323.441 2.152 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656735 197291864 /nfs/dbraw/zinc/29/18/64/197291864.db2.gz NAJLAQSNVKWMPF-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656735 197291866 /nfs/dbraw/zinc/29/18/66/197291866.db2.gz NAJLAQSNVKWMPF-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656735 197291867 /nfs/dbraw/zinc/29/18/67/197291867.db2.gz NAJLAQSNVKWMPF-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[C@@H](C[NH3+])C[NH2+]Cc1csc(-c2cccc([N+](=O)[O-])c2)n1 ZINC000414888155 404758706 /nfs/dbraw/zinc/75/87/06/404758706.db2.gz ZSVNZUAJWGQHAL-JTQLQIEISA-N 2 1 306.391 2.403 20 5 DEBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H](O)C[NH3+] ZINC000415064093 404798611 /nfs/dbraw/zinc/79/86/11/404798611.db2.gz BSGYILMGYRNGTD-CYBMUJFWSA-N 2 1 321.402 2.075 20 5 DEBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@H](O)C[NH3+] ZINC000415064093 404798613 /nfs/dbraw/zinc/79/86/13/404798613.db2.gz BSGYILMGYRNGTD-CYBMUJFWSA-N 2 1 321.402 2.075 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344229 405327030 /nfs/dbraw/zinc/32/70/30/405327030.db2.gz SEVIPROSHNBCKB-KBPBESRZSA-N 2 1 319.405 2.425 20 5 DEBDMP C[NH2+]CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430945685 405540943 /nfs/dbraw/zinc/54/09/43/405540943.db2.gz YCNDOBZCQQYERA-UHFFFAOYSA-N 2 1 304.350 2.167 20 5 DEBDMP CCC[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923328890 637111868 /nfs/dbraw/zinc/11/18/68/637111868.db2.gz XYNWDCGIXRCBRC-MRXNPFEDSA-N 2 1 307.394 2.092 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584675 642188427 /nfs/dbraw/zinc/18/84/27/642188427.db2.gz OLZMPYXULCPEMV-PBHICJAKSA-N 2 1 319.405 2.046 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584675 642188432 /nfs/dbraw/zinc/18/84/32/642188432.db2.gz OLZMPYXULCPEMV-PBHICJAKSA-N 2 1 319.405 2.046 20 5 DEBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818966245 647551997 /nfs/dbraw/zinc/55/19/97/647551997.db2.gz PJZCEGPRWPXMKS-BLLLJJGKSA-N 2 1 318.377 2.059 20 5 DEBDMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931433144 694393525 /nfs/dbraw/zinc/39/35/25/694393525.db2.gz QDFNBZVRERMGNK-CABCVRRESA-N 2 1 319.405 2.247 20 5 DEBDMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931433144 694393528 /nfs/dbraw/zinc/39/35/28/694393528.db2.gz QDFNBZVRERMGNK-CABCVRRESA-N 2 1 319.405 2.247 20 5 DEBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931433144 694393533 /nfs/dbraw/zinc/39/35/33/694393533.db2.gz QDFNBZVRERMGNK-CABCVRRESA-N 2 1 319.405 2.247 20 5 DEBDMP C[N@@H+]1CCc2c(NCc3ccnc(N)c3)ccc([N+](=O)[O-])c2C1 ZINC001167619024 777396409 /nfs/dbraw/zinc/39/64/09/777396409.db2.gz QZISOODPERPXHW-UHFFFAOYSA-N 2 1 313.361 2.172 20 5 DEBDMP C[N@H+]1CCc2c(NCc3ccnc(N)c3)ccc([N+](=O)[O-])c2C1 ZINC001167619024 777396414 /nfs/dbraw/zinc/39/64/14/777396414.db2.gz QZISOODPERPXHW-UHFFFAOYSA-N 2 1 313.361 2.172 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329573 786910903 /nfs/dbraw/zinc/91/09/03/786910903.db2.gz RQGLXRAGXBPOHE-HEHGZKQESA-N 2 1 321.421 2.464 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c([N+](=O)[O-])c1 ZINC001170329573 786910914 /nfs/dbraw/zinc/91/09/14/786910914.db2.gz RQGLXRAGXBPOHE-HEHGZKQESA-N 2 1 321.421 2.464 20 5 DEBDMP COc1ccc(C[C@@H](C)[N@H+]2CCC[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539214 1140944548 /nfs/dbraw/zinc/94/45/48/1140944548.db2.gz FNAVYSMCBKIJEG-TZMCWYRMSA-N 2 1 307.394 2.348 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247015639 1141250798 /nfs/dbraw/zinc/25/07/98/1141250798.db2.gz PFJMRVMNAHZNJH-XYPHTWIQSA-N 2 1 301.390 2.136 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@@H]3[NH2+]CCC[C@@H]3C1)C2 ZINC001247015639 1141250807 /nfs/dbraw/zinc/25/08/07/1141250807.db2.gz PFJMRVMNAHZNJH-XYPHTWIQSA-N 2 1 301.390 2.136 20 5 DEBDMP C[NH+]1CCC2(CC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254602776 1143277617 /nfs/dbraw/zinc/27/76/17/1143277617.db2.gz ITBGXYPTEABKAY-KRWDZBQOSA-N 2 1 315.417 2.480 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423297498 282954824 /nfs/dbraw/zinc/95/48/24/282954824.db2.gz KNNJGJAQLBBVJI-HZSPNIEDSA-N 2 1 309.414 2.382 20 5 DEBDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506454 358468548 /nfs/dbraw/zinc/46/85/48/358468548.db2.gz CPNQEBLGFVSCLH-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506454 358468553 /nfs/dbraw/zinc/46/85/53/358468553.db2.gz CPNQEBLGFVSCLH-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506454 358468556 /nfs/dbraw/zinc/46/85/56/358468556.db2.gz CPNQEBLGFVSCLH-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506454 358468560 /nfs/dbraw/zinc/46/85/60/358468560.db2.gz CPNQEBLGFVSCLH-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000591278445 357699371 /nfs/dbraw/zinc/69/93/71/357699371.db2.gz BYPVKLFNOSKZHL-LLVKDONJSA-N 2 1 315.320 2.428 20 5 DEBDMP COc1cc([N+](=O)[O-])ccc1[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000595034117 358381317 /nfs/dbraw/zinc/38/13/17/358381317.db2.gz UXPLCJOKAMUXAP-LLVKDONJSA-N 2 1 304.350 2.230 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358510385 147147903 /nfs/dbraw/zinc/14/79/03/147147903.db2.gz RJVWYDAPPIJOKH-UHFFFAOYSA-N 2 1 305.378 2.049 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295549 148083643 /nfs/dbraw/zinc/08/36/43/148083643.db2.gz SIRSWVNJJMBNEU-BRWVUGGUSA-N 2 1 319.405 2.278 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295549 148083644 /nfs/dbraw/zinc/08/36/44/148083644.db2.gz SIRSWVNJJMBNEU-BRWVUGGUSA-N 2 1 319.405 2.278 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150799278 401996155 /nfs/dbraw/zinc/99/61/55/401996155.db2.gz VMGFWBFGAKIYCA-HNNXBMFYSA-N 2 1 319.405 2.391 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150799278 401996158 /nfs/dbraw/zinc/99/61/58/401996158.db2.gz VMGFWBFGAKIYCA-HNNXBMFYSA-N 2 1 319.405 2.391 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342100373 404367699 /nfs/dbraw/zinc/36/76/99/404367699.db2.gz JZSBAGHDLFVLDV-MGPQQGTHSA-N 2 1 305.378 2.033 20 5 DEBDMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779559 404732470 /nfs/dbraw/zinc/73/24/70/404732470.db2.gz KKNJHBDTIASNQY-LSDHHAIUSA-N 2 1 319.405 2.425 20 5 DEBDMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000103462111 637884419 /nfs/dbraw/zinc/88/44/19/637884419.db2.gz NEJCQBNTJNDDTL-UHFFFAOYSA-N 2 1 317.393 2.176 20 5 DEBDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000776591569 642190742 /nfs/dbraw/zinc/19/07/42/642190742.db2.gz KHFSUZKYRXCJHR-WQVCFCJDSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591569 642190743 /nfs/dbraw/zinc/19/07/43/642190743.db2.gz KHFSUZKYRXCJHR-WQVCFCJDSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591569 642190747 /nfs/dbraw/zinc/19/07/47/642190747.db2.gz KHFSUZKYRXCJHR-WQVCFCJDSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591569 642190751 /nfs/dbraw/zinc/19/07/51/642190751.db2.gz KHFSUZKYRXCJHR-WQVCFCJDSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32)c1ccccc1[N+](=O)[O-] ZINC000902428485 643035079 /nfs/dbraw/zinc/03/50/79/643035079.db2.gz DLAAOBCQHYZQDM-BXCJFSGLSA-N 2 1 301.390 2.284 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@H]2CCCCC[NH2+]2)n1 ZINC000902482396 643057301 /nfs/dbraw/zinc/05/73/01/643057301.db2.gz KQQMTQQRUGIXSP-QLFBSQMISA-N 2 1 321.425 2.397 20 5 DEBDMP CC[N@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849092691 651600662 /nfs/dbraw/zinc/60/06/62/651600662.db2.gz AAXFIDFORBKLGX-AWEZNQCLSA-N 2 1 319.409 2.001 20 5 DEBDMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569799 690674986 /nfs/dbraw/zinc/67/49/86/690674986.db2.gz BQMACLZMKRSQET-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569799 690674988 /nfs/dbraw/zinc/67/49/88/690674988.db2.gz BQMACLZMKRSQET-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569799 690674990 /nfs/dbraw/zinc/67/49/90/690674990.db2.gz BQMACLZMKRSQET-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569799 690674992 /nfs/dbraw/zinc/67/49/92/690674992.db2.gz BQMACLZMKRSQET-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173232149 793644756 /nfs/dbraw/zinc/64/47/56/793644756.db2.gz PJFKZQUBRZORRH-YSVLISHTSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2C[C@@]2(C[NH+](C)C)C1 ZINC001173232149 793644760 /nfs/dbraw/zinc/64/47/60/793644760.db2.gz PJFKZQUBRZORRH-YSVLISHTSA-N 2 1 303.406 2.409 20 5 DEBDMP CC(C)N(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H]1CC[NH2+]C1 ZINC001158032593 798330789 /nfs/dbraw/zinc/33/07/89/798330789.db2.gz JBDKJIRPMSRJLC-OWNNVSBGSA-N 2 1 319.409 2.099 20 5 DEBDMP C[N+](C)(C)CCCOC[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224624608 802887595 /nfs/dbraw/zinc/88/75/95/802887595.db2.gz YKIIFRIORQXLLX-SFHVURJKSA-N 2 1 307.458 2.000 20 5 DEBDMP C[N+](C)(C)CCCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224624608 802887602 /nfs/dbraw/zinc/88/76/02/802887602.db2.gz YKIIFRIORQXLLX-SFHVURJKSA-N 2 1 307.458 2.000 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246089568 1140859342 /nfs/dbraw/zinc/85/93/42/1140859342.db2.gz GNRHMECBNYVKMB-GXTWGEPZSA-N 2 1 307.394 2.266 20 5 DEBDMP COc1ccc(C[C@H](C)[N@H+]2CCC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539212 1140943369 /nfs/dbraw/zinc/94/33/69/1140943369.db2.gz FNAVYSMCBKIJEG-JSGCOSHPSA-N 2 1 307.394 2.348 20 5 DEBDMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507794 358469054 /nfs/dbraw/zinc/46/90/54/358469054.db2.gz QWPXNDNYTLJAQT-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507794 358469057 /nfs/dbraw/zinc/46/90/57/358469057.db2.gz QWPXNDNYTLJAQT-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507794 358469059 /nfs/dbraw/zinc/46/90/59/358469059.db2.gz QWPXNDNYTLJAQT-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507794 358469061 /nfs/dbraw/zinc/46/90/61/358469061.db2.gz QWPXNDNYTLJAQT-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCC[NH2+]2)n1 ZINC000591578065 357738310 /nfs/dbraw/zinc/73/83/10/357738310.db2.gz SNPVINRACIMXDI-MELADBBJSA-N 2 1 307.398 2.007 20 5 DEBDMP C[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593730831 358132805 /nfs/dbraw/zinc/13/28/05/358132805.db2.gz HZWHYUBPRODLLZ-XJKSGUPXSA-N 2 1 307.394 2.423 20 5 DEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173296 285111535 /nfs/dbraw/zinc/11/15/35/285111535.db2.gz CCXLFGQWGWZZPM-XJKCOSOUSA-N 2 1 307.394 2.292 20 5 DEBDMP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930277 145145468 /nfs/dbraw/zinc/14/54/68/145145468.db2.gz BZBINYHTUCKGBE-LSDHHAIUSA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930277 145145469 /nfs/dbraw/zinc/14/54/69/145145469.db2.gz BZBINYHTUCKGBE-LSDHHAIUSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930277 145145470 /nfs/dbraw/zinc/14/54/70/145145470.db2.gz BZBINYHTUCKGBE-LSDHHAIUSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@H]21 ZINC000247930277 145145471 /nfs/dbraw/zinc/14/54/71/145145471.db2.gz BZBINYHTUCKGBE-LSDHHAIUSA-N 2 1 319.405 2.390 20 5 DEBDMP [NH3+]C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420372283 405336221 /nfs/dbraw/zinc/33/62/21/405336221.db2.gz QFPFYDQLNFHNGA-INIZCTEOSA-N 2 1 307.394 2.471 20 5 DEBDMP [NH3+]C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CCCCC1 ZINC000420372285 405336254 /nfs/dbraw/zinc/33/62/54/405336254.db2.gz QFPFYDQLNFHNGA-MRXNPFEDSA-N 2 1 307.394 2.471 20 5 DEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000422624988 230156405 /nfs/dbraw/zinc/15/64/05/230156405.db2.gz AGUISUWXPPPBLA-MGPQQGTHSA-N 2 1 307.394 2.279 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279099 642152975 /nfs/dbraw/zinc/15/29/75/642152975.db2.gz VOXNUIBTJJKKJN-OIISXLGYSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279099 642152977 /nfs/dbraw/zinc/15/29/77/642152977.db2.gz VOXNUIBTJJKKJN-OIISXLGYSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279099 642152980 /nfs/dbraw/zinc/15/29/80/642152980.db2.gz VOXNUIBTJJKKJN-OIISXLGYSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000776279099 642152984 /nfs/dbraw/zinc/15/29/84/642152984.db2.gz VOXNUIBTJJKKJN-OIISXLGYSA-N 2 1 319.405 2.044 20 5 DEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984350 647557593 /nfs/dbraw/zinc/55/75/93/647557593.db2.gz FJVCOHQLIQNBPN-PBHICJAKSA-N 2 1 321.421 2.338 20 5 DEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984206 647558116 /nfs/dbraw/zinc/55/81/16/647558116.db2.gz ANRBDLOREQZVAU-WMLDXEAASA-N 2 1 321.421 2.338 20 5 DEBDMP C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[NH2+]1 ZINC000863545236 686518991 /nfs/dbraw/zinc/51/89/91/686518991.db2.gz MHRSHTMGUAYBGY-ZFWWWQNUSA-N 2 1 318.421 2.294 20 5 DEBDMP C[NH+](C)/C=C/c1cc(NC[C@H]2CCCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001160150735 798655339 /nfs/dbraw/zinc/65/53/39/798655339.db2.gz KOJJONORQPIMBV-STMXVASLSA-N 2 1 305.382 2.076 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486611 1141858126 /nfs/dbraw/zinc/85/81/26/1141858126.db2.gz FICWHFKXMNXNQG-JQFCIGGWSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486611 1141858128 /nfs/dbraw/zinc/85/81/28/1141858128.db2.gz FICWHFKXMNXNQG-JQFCIGGWSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486611 1141858129 /nfs/dbraw/zinc/85/81/29/1141858129.db2.gz FICWHFKXMNXNQG-JQFCIGGWSA-N 2 1 321.421 2.290 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC001323486611 1141858130 /nfs/dbraw/zinc/85/81/30/1141858130.db2.gz FICWHFKXMNXNQG-JQFCIGGWSA-N 2 1 321.421 2.290 20 5 DEBDMP C[N@H+]1CC[C@@]2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608214 1143278752 /nfs/dbraw/zinc/27/87/52/1143278752.db2.gz PRGIIGPJQJXRQN-IAGOWNOFSA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608214 1143278767 /nfs/dbraw/zinc/27/87/67/1143278767.db2.gz PRGIIGPJQJXRQN-IAGOWNOFSA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@@]2(CC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608214 1143278788 /nfs/dbraw/zinc/27/87/88/1143278788.db2.gz PRGIIGPJQJXRQN-IAGOWNOFSA-N 2 1 301.390 2.090 20 5 DEBDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610521 1143282682 /nfs/dbraw/zinc/28/26/82/1143282682.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 2 1 315.417 2.336 20 5 DEBDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610521 1143282690 /nfs/dbraw/zinc/28/26/90/1143282690.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 2 1 315.417 2.336 20 5 DEBDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610521 1143282700 /nfs/dbraw/zinc/28/27/00/1143282700.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 2 1 315.417 2.336 20 5 DEBDMP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000237189922 202183679 /nfs/dbraw/zinc/18/36/79/202183679.db2.gz XSMKTRBAMBFTCW-ZDUSSCGKSA-N 2 1 307.394 2.425 20 5 DEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922508 145144500 /nfs/dbraw/zinc/14/45/00/145144500.db2.gz BIJDQZAUICEYQO-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922508 145144502 /nfs/dbraw/zinc/14/45/02/145144502.db2.gz BIJDQZAUICEYQO-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922508 145144504 /nfs/dbraw/zinc/14/45/04/145144504.db2.gz BIJDQZAUICEYQO-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP [NH3+]CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)CC1 ZINC000346689569 146124805 /nfs/dbraw/zinc/12/48/05/146124805.db2.gz QNPMTVDQHPKOGW-UHFFFAOYSA-N 2 1 315.320 2.367 20 5 DEBDMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154402532 402211010 /nfs/dbraw/zinc/21/10/10/402211010.db2.gz KXLCFWSUOKFYEI-KRWDZBQOSA-N 2 1 321.421 2.434 20 5 DEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154402532 402211013 /nfs/dbraw/zinc/21/10/13/402211013.db2.gz KXLCFWSUOKFYEI-KRWDZBQOSA-N 2 1 321.421 2.434 20 5 DEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266891565 402997475 /nfs/dbraw/zinc/99/74/75/402997475.db2.gz DAKHVQZXHYZEJE-HNNXBMFYSA-N 2 1 320.437 2.225 20 5 DEBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000315054842 404006356 /nfs/dbraw/zinc/00/63/56/404006356.db2.gz TXNZSLALQXIBJV-AWEZNQCLSA-N 2 1 307.394 2.423 20 5 DEBDMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000315054842 404006363 /nfs/dbraw/zinc/00/63/63/404006363.db2.gz TXNZSLALQXIBJV-AWEZNQCLSA-N 2 1 307.394 2.423 20 5 DEBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000315054844 404006694 /nfs/dbraw/zinc/00/66/94/404006694.db2.gz TXNZSLALQXIBJV-CQSZACIVSA-N 2 1 307.394 2.423 20 5 DEBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1[N+](=O)[O-] ZINC000315054844 404006702 /nfs/dbraw/zinc/00/67/02/404006702.db2.gz TXNZSLALQXIBJV-CQSZACIVSA-N 2 1 307.394 2.423 20 5 DEBDMP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN(C)C1CC1 ZINC000290075553 404030305 /nfs/dbraw/zinc/03/03/05/404030305.db2.gz ULWYQWPQIZUHQP-QGZVFWFLSA-N 2 1 321.421 2.260 20 5 DEBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)CN(C)C1CC1 ZINC000290075553 404030311 /nfs/dbraw/zinc/03/03/11/404030311.db2.gz ULWYQWPQIZUHQP-QGZVFWFLSA-N 2 1 321.421 2.260 20 5 DEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321586 405318368 /nfs/dbraw/zinc/31/83/68/405318368.db2.gz CXTFXKZKVNQPPJ-JKSUJKDBSA-N 2 1 303.406 2.459 20 5 DEBDMP C[NH+]1CCC(CCO)([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC1 ZINC000351502504 425038132 /nfs/dbraw/zinc/03/81/32/425038132.db2.gz LXHOJVOXTKMLEA-XQRVVYSFSA-N 2 1 319.405 2.044 20 5 DEBDMP C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185682899 333211797 /nfs/dbraw/zinc/21/17/97/333211797.db2.gz QBSCOGIHPYJTNP-KBPBESRZSA-N 2 1 321.425 2.034 20 5 DEBDMP C[C@H]1CC2(C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383020 637149562 /nfs/dbraw/zinc/14/95/62/637149562.db2.gz GMXDFHRBJXDOCH-XJKSGUPXSA-N 2 1 319.405 2.092 20 5 DEBDMP C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@H]1C[NH3+] ZINC000923498796 637216650 /nfs/dbraw/zinc/21/66/50/637216650.db2.gz QAIOQJMAKLJNMJ-QWRGUYRKSA-N 2 1 304.350 2.153 20 5 DEBDMP COc1cc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000903151284 643274863 /nfs/dbraw/zinc/27/48/63/643274863.db2.gz DCAAUYRNTUSLIW-LLVKDONJSA-N 2 1 304.350 2.230 20 5 DEBDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411235 643661903 /nfs/dbraw/zinc/66/19/03/643661903.db2.gz KFYTXYHGWZXHRH-NWDGAFQWSA-N 2 1 323.393 2.029 20 5 DEBDMP COCC[N@H+](C)CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873012930 689140702 /nfs/dbraw/zinc/14/07/02/689140702.db2.gz ZBRABIWMLJCYEN-UHFFFAOYSA-N 2 1 309.410 2.270 20 5 DEBDMP COCC[N@@H+](C)CCC[NH2+]Cc1c(C)ccc([N+](=O)[O-])c1C ZINC000873012930 689140703 /nfs/dbraw/zinc/14/07/03/689140703.db2.gz ZBRABIWMLJCYEN-UHFFFAOYSA-N 2 1 309.410 2.270 20 5 DEBDMP Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1[N+](=O)[O-] ZINC000877729881 690207018 /nfs/dbraw/zinc/20/70/18/690207018.db2.gz DTWQCCCYNHRFOT-UHFFFAOYSA-N 2 1 321.421 2.228 20 5 DEBDMP Cc1noc(C[NH+]2CCC3(CC[NH+](C)CC3)CC2)c1[N+](=O)[O-] ZINC000879251591 690603200 /nfs/dbraw/zinc/60/32/00/690603200.db2.gz YUIGEVYHZNZGLS-UHFFFAOYSA-N 2 1 308.382 2.199 20 5 DEBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165035920 721895112 /nfs/dbraw/zinc/89/51/12/721895112.db2.gz PVIBSDMHEAETRU-IUCKJTJTSA-N 2 1 319.409 2.053 20 5 DEBDMP CC[N+](C)(C)Cc1ccccc1NCCCN1CC[NH+](C)CC1 ZINC001161708907 783292699 /nfs/dbraw/zinc/29/26/99/783292699.db2.gz XCQRFGIAWHRBMI-UHFFFAOYSA-N 2 1 319.517 2.332 20 5 DEBDMP COc1ccc(C[C@@H](C)n2c(C)c[nH+]c2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170297400 786891831 /nfs/dbraw/zinc/89/18/31/786891831.db2.gz NRCPIMHFKNOPCM-LLVKDONJSA-N 2 1 318.377 2.413 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1C[NH2+]CC13CC3)CC2 ZINC001246132350 1140864422 /nfs/dbraw/zinc/86/44/22/1140864422.db2.gz LXBJVHDQKWXFND-GOEBONIOSA-N 2 1 301.390 2.184 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942975 1141155251 /nfs/dbraw/zinc/15/52/51/1141155251.db2.gz SASMRHHTNDUSTO-CWRNSKLLSA-N 2 1 303.406 2.457 20 5 DEBDMP C[C@H](C[NH3+])C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470156 1143130064 /nfs/dbraw/zinc/13/00/64/1143130064.db2.gz QBNSTSBVXZLHGI-CYBMUJFWSA-N 2 1 306.410 2.090 20 5 DEBDMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268839029 207003005 /nfs/dbraw/zinc/00/30/05/207003005.db2.gz MWSSRSLUVLZEOJ-CVEARBPZSA-N 2 1 307.394 2.092 20 5 DEBDMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268873189 207040862 /nfs/dbraw/zinc/04/08/62/207040862.db2.gz VVHOZCMNBDBALH-IAGOWNOFSA-N 2 1 321.421 2.482 20 5 DEBDMP C[N@H+](CCC[NH3+])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159502752 197358874 /nfs/dbraw/zinc/35/88/74/197358874.db2.gz LKVQQERBWNPXTD-UHFFFAOYSA-N 2 1 302.172 2.138 20 5 DEBDMP C[N@@H+](CCC[NH3+])Cc1ccc(Br)c([N+](=O)[O-])c1 ZINC000159502752 197358876 /nfs/dbraw/zinc/35/88/76/197358876.db2.gz LKVQQERBWNPXTD-UHFFFAOYSA-N 2 1 302.172 2.138 20 5 DEBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000565990400 292195499 /nfs/dbraw/zinc/19/54/99/292195499.db2.gz WQKRFWRAYNUYKX-UONOGXRCSA-N 2 1 318.381 2.070 20 5 DEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152474758 402097833 /nfs/dbraw/zinc/09/78/33/402097833.db2.gz MGLXIFOZUUWGJM-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152474758 402097834 /nfs/dbraw/zinc/09/78/34/402097834.db2.gz MGLXIFOZUUWGJM-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152474758 402097837 /nfs/dbraw/zinc/09/78/37/402097837.db2.gz MGLXIFOZUUWGJM-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566414392 292236779 /nfs/dbraw/zinc/23/67/79/292236779.db2.gz ZPMBPJDPRHWLPP-QWHCGFSZSA-N 2 1 320.393 2.043 20 5 DEBDMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672276 403155942 /nfs/dbraw/zinc/15/59/42/403155942.db2.gz VCKPCFCLERYHEI-WMLDXEAASA-N 2 1 321.421 2.292 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000342092965 404360652 /nfs/dbraw/zinc/36/06/52/404360652.db2.gz DTCKBVLSKJDKMF-RAIGVLPGSA-N 2 1 316.361 2.295 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000342092965 404360658 /nfs/dbraw/zinc/36/06/58/404360658.db2.gz DTCKBVLSKJDKMF-RAIGVLPGSA-N 2 1 316.361 2.295 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345187576 404602385 /nfs/dbraw/zinc/60/23/85/404602385.db2.gz OWWHILDRSLDQTN-UHFFFAOYSA-N 2 1 305.378 2.345 20 5 DEBDMP CC[N@@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435615168 404995624 /nfs/dbraw/zinc/99/56/24/404995624.db2.gz GVBQOGNOEQVWBE-CQSZACIVSA-N 2 1 307.394 2.438 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321032 405318438 /nfs/dbraw/zinc/31/84/38/405318438.db2.gz CDSBSIPYVHJSRP-CABCVRRESA-N 2 1 319.405 2.295 20 5 DEBDMP Cc1cc(N[C@H]2CCn3cc[nH+]c3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000489922709 406439114 /nfs/dbraw/zinc/43/91/14/406439114.db2.gz HNVHTRBRNMNGEU-LBPRGKRZSA-N 2 1 323.356 2.497 20 5 DEBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818966246 647551668 /nfs/dbraw/zinc/55/16/68/647551668.db2.gz PJZCEGPRWPXMKS-LRDDRELGSA-N 2 1 318.377 2.059 20 5 DEBDMP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818981811 647556499 /nfs/dbraw/zinc/55/64/99/647556499.db2.gz ZGQJLZSMHQMCPL-KRWDZBQOSA-N 2 1 321.421 2.338 20 5 DEBDMP CCCC[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819043997 647570811 /nfs/dbraw/zinc/57/08/11/647570811.db2.gz XDHDPIQTEYQGRI-KRWDZBQOSA-N 2 1 321.421 2.482 20 5 DEBDMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000878867619 690517226 /nfs/dbraw/zinc/51/72/26/690517226.db2.gz VGWXMBUTIWDKEW-INIZCTEOSA-N 2 1 319.405 2.046 20 5 DEBDMP COc1ccc(C[C@@H](C)n2c[nH+]cc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170294520 786890881 /nfs/dbraw/zinc/89/08/81/786890881.db2.gz AQGKYCRPVZSDEO-LLVKDONJSA-N 2 1 304.350 2.105 20 5 DEBDMP COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2c[nH+]cc2CC[NH3+])c1F ZINC001173176493 793619507 /nfs/dbraw/zinc/61/95/07/793619507.db2.gz JSORHBNQVAXDGI-SNVBAGLBSA-N 2 1 322.340 2.244 20 5 DEBDMP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569184 1143254051 /nfs/dbraw/zinc/25/40/51/1143254051.db2.gz IXYUOKGIIBUYGS-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569184 1143254076 /nfs/dbraw/zinc/25/40/76/1143254076.db2.gz IXYUOKGIIBUYGS-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569184 1143254099 /nfs/dbraw/zinc/25/40/99/1143254099.db2.gz IXYUOKGIIBUYGS-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@@H]2C1 ZINC001254569184 1143254128 /nfs/dbraw/zinc/25/41/28/1143254128.db2.gz IXYUOKGIIBUYGS-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631045 404998713 /nfs/dbraw/zinc/99/87/13/404998713.db2.gz ZNLNGNASHWTCAU-CQSZACIVSA-N 2 1 307.394 2.438 20 5 DEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331091 405322162 /nfs/dbraw/zinc/32/21/62/405322162.db2.gz QPCUGOJONOOBLQ-DZGCQCFKSA-N 2 1 319.405 2.343 20 5 DEBDMP C[NH2+]CCC[N@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420385015 405339813 /nfs/dbraw/zinc/33/98/13/405339813.db2.gz GDQOGKHTWGDMJD-UHFFFAOYSA-N 2 1 318.377 2.334 20 5 DEBDMP C[NH2+]CCC[N@@H+](C)CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000420385015 405339818 /nfs/dbraw/zinc/33/98/18/405339818.db2.gz GDQOGKHTWGDMJD-UHFFFAOYSA-N 2 1 318.377 2.334 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405073 405345395 /nfs/dbraw/zinc/34/53/95/405345395.db2.gz SQLPIDBLFNFGCE-RHSMWYFYSA-N 2 1 319.405 2.438 20 5 DEBDMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279868 405306529 /nfs/dbraw/zinc/30/65/29/405306529.db2.gz XOIMQPQZUZDOOH-TZMCWYRMSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279868 405306531 /nfs/dbraw/zinc/30/65/31/405306531.db2.gz XOIMQPQZUZDOOH-TZMCWYRMSA-N 2 1 320.393 2.125 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430588344 405462458 /nfs/dbraw/zinc/46/24/58/405462458.db2.gz DJCKRADBSXSRQW-INIZCTEOSA-N 2 1 322.409 2.195 20 5 DEBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)CC2)cc1 ZINC000902475331 643042370 /nfs/dbraw/zinc/04/23/70/643042370.db2.gz IKJAIUNICIDOBZ-XOKHGSTOSA-N 2 1 316.405 2.046 20 5 DEBDMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878867553 690517354 /nfs/dbraw/zinc/51/73/54/690517354.db2.gz USJSEWNBQWIAAR-MRXNPFEDSA-N 2 1 319.405 2.046 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886838270 692207098 /nfs/dbraw/zinc/20/70/98/692207098.db2.gz URCUXYYNYNRZAV-KBPBESRZSA-N 2 1 304.394 2.201 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838273 692207120 /nfs/dbraw/zinc/20/71/20/692207120.db2.gz URCUXYYNYNRZAV-ZIAGYGMSSA-N 2 1 304.394 2.201 20 5 DEBDMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925776252 693340296 /nfs/dbraw/zinc/34/02/96/693340296.db2.gz KJVBPIKXKSQOOP-GXSJLCMTSA-N 2 1 314.336 2.072 20 5 DEBDMP C[C@H]1CCCC[N@H+]1CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350029 1150398733 /nfs/dbraw/zinc/39/87/33/1150398733.db2.gz ATNISWFTRKBPCS-WMLDXEAASA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350029 1150398737 /nfs/dbraw/zinc/39/87/37/1150398737.db2.gz ATNISWFTRKBPCS-WMLDXEAASA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350029 1150398743 /nfs/dbraw/zinc/39/87/43/1150398743.db2.gz ATNISWFTRKBPCS-WMLDXEAASA-N 2 1 321.421 2.482 20 5 DEBDMP C[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899716 793522592 /nfs/dbraw/zinc/52/25/92/793522592.db2.gz OWTVANSDTUSZQI-XJKSGUPXSA-N 2 1 303.406 2.384 20 5 DEBDMP C[C@H]1CC[C@@H](C[NH3+])N(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001164072585 799502670 /nfs/dbraw/zinc/50/26/70/799502670.db2.gz AGTQTQLVMSTJMX-UTTOWCGFSA-N 2 1 319.409 2.086 20 5 DEBDMP [NH3+]CCC[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)CC1CCCC1 ZINC001580297248 1075897156 /nfs/dbraw/zinc/89/71/56/1075897156.db2.gz MZMHRSCEBPAXJY-QGZVFWFLSA-N 2 1 321.421 2.469 20 5 DEBDMP [NH3+][C@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246540544 1140943766 /nfs/dbraw/zinc/94/37/66/1140943766.db2.gz GYQSKTYIUJTTPF-AWEZNQCLSA-N 2 1 318.421 2.377 20 5 DEBDMP COc1ccc(C[C@@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246542520 1140947066 /nfs/dbraw/zinc/94/70/66/1140947066.db2.gz PXGRPBPVCFHAJU-OUCADQQQSA-N 2 1 307.394 2.061 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000277112361 213300198 /nfs/dbraw/zinc/30/01/98/213300198.db2.gz HHQNSLXVZWXZMW-AWEZNQCLSA-N 2 1 307.394 2.390 20 5 DEBDMP C[NH+](C)[C@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000277112361 213300200 /nfs/dbraw/zinc/30/02/00/213300200.db2.gz HHQNSLXVZWXZMW-AWEZNQCLSA-N 2 1 307.394 2.390 20 5 DEBDMP C[NH+](C)[C@@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000601113467 359925621 /nfs/dbraw/zinc/92/56/21/359925621.db2.gz GSRATTKDGHVGPJ-INIZCTEOSA-N 2 1 300.362 2.317 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000566414391 292236475 /nfs/dbraw/zinc/23/64/75/292236475.db2.gz ZPMBPJDPRHWLPP-OLZOCXBDSA-N 2 1 320.393 2.043 20 5 DEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344059337 403882791 /nfs/dbraw/zinc/88/27/91/403882791.db2.gz LPXOXYJPMUTLLS-OAHLLOKOSA-N 2 1 322.453 2.471 20 5 DEBDMP CCCC[N@@H+](C)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350166935 404338687 /nfs/dbraw/zinc/33/86/87/404338687.db2.gz VNQRJDIPQAAIMQ-UHFFFAOYSA-N 2 1 323.441 2.235 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332247 405322662 /nfs/dbraw/zinc/32/26/62/405322662.db2.gz RRPGZOZAHDLAOO-GJZGRUSLSA-N 2 1 319.405 2.295 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423480059 405818978 /nfs/dbraw/zinc/81/89/78/405818978.db2.gz ORZSUJZQXAUVIJ-AAEUAGOBSA-N 2 1 313.348 2.360 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358027394 536898920 /nfs/dbraw/zinc/89/89/20/536898920.db2.gz RBIADXIJEULZCW-YRGRVCCFSA-N 2 1 307.394 2.422 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000358027394 536898921 /nfs/dbraw/zinc/89/89/21/536898921.db2.gz RBIADXIJEULZCW-YRGRVCCFSA-N 2 1 307.394 2.422 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207806 643831284 /nfs/dbraw/zinc/83/12/84/643831284.db2.gz IUQCTCJNUVJLME-IXDOHACOSA-N 2 1 303.406 2.153 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207806 643831288 /nfs/dbraw/zinc/83/12/88/643831288.db2.gz IUQCTCJNUVJLME-IXDOHACOSA-N 2 1 303.406 2.153 20 5 DEBDMP C[C@@H](Cc1ccc(F)cc1[N+](=O)[O-])[NH2+]CCc1c[nH+]cn1C ZINC000866341928 687541431 /nfs/dbraw/zinc/54/14/31/687541431.db2.gz QCIHTLLMTPBOKW-NSHDSACASA-N 2 1 306.341 2.231 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCCC[C@@H]1C ZINC000876930852 689975507 /nfs/dbraw/zinc/97/55/07/689975507.db2.gz DXMJCSAICYRSRW-ZUJMUWTESA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCCC[C@@H]1C ZINC000876930852 689975511 /nfs/dbraw/zinc/97/55/11/689975511.db2.gz DXMJCSAICYRSRW-ZUJMUWTESA-N 2 1 321.425 2.347 20 5 DEBDMP COc1ccc(C[C@H](C)n2cc[nH+]c2CCC[NH3+])c([N+](=O)[O-])c1 ZINC001170326896 786909558 /nfs/dbraw/zinc/90/95/58/786909558.db2.gz CDSIZHCABOMAGE-LBPRGKRZSA-N 2 1 318.377 2.495 20 5 DEBDMP C[N@@H+]1CCc2c(NC[C@@H]3CCCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001171335844 791786979 /nfs/dbraw/zinc/78/69/79/791786979.db2.gz SMVQWGVOWPUPLT-LBPRGKRZSA-N 2 1 304.394 2.137 20 5 DEBDMP C[N@H+]1CCc2c(NC[C@@H]3CCCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001171335844 791786983 /nfs/dbraw/zinc/78/69/83/791786983.db2.gz SMVQWGVOWPUPLT-LBPRGKRZSA-N 2 1 304.394 2.137 20 5 DEBDMP C[NH2+]CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(C)(C)C ZINC001157834220 798288868 /nfs/dbraw/zinc/28/88/68/798288868.db2.gz VPBOQDNCLFGWKK-VQHVLOKHSA-N 2 1 321.425 2.346 20 5 DEBDMP C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1C[NH3+] ZINC001246558643 1140965002 /nfs/dbraw/zinc/96/50/02/1140965002.db2.gz NTCGBVBHGQCIRZ-MRRJBJDNSA-N 2 1 303.406 2.369 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942973 1141158711 /nfs/dbraw/zinc/15/87/11/1141158711.db2.gz SASMRHHTNDUSTO-BMFZPTHFSA-N 2 1 303.406 2.457 20 5 DEBDMP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045218 530059439 /nfs/dbraw/zinc/05/94/39/530059439.db2.gz STBZFHZIWKLQGI-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CCC[C@@]2(CC[NH+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045218 530059440 /nfs/dbraw/zinc/05/94/40/530059440.db2.gz STBZFHZIWKLQGI-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045218 530059441 /nfs/dbraw/zinc/05/94/41/530059441.db2.gz STBZFHZIWKLQGI-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045218 530059442 /nfs/dbraw/zinc/05/94/42/530059442.db2.gz STBZFHZIWKLQGI-QGZVFWFLSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600773501 359825594 /nfs/dbraw/zinc/82/55/94/359825594.db2.gz IMZNHWKKVOTDQN-UHFFFAOYSA-N 2 1 319.361 2.262 20 5 DEBDMP CC[NH+]1CCC([N@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077249822 401808349 /nfs/dbraw/zinc/80/83/49/401808349.db2.gz UMECOBWFWRHAFB-UHFFFAOYSA-N 2 1 307.394 2.390 20 5 DEBDMP CC[NH+]1CCC([N@@H+](C)CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000077249822 401808352 /nfs/dbraw/zinc/80/83/52/401808352.db2.gz UMECOBWFWRHAFB-UHFFFAOYSA-N 2 1 307.394 2.390 20 5 DEBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000160741020 402359098 /nfs/dbraw/zinc/35/90/98/402359098.db2.gz WVRZMDCXBROBBG-RHSMWYFYSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293988230 403617303 /nfs/dbraw/zinc/61/73/03/403617303.db2.gz BUSRSSZPLLQISG-RYUDHWBXSA-N 2 1 315.377 2.287 20 5 DEBDMP Cc1c(C[N@H+](C)CCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000288795660 403770674 /nfs/dbraw/zinc/77/06/74/403770674.db2.gz CPULKYZMVVHIBB-UHFFFAOYSA-N 2 1 322.453 2.219 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414813856 404740099 /nfs/dbraw/zinc/74/00/99/404740099.db2.gz NADJDCRIWBKCHM-GXTWGEPZSA-N 2 1 322.409 2.419 20 5 DEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835202 404744264 /nfs/dbraw/zinc/74/42/64/404744264.db2.gz HKAUTIZGWDFUJL-TZMCWYRMSA-N 2 1 322.409 2.275 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405074 405345570 /nfs/dbraw/zinc/34/55/70/405345570.db2.gz SQLPIDBLFNFGCE-WMLDXEAASA-N 2 1 319.405 2.438 20 5 DEBDMP CCC[N@@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431073636 405572205 /nfs/dbraw/zinc/57/22/05/405572205.db2.gz ZHGXEIIQQMMPRZ-UHFFFAOYSA-N 2 1 307.394 2.438 20 5 DEBDMP CCC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423504920 405829769 /nfs/dbraw/zinc/82/97/69/405829769.db2.gz GETWUIWKVOQLCR-JKSUJKDBSA-N 2 1 307.394 2.404 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923365546 637137807 /nfs/dbraw/zinc/13/78/07/637137807.db2.gz WVVCDARIDWDUEW-HYVNUMGLSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000923365546 637137809 /nfs/dbraw/zinc/13/78/09/637137809.db2.gz WVVCDARIDWDUEW-HYVNUMGLSA-N 2 1 319.405 2.092 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688109 638671275 /nfs/dbraw/zinc/67/12/75/638671275.db2.gz IWQVQOSIARSMFK-QRTARXTBSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688109 638671279 /nfs/dbraw/zinc/67/12/79/638671279.db2.gz IWQVQOSIARSMFK-QRTARXTBSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688109 638671283 /nfs/dbraw/zinc/67/12/83/638671283.db2.gz IWQVQOSIARSMFK-QRTARXTBSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@@H]1C ZINC000749688109 638671288 /nfs/dbraw/zinc/67/12/88/638671288.db2.gz IWQVQOSIARSMFK-QRTARXTBSA-N 2 1 321.421 2.433 20 5 DEBDMP COc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000903976815 643532846 /nfs/dbraw/zinc/53/28/46/643532846.db2.gz BTGONPYNZJMQJN-VXGBXAGGSA-N 2 1 323.393 2.029 20 5 DEBDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411234 643661952 /nfs/dbraw/zinc/66/19/52/643661952.db2.gz KFYTXYHGWZXHRH-NEPJUHHUSA-N 2 1 323.393 2.029 20 5 DEBDMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866251079 687508986 /nfs/dbraw/zinc/50/89/86/687508986.db2.gz NIRCCLNXKOYNEH-NSHDSACASA-N 2 1 306.341 2.460 20 5 DEBDMP [NH3+]C[C@@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872151082 688937982 /nfs/dbraw/zinc/93/79/82/688937982.db2.gz ULTKUBRGCGENKQ-DGCLKSJQSA-N 2 1 317.311 2.206 20 5 DEBDMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872151082 688937984 /nfs/dbraw/zinc/93/79/84/688937984.db2.gz ULTKUBRGCGENKQ-DGCLKSJQSA-N 2 1 317.311 2.206 20 5 DEBDMP NC(=[NH2+])N(c1ccc(F)cc1)c1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001167993382 779210735 /nfs/dbraw/zinc/21/07/35/779210735.db2.gz XGANPAXCMZKZIS-UHFFFAOYSA-N 2 1 315.308 2.369 20 5 DEBDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168976477 784981834 /nfs/dbraw/zinc/98/18/34/784981834.db2.gz DBSLCECSPWNOIP-ZBFHGGJFSA-N 2 1 318.421 2.394 20 5 DEBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001168983455 784984682 /nfs/dbraw/zinc/98/46/82/784984682.db2.gz KGTIZIPHSSXPRU-DZVNLGKHSA-N 2 1 315.417 2.152 20 5 DEBDMP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001168983455 784984687 /nfs/dbraw/zinc/98/46/87/784984687.db2.gz KGTIZIPHSSXPRU-DZVNLGKHSA-N 2 1 315.417 2.152 20 5 DEBDMP Cc1cccc(N([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]1 ZINC001169057987 785025838 /nfs/dbraw/zinc/02/58/38/785025838.db2.gz ZXSUKDRVJVODLS-GDBMZVCRSA-N 2 1 318.421 2.394 20 5 DEBDMP Cc1cccc(N([C@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]1 ZINC001169057989 785025937 /nfs/dbraw/zinc/02/59/37/785025937.db2.gz ZXSUKDRVJVODLS-HOCLYGCPSA-N 2 1 318.421 2.394 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH+]2CCC(C)([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001170313265 786904832 /nfs/dbraw/zinc/90/48/32/786904832.db2.gz KCSAURNZRHTNJV-GFCCVEGCSA-N 2 1 307.394 2.348 20 5 DEBDMP C[C@H](OCCC[N+](C)(C)C)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224622708 802886897 /nfs/dbraw/zinc/88/68/97/802886897.db2.gz IXZCQHIKEMSINO-PKOBYXMFSA-N 2 1 321.485 2.389 20 5 DEBDMP C[C@H](OCCC[N+](C)(C)C)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224622708 802886901 /nfs/dbraw/zinc/88/69/01/802886901.db2.gz IXZCQHIKEMSINO-PKOBYXMFSA-N 2 1 321.485 2.389 20 5 DEBDMP C[C@@H](OCCC[N+](C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224622707 802886934 /nfs/dbraw/zinc/88/69/34/802886934.db2.gz IXZCQHIKEMSINO-MJGOQNOKSA-N 2 1 321.485 2.389 20 5 DEBDMP C[C@@H](OCCC[N+](C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224622707 802886941 /nfs/dbraw/zinc/88/69/41/802886941.db2.gz IXZCQHIKEMSINO-MJGOQNOKSA-N 2 1 321.485 2.389 20 5 DEBDMP C[N+](C)(C)CCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001224775697 802902466 /nfs/dbraw/zinc/90/24/66/802902466.db2.gz MWEGDKIPGNYHCH-SFHVURJKSA-N 2 1 307.458 2.000 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001580874544 1076010363 /nfs/dbraw/zinc/01/03/63/1076010363.db2.gz ALEMTMBNIFCWPO-DLBZAZTESA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC001580874544 1076010368 /nfs/dbraw/zinc/01/03/68/1076010368.db2.gz ALEMTMBNIFCWPO-DLBZAZTESA-N 2 1 319.405 2.094 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCn1cc[nH+]c1C ZINC001648968395 1081971913 /nfs/dbraw/zinc/97/19/13/1081971913.db2.gz AWPAEONGHKYVIP-UHFFFAOYSA-N 2 1 304.350 2.288 20 5 DEBDMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000823366383 1090675336 /nfs/dbraw/zinc/67/53/36/1090675336.db2.gz VKUFKXRSBUDTRM-LSDHHAIUSA-N 2 1 319.405 2.377 20 5 DEBDMP CCOc1cc(C[N@H+]2C[C@@H]3CC[NH+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000823366383 1090675339 /nfs/dbraw/zinc/67/53/39/1090675339.db2.gz VKUFKXRSBUDTRM-LSDHHAIUSA-N 2 1 319.405 2.377 20 5 DEBDMP CCOc1cc(C[NH+]2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000823366383 1090675342 /nfs/dbraw/zinc/67/53/42/1090675342.db2.gz VKUFKXRSBUDTRM-LSDHHAIUSA-N 2 1 319.405 2.377 20 5 DEBDMP CCOc1cc(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@@H]3C2)ccc1[N+](=O)[O-] ZINC000823366383 1090675346 /nfs/dbraw/zinc/67/53/46/1090675346.db2.gz VKUFKXRSBUDTRM-LSDHHAIUSA-N 2 1 319.405 2.377 20 5 DEBDMP CC[NH+]1CCC(Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC1 ZINC000601101120 359920116 /nfs/dbraw/zinc/92/01/16/359920116.db2.gz MQIGVJZHSDTRGQ-UHFFFAOYSA-N 2 1 300.362 2.461 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262079596 145259823 /nfs/dbraw/zinc/25/98/23/145259823.db2.gz HAOUTEMFZXTNJH-TUKIKUTGSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262079596 145259825 /nfs/dbraw/zinc/25/98/25/145259825.db2.gz HAOUTEMFZXTNJH-TUKIKUTGSA-N 2 1 305.378 2.163 20 5 DEBDMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277885083 403267541 /nfs/dbraw/zinc/26/75/41/403267541.db2.gz OEZMGWOTQRWZRR-AWEZNQCLSA-N 2 1 307.394 2.185 20 5 DEBDMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc([N+](=O)[O-])c2)CCCO1 ZINC000277885083 403267543 /nfs/dbraw/zinc/26/75/43/403267543.db2.gz OEZMGWOTQRWZRR-AWEZNQCLSA-N 2 1 307.394 2.185 20 5 DEBDMP C[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285571853 403330518 /nfs/dbraw/zinc/33/05/18/403330518.db2.gz SLMHMVDBPFXYGC-BBJBPXSTSA-N 2 1 319.405 2.185 20 5 DEBDMP C[N@@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285571853 403330521 /nfs/dbraw/zinc/33/05/21/403330521.db2.gz SLMHMVDBPFXYGC-BBJBPXSTSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285571853 403330523 /nfs/dbraw/zinc/33/05/23/403330523.db2.gz SLMHMVDBPFXYGC-BBJBPXSTSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285571853 403330526 /nfs/dbraw/zinc/33/05/26/403330526.db2.gz SLMHMVDBPFXYGC-BBJBPXSTSA-N 2 1 319.405 2.185 20 5 DEBDMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000530354854 405787270 /nfs/dbraw/zinc/78/72/70/405787270.db2.gz QYBPWAOMHFBAIT-MRXNPFEDSA-N 2 1 314.389 2.482 20 5 DEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000422624985 230157373 /nfs/dbraw/zinc/15/73/73/230157373.db2.gz AGUISUWXPPPBLA-HZSPNIEDSA-N 2 1 307.394 2.279 20 5 DEBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479297 326158245 /nfs/dbraw/zinc/15/82/45/326158245.db2.gz RYOSRBUGGDOGMK-ILXRZTDVSA-N 2 1 321.425 2.206 20 5 DEBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479299 326158368 /nfs/dbraw/zinc/15/83/68/326158368.db2.gz RYOSRBUGGDOGMK-KFWWJZLASA-N 2 1 321.425 2.206 20 5 DEBDMP CC(C)(C)[C@]1(C[NH3+])CC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414726 637167944 /nfs/dbraw/zinc/16/79/44/637167944.db2.gz NIKWTBBROKPIAU-WBVHZDCISA-N 2 1 321.421 2.325 20 5 DEBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058033 650416973 /nfs/dbraw/zinc/41/69/73/650416973.db2.gz FRRVVNKJNNIRDF-DYVFJYSZSA-N 2 1 318.421 2.151 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@H]2CCCCC[NH2+]2)n1 ZINC000902482397 643056791 /nfs/dbraw/zinc/05/67/91/643056791.db2.gz KQQMTQQRUGIXSP-RBSFLKMASA-N 2 1 321.425 2.397 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000818967044 647551976 /nfs/dbraw/zinc/55/19/76/647551976.db2.gz QILFTQQNIVNODA-QGZVFWFLSA-N 2 1 319.405 2.092 20 5 DEBDMP [NH3+]CCCCCCC[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000844221980 651095906 /nfs/dbraw/zinc/09/59/06/651095906.db2.gz ZUMSEIDWDIKICR-CQSZACIVSA-N 2 1 321.425 2.385 20 5 DEBDMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000872743481 689081414 /nfs/dbraw/zinc/08/14/14/689081414.db2.gz DUHAXHOLXYAWQT-UHFFFAOYSA-N 2 1 309.414 2.049 20 5 DEBDMP C[N@H+]1C[C@@]2(C)CN(CCc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931310152 694363978 /nfs/dbraw/zinc/36/39/78/694363978.db2.gz IPOUKADNXIVKLT-CALCHBBNSA-N 2 1 303.406 2.411 20 5 DEBDMP CN1C[C@]2(C)C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931310152 694363980 /nfs/dbraw/zinc/36/39/80/694363980.db2.gz IPOUKADNXIVKLT-CALCHBBNSA-N 2 1 303.406 2.411 20 5 DEBDMP CN1C[C@]2(C)C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931310152 694363982 /nfs/dbraw/zinc/36/39/82/694363982.db2.gz IPOUKADNXIVKLT-CALCHBBNSA-N 2 1 303.406 2.411 20 5 DEBDMP C[N@@H+]1C[C@]2(C)C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931310152 694363983 /nfs/dbraw/zinc/36/39/83/694363983.db2.gz IPOUKADNXIVKLT-CALCHBBNSA-N 2 1 303.406 2.411 20 5 DEBDMP C[N@H+]1C[C@]2(C)C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931310152 694363985 /nfs/dbraw/zinc/36/39/85/694363985.db2.gz IPOUKADNXIVKLT-CALCHBBNSA-N 2 1 303.406 2.411 20 5 DEBDMP C[NH+]1C[C@]2(C)C[N@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931310152 694363986 /nfs/dbraw/zinc/36/39/86/694363986.db2.gz IPOUKADNXIVKLT-CALCHBBNSA-N 2 1 303.406 2.411 20 5 DEBDMP C[NH+]1C[C@]2(C)C[N@@H+](CCc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000931310152 694363989 /nfs/dbraw/zinc/36/39/89/694363989.db2.gz IPOUKADNXIVKLT-CALCHBBNSA-N 2 1 303.406 2.411 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000885956099 691971036 /nfs/dbraw/zinc/97/10/36/691971036.db2.gz ITTSLXOWVXNAPP-UHFFFAOYSA-N 2 1 304.394 2.298 20 5 DEBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165035925 721895161 /nfs/dbraw/zinc/89/51/61/721895161.db2.gz PVIBSDMHEAETRU-LEJCZOIISA-N 2 1 319.409 2.053 20 5 DEBDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001169024561 785018008 /nfs/dbraw/zinc/01/80/08/785018008.db2.gz XBWBNSPWHVYECM-HUUCEWRRSA-N 2 1 318.421 2.374 20 5 DEBDMP C[N@@H+]1CCc2c(NCC[C@H]3CCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001169570064 785246906 /nfs/dbraw/zinc/24/69/06/785246906.db2.gz WTJPBTUFCKCISC-GFCCVEGCSA-N 2 1 304.394 2.137 20 5 DEBDMP C[N@H+]1CCc2c(NCC[C@H]3CCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001169570064 785246913 /nfs/dbraw/zinc/24/69/13/785246913.db2.gz WTJPBTUFCKCISC-GFCCVEGCSA-N 2 1 304.394 2.137 20 5 DEBDMP [NH3+]C1(CC[N@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCOCC1 ZINC001580144478 1067509165 /nfs/dbraw/zinc/50/91/65/1067509165.db2.gz SCMVICAZHSIIBP-UHFFFAOYSA-N 2 1 319.405 2.457 20 5 DEBDMP [NH3+]C1(CC[N@@H+](Cc2ccc([N+](=O)[O-])cc2)C2CC2)CCOCC1 ZINC001580144478 1067509173 /nfs/dbraw/zinc/50/91/73/1067509173.db2.gz SCMVICAZHSIIBP-UHFFFAOYSA-N 2 1 319.405 2.457 20 5 DEBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC001656891110 1080135336 /nfs/dbraw/zinc/13/53/36/1080135336.db2.gz JQXAFIUBDLYEDO-IRXDYDNUSA-N 2 1 319.405 2.062 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282691 357700134 /nfs/dbraw/zinc/70/01/34/357700134.db2.gz QFKZATGDSAZSKO-CYBMUJFWSA-N 2 1 305.378 2.368 20 5 DEBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000565158439 292138617 /nfs/dbraw/zinc/13/86/17/292138617.db2.gz UNWBXQGPXTXDQA-AAEUAGOBSA-N 2 1 320.393 2.043 20 5 DEBDMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000565990398 292195363 /nfs/dbraw/zinc/19/53/63/292195363.db2.gz WQKRFWRAYNUYKX-KBPBESRZSA-N 2 1 318.381 2.070 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342094235 404362402 /nfs/dbraw/zinc/36/24/02/404362402.db2.gz FCPFXOJZLLDNOA-UHOFOFEASA-N 2 1 305.378 2.033 20 5 DEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331093 405322357 /nfs/dbraw/zinc/32/23/57/405322357.db2.gz QPCUGOJONOOBLQ-HIFRSBDPSA-N 2 1 319.405 2.343 20 5 DEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000425977551 405333594 /nfs/dbraw/zinc/33/35/94/405333594.db2.gz LPUZVOVGCAYTGL-JOFJXJOBSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000425977551 405333596 /nfs/dbraw/zinc/33/35/96/405333596.db2.gz LPUZVOVGCAYTGL-JOFJXJOBSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000425977551 405333597 /nfs/dbraw/zinc/33/35/97/405333597.db2.gz LPUZVOVGCAYTGL-JOFJXJOBSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425977551 405333599 /nfs/dbraw/zinc/33/35/99/405333599.db2.gz LPUZVOVGCAYTGL-JOFJXJOBSA-N 2 1 301.390 2.492 20 5 DEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000425977551 405333601 /nfs/dbraw/zinc/33/36/01/405333601.db2.gz LPUZVOVGCAYTGL-JOFJXJOBSA-N 2 1 301.390 2.492 20 5 DEBDMP Cc1c(NC(=O)CC[N@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430573423 405459291 /nfs/dbraw/zinc/45/92/91/405459291.db2.gz QYOSNFMOQQCNDN-UHFFFAOYSA-N 2 1 322.409 2.149 20 5 DEBDMP [NH3+]CCCOC1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000430581437 405460873 /nfs/dbraw/zinc/46/08/73/405460873.db2.gz OMJROAPNOKIYTH-UHFFFAOYSA-N 2 1 311.357 2.064 20 5 DEBDMP CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000431071178 405572469 /nfs/dbraw/zinc/57/24/69/405572469.db2.gz OFEYIJMTXPRSFC-UHFFFAOYSA-N 2 1 307.394 2.438 20 5 DEBDMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000443068798 534653204 /nfs/dbraw/zinc/65/32/04/534653204.db2.gz IKXFYZRXKFEXAX-LLVKDONJSA-N 2 1 304.350 2.297 20 5 DEBDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000776591566 642190789 /nfs/dbraw/zinc/19/07/89/642190789.db2.gz KHFSUZKYRXCJHR-DAXOMENPSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591566 642190792 /nfs/dbraw/zinc/19/07/92/642190792.db2.gz KHFSUZKYRXCJHR-DAXOMENPSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591566 642190796 /nfs/dbraw/zinc/19/07/96/642190796.db2.gz KHFSUZKYRXCJHR-DAXOMENPSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591566 642190798 /nfs/dbraw/zinc/19/07/98/642190798.db2.gz KHFSUZKYRXCJHR-DAXOMENPSA-N 2 1 307.394 2.043 20 5 DEBDMP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843353645 650955861 /nfs/dbraw/zinc/95/58/61/650955861.db2.gz GGRCAOXHTBOMJN-UHFFFAOYSA-N 2 1 320.393 2.043 20 5 DEBDMP Cc1[nH+]ccn1CCCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877057535 690009588 /nfs/dbraw/zinc/00/95/88/690009588.db2.gz HJMCTCDQECSBNG-UHFFFAOYSA-N 2 1 318.381 2.070 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000886841696 692208041 /nfs/dbraw/zinc/20/80/41/692208041.db2.gz SMJWIRGCAMLYMU-CQSZACIVSA-N 2 1 304.394 2.201 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296291 786892011 /nfs/dbraw/zinc/89/20/11/786892011.db2.gz GIWSQFCOJRLZHX-KBPBESRZSA-N 2 1 321.421 2.466 20 5 DEBDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506453 358468829 /nfs/dbraw/zinc/46/88/29/358468829.db2.gz CPNQEBLGFVSCLH-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506453 358468832 /nfs/dbraw/zinc/46/88/32/358468832.db2.gz CPNQEBLGFVSCLH-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506453 358468835 /nfs/dbraw/zinc/46/88/35/358468835.db2.gz CPNQEBLGFVSCLH-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000595506453 358468839 /nfs/dbraw/zinc/46/88/39/358468839.db2.gz CPNQEBLGFVSCLH-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173294 285111454 /nfs/dbraw/zinc/11/14/54/285111454.db2.gz CCXLFGQWGWZZPM-WWGRRREGSA-N 2 1 307.394 2.292 20 5 DEBDMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998483 403237784 /nfs/dbraw/zinc/23/77/84/403237784.db2.gz HSFOOKBSJGZVQR-NILFDRSVSA-N 2 1 304.394 2.454 20 5 DEBDMP C[C@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331096 405322294 /nfs/dbraw/zinc/32/22/94/405322294.db2.gz QPCUGOJONOOBLQ-UKRRQHHQSA-N 2 1 319.405 2.343 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420360251 405331075 /nfs/dbraw/zinc/33/10/75/405331075.db2.gz KWOXVQHGNJLQGR-CQSZACIVSA-N 2 1 322.409 2.195 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405075 405345280 /nfs/dbraw/zinc/34/52/80/405345280.db2.gz SQLPIDBLFNFGCE-YOEHRIQHSA-N 2 1 319.405 2.438 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405072 405345535 /nfs/dbraw/zinc/34/55/35/405345535.db2.gz SQLPIDBLFNFGCE-PBHICJAKSA-N 2 1 319.405 2.438 20 5 DEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422625625 405674232 /nfs/dbraw/zinc/67/42/32/405674232.db2.gz CAWYXEWKIYOTJX-MGPQQGTHSA-N 2 1 307.394 2.279 20 5 DEBDMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442920372 533806681 /nfs/dbraw/zinc/80/66/81/533806681.db2.gz KZYLIYKCHUMJTH-GFCCVEGCSA-N 2 1 323.393 2.173 20 5 DEBDMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000923389270 637156119 /nfs/dbraw/zinc/15/61/19/637156119.db2.gz USLVYSWEYORPLG-WQVCFCJDSA-N 2 1 307.394 2.078 20 5 DEBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)cc1 ZINC000841033194 650410022 /nfs/dbraw/zinc/41/00/22/650410022.db2.gz OWOJVWKDQCFYQI-OAHLLOKOSA-N 2 1 318.421 2.295 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000765845582 640823925 /nfs/dbraw/zinc/82/39/25/640823925.db2.gz QUMQPLVXLDBAFZ-QGZVFWFLSA-N 2 1 319.405 2.092 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590768 642189644 /nfs/dbraw/zinc/18/96/44/642189644.db2.gz KTRFVWPTVCHFFI-INIZCTEOSA-N 2 1 318.377 2.155 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590768 642189647 /nfs/dbraw/zinc/18/96/47/642189647.db2.gz KTRFVWPTVCHFFI-INIZCTEOSA-N 2 1 318.377 2.155 20 5 DEBDMP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)CC2)cc1 ZINC000902465996 643049658 /nfs/dbraw/zinc/04/96/58/643049658.db2.gz IKJAIUNICIDOBZ-IAOVAPTHSA-N 2 1 316.405 2.046 20 5 DEBDMP [NH3+]C1CC([NH2+]Cc2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 ZINC000906510486 644267979 /nfs/dbraw/zinc/26/79/79/644267979.db2.gz KCQDZNMLMHHHSG-UHFFFAOYSA-N 2 1 304.394 2.164 20 5 DEBDMP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819043040 647571033 /nfs/dbraw/zinc/57/10/33/647571033.db2.gz OXQQTLOHLOOJTP-QGZVFWFLSA-N 2 1 321.421 2.482 20 5 DEBDMP Cc1nn(C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)c1[N+](=O)[O-] ZINC000159996323 684324349 /nfs/dbraw/zinc/32/43/49/684324349.db2.gz GWXGCHWLVFSAFN-UHFFFAOYSA-N 2 1 323.441 2.419 20 5 DEBDMP C[N@H+]1C[C@@]2(C)CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931307563 694362359 /nfs/dbraw/zinc/36/23/59/694362359.db2.gz PTYKPLTUJNVGAM-CALCHBBNSA-N 2 1 319.405 2.247 20 5 DEBDMP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335461880 1150424273 /nfs/dbraw/zinc/42/42/73/1150424273.db2.gz ZQTNZGZPUKIFMZ-MRXNPFEDSA-N 2 1 309.410 2.196 20 5 DEBDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC001335461880 1150424282 /nfs/dbraw/zinc/42/42/82/1150424282.db2.gz ZQTNZGZPUKIFMZ-MRXNPFEDSA-N 2 1 309.410 2.196 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[NH2+]CC13CC3)CC2 ZINC001246132353 1140864557 /nfs/dbraw/zinc/86/45/57/1140864557.db2.gz LXBJVHDQKWXFND-ZBFHGGJFSA-N 2 1 301.390 2.184 20 5 DEBDMP C[N@H+]1CC[C@]2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280875 /nfs/dbraw/zinc/28/08/75/1143280875.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@]2(CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280893 /nfs/dbraw/zinc/28/08/93/1143280893.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@]2(CC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280909 /nfs/dbraw/zinc/28/09/09/1143280909.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 2 1 301.390 2.090 20 5 DEBDMP C[C@@H]1CC2(C[N@H+]1CCOc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424302450 230615006 /nfs/dbraw/zinc/61/50/06/230615006.db2.gz ZNXQTYRJIQYTAS-CQSZACIVSA-N 2 1 319.405 2.438 20 5 DEBDMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598993433 359377842 /nfs/dbraw/zinc/37/78/42/359377842.db2.gz BQBPNJUOKOOOGN-AWEZNQCLSA-N 2 1 307.394 2.425 20 5 DEBDMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598993433 359377845 /nfs/dbraw/zinc/37/78/45/359377845.db2.gz BQBPNJUOKOOOGN-AWEZNQCLSA-N 2 1 307.394 2.425 20 5 DEBDMP CCCC[N@@H+](C)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176243313 402293970 /nfs/dbraw/zinc/29/39/70/402293970.db2.gz UTVKPJFKTBXTLQ-UHFFFAOYSA-N 2 1 323.441 2.235 20 5 DEBDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc([N+](=O)[O-])c2)s1 ZINC000352758147 404598925 /nfs/dbraw/zinc/59/89/25/404598925.db2.gz GHOAHINKQLLKGM-UHFFFAOYSA-N 2 1 320.418 2.445 20 5 DEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835199 404744456 /nfs/dbraw/zinc/74/44/56/404744456.db2.gz HKAUTIZGWDFUJL-GXTWGEPZSA-N 2 1 322.409 2.275 20 5 DEBDMP CC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629479 404998973 /nfs/dbraw/zinc/99/89/73/404998973.db2.gz XQHRHKZFNAFNGI-CQSZACIVSA-N 2 1 307.394 2.438 20 5 DEBDMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734872 406024618 /nfs/dbraw/zinc/02/46/18/406024618.db2.gz OSJCAYLHNBANSL-ZDUSSCGKSA-N 2 1 307.394 2.425 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000278341459 275037950 /nfs/dbraw/zinc/03/79/50/275037950.db2.gz XRAYJUWZPBSZPQ-RDJZCZTQSA-N 2 1 319.405 2.019 20 5 DEBDMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331910342 276151507 /nfs/dbraw/zinc/15/15/07/276151507.db2.gz MVEICNODJNHTCN-HUUCEWRRSA-N 2 1 321.425 2.349 20 5 DEBDMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479301 326158303 /nfs/dbraw/zinc/15/83/03/326158303.db2.gz RYOSRBUGGDOGMK-RBSFLKMASA-N 2 1 321.425 2.206 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500903 637217470 /nfs/dbraw/zinc/21/74/70/637217470.db2.gz ROTZEGKHUXADEP-QWHCGFSZSA-N 2 1 307.394 2.410 20 5 DEBDMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc([N+](=O)[O-])c1 ZINC000903086504 643243953 /nfs/dbraw/zinc/24/39/53/643243953.db2.gz OERCHZWZODWIOE-NSHDSACASA-N 2 1 304.350 2.459 20 5 DEBDMP COc1cc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc([N+](=O)[O-])c1 ZINC000903151285 643275028 /nfs/dbraw/zinc/27/50/28/643275028.db2.gz DCAAUYRNTUSLIW-NSHDSACASA-N 2 1 304.350 2.230 20 5 DEBDMP [NH3+]CCCCCCC[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000844221975 651096014 /nfs/dbraw/zinc/09/60/14/651096014.db2.gz ZUMSEIDWDIKICR-AWEZNQCLSA-N 2 1 321.425 2.385 20 5 DEBDMP Cc1c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000873048547 689148698 /nfs/dbraw/zinc/14/86/98/689148698.db2.gz DFQAJJGIKJKBIH-INIZCTEOSA-N 2 1 321.421 2.230 20 5 DEBDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925848188 693352718 /nfs/dbraw/zinc/35/27/18/693352718.db2.gz BQXBXGGLNJVONE-HNNXBMFYSA-N 2 1 320.437 2.321 20 5 DEBDMP C[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899714 793523200 /nfs/dbraw/zinc/52/32/00/793523200.db2.gz OWTVANSDTUSZQI-CZUORRHYSA-N 2 1 303.406 2.384 20 5 DEBDMP CC(C)N(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)C(C)(C)C[NH3+] ZINC001163189729 799273001 /nfs/dbraw/zinc/27/30/01/799273001.db2.gz YCZRRFWYHARGGJ-BQYQJAHWSA-N 2 1 321.425 2.474 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423297501 282955181 /nfs/dbraw/zinc/95/51/81/282955181.db2.gz KNNJGJAQLBBVJI-RDBSUJKOSA-N 2 1 309.414 2.382 20 5 DEBDMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1[N+](=O)[O-] ZINC000237110840 356294508 /nfs/dbraw/zinc/29/45/08/356294508.db2.gz IAFDRWJTGQAMFL-UHFFFAOYSA-N 2 1 320.437 2.020 20 5 DEBDMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730825 358132691 /nfs/dbraw/zinc/13/26/91/358132691.db2.gz HQRRIIQLWVIPPB-ZIAGYGMSSA-N 2 1 307.394 2.423 20 5 DEBDMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449103986 240052360 /nfs/dbraw/zinc/05/23/60/240052360.db2.gz DANKISSXEVYSRZ-CQSZACIVSA-N 2 1 321.421 2.226 20 5 DEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269623265 403151033 /nfs/dbraw/zinc/15/10/33/403151033.db2.gz BVMVOGWGZGPZRV-KRWDZBQOSA-N 2 1 321.421 2.433 20 5 DEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269623265 403151034 /nfs/dbraw/zinc/15/10/34/403151034.db2.gz BVMVOGWGZGPZRV-KRWDZBQOSA-N 2 1 321.421 2.433 20 5 DEBDMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293988227 403617155 /nfs/dbraw/zinc/61/71/55/403617155.db2.gz BUSRSSZPLLQISG-NWDGAFQWSA-N 2 1 315.377 2.287 20 5 DEBDMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000370062169 404320586 /nfs/dbraw/zinc/32/05/86/404320586.db2.gz XJKQOYVLTVRZKL-CQSZACIVSA-N 2 1 321.425 2.303 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000342106096 404371412 /nfs/dbraw/zinc/37/14/12/404371412.db2.gz OSBJGJJOULENJA-UHOFOFEASA-N 2 1 305.378 2.033 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500901 637217726 /nfs/dbraw/zinc/21/77/26/637217726.db2.gz ROTZEGKHUXADEP-CHWSQXEVSA-N 2 1 307.394 2.410 20 5 DEBDMP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903736488 643448770 /nfs/dbraw/zinc/44/87/70/643448770.db2.gz JTPLQKXXTAUQOZ-HNNXBMFYSA-N 2 1 318.421 2.107 20 5 DEBDMP COc1cc(C[N@@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000843055827 650879336 /nfs/dbraw/zinc/87/93/36/650879336.db2.gz PNDMMKLMYROKQP-UHFFFAOYSA-N 2 1 323.393 2.314 20 5 DEBDMP C[N@@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000843355759 650956218 /nfs/dbraw/zinc/95/62/18/650956218.db2.gz WMPDPDCSLVMZCW-UHFFFAOYSA-N 2 1 320.393 2.125 20 5 DEBDMP COCC[N@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000877665031 690182436 /nfs/dbraw/zinc/18/24/36/690182436.db2.gz DHDAXXAICGNQFL-UHFFFAOYSA-N 2 1 321.421 2.385 20 5 DEBDMP C[N@@H+]1CC[C@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569800 690675404 /nfs/dbraw/zinc/67/54/04/690675404.db2.gz BQMACLZMKRSQET-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CC[C@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569800 690675408 /nfs/dbraw/zinc/67/54/08/690675408.db2.gz BQMACLZMKRSQET-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569800 690675410 /nfs/dbraw/zinc/67/54/10/690675410.db2.gz BQMACLZMKRSQET-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569800 690675415 /nfs/dbraw/zinc/67/54/15/690675415.db2.gz BQMACLZMKRSQET-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[C@H]1CCCC[N@H+]1CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350030 1150398796 /nfs/dbraw/zinc/39/87/96/1150398796.db2.gz ATNISWFTRKBPCS-YOEHRIQHSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350030 1150398800 /nfs/dbraw/zinc/39/88/00/1150398800.db2.gz ATNISWFTRKBPCS-YOEHRIQHSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350030 1150398804 /nfs/dbraw/zinc/39/88/04/1150398804.db2.gz ATNISWFTRKBPCS-YOEHRIQHSA-N 2 1 321.421 2.482 20 5 DEBDMP CC(C)C[N@@H+](C)CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620040 1152095773 /nfs/dbraw/zinc/09/57/73/1152095773.db2.gz AAQFSIMQKPUQKL-INIZCTEOSA-N 2 1 309.410 2.196 20 5 DEBDMP CC(C)C[N@H+](C)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620040 1152095778 /nfs/dbraw/zinc/09/57/78/1152095778.db2.gz AAQFSIMQKPUQKL-INIZCTEOSA-N 2 1 309.410 2.196 20 5 DEBDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620040 1152095783 /nfs/dbraw/zinc/09/57/83/1152095783.db2.gz AAQFSIMQKPUQKL-INIZCTEOSA-N 2 1 309.410 2.196 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@](C)(C[NH3+])C2)ncc1[N+](=O)[O-] ZINC001158682424 798449833 /nfs/dbraw/zinc/44/98/33/798449833.db2.gz DPXAMKSENIAPRX-WHWKNOJMSA-N 2 1 319.409 2.087 20 5 DEBDMP C[C@H](OCCC[N+](C)(C)C)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC001224622705 802887319 /nfs/dbraw/zinc/88/73/19/802887319.db2.gz IXZCQHIKEMSINO-HKUYNNGSSA-N 2 1 321.485 2.389 20 5 DEBDMP C[C@H](OCCC[N+](C)(C)C)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC001224622705 802887323 /nfs/dbraw/zinc/88/73/23/802887323.db2.gz IXZCQHIKEMSINO-HKUYNNGSSA-N 2 1 321.485 2.389 20 5 DEBDMP C[NH2+]CCC[N@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001578687355 1067150320 /nfs/dbraw/zinc/15/03/20/1067150320.db2.gz WESHQMLIVZXWNR-WKILWMFISA-N 2 1 321.421 2.310 20 5 DEBDMP C[NH2+]CCC[N@@H+](Cc1ccccc1[N+](=O)[O-])[C@H]1CC[C@H](O)CC1 ZINC001578687355 1067150322 /nfs/dbraw/zinc/15/03/22/1067150322.db2.gz WESHQMLIVZXWNR-WKILWMFISA-N 2 1 321.421 2.310 20 5 DEBDMP COc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001579179954 1067250581 /nfs/dbraw/zinc/25/05/81/1067250581.db2.gz JVRBDZDLAJNLGV-BBRMVZONSA-N 2 1 305.378 2.164 20 5 DEBDMP COc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC001579179954 1067250589 /nfs/dbraw/zinc/25/05/89/1067250589.db2.gz JVRBDZDLAJNLGV-BBRMVZONSA-N 2 1 305.378 2.164 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001580874546 1076010441 /nfs/dbraw/zinc/01/04/41/1076010441.db2.gz ALEMTMBNIFCWPO-IRXDYDNUSA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001580874546 1076010446 /nfs/dbraw/zinc/01/04/46/1076010446.db2.gz ALEMTMBNIFCWPO-IRXDYDNUSA-N 2 1 319.405 2.094 20 5 DEBDMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246332618 1140885032 /nfs/dbraw/zinc/88/50/32/1140885032.db2.gz QQBKXVVMAGJKBG-NUTKFTJISA-N 2 1 303.406 2.430 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247015636 1141247090 /nfs/dbraw/zinc/24/70/90/1141247090.db2.gz PFJMRVMNAHZNJH-IAOVAPTHSA-N 2 1 301.390 2.136 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@H]([N@H+]1CC[C@H]3[NH2+]CCC[C@H]3C1)C2 ZINC001247015636 1141247135 /nfs/dbraw/zinc/24/71/35/1141247135.db2.gz PFJMRVMNAHZNJH-IAOVAPTHSA-N 2 1 301.390 2.136 20 5 DEBDMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507793 358469006 /nfs/dbraw/zinc/46/90/06/358469006.db2.gz QWPXNDNYTLJAQT-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507793 358469009 /nfs/dbraw/zinc/46/90/09/358469009.db2.gz QWPXNDNYTLJAQT-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507793 358469012 /nfs/dbraw/zinc/46/90/12/358469012.db2.gz QWPXNDNYTLJAQT-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000595507793 358469016 /nfs/dbraw/zinc/46/90/16/358469016.db2.gz QWPXNDNYTLJAQT-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP CC[C@@H]1C[N@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592487921 357884871 /nfs/dbraw/zinc/88/48/71/357884871.db2.gz CCPBEZLSETTWKY-TZMCWYRMSA-N 2 1 323.393 2.041 20 5 DEBDMP CC[C@@H]1C[N@@H+](CCOc2ccc(OC)cc2[N+](=O)[O-])CC[C@H]1[NH3+] ZINC000592487921 357884873 /nfs/dbraw/zinc/88/48/73/357884873.db2.gz CCPBEZLSETTWKY-TZMCWYRMSA-N 2 1 323.393 2.041 20 5 DEBDMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000601118298 359927642 /nfs/dbraw/zinc/92/76/42/359927642.db2.gz CETLDPVMAHSSFB-NEPJUHHUSA-N 2 1 300.362 2.460 20 5 DEBDMP C[C@@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000601118298 359927647 /nfs/dbraw/zinc/92/76/47/359927647.db2.gz CETLDPVMAHSSFB-NEPJUHHUSA-N 2 1 300.362 2.460 20 5 DEBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000160740870 197435292 /nfs/dbraw/zinc/43/52/92/197435292.db2.gz WVRZMDCXBROBBG-WMLDXEAASA-N 2 1 321.421 2.482 20 5 DEBDMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268839032 207003760 /nfs/dbraw/zinc/00/37/60/207003760.db2.gz MWSSRSLUVLZEOJ-JKSUJKDBSA-N 2 1 307.394 2.092 20 5 DEBDMP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc([N+](=O)[O-])cc1 ZINC000368536883 133277158 /nfs/dbraw/zinc/27/71/58/133277158.db2.gz FLROCLRCMSMQHU-APHBMKBZSA-N 2 1 305.378 2.109 20 5 DEBDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282290728 403140425 /nfs/dbraw/zinc/14/04/25/403140425.db2.gz LQZQHAAEPMKZEU-AWEZNQCLSA-N 2 1 320.437 2.271 20 5 DEBDMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158177 403250248 /nfs/dbraw/zinc/25/02/48/403250248.db2.gz PRUBWDDFHZOSLH-RYUDHWBXSA-N 2 1 304.394 2.312 20 5 DEBDMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293864330 403585287 /nfs/dbraw/zinc/58/52/87/403585287.db2.gz UQVYBNZSNDFLPO-NSHDSACASA-N 2 1 304.394 2.454 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351497519 404610334 /nfs/dbraw/zinc/61/03/34/404610334.db2.gz UAMAMZCBXUCIIN-TUKIKUTGSA-N 2 1 305.378 2.163 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351497519 404610341 /nfs/dbraw/zinc/61/03/41/404610341.db2.gz UAMAMZCBXUCIIN-TUKIKUTGSA-N 2 1 305.378 2.163 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321035 405318876 /nfs/dbraw/zinc/31/88/76/405318876.db2.gz CDSBSIPYVHJSRP-LSDHHAIUSA-N 2 1 319.405 2.295 20 5 DEBDMP [NH3+]C[C@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000420377305 405337777 /nfs/dbraw/zinc/33/77/77/405337777.db2.gz VZSOVAYEVMQQER-INIZCTEOSA-N 2 1 307.394 2.471 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430574903 405460350 /nfs/dbraw/zinc/46/03/50/405460350.db2.gz URDBQGZLWMMSKR-INIZCTEOSA-N 2 1 322.409 2.195 20 5 DEBDMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423296488 405752516 /nfs/dbraw/zinc/75/25/16/405752516.db2.gz HALFHFIHBLLYTQ-TZMCWYRMSA-N 2 1 322.409 2.419 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397398242 269106048 /nfs/dbraw/zinc/10/60/48/269106048.db2.gz QAJDADPNZYXWSQ-OBJOEFQTSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397398242 269106049 /nfs/dbraw/zinc/10/60/49/269106049.db2.gz QAJDADPNZYXWSQ-OBJOEFQTSA-N 2 1 307.394 2.409 20 5 DEBDMP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C[NH3+] ZINC000923498791 637216133 /nfs/dbraw/zinc/21/61/33/637216133.db2.gz QAIOQJMAKLJNMJ-GHMZBOCLSA-N 2 1 304.350 2.153 20 5 DEBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903954290 643529361 /nfs/dbraw/zinc/52/93/61/643529361.db2.gz CMIQGNCVLPQGCC-MASHWEEQSA-N 2 1 311.332 2.442 20 5 DEBDMP C[NH+](C)CC1CC[NH+](c2ccc(NCC[N+](=O)[O-])cc2)CC1 ZINC000905323890 643864948 /nfs/dbraw/zinc/86/49/48/643864948.db2.gz HVPATJWFLIMKGZ-UHFFFAOYSA-N 2 1 306.410 2.153 20 5 DEBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560257 647031019 /nfs/dbraw/zinc/03/10/19/647031019.db2.gz BZHKQNNYYSVZJN-IACUBPJLSA-N 2 1 304.394 2.454 20 5 DEBDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560257 647031024 /nfs/dbraw/zinc/03/10/24/647031024.db2.gz BZHKQNNYYSVZJN-IACUBPJLSA-N 2 1 304.394 2.454 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869790 692215998 /nfs/dbraw/zinc/21/59/98/692215998.db2.gz IIOBQXAPICWYEB-QGZVFWFLSA-N 2 1 319.405 2.439 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886869790 692216001 /nfs/dbraw/zinc/21/60/01/692216001.db2.gz IIOBQXAPICWYEB-QGZVFWFLSA-N 2 1 319.405 2.439 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173232440 793644730 /nfs/dbraw/zinc/64/47/30/793644730.db2.gz GINBANSUJFURQG-ZDUSSCGKSA-N 2 1 300.362 2.281 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173232440 793644731 /nfs/dbraw/zinc/64/47/31/793644731.db2.gz GINBANSUJFURQG-ZDUSSCGKSA-N 2 1 300.362 2.281 20 5 DEBDMP CC(C)N(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@@H]1CC[NH2+]C1 ZINC001158032591 798330282 /nfs/dbraw/zinc/33/02/82/798330282.db2.gz JBDKJIRPMSRJLC-IZPAUZPXSA-N 2 1 319.409 2.099 20 5 DEBDMP C[C@H]1CC[C@H](C[NH3+])N(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001164072588 799502648 /nfs/dbraw/zinc/50/26/48/799502648.db2.gz AGTQTQLVMSTJMX-XFUXEANSSA-N 2 1 319.409 2.086 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001658175764 1080200897 /nfs/dbraw/zinc/20/08/97/1080200897.db2.gz QFYYDXZMKIQENY-MELADBBJSA-N 2 1 305.378 2.033 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](C)C[C@@H]32)cc1[N+](=O)[O-] ZINC001658175764 1080200904 /nfs/dbraw/zinc/20/09/04/1080200904.db2.gz QFYYDXZMKIQENY-MELADBBJSA-N 2 1 305.378 2.033 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246087020 1140858919 /nfs/dbraw/zinc/85/89/19/1140858919.db2.gz XWKFDORIJQYOGO-SCRDCRAPSA-N 2 1 307.394 2.265 20 5 DEBDMP C[C@H]1C[N@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C[NH3+] ZINC001246542382 1140947698 /nfs/dbraw/zinc/94/76/98/1140947698.db2.gz OWWJXBBRPZWYEU-APHBMKBZSA-N 2 1 303.406 2.369 20 5 DEBDMP C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1C[NH3+] ZINC001246558641 1140961246 /nfs/dbraw/zinc/96/12/46/1140961246.db2.gz NTCGBVBHGQCIRZ-HACGYAERSA-N 2 1 303.406 2.369 20 5 DEBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314691 358053202 /nfs/dbraw/zinc/05/32/02/358053202.db2.gz FNYVJKWNGVIQPB-ZMSDIMECSA-N 2 1 319.405 2.313 20 5 DEBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059672 205066340 /nfs/dbraw/zinc/06/63/40/205066340.db2.gz AMAPRNRDNLXPFH-GXTWGEPZSA-N 2 1 307.394 2.423 20 5 DEBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059672 205066341 /nfs/dbraw/zinc/06/63/41/205066341.db2.gz AMAPRNRDNLXPFH-GXTWGEPZSA-N 2 1 307.394 2.423 20 5 DEBDMP C[NH+](C)CC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC000332199277 403512865 /nfs/dbraw/zinc/51/28/65/403512865.db2.gz CXFNHICQGHSMMT-UHFFFAOYSA-N 2 1 317.393 2.245 20 5 DEBDMP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000344790329 404369649 /nfs/dbraw/zinc/36/96/49/404369649.db2.gz IKWPBWBYYPXOOK-ZGUWOUCSSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H](O)C[NH3+] ZINC000415069933 404800754 /nfs/dbraw/zinc/80/07/54/404800754.db2.gz PQBNDONJRGZWDQ-NSHDSACASA-N 2 1 321.402 2.075 20 5 DEBDMP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@@H](O)C[NH3+] ZINC000415069933 404800756 /nfs/dbraw/zinc/80/07/56/404800756.db2.gz PQBNDONJRGZWDQ-NSHDSACASA-N 2 1 321.402 2.075 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000447543013 405417278 /nfs/dbraw/zinc/41/72/78/405417278.db2.gz KOAANDXTSIUVAW-TUVASFSCSA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000447543013 405417279 /nfs/dbraw/zinc/41/72/79/405417279.db2.gz KOAANDXTSIUVAW-TUVASFSCSA-N 2 1 321.425 2.347 20 5 DEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430573938 405459900 /nfs/dbraw/zinc/45/99/00/405459900.db2.gz NGFTUCGTCWRBAM-CYBMUJFWSA-N 2 1 322.409 2.229 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430588345 405462499 /nfs/dbraw/zinc/46/24/99/405462499.db2.gz DJCKRADBSXSRQW-MRXNPFEDSA-N 2 1 322.409 2.195 20 5 DEBDMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479300 326158266 /nfs/dbraw/zinc/15/82/66/326158266.db2.gz RYOSRBUGGDOGMK-QLFBSQMISA-N 2 1 321.425 2.206 20 5 DEBDMP C[C@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC[C@@H]1C[NH3+] ZINC000923498798 637216483 /nfs/dbraw/zinc/21/64/83/637216483.db2.gz QAIOQJMAKLJNMJ-WDEREUQCSA-N 2 1 304.350 2.153 20 5 DEBDMP C[C@H](C[NH2+][C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23)c1ccccc1[N+](=O)[O-] ZINC000902428486 643034901 /nfs/dbraw/zinc/03/49/01/643034901.db2.gz DLAAOBCQHYZQDM-DVMXTWATSA-N 2 1 301.390 2.284 20 5 DEBDMP C[C@@H]1C[N@@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CC[NH3+] ZINC000903496761 643372558 /nfs/dbraw/zinc/37/25/58/643372558.db2.gz BXIREOUHQYEFAX-GHMZBOCLSA-N 2 1 304.350 2.153 20 5 DEBDMP C[N@@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC([NH3+])CC1 ZINC000843055514 650879249 /nfs/dbraw/zinc/87/92/49/650879249.db2.gz DWIOLODVVJYUJH-UHFFFAOYSA-N 2 1 321.377 2.068 20 5 DEBDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819101671 647583917 /nfs/dbraw/zinc/58/39/17/647583917.db2.gz XIPKHHDOOKIOSR-INIZCTEOSA-N 2 1 318.377 2.203 20 5 DEBDMP CC(C)[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCC1 ZINC000876922667 689973807 /nfs/dbraw/zinc/97/38/07/689973807.db2.gz GXGUPWLXTNSMIG-ZBCRRDGASA-N 2 1 321.425 2.205 20 5 DEBDMP C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442792590 529926432 /nfs/dbraw/zinc/92/64/32/529926432.db2.gz QSVRWOKTTAFXDK-NNQSOWQGSA-N 2 1 305.378 2.188 20 5 DEBDMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886023 198264459 /nfs/dbraw/zinc/26/44/59/198264459.db2.gz UAPYDGUVCHMHEQ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886023 198264460 /nfs/dbraw/zinc/26/44/60/198264460.db2.gz UAPYDGUVCHMHEQ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886023 198264461 /nfs/dbraw/zinc/26/44/61/198264461.db2.gz UAPYDGUVCHMHEQ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886023 198264462 /nfs/dbraw/zinc/26/44/62/198264462.db2.gz UAPYDGUVCHMHEQ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314689 358053060 /nfs/dbraw/zinc/05/30/60/358053060.db2.gz FNYVJKWNGVIQPB-INMHGKMJSA-N 2 1 319.405 2.313 20 5 DEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000593733949 358132596 /nfs/dbraw/zinc/13/25/96/358132596.db2.gz OYCGENKKNKUEBQ-BBRMVZONSA-N 2 1 305.378 2.034 20 5 DEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331486 296240635 /nfs/dbraw/zinc/24/06/35/296240635.db2.gz QVUGKRUESJEDBP-UONOGXRCSA-N 2 1 319.405 2.343 20 5 DEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118409 145148812 /nfs/dbraw/zinc/14/88/12/145148812.db2.gz NAJLAQSNVKWMPF-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118409 145148813 /nfs/dbraw/zinc/14/88/13/145148813.db2.gz NAJLAQSNVKWMPF-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118409 145148814 /nfs/dbraw/zinc/14/88/14/145148814.db2.gz NAJLAQSNVKWMPF-WMLDXEAASA-N 2 1 319.405 2.390 20 5 DEBDMP Cc1c(NC(=O)CC[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000565158440 292138848 /nfs/dbraw/zinc/13/88/48/292138848.db2.gz UNWBXQGPXTXDQA-DGCLKSJQSA-N 2 1 320.393 2.043 20 5 DEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331483 405322211 /nfs/dbraw/zinc/32/22/11/405322211.db2.gz QVUGKRUESJEDBP-KGLIPLIRSA-N 2 1 319.405 2.343 20 5 DEBDMP COc1ccc(OCC[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559427 405457215 /nfs/dbraw/zinc/45/72/15/405457215.db2.gz SWXFGXHRSGLELH-QWHCGFSZSA-N 2 1 323.393 2.041 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559427 405457217 /nfs/dbraw/zinc/45/72/17/405457217.db2.gz SWXFGXHRSGLELH-QWHCGFSZSA-N 2 1 323.393 2.041 20 5 DEBDMP COc1cc(C[NH2+]CCCC[N@@H+](C)C2CC2)c([N+](=O)[O-])cc1O ZINC000453596534 536796484 /nfs/dbraw/zinc/79/64/84/536796484.db2.gz LQMKTRMLKBMFKP-UHFFFAOYSA-N 2 1 323.393 2.273 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923328944 637111956 /nfs/dbraw/zinc/11/19/56/637111956.db2.gz NNOIRSGAXUSGLM-BHYGNILZSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000923328944 637111960 /nfs/dbraw/zinc/11/19/60/637111960.db2.gz NNOIRSGAXUSGLM-BHYGNILZSA-N 2 1 319.405 2.092 20 5 DEBDMP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000903965185 643536712 /nfs/dbraw/zinc/53/67/12/643536712.db2.gz ZMLAWVZGRIGVDV-KOLCDFICSA-N 2 1 315.320 2.141 20 5 DEBDMP C[N@@H+](CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819361012 647643443 /nfs/dbraw/zinc/64/34/43/647643443.db2.gz FZXJNFBTMQOLQA-INIZCTEOSA-N 2 1 307.394 2.092 20 5 DEBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001168983459 784985224 /nfs/dbraw/zinc/98/52/24/784985224.db2.gz KGTIZIPHSSXPRU-WKULXVSPSA-N 2 1 315.417 2.152 20 5 DEBDMP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+][C@@H]2[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC001168983459 784985230 /nfs/dbraw/zinc/98/52/30/784985230.db2.gz KGTIZIPHSSXPRU-WKULXVSPSA-N 2 1 315.417 2.152 20 5 DEBDMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918852 793532470 /nfs/dbraw/zinc/53/24/70/793532470.db2.gz CRRWVNIKPIDKQK-BBWFWOEESA-N 2 1 315.417 2.336 20 5 DEBDMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918852 793532471 /nfs/dbraw/zinc/53/24/71/793532471.db2.gz CRRWVNIKPIDKQK-BBWFWOEESA-N 2 1 315.417 2.336 20 5 DEBDMP C[N@@H+]1CCc2c(N[C@H]3CCC[C@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404585 799079771 /nfs/dbraw/zinc/07/97/71/799079771.db2.gz OMUSWNPXSCPLTI-RYUDHWBXSA-N 2 1 304.394 2.265 20 5 DEBDMP C[N@H+]1CCc2c(N[C@H]3CCC[C@H]([NH3+])C3)ccc([N+](=O)[O-])c2C1 ZINC001162404585 799079780 /nfs/dbraw/zinc/07/97/80/799079780.db2.gz OMUSWNPXSCPLTI-RYUDHWBXSA-N 2 1 304.394 2.265 20 5 DEBDMP C[C@H]1CC[C@H](C[NH3+])CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164468287 799604069 /nfs/dbraw/zinc/60/40/69/799604069.db2.gz PZCSGDNMRWWDDV-VFZNBBLXSA-N 2 1 319.409 2.086 20 5 DEBDMP COc1cc(C[NH2+]Cc2ccccc2C[NH3+])c([N+](=O)[O-])cc1O ZINC001579154262 1067244967 /nfs/dbraw/zinc/24/49/67/1067244967.db2.gz ZYAHXKGBBHESKP-UHFFFAOYSA-N 2 1 317.345 2.058 20 5 DEBDMP C[NH+](C)[C@H](CNc1cc[nH+]c2ccc([N+](=O)[O-])cc12)C1CC1 ZINC000601113468 359925676 /nfs/dbraw/zinc/92/56/76/359925676.db2.gz GSRATTKDGHVGPJ-MRXNPFEDSA-N 2 1 300.362 2.317 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158644068 197291038 /nfs/dbraw/zinc/29/10/38/197291038.db2.gz BZBINYHTUCKGBE-CABCVRRESA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158644068 197291040 /nfs/dbraw/zinc/29/10/40/197291040.db2.gz BZBINYHTUCKGBE-CABCVRRESA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158644068 197291042 /nfs/dbraw/zinc/29/10/42/197291042.db2.gz BZBINYHTUCKGBE-CABCVRRESA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])CC[C@@H]21 ZINC000158644068 197291043 /nfs/dbraw/zinc/29/10/43/197291043.db2.gz BZBINYHTUCKGBE-CABCVRRESA-N 2 1 319.405 2.390 20 5 DEBDMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000128561553 401783293 /nfs/dbraw/zinc/78/32/93/401783293.db2.gz AFBYPBKQJZMUOR-OAHLLOKOSA-N 2 1 320.437 2.273 20 5 DEBDMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000282154436 403127874 /nfs/dbraw/zinc/12/78/74/403127874.db2.gz CYTFKDMBKCEBSL-AWEZNQCLSA-N 2 1 320.437 2.271 20 5 DEBDMP [NH3+]C1(C[NH2+]CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CCC1 ZINC000342130108 404386946 /nfs/dbraw/zinc/38/69/46/404386946.db2.gz LEHNWGQYDRJOHX-UHFFFAOYSA-N 2 1 316.361 2.263 20 5 DEBDMP C[N@@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H](O)C[NH3+] ZINC000415064094 404798671 /nfs/dbraw/zinc/79/86/71/404798671.db2.gz BSGYILMGYRNGTD-ZDUSSCGKSA-N 2 1 321.402 2.075 20 5 DEBDMP C[N@H+](Cc1ccc(-c2ccc([N+](=O)[O-])cc2)s1)C[C@@H](O)C[NH3+] ZINC000415064094 404798675 /nfs/dbraw/zinc/79/86/75/404798675.db2.gz BSGYILMGYRNGTD-ZDUSSCGKSA-N 2 1 321.402 2.075 20 5 DEBDMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279865 405306453 /nfs/dbraw/zinc/30/64/53/405306453.db2.gz XOIMQPQZUZDOOH-JSGCOSHPSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279865 405306455 /nfs/dbraw/zinc/30/64/55/405306455.db2.gz XOIMQPQZUZDOOH-JSGCOSHPSA-N 2 1 320.393 2.125 20 5 DEBDMP Cc1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423077005 230339642 /nfs/dbraw/zinc/33/96/42/230339642.db2.gz KZSCBEASEPLNTC-ARFHVFGLSA-N 2 1 319.405 2.150 20 5 DEBDMP COc1c(O)ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000894860386 637269651 /nfs/dbraw/zinc/26/96/51/637269651.db2.gz BWRRRIIXYLAQGK-GFCCVEGCSA-N 2 1 323.393 2.131 20 5 DEBDMP CC1(C)C[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000902450120 643045362 /nfs/dbraw/zinc/04/53/62/643045362.db2.gz QXSIBKMBFXVPIP-INIZCTEOSA-N 2 1 318.421 2.151 20 5 DEBDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560258 647030847 /nfs/dbraw/zinc/03/08/47/647030847.db2.gz BZHKQNNYYSVZJN-UBHSHLNASA-N 2 1 304.394 2.454 20 5 DEBDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560258 647030851 /nfs/dbraw/zinc/03/08/51/647030851.db2.gz BZHKQNNYYSVZJN-UBHSHLNASA-N 2 1 304.394 2.454 20 5 DEBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151406 647595630 /nfs/dbraw/zinc/59/56/30/647595630.db2.gz BLBRGCVXDYAPIH-PBHICJAKSA-N 2 1 321.421 2.196 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000819354980 647641662 /nfs/dbraw/zinc/64/16/62/647641662.db2.gz NRVOBJQXTKIFIU-QGZVFWFLSA-N 2 1 319.405 2.235 20 5 DEBDMP COc1ccc([N+](=O)[O-])c(C[C@H](C)n2c[nH+]cc2CC[NH3+])c1F ZINC001173176492 793619197 /nfs/dbraw/zinc/61/91/97/793619197.db2.gz JSORHBNQVAXDGI-JTQLQIEISA-N 2 1 322.340 2.244 20 5 DEBDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246118454 1140863040 /nfs/dbraw/zinc/86/30/40/1140863040.db2.gz QQBKXVVMAGJKBG-ISTRZQFTSA-N 2 1 303.406 2.430 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314690 358053355 /nfs/dbraw/zinc/05/33/55/358053355.db2.gz FNYVJKWNGVIQPB-UXLLHSPISA-N 2 1 319.405 2.313 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508692 147147618 /nfs/dbraw/zinc/14/76/18/147147618.db2.gz LTNUBAWJGSSZFD-UHFFFAOYSA-N 2 1 305.378 2.049 20 5 DEBDMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414804386 404739408 /nfs/dbraw/zinc/73/94/08/404739408.db2.gz XMSOEGJKUISBMU-HNNXBMFYSA-N 2 1 317.393 2.068 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338418 405325018 /nfs/dbraw/zinc/32/50/18/405325018.db2.gz XYFFOPRECPGUEO-LSDHHAIUSA-N 2 1 319.405 2.295 20 5 DEBDMP C[C@@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH+]cn1C ZINC000530407213 405796431 /nfs/dbraw/zinc/79/64/31/405796431.db2.gz BVYDSLKUTJJPFX-ZDUSSCGKSA-N 2 1 302.378 2.482 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423480063 405819108 /nfs/dbraw/zinc/81/91/08/405819108.db2.gz ORZSUJZQXAUVIJ-DGCLKSJQSA-N 2 1 313.348 2.360 20 5 DEBDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279866 274238810 /nfs/dbraw/zinc/23/88/10/274238810.db2.gz XOIMQPQZUZDOOH-OCCSQVGLSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420279866 274238812 /nfs/dbraw/zinc/23/88/12/274238812.db2.gz XOIMQPQZUZDOOH-OCCSQVGLSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058035 650417001 /nfs/dbraw/zinc/41/70/01/650417001.db2.gz FRRVVNKJNNIRDF-SUMWQHHRSA-N 2 1 318.421 2.151 20 5 DEBDMP C[N@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796459965 644741377 /nfs/dbraw/zinc/74/13/77/644741377.db2.gz XCKSPWOSBZCIKI-FCLJQHQZSA-N 2 1 319.405 2.185 20 5 DEBDMP C[N@@H+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796459965 644741381 /nfs/dbraw/zinc/74/13/81/644741381.db2.gz XCKSPWOSBZCIKI-FCLJQHQZSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796459965 644741388 /nfs/dbraw/zinc/74/13/88/644741388.db2.gz XCKSPWOSBZCIKI-FCLJQHQZSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796459965 644741393 /nfs/dbraw/zinc/74/13/93/644741393.db2.gz XCKSPWOSBZCIKI-FCLJQHQZSA-N 2 1 319.405 2.185 20 5 DEBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925630963 693312414 /nfs/dbraw/zinc/31/24/14/693312414.db2.gz VLOQMAGRYQCZEH-LTDJIEQWSA-N 2 1 321.808 2.377 20 5 DEBDMP C[C@@H]1CC[C@H](C[NH3+])N(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001164072587 799502630 /nfs/dbraw/zinc/50/26/30/799502630.db2.gz AGTQTQLVMSTJMX-WQYAIIHGSA-N 2 1 319.409 2.086 20 5 DEBDMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1[N+](=O)[O-] ZINC000237165817 202172867 /nfs/dbraw/zinc/17/28/67/202172867.db2.gz XSMKTRBAMBFTCW-CYBMUJFWSA-N 2 1 307.394 2.425 20 5 DEBDMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998484 403237703 /nfs/dbraw/zinc/23/77/03/403237703.db2.gz HSFOOKBSJGZVQR-TUKIKUTGSA-N 2 1 304.394 2.454 20 5 DEBDMP COC[C@]1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952876 404774592 /nfs/dbraw/zinc/77/45/92/404774592.db2.gz ITQGRMKZHDNHNV-RHSMWYFYSA-N 2 1 321.421 2.274 20 5 DEBDMP C[NH+](C)CCOC1CC[NH+](Cc2csc([N+](=O)[O-])c2)CC1 ZINC000353530279 404858439 /nfs/dbraw/zinc/85/84/39/404858439.db2.gz LPZUNSISOFXQQI-UHFFFAOYSA-N 2 1 313.423 2.199 20 5 DEBDMP C[N@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796459969 644741552 /nfs/dbraw/zinc/74/15/52/644741552.db2.gz XCKSPWOSBZCIKI-WFVVYAPDSA-N 2 1 319.405 2.185 20 5 DEBDMP C[N@@H+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000796459969 644741554 /nfs/dbraw/zinc/74/15/54/644741554.db2.gz XCKSPWOSBZCIKI-WFVVYAPDSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000796459969 644741555 /nfs/dbraw/zinc/74/15/55/644741555.db2.gz XCKSPWOSBZCIKI-WFVVYAPDSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000796459969 644741557 /nfs/dbraw/zinc/74/15/57/644741557.db2.gz XCKSPWOSBZCIKI-WFVVYAPDSA-N 2 1 319.405 2.185 20 5 DEBDMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907126 647379068 /nfs/dbraw/zinc/37/90/68/647379068.db2.gz KJUSNKGKDSYISD-BHYNMZESSA-N 2 1 313.785 2.090 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCC[C@H](C)C1 ZINC000876932303 689975720 /nfs/dbraw/zinc/97/57/20/689975720.db2.gz JFVMYRJDPULSKL-ZUJMUWTESA-N 2 1 321.425 2.205 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCC[C@H](C)C1 ZINC000876932303 689975723 /nfs/dbraw/zinc/97/57/23/689975723.db2.gz JFVMYRJDPULSKL-ZUJMUWTESA-N 2 1 321.425 2.205 20 5 DEBDMP CC(C)C[N@@H+](C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877609316 690166387 /nfs/dbraw/zinc/16/63/87/690166387.db2.gz KHVSWRQNYOBKRR-UHFFFAOYSA-N 2 1 309.414 2.062 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173223538 793640677 /nfs/dbraw/zinc/64/06/77/793640677.db2.gz GJBHIZGQJRISKC-IMJJTQAJSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173223538 793640680 /nfs/dbraw/zinc/64/06/80/793640680.db2.gz GJBHIZGQJRISKC-IMJJTQAJSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173223538 793640681 /nfs/dbraw/zinc/64/06/81/793640681.db2.gz GJBHIZGQJRISKC-IMJJTQAJSA-N 2 1 303.406 2.409 20 5 DEBDMP C[NH+](C)/C=C\c1cc(N2CCC[C@@H]2C[NH+](C)C)ncc1[N+](=O)[O-] ZINC001165076349 799646290 /nfs/dbraw/zinc/64/62/90/799646290.db2.gz HUQUFSSRLOYATI-IUCKJTJTSA-N 2 1 319.409 2.053 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553334 1140959053 /nfs/dbraw/zinc/95/90/53/1140959053.db2.gz AUIVKDYHMYXOKD-YPMHNXCESA-N 2 1 313.348 2.442 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@@H](C[NH3+])C1 ZINC001246553334 1140959060 /nfs/dbraw/zinc/95/90/60/1140959060.db2.gz AUIVKDYHMYXOKD-YPMHNXCESA-N 2 1 313.348 2.442 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089580589 355536888 /nfs/dbraw/zinc/53/68/88/355536888.db2.gz SLUMTNICRHSBHN-CJNGLKHVSA-N 2 1 307.394 2.294 20 5 DEBDMP C[N@H+]1CCC[C@@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073765 401978455 /nfs/dbraw/zinc/97/84/55/401978455.db2.gz KYHRKISXQIUPCL-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073765 401978457 /nfs/dbraw/zinc/97/84/57/401978457.db2.gz KYHRKISXQIUPCL-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073765 401978458 /nfs/dbraw/zinc/97/84/58/401978458.db2.gz KYHRKISXQIUPCL-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073765 401978461 /nfs/dbraw/zinc/97/84/61/401978461.db2.gz KYHRKISXQIUPCL-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073765 401978462 /nfs/dbraw/zinc/97/84/62/401978462.db2.gz KYHRKISXQIUPCL-PVAVHDDUSA-N 2 1 319.405 2.044 20 5 DEBDMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000154734815 402228914 /nfs/dbraw/zinc/22/89/14/402228914.db2.gz GJVPWWZPGUUAMQ-UHFFFAOYSA-N 2 1 307.394 2.377 20 5 DEBDMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158179 403250270 /nfs/dbraw/zinc/25/02/70/403250270.db2.gz PRUBWDDFHZOSLH-VXGBXAGGSA-N 2 1 304.394 2.312 20 5 DEBDMP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352477855 286346376 /nfs/dbraw/zinc/34/63/76/286346376.db2.gz PLZXDBILFLQMEH-CYBMUJFWSA-N 2 1 323.393 2.186 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCCC[C@@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352477855 286346377 /nfs/dbraw/zinc/34/63/77/286346377.db2.gz PLZXDBILFLQMEH-CYBMUJFWSA-N 2 1 323.393 2.186 20 5 DEBDMP COc1ccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435620634 404997077 /nfs/dbraw/zinc/99/70/77/404997077.db2.gz DUKOHFPJMNFFBL-ZDUSSCGKSA-N 2 1 323.393 2.056 20 5 DEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321583 229652745 /nfs/dbraw/zinc/65/27/45/229652745.db2.gz CXTFXKZKVNQPPJ-CVEARBPZSA-N 2 1 303.406 2.459 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397393904 269106303 /nfs/dbraw/zinc/10/63/03/269106303.db2.gz ORMDRNJIRZKXTR-BZPMIXESSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1[N+](=O)[O-] ZINC000397393904 269106305 /nfs/dbraw/zinc/10/63/05/269106305.db2.gz ORMDRNJIRZKXTR-BZPMIXESSA-N 2 1 307.394 2.409 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688111 638671466 /nfs/dbraw/zinc/67/14/66/638671466.db2.gz IWQVQOSIARSMFK-UKPHBRMFSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688111 638671472 /nfs/dbraw/zinc/67/14/72/638671472.db2.gz IWQVQOSIARSMFK-UKPHBRMFSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688111 638671477 /nfs/dbraw/zinc/67/14/77/638671477.db2.gz IWQVQOSIARSMFK-UKPHBRMFSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688111 638671481 /nfs/dbraw/zinc/67/14/81/638671481.db2.gz IWQVQOSIARSMFK-UKPHBRMFSA-N 2 1 321.421 2.433 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000765789565 640818645 /nfs/dbraw/zinc/81/86/45/640818645.db2.gz BAOGPMUHEMQCQR-IMJJTQAJSA-N 2 1 319.405 2.417 20 5 DEBDMP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765846173 640823843 /nfs/dbraw/zinc/82/38/43/640823843.db2.gz UNMVGEBRLIYOAP-KRWDZBQOSA-N 2 1 321.421 2.338 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277571 642153247 /nfs/dbraw/zinc/15/32/47/642153247.db2.gz OCZAULQMLLJGQO-RRQGHBQHSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277571 642153251 /nfs/dbraw/zinc/15/32/51/642153251.db2.gz OCZAULQMLLJGQO-RRQGHBQHSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277571 642153255 /nfs/dbraw/zinc/15/32/55/642153255.db2.gz OCZAULQMLLJGQO-RRQGHBQHSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277571 642153260 /nfs/dbraw/zinc/15/32/60/642153260.db2.gz OCZAULQMLLJGQO-RRQGHBQHSA-N 2 1 321.421 2.433 20 5 DEBDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000776591568 642190289 /nfs/dbraw/zinc/19/02/89/642190289.db2.gz KHFSUZKYRXCJHR-UHOFOFEASA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591568 642190293 /nfs/dbraw/zinc/19/02/93/642190293.db2.gz KHFSUZKYRXCJHR-UHOFOFEASA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591568 642190295 /nfs/dbraw/zinc/19/02/95/642190295.db2.gz KHFSUZKYRXCJHR-UHOFOFEASA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591568 642190297 /nfs/dbraw/zinc/19/02/97/642190297.db2.gz KHFSUZKYRXCJHR-UHOFOFEASA-N 2 1 307.394 2.043 20 5 DEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984351 647558063 /nfs/dbraw/zinc/55/80/63/647558063.db2.gz FJVCOHQLIQNBPN-RHSMWYFYSA-N 2 1 321.421 2.338 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCCC[C@H]1C ZINC000876930851 689975439 /nfs/dbraw/zinc/97/54/39/689975439.db2.gz DXMJCSAICYRSRW-LMRVLLHPSA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCCC[C@H]1C ZINC000876930851 689975443 /nfs/dbraw/zinc/97/54/43/689975443.db2.gz DXMJCSAICYRSRW-LMRVLLHPSA-N 2 1 321.425 2.347 20 5 DEBDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169024560 785018813 /nfs/dbraw/zinc/01/88/13/785018813.db2.gz XBWBNSPWHVYECM-GJZGRUSLSA-N 2 1 318.421 2.374 20 5 DEBDMP [NH3+]CCc1c[nH+]cn1[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896868 793522246 /nfs/dbraw/zinc/52/22/46/793522246.db2.gz SWSNKSMPCJAOAJ-CQSZACIVSA-N 2 1 300.362 2.413 20 5 DEBDMP CCOc1cc(C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC001578166368 1067003327 /nfs/dbraw/zinc/00/33/27/1067003327.db2.gz WFFOKXDBBRGZAD-TZMCWYRMSA-N 2 1 307.394 2.410 20 5 DEBDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246118455 1140863166 /nfs/dbraw/zinc/86/31/66/1140863166.db2.gz QQBKXVVMAGJKBG-SRCQZFHVSA-N 2 1 303.406 2.430 20 5 DEBDMP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001254569187 1143252644 /nfs/dbraw/zinc/25/26/44/1143252644.db2.gz IXYUOKGIIBUYGS-FVQBIDKESA-N 2 1 303.406 2.409 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]C[C@@H]2CCCC[NH2+]2)n1 ZINC000591578063 357737699 /nfs/dbraw/zinc/73/76/99/357737699.db2.gz SNPVINRACIMXDI-BFHYXJOUSA-N 2 1 307.398 2.007 20 5 DEBDMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314265 358052530 /nfs/dbraw/zinc/05/25/30/358052530.db2.gz BLWYLHQEZTZTAC-ZMSDIMECSA-N 2 1 319.405 2.313 20 5 DEBDMP COc1cc([N+](=O)[O-])ccc1[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000595034118 358380933 /nfs/dbraw/zinc/38/09/33/358380933.db2.gz UXPLCJOKAMUXAP-NSHDSACASA-N 2 1 304.350 2.230 20 5 DEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000601103893 359921166 /nfs/dbraw/zinc/92/11/66/359921166.db2.gz LNDWUUVKSSYFIN-GFCCVEGCSA-N 2 1 312.373 2.461 20 5 DEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000601103893 359921169 /nfs/dbraw/zinc/92/11/69/359921169.db2.gz LNDWUUVKSSYFIN-GFCCVEGCSA-N 2 1 312.373 2.461 20 5 DEBDMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2cc([N+](=O)[O-])ccc2o1 ZINC000602519455 360414542 /nfs/dbraw/zinc/41/45/42/360414542.db2.gz YLZNHWVYZFXSDS-UHFFFAOYSA-N 2 1 315.333 2.421 20 5 DEBDMP CC[C@@H](NCCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151374336 402032453 /nfs/dbraw/zinc/03/24/53/402032453.db2.gz AUCMQQGOSPPLRR-QGZVFWFLSA-N 2 1 321.421 2.482 20 5 DEBDMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151374336 402032455 /nfs/dbraw/zinc/03/24/55/402032455.db2.gz AUCMQQGOSPPLRR-QGZVFWFLSA-N 2 1 321.421 2.482 20 5 DEBDMP CC[C@H](NCCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151374268 402032512 /nfs/dbraw/zinc/03/25/12/402032512.db2.gz AUCMQQGOSPPLRR-KRWDZBQOSA-N 2 1 321.421 2.482 20 5 DEBDMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151374268 402032513 /nfs/dbraw/zinc/03/25/13/402032513.db2.gz AUCMQQGOSPPLRR-KRWDZBQOSA-N 2 1 321.421 2.482 20 5 DEBDMP COc1ccc(OCC[N@@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352477856 404398999 /nfs/dbraw/zinc/39/89/99/404398999.db2.gz PLZXDBILFLQMEH-ZDUSSCGKSA-N 2 1 323.393 2.186 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCCC[C@H]2CC[NH3+])c([N+](=O)[O-])c1 ZINC000352477856 404399001 /nfs/dbraw/zinc/39/90/01/404399001.db2.gz PLZXDBILFLQMEH-ZDUSSCGKSA-N 2 1 323.393 2.186 20 5 DEBDMP C[N@@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](O)C[NH3+] ZINC000415069932 404800568 /nfs/dbraw/zinc/80/05/68/404800568.db2.gz PQBNDONJRGZWDQ-LLVKDONJSA-N 2 1 321.402 2.075 20 5 DEBDMP C[N@H+](Cc1ccc(-c2ccccc2[N+](=O)[O-])s1)C[C@H](O)C[NH3+] ZINC000415069932 404800569 /nfs/dbraw/zinc/80/05/69/404800569.db2.gz PQBNDONJRGZWDQ-LLVKDONJSA-N 2 1 321.402 2.075 20 5 DEBDMP CC[N@@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435631044 404999081 /nfs/dbraw/zinc/99/90/81/404999081.db2.gz ZNLNGNASHWTCAU-AWEZNQCLSA-N 2 1 307.394 2.438 20 5 DEBDMP C[C@H]1CC2(C[N@H+]1CCOc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424302448 405063086 /nfs/dbraw/zinc/06/30/86/405063086.db2.gz ZNXQTYRJIQYTAS-AWEZNQCLSA-N 2 1 319.405 2.438 20 5 DEBDMP C[C@H](CCc1ccccc1[N+](=O)[O-])[NH2+]CCc1c[nH+]cn1C ZINC000530407212 405795373 /nfs/dbraw/zinc/79/53/73/405795373.db2.gz BVYDSLKUTJJPFX-CYBMUJFWSA-N 2 1 302.378 2.482 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150832284 275039687 /nfs/dbraw/zinc/03/96/87/275039687.db2.gz QROFCLDQVALWHX-OAHLLOKOSA-N 2 1 319.405 2.391 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150832284 275039689 /nfs/dbraw/zinc/03/96/89/275039689.db2.gz QROFCLDQVALWHX-OAHLLOKOSA-N 2 1 319.405 2.391 20 5 DEBDMP CC(C)(C)[C@@]1(C[NH3+])CC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414717 637167954 /nfs/dbraw/zinc/16/79/54/637167954.db2.gz NIKWTBBROKPIAU-DOTOQJQBSA-N 2 1 321.421 2.325 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000765789562 640818930 /nfs/dbraw/zinc/81/89/30/640818930.db2.gz BAOGPMUHEMQCQR-BPUTZDHNSA-N 2 1 319.405 2.417 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590769 642189522 /nfs/dbraw/zinc/18/95/22/642189522.db2.gz KTRFVWPTVCHFFI-MRXNPFEDSA-N 2 1 318.377 2.155 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000776590769 642189524 /nfs/dbraw/zinc/18/95/24/642189524.db2.gz KTRFVWPTVCHFFI-MRXNPFEDSA-N 2 1 318.377 2.155 20 5 DEBDMP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142939 646978772 /nfs/dbraw/zinc/97/87/72/646978772.db2.gz ADHKNKUZVZDULA-DLBZAZTESA-N 2 1 319.405 2.046 20 5 DEBDMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142939 646978773 /nfs/dbraw/zinc/97/87/73/646978773.db2.gz ADHKNKUZVZDULA-DLBZAZTESA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142939 646978775 /nfs/dbraw/zinc/97/87/75/646978775.db2.gz ADHKNKUZVZDULA-DLBZAZTESA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142939 646978778 /nfs/dbraw/zinc/97/87/78/646978778.db2.gz ADHKNKUZVZDULA-DLBZAZTESA-N 2 1 319.405 2.046 20 5 DEBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818964948 647551549 /nfs/dbraw/zinc/55/15/49/647551549.db2.gz AOENZCSJBBFDFG-WBMJQRKESA-N 2 1 318.377 2.059 20 5 DEBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151862 647595603 /nfs/dbraw/zinc/59/56/03/647595603.db2.gz GRDBASGZAFHGIJ-PBHICJAKSA-N 2 1 321.421 2.196 20 5 DEBDMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876897479 689967472 /nfs/dbraw/zinc/96/74/72/689967472.db2.gz UEXCFANMDHEJLX-NFOMZHRRSA-N 2 1 321.425 2.349 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001332366285 1149853912 /nfs/dbraw/zinc/85/39/12/1149853912.db2.gz XLJJUKSPSXHZDP-MRXNPFEDSA-N 2 1 319.405 2.094 20 5 DEBDMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221524 793637533 /nfs/dbraw/zinc/63/75/33/793637533.db2.gz NRUQYEOMWHQLEY-AWEZNQCLSA-N 2 1 321.421 2.226 20 5 DEBDMP CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@@]1(C)CCC[NH2+]C1 ZINC001156976085 798121521 /nfs/dbraw/zinc/12/15/21/798121521.db2.gz ALQIJCQPEJCUTE-FSNWXROXSA-N 2 1 319.409 2.100 20 5 DEBDMP CCO[C@@H]1C[N@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC001578157415 1067000776 /nfs/dbraw/zinc/00/07/76/1067000776.db2.gz DCVQNWCBUAGAPC-CZUORRHYSA-N 2 1 307.394 2.007 20 5 DEBDMP CCO[C@@H]1C[N@@H+](Cc2c(C)ccc([N+](=O)[O-])c2C)C[C@H]1C[NH3+] ZINC001578157415 1067000784 /nfs/dbraw/zinc/00/07/84/1067000784.db2.gz DCVQNWCBUAGAPC-CZUORRHYSA-N 2 1 307.394 2.007 20 5 DEBDMP COc1ccc(C[C@H](C)[N@H+]2CCC[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539211 1140943863 /nfs/dbraw/zinc/94/38/63/1140943863.db2.gz FNAVYSMCBKIJEG-GXTWGEPZSA-N 2 1 307.394 2.348 20 5 DEBDMP C[C@H]1C[N@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C[NH3+] ZINC001246542408 1140946791 /nfs/dbraw/zinc/94/67/91/1140946791.db2.gz OWWJXBBRPZWYEU-MAZHCROVSA-N 2 1 303.406 2.369 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246642117 1141020917 /nfs/dbraw/zinc/02/09/17/1141020917.db2.gz ZGYWTJBGKJXPQI-DJIMGWMZSA-N 2 1 301.390 2.278 20 5 DEBDMP C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733992 358132485 /nfs/dbraw/zinc/13/24/85/358132485.db2.gz QOKJWHZYAUOPSI-BBRMVZONSA-N 2 1 307.394 2.423 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150832315 401998377 /nfs/dbraw/zinc/99/83/77/401998377.db2.gz QROFCLDQVALWHX-HNNXBMFYSA-N 2 1 319.405 2.391 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150832315 401998381 /nfs/dbraw/zinc/99/83/81/401998381.db2.gz QROFCLDQVALWHX-HNNXBMFYSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CCC[C@H]2CN(C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073721 401978674 /nfs/dbraw/zinc/97/86/74/401978674.db2.gz KYHRKISXQIUPCL-XIRDDKMYSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073721 401978676 /nfs/dbraw/zinc/97/86/76/401978676.db2.gz KYHRKISXQIUPCL-XIRDDKMYSA-N 2 1 319.405 2.044 20 5 DEBDMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073721 401978679 /nfs/dbraw/zinc/97/86/79/401978679.db2.gz KYHRKISXQIUPCL-XIRDDKMYSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073721 401978681 /nfs/dbraw/zinc/97/86/81/401978681.db2.gz KYHRKISXQIUPCL-XIRDDKMYSA-N 2 1 319.405 2.044 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000137073721 401978684 /nfs/dbraw/zinc/97/86/84/401978684.db2.gz KYHRKISXQIUPCL-XIRDDKMYSA-N 2 1 319.405 2.044 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000566414394 292236752 /nfs/dbraw/zinc/23/67/52/292236752.db2.gz ZPMBPJDPRHWLPP-STQMWFEESA-N 2 1 320.393 2.043 20 5 DEBDMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672274 403156307 /nfs/dbraw/zinc/15/63/07/403156307.db2.gz VCKPCFCLERYHEI-RHSMWYFYSA-N 2 1 321.421 2.292 20 5 DEBDMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285382240 403284939 /nfs/dbraw/zinc/28/49/39/403284939.db2.gz WLHHOUDRJZQNIB-LLVKDONJSA-N 2 1 303.366 2.423 20 5 DEBDMP C[N@@H+]1CCC[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024169 403325346 /nfs/dbraw/zinc/32/53/46/403325346.db2.gz XBBOWMBNEFTXDR-SWLSCSKDSA-N 2 1 305.378 2.217 20 5 DEBDMP C[N@H+]1CCC[C@H]2CN(Cc3cc(O)ccc3[N+](=O)[O-])CC[C@H]21 ZINC000339024169 403325351 /nfs/dbraw/zinc/32/53/51/403325351.db2.gz XBBOWMBNEFTXDR-SWLSCSKDSA-N 2 1 305.378 2.217 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000319961584 404061798 /nfs/dbraw/zinc/06/17/98/404061798.db2.gz CRPNCFVDVMUKQG-BETUJISGSA-N 2 1 305.378 2.035 20 5 DEBDMP COC[C@@]1(C[NH2+][C@@H](C)CCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952881 404774673 /nfs/dbraw/zinc/77/46/73/404774673.db2.gz ITQGRMKZHDNHNV-YOEHRIQHSA-N 2 1 321.421 2.274 20 5 DEBDMP [NH3+]C[C@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420360494 405331454 /nfs/dbraw/zinc/33/14/54/405331454.db2.gz HFIQCCCVGBXBAD-AWEZNQCLSA-N 2 1 307.394 2.471 20 5 DEBDMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442920373 533804661 /nfs/dbraw/zinc/80/46/61/533804661.db2.gz KZYLIYKCHUMJTH-LBPRGKRZSA-N 2 1 323.393 2.173 20 5 DEBDMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000923386684 637155246 /nfs/dbraw/zinc/15/52/46/637155246.db2.gz AGWRHIHKIPPMHB-KBRIMQKVSA-N 2 1 321.421 2.468 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000765845580 640823900 /nfs/dbraw/zinc/82/39/00/640823900.db2.gz QUMQPLVXLDBAFZ-KRWDZBQOSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1ccccc1/C=C/C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954289 643529139 /nfs/dbraw/zinc/52/91/39/643529139.db2.gz CMIQGNCVLPQGCC-LQPUYASZSA-N 2 1 311.332 2.442 20 5 DEBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818966247 647551886 /nfs/dbraw/zinc/55/18/86/647551886.db2.gz PJZCEGPRWPXMKS-MLGOLLRUSA-N 2 1 318.377 2.059 20 5 DEBDMP C[C@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000925848602 693352649 /nfs/dbraw/zinc/35/26/49/693352649.db2.gz IYYHZNSPJNXCRU-HNNXBMFYSA-N 2 1 320.437 2.321 20 5 DEBDMP C[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899711 793522801 /nfs/dbraw/zinc/52/28/01/793522801.db2.gz OWTVANSDTUSZQI-CJNGLKHVSA-N 2 1 303.406 2.384 20 5 DEBDMP C[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899708 793522981 /nfs/dbraw/zinc/52/29/81/793522981.db2.gz OWTVANSDTUSZQI-BBRMVZONSA-N 2 1 303.406 2.384 20 5 DEBDMP C[C@@H]1C[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@H]1C[NH3+] ZINC001246566800 1140971191 /nfs/dbraw/zinc/97/11/91/1140971191.db2.gz JRJJTZVAPOVNAY-IFIJOSMWSA-N 2 1 303.406 2.369 20 5 DEBDMP CC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886007 198265266 /nfs/dbraw/zinc/26/52/66/198265266.db2.gz UAPYDGUVCHMHEQ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886007 198265267 /nfs/dbraw/zinc/26/52/67/198265267.db2.gz UAPYDGUVCHMHEQ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886007 198265269 /nfs/dbraw/zinc/26/52/69/198265269.db2.gz UAPYDGUVCHMHEQ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000173886007 198265271 /nfs/dbraw/zinc/26/52/71/198265271.db2.gz UAPYDGUVCHMHEQ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000591278447 357699462 /nfs/dbraw/zinc/69/94/62/357699462.db2.gz BYPVKLFNOSKZHL-NSHDSACASA-N 2 1 315.320 2.428 20 5 DEBDMP C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593730829 358132219 /nfs/dbraw/zinc/13/22/19/358132219.db2.gz HZWHYUBPRODLLZ-CJNGLKHVSA-N 2 1 307.394 2.423 20 5 DEBDMP C[C@H]1C[N@@H+](CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000602633704 360468771 /nfs/dbraw/zinc/46/87/71/360468771.db2.gz NYVLLVDBXYICCU-HNNXBMFYSA-N 2 1 321.421 2.228 20 5 DEBDMP CCC[NH+]1CCC([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154402645 402210596 /nfs/dbraw/zinc/21/05/96/402210596.db2.gz KXLCFWSUOKFYEI-QGZVFWFLSA-N 2 1 321.421 2.434 20 5 DEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000154402645 402210598 /nfs/dbraw/zinc/21/05/98/402210598.db2.gz KXLCFWSUOKFYEI-QGZVFWFLSA-N 2 1 321.421 2.434 20 5 DEBDMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293988224 403616853 /nfs/dbraw/zinc/61/68/53/403616853.db2.gz BUSRSSZPLLQISG-NEPJUHHUSA-N 2 1 315.377 2.287 20 5 DEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000344790323 404368966 /nfs/dbraw/zinc/36/89/66/404368966.db2.gz IKWPBWBYYPXOOK-CRPZLVSXSA-N 2 1 319.405 2.044 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351497516 404609516 /nfs/dbraw/zinc/60/95/16/404609516.db2.gz UAMAMZCBXUCIIN-CQDKDKBSSA-N 2 1 305.378 2.163 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351497516 404609528 /nfs/dbraw/zinc/60/95/28/404609528.db2.gz UAMAMZCBXUCIIN-CQDKDKBSSA-N 2 1 305.378 2.163 20 5 DEBDMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420324106 405319604 /nfs/dbraw/zinc/31/96/04/405319604.db2.gz ZACMYVZRYDBIHV-CYBMUJFWSA-N 2 1 320.393 2.127 20 5 DEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331488 405322083 /nfs/dbraw/zinc/32/20/83/405322083.db2.gz QVUGKRUESJEDBP-ZIAGYGMSSA-N 2 1 319.405 2.343 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420357340 405330787 /nfs/dbraw/zinc/33/07/87/405330787.db2.gz HJWUXJZBEGJQQI-AWEZNQCLSA-N 2 1 322.409 2.195 20 5 DEBDMP C[C@H]1CC2(C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383015 637149582 /nfs/dbraw/zinc/14/95/82/637149582.db2.gz GMXDFHRBJXDOCH-BBRMVZONSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923425914 637172042 /nfs/dbraw/zinc/17/20/42/637172042.db2.gz AAIOPNLWSBMHSE-DLBZAZTESA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000923425914 637172044 /nfs/dbraw/zinc/17/20/44/637172044.db2.gz AAIOPNLWSBMHSE-DLBZAZTESA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000819279334 647625693 /nfs/dbraw/zinc/62/56/93/647625693.db2.gz ZFYGQRXZGKXWFW-BDVYOWHSSA-N 2 1 319.405 2.235 20 5 DEBDMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878867552 690517173 /nfs/dbraw/zinc/51/71/73/690517173.db2.gz USJSEWNBQWIAAR-INIZCTEOSA-N 2 1 319.405 2.046 20 5 DEBDMP COc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000925602131 693307210 /nfs/dbraw/zinc/30/72/10/693307210.db2.gz RJSCZIIWGBZPSD-KCXAZCMYSA-N 2 1 319.405 2.470 20 5 DEBDMP Cc1cccc(N([C@@H]2CC[C@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]1 ZINC001169057988 785025113 /nfs/dbraw/zinc/02/51/13/785025113.db2.gz ZXSUKDRVJVODLS-GOEBONIOSA-N 2 1 318.421 2.394 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001118198337 795164402 /nfs/dbraw/zinc/16/44/02/795164402.db2.gz LCWDRRKRRFEBOB-UHFFFAOYSA-N 2 1 319.405 2.439 20 5 DEBDMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cccc([N+](=O)[O-])c1 ZINC001560426344 1075139983 /nfs/dbraw/zinc/13/99/83/1075139983.db2.gz CQLGCVNUAOMOHO-UHFFFAOYSA-N 2 1 300.362 2.388 20 5 DEBDMP C[C@@H]1CC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1[NH3+] ZINC001246563244 1140968510 /nfs/dbraw/zinc/96/85/10/1140968510.db2.gz BJLGNFPRTIKFFN-DYVFJYSZSA-N 2 1 318.421 2.233 20 5 DEBDMP C[C@@H]1CC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@@H]1[NH3+] ZINC001246563244 1140968522 /nfs/dbraw/zinc/96/85/22/1140968522.db2.gz BJLGNFPRTIKFFN-DYVFJYSZSA-N 2 1 318.421 2.233 20 5 DEBDMP CC(C)c1ccc(C[N@@H+](C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592428479 357875218 /nfs/dbraw/zinc/87/52/18/357875218.db2.gz QMKDOALPALPESS-UHFFFAOYSA-N 2 1 320.437 2.055 20 5 DEBDMP C[C@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730824 358132237 /nfs/dbraw/zinc/13/22/37/358132237.db2.gz HQRRIIQLWVIPPB-UONOGXRCSA-N 2 1 307.394 2.423 20 5 DEBDMP C[C@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733995 358132956 /nfs/dbraw/zinc/13/29/56/358132956.db2.gz QOKJWHZYAUOPSI-XJKSGUPXSA-N 2 1 307.394 2.423 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000449154577 240135826 /nfs/dbraw/zinc/13/58/26/240135826.db2.gz NPUOCVOGAOGKJU-CQSZACIVSA-N 2 1 321.421 2.226 20 5 DEBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000152386422 402094229 /nfs/dbraw/zinc/09/42/29/402094229.db2.gz XLTLOPDCFUUACJ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[NH+](C)C1 ZINC000152386422 402094231 /nfs/dbraw/zinc/09/42/31/402094231.db2.gz XLTLOPDCFUUACJ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@H+](C)C1 ZINC000152386422 402094235 /nfs/dbraw/zinc/09/42/35/402094235.db2.gz XLTLOPDCFUUACJ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@H]1CCC[N@@H+](C)C1 ZINC000152386422 402094239 /nfs/dbraw/zinc/09/42/39/402094239.db2.gz XLTLOPDCFUUACJ-AWEZNQCLSA-N 2 1 307.394 2.247 20 5 DEBDMP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000152386530 402094267 /nfs/dbraw/zinc/09/42/67/402094267.db2.gz XLTLOPDCFUUACJ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[N@@H+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[NH+](C)C1 ZINC000152386530 402094269 /nfs/dbraw/zinc/09/42/69/402094269.db2.gz XLTLOPDCFUUACJ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@H+](C)C1 ZINC000152386530 402094271 /nfs/dbraw/zinc/09/42/71/402094271.db2.gz XLTLOPDCFUUACJ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[NH+](CCOc1ccccc1[N+](=O)[O-])C[C@@H]1CCC[N@@H+](C)C1 ZINC000152386530 402094274 /nfs/dbraw/zinc/09/42/74/402094274.db2.gz XLTLOPDCFUUACJ-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342094233 404362393 /nfs/dbraw/zinc/36/23/93/404362393.db2.gz FCPFXOJZLLDNOA-APHBMKBZSA-N 2 1 305.378 2.033 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423480066 405819818 /nfs/dbraw/zinc/81/98/18/405819818.db2.gz ORZSUJZQXAUVIJ-YPMHNXCESA-N 2 1 313.348 2.360 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968059 640145526 /nfs/dbraw/zinc/14/55/26/640145526.db2.gz UWXRSOGBEUFPFK-ZBFHGGJFSA-N 2 1 307.394 2.044 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968059 640145529 /nfs/dbraw/zinc/14/55/29/640145529.db2.gz UWXRSOGBEUFPFK-ZBFHGGJFSA-N 2 1 307.394 2.044 20 5 DEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000843361232 650956985 /nfs/dbraw/zinc/95/69/85/650956985.db2.gz VGWYBCRYUYCFRO-AGUYFDCRSA-N 2 1 305.378 2.318 20 5 DEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccccc1[N+](=O)[O-] ZINC000843361232 650956988 /nfs/dbraw/zinc/95/69/88/650956988.db2.gz VGWYBCRYUYCFRO-AGUYFDCRSA-N 2 1 305.378 2.318 20 5 DEBDMP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000819278292 647624637 /nfs/dbraw/zinc/62/46/37/647624637.db2.gz NLMCSZXCQRHNJI-PREGVCBESA-N 2 1 319.405 2.235 20 5 DEBDMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863543450 686518185 /nfs/dbraw/zinc/51/81/85/686518185.db2.gz PDCWMWBLRGWOSN-DLBZAZTESA-N 2 1 318.421 2.294 20 5 DEBDMP Cc1c(CNCCC[N@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114789 689160131 /nfs/dbraw/zinc/16/01/31/689160131.db2.gz VEEXHVDHIRTUKC-CQSZACIVSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1c(C[NH2+]CCCN2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114789 689160132 /nfs/dbraw/zinc/16/01/32/689160132.db2.gz VEEXHVDHIRTUKC-CQSZACIVSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114789 689160134 /nfs/dbraw/zinc/16/01/34/689160134.db2.gz VEEXHVDHIRTUKC-CQSZACIVSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cccc1[N+](=O)[O-] ZINC000873114789 689160135 /nfs/dbraw/zinc/16/01/35/689160135.db2.gz VEEXHVDHIRTUKC-CQSZACIVSA-N 2 1 321.421 2.494 20 5 DEBDMP COCCC1([NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000873224972 689188145 /nfs/dbraw/zinc/18/81/45/689188145.db2.gz OZSLUJPZMDXOLV-UHFFFAOYSA-N 2 1 307.394 2.152 20 5 DEBDMP COc1ccc(C[C@H](C)n2c[nH+]cc2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170294522 786891499 /nfs/dbraw/zinc/89/14/99/786891499.db2.gz AQGKYCRPVZSDEO-NSHDSACASA-N 2 1 304.350 2.105 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[NH2+]CC13CC3)CC2 ZINC001246132349 1140864382 /nfs/dbraw/zinc/86/43/82/1140864382.db2.gz LXBJVHDQKWXFND-GDBMZVCRSA-N 2 1 301.390 2.184 20 5 DEBDMP CC[NH+]1CCC([N@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600459 1143275232 /nfs/dbraw/zinc/27/52/32/1143275232.db2.gz PWWGQVSZNXAGRM-QGZVFWFLSA-N 2 1 303.406 2.478 20 5 DEBDMP CC[NH+]1CCC([N@@H+](C)[C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254600459 1143275246 /nfs/dbraw/zinc/27/52/46/1143275246.db2.gz PWWGQVSZNXAGRM-QGZVFWFLSA-N 2 1 303.406 2.478 20 5 DEBDMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000598993435 359378357 /nfs/dbraw/zinc/37/83/57/359378357.db2.gz BQBPNJUOKOOOGN-CQSZACIVSA-N 2 1 307.394 2.425 20 5 DEBDMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1[N+](=O)[O-] ZINC000598993435 359378359 /nfs/dbraw/zinc/37/83/59/359378359.db2.gz BQBPNJUOKOOOGN-CQSZACIVSA-N 2 1 307.394 2.425 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358520536 147149256 /nfs/dbraw/zinc/14/92/56/147149256.db2.gz VVCQNLFPYHDUQY-UHFFFAOYSA-N 2 1 305.378 2.049 20 5 DEBDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000128561368 401783139 /nfs/dbraw/zinc/78/31/39/401783139.db2.gz AFBYPBKQJZMUOR-HNNXBMFYSA-N 2 1 320.437 2.273 20 5 DEBDMP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000344790326 404369204 /nfs/dbraw/zinc/36/92/04/404369204.db2.gz IKWPBWBYYPXOOK-DZXKJOIRSA-N 2 1 319.405 2.044 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781566 404733022 /nfs/dbraw/zinc/73/30/22/404733022.db2.gz NFFCWUQOIIGTSB-HNNXBMFYSA-N 2 1 319.405 2.091 20 5 DEBDMP COC[C@@]1(C[NH2+][C@H](C)CCc2ccccc2[N+](=O)[O-])CCC[NH2+]1 ZINC000414952873 404774648 /nfs/dbraw/zinc/77/46/48/404774648.db2.gz ITQGRMKZHDNHNV-PBHICJAKSA-N 2 1 321.421 2.274 20 5 DEBDMP O=[N+]([O-])c1ccc(CC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321584 405318340 /nfs/dbraw/zinc/31/83/40/405318340.db2.gz CXTFXKZKVNQPPJ-HOTGVXAUSA-N 2 1 303.406 2.459 20 5 DEBDMP COc1ccc(OCC[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559428 405457473 /nfs/dbraw/zinc/45/74/73/405457473.db2.gz SWXFGXHRSGLELH-STQMWFEESA-N 2 1 323.393 2.041 20 5 DEBDMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c([N+](=O)[O-])c1 ZINC000430559428 405457475 /nfs/dbraw/zinc/45/74/75/405457475.db2.gz SWXFGXHRSGLELH-STQMWFEESA-N 2 1 323.393 2.041 20 5 DEBDMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572506 277023573 /nfs/dbraw/zinc/02/35/73/277023573.db2.gz CHKFWIZNOLHTGA-GJZGRUSLSA-N 2 1 319.409 2.127 20 5 DEBDMP CCC[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923328889 637112254 /nfs/dbraw/zinc/11/22/54/637112254.db2.gz XYNWDCGIXRCBRC-INIZCTEOSA-N 2 1 307.394 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc(N2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)c1 ZINC000903736489 643448357 /nfs/dbraw/zinc/44/83/57/643448357.db2.gz JTPLQKXXTAUQOZ-OAHLLOKOSA-N 2 1 318.421 2.107 20 5 DEBDMP O=[N+]([O-])c1ccccc1/C=C\C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903954287 643528876 /nfs/dbraw/zinc/52/88/76/643528876.db2.gz CMIQGNCVLPQGCC-DXTPNHAXSA-N 2 1 311.332 2.442 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905712084 644010325 /nfs/dbraw/zinc/01/03/25/644010325.db2.gz FATBBRUGHRLYRZ-IXDOHACOSA-N 2 1 303.406 2.153 20 5 DEBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818964946 647551402 /nfs/dbraw/zinc/55/14/02/647551402.db2.gz AOENZCSJBBFDFG-MLGOLLRUSA-N 2 1 318.377 2.059 20 5 DEBDMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000818966248 647552062 /nfs/dbraw/zinc/55/20/62/647552062.db2.gz PJZCEGPRWPXMKS-WBMJQRKESA-N 2 1 318.377 2.059 20 5 DEBDMP COCC[NH+]1CCC([NH2+]Cc2c(C)ccc([N+](=O)[O-])c2C)CC1 ZINC000873023452 689143801 /nfs/dbraw/zinc/14/38/01/689143801.db2.gz LYSOHNATONCQNE-UHFFFAOYSA-N 2 1 321.421 2.412 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886869642 692215958 /nfs/dbraw/zinc/21/59/58/692215958.db2.gz DYUVJMGKZVOOKO-KRWDZBQOSA-N 2 1 319.405 2.439 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCc2[nH+]ccn2CC1 ZINC001173232439 793644686 /nfs/dbraw/zinc/64/46/86/793644686.db2.gz GINBANSUJFURQG-CYBMUJFWSA-N 2 1 300.362 2.281 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001173232439 793644691 /nfs/dbraw/zinc/64/46/91/793644691.db2.gz GINBANSUJFURQG-CYBMUJFWSA-N 2 1 300.362 2.281 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000277112366 213300721 /nfs/dbraw/zinc/30/07/21/213300721.db2.gz HHQNSLXVZWXZMW-CQSZACIVSA-N 2 1 307.394 2.390 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000277112366 213300724 /nfs/dbraw/zinc/30/07/24/213300724.db2.gz HHQNSLXVZWXZMW-CQSZACIVSA-N 2 1 307.394 2.390 20 5 DEBDMP O=[N+]([O-])c1cccc2c1CC[C@@H]2NCCC[NH+]1CCC(O)CC1 ZINC000579128506 356927439 /nfs/dbraw/zinc/92/74/39/356927439.db2.gz DCGBYWZPXNUOAI-INIZCTEOSA-N 2 1 319.405 2.019 20 5 DEBDMP C[N@@H+]1CCC[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601115580 359926347 /nfs/dbraw/zinc/92/63/47/359926347.db2.gz JCHQNZZSIBKSFI-GFCCVEGCSA-N 2 1 300.362 2.319 20 5 DEBDMP C[N@H+]1CCC[C@H](CNc2cc[nH+]c3ccc([N+](=O)[O-])cc23)C1 ZINC000601115580 359926350 /nfs/dbraw/zinc/92/63/50/359926350.db2.gz JCHQNZZSIBKSFI-GFCCVEGCSA-N 2 1 300.362 2.319 20 5 DEBDMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277670776 403243523 /nfs/dbraw/zinc/24/35/23/403243523.db2.gz GDUFPVQHENXSHL-CQSZACIVSA-N 2 1 307.394 2.185 20 5 DEBDMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000277670776 403243525 /nfs/dbraw/zinc/24/35/25/403243525.db2.gz GDUFPVQHENXSHL-CQSZACIVSA-N 2 1 307.394 2.185 20 5 DEBDMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000293864325 403585185 /nfs/dbraw/zinc/58/51/85/403585185.db2.gz UQVYBNZSNDFLPO-LLVKDONJSA-N 2 1 304.394 2.454 20 5 DEBDMP [NH3+]CCCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2F)CC1 ZINC000336868598 403941862 /nfs/dbraw/zinc/94/18/62/403941862.db2.gz XTKYSQLVRHTKKQ-UHFFFAOYSA-N 2 1 311.357 2.064 20 5 DEBDMP C[C@@H]1CC2(C[N@H+]1CCOc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424287655 405058190 /nfs/dbraw/zinc/05/81/90/405058190.db2.gz JKPCKHCNNRHMIA-CQSZACIVSA-N 2 1 319.405 2.438 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420327959 405320917 /nfs/dbraw/zinc/32/09/17/405320917.db2.gz LXANWISLOFMZIW-UHFFFAOYSA-N 2 1 320.393 2.045 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420327959 405320918 /nfs/dbraw/zinc/32/09/18/405320918.db2.gz LXANWISLOFMZIW-UHFFFAOYSA-N 2 1 320.393 2.045 20 5 DEBDMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940164 406458583 /nfs/dbraw/zinc/45/85/83/406458583.db2.gz QHQOATCMWYMZSR-DOTOQJQBSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940164 406458590 /nfs/dbraw/zinc/45/85/90/406458590.db2.gz QHQOATCMWYMZSR-DOTOQJQBSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940164 406458596 /nfs/dbraw/zinc/45/85/96/406458596.db2.gz QHQOATCMWYMZSR-DOTOQJQBSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc([N+](=O)[O-])cc2)C1 ZINC000570940164 406458600 /nfs/dbraw/zinc/45/86/00/406458600.db2.gz QHQOATCMWYMZSR-DOTOQJQBSA-N 2 1 321.421 2.087 20 5 DEBDMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192114 269125748 /nfs/dbraw/zinc/12/57/48/269125748.db2.gz ACAFUXBZNFTJLH-ZDUSSCGKSA-N 2 1 307.394 2.377 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923365542 637138087 /nfs/dbraw/zinc/13/80/87/637138087.db2.gz WVVCDARIDWDUEW-BHYGNILZSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923365542 637138090 /nfs/dbraw/zinc/13/80/90/637138090.db2.gz WVVCDARIDWDUEW-BHYGNILZSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc2c1CC[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903896983 643500431 /nfs/dbraw/zinc/50/04/31/643500431.db2.gz WTHMHTWMWAPETA-LQDVMPOASA-N 2 1 301.390 2.484 20 5 DEBDMP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000843360931 650957044 /nfs/dbraw/zinc/95/70/44/650957044.db2.gz MIIQJDGXOGVJOS-LQDVMPOASA-N 2 1 305.378 2.318 20 5 DEBDMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907128 647378926 /nfs/dbraw/zinc/37/89/26/647378926.db2.gz KJUSNKGKDSYISD-MRCXROJRSA-N 2 1 313.785 2.090 20 5 DEBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151408 647595040 /nfs/dbraw/zinc/59/50/40/647595040.db2.gz BLBRGCVXDYAPIH-RHSMWYFYSA-N 2 1 321.421 2.196 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000819356637 647641751 /nfs/dbraw/zinc/64/17/51/647641751.db2.gz ZKDJAJXCEAALAZ-QGZVFWFLSA-N 2 1 319.405 2.235 20 5 DEBDMP COCC[N@H+](Cc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000877665594 690183433 /nfs/dbraw/zinc/18/34/33/690183433.db2.gz YWVPHPCCKIFJOP-UHFFFAOYSA-N 2 1 321.421 2.385 20 5 DEBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569797 690675376 /nfs/dbraw/zinc/67/53/76/690675376.db2.gz BQMACLZMKRSQET-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569797 690675379 /nfs/dbraw/zinc/67/53/79/690675379.db2.gz BQMACLZMKRSQET-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569797 690675385 /nfs/dbraw/zinc/67/53/85/690675385.db2.gz BQMACLZMKRSQET-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000879569797 690675389 /nfs/dbraw/zinc/67/53/89/690675389.db2.gz BQMACLZMKRSQET-PBHICJAKSA-N 2 1 319.405 2.390 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298095 786894260 /nfs/dbraw/zinc/89/42/60/786894260.db2.gz ZXQRJYGXSYORAZ-OLZOCXBDSA-N 2 1 307.394 2.076 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@H]12 ZINC001461832106 1058721950 /nfs/dbraw/zinc/72/19/50/1058721950.db2.gz SAFQDRKDAURVDE-UHOFOFEASA-N 2 1 319.405 2.423 20 5 DEBDMP CC[NH+]1CCC(C[NH+]2CC(Oc3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC001560876662 1075147884 /nfs/dbraw/zinc/14/78/84/1075147884.db2.gz USRYMMMPXPQTRT-UHFFFAOYSA-N 2 1 319.405 2.390 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179499762 199046690 /nfs/dbraw/zinc/04/66/90/199046690.db2.gz PDUVAELMCDYUHI-INIZCTEOSA-N 2 1 318.377 2.155 20 5 DEBDMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000179499762 199046692 /nfs/dbraw/zinc/04/66/92/199046692.db2.gz PDUVAELMCDYUHI-INIZCTEOSA-N 2 1 318.377 2.155 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539069232 285068536 /nfs/dbraw/zinc/06/85/36/285068536.db2.gz SLUMTNICRHSBHN-BBRMVZONSA-N 2 1 307.394 2.294 20 5 DEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656599 197291376 /nfs/dbraw/zinc/29/13/76/197291376.db2.gz NAJLAQSNVKWMPF-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656599 197291378 /nfs/dbraw/zinc/29/13/78/197291378.db2.gz NAJLAQSNVKWMPF-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656599 197291380 /nfs/dbraw/zinc/29/13/80/197291380.db2.gz NAJLAQSNVKWMPF-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000337822177 404263170 /nfs/dbraw/zinc/26/31/70/404263170.db2.gz UZIJKBXRHWYFKJ-UONOGXRCSA-N 2 1 305.378 2.320 20 5 DEBDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1[N+](=O)[O-] ZINC000337822177 404263172 /nfs/dbraw/zinc/26/31/72/404263172.db2.gz UZIJKBXRHWYFKJ-UONOGXRCSA-N 2 1 305.378 2.320 20 5 DEBDMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779554 404732365 /nfs/dbraw/zinc/73/23/65/404732365.db2.gz KKNJHBDTIASNQY-GJZGRUSLSA-N 2 1 319.405 2.425 20 5 DEBDMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000569340576 292406957 /nfs/dbraw/zinc/40/69/57/292406957.db2.gz QYLMTDALXXWXIM-IUCAKERBSA-N 2 1 303.309 2.412 20 5 DEBDMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000569340575 292407058 /nfs/dbraw/zinc/40/70/58/292407058.db2.gz QYLMTDALXXWXIM-DTWKUNHWSA-N 2 1 303.309 2.412 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397398237 269105879 /nfs/dbraw/zinc/10/58/79/269105879.db2.gz QAJDADPNZYXWSQ-BZPMIXESSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397398237 269105880 /nfs/dbraw/zinc/10/58/80/269105880.db2.gz QAJDADPNZYXWSQ-BZPMIXESSA-N 2 1 307.394 2.409 20 5 DEBDMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc([N+](=O)[O-])cc2OC)C1 ZINC000430192113 269126181 /nfs/dbraw/zinc/12/61/81/269126181.db2.gz ACAFUXBZNFTJLH-CYBMUJFWSA-N 2 1 307.394 2.377 20 5 DEBDMP Cc1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423077006 280227451 /nfs/dbraw/zinc/22/74/51/280227451.db2.gz KZSCBEASEPLNTC-BZUAXINKSA-N 2 1 319.405 2.150 20 5 DEBDMP COc1c(O)ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1[N+](=O)[O-] ZINC000894860387 637269641 /nfs/dbraw/zinc/26/96/41/637269641.db2.gz BWRRRIIXYLAQGK-LBPRGKRZSA-N 2 1 323.393 2.131 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277569 642152772 /nfs/dbraw/zinc/15/27/72/642152772.db2.gz OCZAULQMLLJGQO-JQFCIGGWSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277569 642152776 /nfs/dbraw/zinc/15/27/76/642152776.db2.gz OCZAULQMLLJGQO-JQFCIGGWSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277569 642152777 /nfs/dbraw/zinc/15/27/77/642152777.db2.gz OCZAULQMLLJGQO-JQFCIGGWSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)C[C@@H]1C ZINC000776277569 642152780 /nfs/dbraw/zinc/15/27/80/642152780.db2.gz OCZAULQMLLJGQO-JQFCIGGWSA-N 2 1 321.421 2.433 20 5 DEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581145 642187341 /nfs/dbraw/zinc/18/73/41/642187341.db2.gz FGIZYWAHUCDSMO-KRWDZBQOSA-N 2 1 321.421 2.433 20 5 DEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776581145 642187344 /nfs/dbraw/zinc/18/73/44/642187344.db2.gz FGIZYWAHUCDSMO-KRWDZBQOSA-N 2 1 321.421 2.433 20 5 DEBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000905382062 643883097 /nfs/dbraw/zinc/88/30/97/643883097.db2.gz PVCZZRYHXFMQBJ-MRXNPFEDSA-N 2 1 303.406 2.155 20 5 DEBDMP O=[N+]([O-])CC[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000905382062 643883098 /nfs/dbraw/zinc/88/30/98/643883098.db2.gz PVCZZRYHXFMQBJ-MRXNPFEDSA-N 2 1 303.406 2.155 20 5 DEBDMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560259 647031183 /nfs/dbraw/zinc/03/11/83/647031183.db2.gz BZHKQNNYYSVZJN-YUTCNCBUSA-N 2 1 304.394 2.454 20 5 DEBDMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560259 647031186 /nfs/dbraw/zinc/03/11/86/647031186.db2.gz BZHKQNNYYSVZJN-YUTCNCBUSA-N 2 1 304.394 2.454 20 5 DEBDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000819101672 647584095 /nfs/dbraw/zinc/58/40/95/647584095.db2.gz XIPKHHDOOKIOSR-MRXNPFEDSA-N 2 1 318.377 2.203 20 5 DEBDMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151863 647595495 /nfs/dbraw/zinc/59/54/95/647595495.db2.gz GRDBASGZAFHGIJ-RHSMWYFYSA-N 2 1 321.421 2.196 20 5 DEBDMP COCC[N@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000877665276 690183429 /nfs/dbraw/zinc/18/34/29/690183429.db2.gz OPXSPRZQEYRECP-UHFFFAOYSA-N 2 1 321.421 2.385 20 5 DEBDMP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569798 690675043 /nfs/dbraw/zinc/67/50/43/690675043.db2.gz BQMACLZMKRSQET-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[N@H+]1CC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569798 690675044 /nfs/dbraw/zinc/67/50/44/690675044.db2.gz BQMACLZMKRSQET-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569798 690675045 /nfs/dbraw/zinc/67/50/45/690675045.db2.gz BQMACLZMKRSQET-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CC[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000879569798 690675046 /nfs/dbraw/zinc/67/50/46/690675046.db2.gz BQMACLZMKRSQET-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838271 692207067 /nfs/dbraw/zinc/20/70/67/692207067.db2.gz URCUXYYNYNRZAV-KGLIPLIRSA-N 2 1 304.394 2.201 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001332366283 1149853749 /nfs/dbraw/zinc/85/37/49/1149853749.db2.gz XLJJUKSPSXHZDP-INIZCTEOSA-N 2 1 319.405 2.094 20 5 DEBDMP Cc1ccc[nH+]c1N([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053575 785022805 /nfs/dbraw/zinc/02/28/05/785022805.db2.gz IYYUQLBCRFAGRT-HOCLYGCPSA-N 2 1 318.421 2.394 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173223532 793640354 /nfs/dbraw/zinc/64/03/54/793640354.db2.gz GJBHIZGQJRISKC-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001173223532 793640359 /nfs/dbraw/zinc/64/03/59/793640359.db2.gz GJBHIZGQJRISKC-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001173223532 793640365 /nfs/dbraw/zinc/64/03/65/793640365.db2.gz GJBHIZGQJRISKC-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP O=[N+]([O-])c1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC001656891109 1080135250 /nfs/dbraw/zinc/13/52/50/1080135250.db2.gz JQXAFIUBDLYEDO-IAGOWNOFSA-N 2 1 319.405 2.062 20 5 DEBDMP [NH3+][C@@H]1CCC[N@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246540563 1140945234 /nfs/dbraw/zinc/94/52/34/1140945234.db2.gz GYQSKTYIUJTTPF-CQSZACIVSA-N 2 1 318.421 2.377 20 5 DEBDMP CC(C)[N@@H+](C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001262561770 1144319226 /nfs/dbraw/zinc/31/92/26/1144319226.db2.gz GWAPDCFJQWEDRO-UHFFFAOYSA-N 2 1 322.409 2.243 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000278341452 214100208 /nfs/dbraw/zinc/10/02/08/214100208.db2.gz XRAYJUWZPBSZPQ-DOTOQJQBSA-N 2 1 319.405 2.019 20 5 DEBDMP CN1CCC([N@@H+]2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411950 361594846 /nfs/dbraw/zinc/59/48/46/361594846.db2.gz JDSXHWCSGJXDPG-NSHDSACASA-N 2 1 310.423 2.237 20 5 DEBDMP CN1CCC([N@H+]2CC[C@H](Nc3sccc3[N+](=O)[O-])C2)CC1 ZINC000611411950 361594852 /nfs/dbraw/zinc/59/48/52/361594852.db2.gz JDSXHWCSGJXDPG-NSHDSACASA-N 2 1 310.423 2.237 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338413 405325069 /nfs/dbraw/zinc/32/50/69/405325069.db2.gz XYFFOPRECPGUEO-CABCVRRESA-N 2 1 319.405 2.295 20 5 DEBDMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274483 405305336 /nfs/dbraw/zinc/30/53/36/405305336.db2.gz ORUZTABSKAAJKU-SWLSCSKDSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274483 405305337 /nfs/dbraw/zinc/30/53/37/405305337.db2.gz ORUZTABSKAAJKU-SWLSCSKDSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000923389268 637156281 /nfs/dbraw/zinc/15/62/81/637156281.db2.gz USLVYSWEYORPLG-UHOFOFEASA-N 2 1 307.394 2.078 20 5 DEBDMP C[N@@H+](CC1CC[NH+](C)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000103462132 637884536 /nfs/dbraw/zinc/88/45/36/637884536.db2.gz MBNCHQCMADYDKQ-UHFFFAOYSA-N 2 1 317.393 2.176 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207809 643831543 /nfs/dbraw/zinc/83/15/43/643831543.db2.gz IUQCTCJNUVJLME-YESZJQIVSA-N 2 1 303.406 2.153 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207809 643831544 /nfs/dbraw/zinc/83/15/44/643831544.db2.gz IUQCTCJNUVJLME-YESZJQIVSA-N 2 1 303.406 2.153 20 5 DEBDMP C[N@@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843355742 650956283 /nfs/dbraw/zinc/95/62/83/650956283.db2.gz WGZWWUMCUPHEFZ-UHFFFAOYSA-N 2 1 320.393 2.125 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1[N+](=O)[O-] ZINC000925602132 693307610 /nfs/dbraw/zinc/30/76/10/693307610.db2.gz RJSCZIIWGBZPSD-UHOFOFEASA-N 2 1 319.405 2.470 20 5 DEBDMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925776255 693339524 /nfs/dbraw/zinc/33/95/24/693339524.db2.gz KJVBPIKXKSQOOP-MWLCHTKSSA-N 2 1 314.336 2.072 20 5 DEBDMP Cc1c[nH+]c2n1CCC21CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001169024562 785018917 /nfs/dbraw/zinc/01/89/17/785018917.db2.gz XBWBNSPWHVYECM-LSDHHAIUSA-N 2 1 318.421 2.374 20 5 DEBDMP CC[N@@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238396 793657008 /nfs/dbraw/zinc/65/70/08/793657008.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238396 793657012 /nfs/dbraw/zinc/65/70/12/793657012.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP CC[NH+]1C[C@@H]2C[N@@H+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238396 793657013 /nfs/dbraw/zinc/65/70/13/793657013.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 2 1 303.406 2.409 20 5 DEBDMP CN(CC[NH+]1CCCC1)c1cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001165141358 799661793 /nfs/dbraw/zinc/66/17/93/799661793.db2.gz HNUBZSJJSICLKS-TWGQIWQCSA-N 2 1 319.409 2.054 20 5 DEBDMP C[N+](C)(C)CCCO[C@H]1COCC[N@@H+](Cc2ccccc2)C1 ZINC001224621668 802886873 /nfs/dbraw/zinc/88/68/73/802886873.db2.gz YPMMYOGGXNKJFR-GOSISDBHSA-N 2 1 307.458 2.000 20 5 DEBDMP C[C@@H]1CCCC[N@H+]1CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350027 1150398604 /nfs/dbraw/zinc/39/86/04/1150398604.db2.gz ATNISWFTRKBPCS-PBHICJAKSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350027 1150398607 /nfs/dbraw/zinc/39/86/07/1150398607.db2.gz ATNISWFTRKBPCS-PBHICJAKSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350027 1150398611 /nfs/dbraw/zinc/39/86/11/1150398611.db2.gz ATNISWFTRKBPCS-PBHICJAKSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001579475299 1067350184 /nfs/dbraw/zinc/35/01/84/1067350184.db2.gz FBMYFAYNKDNDIK-CALCHBBNSA-N 2 1 319.405 2.295 20 5 DEBDMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCOc1ccc([N+](=O)[O-])cc1)C2 ZINC001579475299 1067350191 /nfs/dbraw/zinc/35/01/91/1067350191.db2.gz FBMYFAYNKDNDIK-CALCHBBNSA-N 2 1 319.405 2.295 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246089570 1140859735 /nfs/dbraw/zinc/85/97/35/1140859735.db2.gz GNRHMECBNYVKMB-OCCSQVGLSA-N 2 1 307.394 2.266 20 5 DEBDMP C[N@@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC001337433211 1142752374 /nfs/dbraw/zinc/75/23/74/1142752374.db2.gz XKUOEHFYGTVXEX-PJODQICGSA-N 2 1 312.373 2.317 20 5 DEBDMP C[N@H+]1C[C@@H]2CC[C@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC001337433211 1142752376 /nfs/dbraw/zinc/75/23/76/1142752376.db2.gz XKUOEHFYGTVXEX-PJODQICGSA-N 2 1 312.373 2.317 20 5 DEBDMP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC001254547790 1143244885 /nfs/dbraw/zinc/24/48/85/1143244885.db2.gz WZDLHWRWVOKBFK-CQSZACIVSA-N 2 1 321.421 2.356 20 5 DEBDMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580260 1143264270 /nfs/dbraw/zinc/26/42/70/1143264270.db2.gz BTHUYNZUXRQHPU-BBRMVZONSA-N 2 1 303.406 2.384 20 5 DEBDMP C[N@@H+]1CCC[C@]2(CC[NH+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045215 530065539 /nfs/dbraw/zinc/06/55/39/530065539.db2.gz STBZFHZIWKLQGI-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[N@H+]1CCC[C@]2(CC[NH+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045215 530065540 /nfs/dbraw/zinc/06/55/40/530065540.db2.gz STBZFHZIWKLQGI-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045215 530065541 /nfs/dbraw/zinc/06/55/41/530065541.db2.gz STBZFHZIWKLQGI-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000293045215 530065542 /nfs/dbraw/zinc/06/55/42/530065542.db2.gz STBZFHZIWKLQGI-KRWDZBQOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[C@@H]1CCC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593730830 358132721 /nfs/dbraw/zinc/13/27/21/358132721.db2.gz HZWHYUBPRODLLZ-CZUORRHYSA-N 2 1 307.394 2.423 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262305365 145274940 /nfs/dbraw/zinc/27/49/40/145274940.db2.gz PAQFRJVCZJRDAH-BFHYXJOUSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1[N+](=O)[O-] ZINC000262305365 145274943 /nfs/dbraw/zinc/27/49/43/145274943.db2.gz PAQFRJVCZJRDAH-BFHYXJOUSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262305367 145275136 /nfs/dbraw/zinc/27/51/36/145275136.db2.gz PAQFRJVCZJRDAH-MELADBBJSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1[N+](=O)[O-] ZINC000262305367 145275137 /nfs/dbraw/zinc/27/51/37/145275137.db2.gz PAQFRJVCZJRDAH-MELADBBJSA-N 2 1 305.378 2.163 20 5 DEBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000245468723 402463836 /nfs/dbraw/zinc/46/38/36/402463836.db2.gz UDJNMMOPYQEWQA-PBHICJAKSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282290730 403140642 /nfs/dbraw/zinc/14/06/42/403140642.db2.gz LQZQHAAEPMKZEU-CQSZACIVSA-N 2 1 320.437 2.271 20 5 DEBDMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672278 403156025 /nfs/dbraw/zinc/15/60/25/403156025.db2.gz VCKPCFCLERYHEI-YOEHRIQHSA-N 2 1 321.421 2.292 20 5 DEBDMP C[NH+](C)Cc1cnc(C[NH2+]CCc2ccccc2[N+](=O)[O-])s1 ZINC000352706177 404563732 /nfs/dbraw/zinc/56/37/32/404563732.db2.gz NXFXDHMXYOLEHG-UHFFFAOYSA-N 2 1 320.418 2.445 20 5 DEBDMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430573940 405459678 /nfs/dbraw/zinc/45/96/78/405459678.db2.gz NGFTUCGTCWRBAM-ZDUSSCGKSA-N 2 1 322.409 2.229 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000447543010 278029568 /nfs/dbraw/zinc/02/95/68/278029568.db2.gz KOAANDXTSIUVAW-KBXIAJHMSA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000447543010 278029571 /nfs/dbraw/zinc/02/95/71/278029571.db2.gz KOAANDXTSIUVAW-KBXIAJHMSA-N 2 1 321.425 2.347 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000765789563 640818556 /nfs/dbraw/zinc/81/85/56/640818556.db2.gz BAOGPMUHEMQCQR-CWRNSKLLSA-N 2 1 319.405 2.417 20 5 DEBDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@@H+]1C ZINC000776591567 642190424 /nfs/dbraw/zinc/19/04/24/642190424.db2.gz KHFSUZKYRXCJHR-KCXAZCMYSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[N@H+]1C ZINC000776591567 642190427 /nfs/dbraw/zinc/19/04/27/642190427.db2.gz KHFSUZKYRXCJHR-KCXAZCMYSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591567 642190428 /nfs/dbraw/zinc/19/04/28/642190428.db2.gz KHFSUZKYRXCJHR-KCXAZCMYSA-N 2 1 307.394 2.043 20 5 DEBDMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC[NH+]1C ZINC000776591567 642190430 /nfs/dbraw/zinc/19/04/30/642190430.db2.gz KHFSUZKYRXCJHR-KCXAZCMYSA-N 2 1 307.394 2.043 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(F)ccc2[N+](=O)[O-])CC1 ZINC000843389170 650964356 /nfs/dbraw/zinc/96/43/56/650964356.db2.gz LIGGHVLPLVFVSM-ZBFHGGJFSA-N 2 1 323.368 2.062 20 5 DEBDMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560256 647031342 /nfs/dbraw/zinc/03/13/42/647031342.db2.gz BZHKQNNYYSVZJN-FPMFFAJLSA-N 2 1 304.394 2.454 20 5 DEBDMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000815560256 647031346 /nfs/dbraw/zinc/03/13/46/647031346.db2.gz BZHKQNNYYSVZJN-FPMFFAJLSA-N 2 1 304.394 2.454 20 5 DEBDMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818941150 647544565 /nfs/dbraw/zinc/54/45/65/647544565.db2.gz PSWFUMSUMHTULI-INIZCTEOSA-N 2 1 307.394 2.091 20 5 DEBDMP C[NH+](C)C1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCCC1 ZINC000876881994 689962775 /nfs/dbraw/zinc/96/27/75/689962775.db2.gz WDAVFEPCAWQWLH-UHFFFAOYSA-N 2 1 321.425 2.349 20 5 DEBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057138 1152055011 /nfs/dbraw/zinc/05/50/11/1152055011.db2.gz NBKCRHZINYQWNC-ZNMIVQPWSA-N 2 1 321.425 2.028 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170298134 786894801 /nfs/dbraw/zinc/89/48/01/786894801.db2.gz GAIDUFLLKDINOT-LBPRGKRZSA-N 2 1 307.394 2.218 20 5 DEBDMP CN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@]1(C)CCC[NH2+]C1 ZINC001156976086 798121790 /nfs/dbraw/zinc/12/17/90/798121790.db2.gz ALQIJCQPEJCUTE-YXMGTMDOSA-N 2 1 319.409 2.100 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553333 1140959755 /nfs/dbraw/zinc/95/97/55/1140959755.db2.gz AUIVKDYHMYXOKD-WCQYABFASA-N 2 1 313.348 2.442 20 5 DEBDMP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553333 1140959777 /nfs/dbraw/zinc/95/97/77/1140959777.db2.gz AUIVKDYHMYXOKD-WCQYABFASA-N 2 1 313.348 2.442 20 5 DEBDMP C[C@@H]1CCC[N@@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730823 358132531 /nfs/dbraw/zinc/13/25/31/358132531.db2.gz HQRRIIQLWVIPPB-KGLIPLIRSA-N 2 1 307.394 2.423 20 5 DEBDMP O=[N+]([O-])c1ccc2oc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)nc2c1 ZINC000358505613 147146379 /nfs/dbraw/zinc/14/63/79/147146379.db2.gz KOYMFKLRNSZFNK-UHFFFAOYSA-N 2 1 316.361 2.312 20 5 DEBDMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000320605237 404067223 /nfs/dbraw/zinc/06/72/23/404067223.db2.gz AUFRPFNSTKOLRV-OKILXGFUSA-N 2 1 305.378 2.035 20 5 DEBDMP C[C@@H]1C[C@@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000422624986 230156948 /nfs/dbraw/zinc/15/69/48/230156948.db2.gz AGUISUWXPPPBLA-MCIONIFRSA-N 2 1 307.394 2.279 20 5 DEBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818964945 647552163 /nfs/dbraw/zinc/55/21/63/647552163.db2.gz AOENZCSJBBFDFG-LRDDRELGSA-N 2 1 318.377 2.059 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@@H+]1CCCC[C@H]1C ZINC000876930849 689975325 /nfs/dbraw/zinc/97/53/25/689975325.db2.gz DXMJCSAICYRSRW-DNDYEEKYSA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[N@H+]1CCCC[C@H]1C ZINC000876930849 689975327 /nfs/dbraw/zinc/97/53/27/689975327.db2.gz DXMJCSAICYRSRW-DNDYEEKYSA-N 2 1 321.425 2.347 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298097 786894154 /nfs/dbraw/zinc/89/41/54/786894154.db2.gz ZXQRJYGXSYORAZ-STQMWFEESA-N 2 1 307.394 2.076 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329572 786910646 /nfs/dbraw/zinc/91/06/46/786910646.db2.gz RQGLXRAGXBPOHE-DVOMOZLQSA-N 2 1 321.421 2.464 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c([N+](=O)[O-])c1 ZINC001170329572 786910651 /nfs/dbraw/zinc/91/06/51/786910651.db2.gz RQGLXRAGXBPOHE-DVOMOZLQSA-N 2 1 321.421 2.464 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[C@@H]2C[N@@H+](C)C[C@@H]12 ZINC001461832105 1058720697 /nfs/dbraw/zinc/72/06/97/1058720697.db2.gz SAFQDRKDAURVDE-DAXOMENPSA-N 2 1 319.405 2.423 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001254559972 1143248968 /nfs/dbraw/zinc/24/89/68/1143248968.db2.gz DFXGWQYXEMTBJU-IMJJTQAJSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CC[N@H+](C)C[C@H]2C1 ZINC001254559972 1143248984 /nfs/dbraw/zinc/24/89/84/1143248984.db2.gz DFXGWQYXEMTBJU-IMJJTQAJSA-N 2 1 303.406 2.409 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC001254559972 1143248992 /nfs/dbraw/zinc/24/89/92/1143248992.db2.gz DFXGWQYXEMTBJU-IMJJTQAJSA-N 2 1 303.406 2.409 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314263 358052694 /nfs/dbraw/zinc/05/26/94/358052694.db2.gz BLWYLHQEZTZTAC-INMHGKMJSA-N 2 1 319.405 2.313 20 5 DEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)C1CCN(CCO)CC1 ZINC000441318263 238017392 /nfs/dbraw/zinc/01/73/92/238017392.db2.gz OOHUHLIJKHXXSO-ZDUSSCGKSA-N 2 1 307.394 2.044 20 5 DEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)C1CCN(CCO)CC1 ZINC000441318263 238017393 /nfs/dbraw/zinc/01/73/93/238017393.db2.gz OOHUHLIJKHXXSO-ZDUSSCGKSA-N 2 1 307.394 2.044 20 5 DEBDMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000530354853 284406590 /nfs/dbraw/zinc/40/65/90/284406590.db2.gz QYBPWAOMHFBAIT-INIZCTEOSA-N 2 1 314.389 2.482 20 5 DEBDMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268873186 207042241 /nfs/dbraw/zinc/04/22/41/207042241.db2.gz VVHOZCMNBDBALH-DLBZAZTESA-N 2 1 321.421 2.482 20 5 DEBDMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269623267 403150945 /nfs/dbraw/zinc/15/09/45/403150945.db2.gz BVMVOGWGZGPZRV-QGZVFWFLSA-N 2 1 321.421 2.433 20 5 DEBDMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269623267 403150947 /nfs/dbraw/zinc/15/09/47/403150947.db2.gz BVMVOGWGZGPZRV-QGZVFWFLSA-N 2 1 321.421 2.433 20 5 DEBDMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779556 404732407 /nfs/dbraw/zinc/73/24/07/404732407.db2.gz KKNJHBDTIASNQY-HUUCEWRRSA-N 2 1 319.405 2.425 20 5 DEBDMP [NH3+]C[C@@H]1CC[N@@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430959870 405548404 /nfs/dbraw/zinc/54/84/04/405548404.db2.gz FGELNNVXHFHFLF-LBPRGKRZSA-N 2 1 316.361 2.073 20 5 DEBDMP CCC[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000431100546 405577282 /nfs/dbraw/zinc/57/72/82/405577282.db2.gz VNRAKUFLHAYOAB-UHFFFAOYSA-N 2 1 307.394 2.438 20 5 DEBDMP COc1c(O)ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1[N+](=O)[O-] ZINC000894743846 637192451 /nfs/dbraw/zinc/19/24/51/637192451.db2.gz YTKADYLZUWGDLT-YHWZYXNKSA-N 2 1 321.377 2.024 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905712083 644010936 /nfs/dbraw/zinc/01/09/36/644010936.db2.gz FATBBRUGHRLYRZ-IKGGRYGDSA-N 2 1 303.406 2.153 20 5 DEBDMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925776257 693340191 /nfs/dbraw/zinc/34/01/91/693340191.db2.gz KJVBPIKXKSQOOP-ONGXEEELSA-N 2 1 314.336 2.072 20 5 DEBDMP C[N@@H+]1CCc2c(NC[C@H]3CCCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001171335838 791786950 /nfs/dbraw/zinc/78/69/50/791786950.db2.gz SMVQWGVOWPUPLT-GFCCVEGCSA-N 2 1 304.394 2.137 20 5 DEBDMP C[N@H+]1CCc2c(NC[C@H]3CCCC[NH2+]3)ccc([N+](=O)[O-])c2C1 ZINC001171335838 791786952 /nfs/dbraw/zinc/78/69/52/791786952.db2.gz SMVQWGVOWPUPLT-GFCCVEGCSA-N 2 1 304.394 2.137 20 5 DEBDMP CC(C)N(CCC[NH3+])c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001156124057 797929396 /nfs/dbraw/zinc/92/93/96/797929396.db2.gz JWHHGPRVQLKDPD-RMKNXTFCSA-N 2 1 307.398 2.086 20 5 DEBDMP CN(CC[NH+]1CCCC1)c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001165141357 799661781 /nfs/dbraw/zinc/66/17/81/799661781.db2.gz HNUBZSJJSICLKS-RMKNXTFCSA-N 2 1 319.409 2.054 20 5 DEBDMP C[N@@H+]1C[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933733639 800174082 /nfs/dbraw/zinc/17/40/82/800174082.db2.gz GXNOIOCWVZXNNO-PBHICJAKSA-N 2 1 319.405 2.247 20 5 DEBDMP C[N@H+]1C[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933733639 800174087 /nfs/dbraw/zinc/17/40/87/800174087.db2.gz GXNOIOCWVZXNNO-PBHICJAKSA-N 2 1 319.405 2.247 20 5 DEBDMP C[NH+]1C[C@@H]2C[N@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933733639 800174090 /nfs/dbraw/zinc/17/40/90/800174090.db2.gz GXNOIOCWVZXNNO-PBHICJAKSA-N 2 1 319.405 2.247 20 5 DEBDMP C[NH+]1C[C@@H]2C[N@@H+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@]2(C)C1 ZINC000933733639 800174094 /nfs/dbraw/zinc/17/40/94/800174094.db2.gz GXNOIOCWVZXNNO-PBHICJAKSA-N 2 1 319.405 2.247 20 5 DEBDMP CCC(CC)(C[NH3+])C[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC001577051645 1066754336 /nfs/dbraw/zinc/75/43/36/1066754336.db2.gz WRLWGCZOAMFJME-UHFFFAOYSA-N 2 1 320.437 2.482 20 5 DEBDMP Cc1c(C[NH2+]CCCCC[NH+]2CCNCC2)cccc1[N+](=O)[O-] ZINC001579534370 1067364024 /nfs/dbraw/zinc/36/40/24/1067364024.db2.gz HGZXJBVWSRDVRM-UHFFFAOYSA-N 2 1 320.437 2.068 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1CCc2[nH+]ccn2CC1 ZINC001254566831 1143251860 /nfs/dbraw/zinc/25/18/60/1143251860.db2.gz UNQMVVGCBHAKPA-CYBMUJFWSA-N 2 1 300.362 2.281 20 5 DEBDMP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1CCc2[nH+]ccn2CC1 ZINC001254566831 1143251869 /nfs/dbraw/zinc/25/18/69/1143251869.db2.gz UNQMVVGCBHAKPA-CYBMUJFWSA-N 2 1 300.362 2.281 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277201875 213362953 /nfs/dbraw/zinc/36/29/53/213362953.db2.gz MQUPLGUHHPCJJQ-CQSZACIVSA-N 2 1 307.394 2.390 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277201875 213362955 /nfs/dbraw/zinc/36/29/55/213362955.db2.gz MQUPLGUHHPCJJQ-CQSZACIVSA-N 2 1 307.394 2.390 20 5 DEBDMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000266059678 205065048 /nfs/dbraw/zinc/06/50/48/205065048.db2.gz AMAPRNRDNLXPFH-TZMCWYRMSA-N 2 1 307.394 2.423 20 5 DEBDMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@H](C)C1 ZINC000266059678 205065055 /nfs/dbraw/zinc/06/50/55/205065055.db2.gz AMAPRNRDNLXPFH-TZMCWYRMSA-N 2 1 307.394 2.423 20 5 DEBDMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337822171 404262294 /nfs/dbraw/zinc/26/22/94/404262294.db2.gz UZIJKBXRHWYFKJ-KBPBESRZSA-N 2 1 305.378 2.320 20 5 DEBDMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1[N+](=O)[O-] ZINC000337822171 404262304 /nfs/dbraw/zinc/26/23/04/404262304.db2.gz UZIJKBXRHWYFKJ-KBPBESRZSA-N 2 1 305.378 2.320 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000342106094 404370735 /nfs/dbraw/zinc/37/07/35/404370735.db2.gz OSBJGJJOULENJA-APHBMKBZSA-N 2 1 305.378 2.033 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000571738825 406558496 /nfs/dbraw/zinc/55/84/96/406558496.db2.gz KBKJIUISWRKYAL-UHFFFAOYSA-N 2 1 305.378 2.190 20 5 DEBDMP CC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331910336 528988697 /nfs/dbraw/zinc/98/86/97/528988697.db2.gz MVEICNODJNHTCN-GJZGRUSLSA-N 2 1 321.425 2.349 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923425921 637171712 /nfs/dbraw/zinc/17/17/12/637171712.db2.gz AAIOPNLWSBMHSE-IRXDYDNUSA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923425921 637171714 /nfs/dbraw/zinc/17/17/14/637171714.db2.gz AAIOPNLWSBMHSE-IRXDYDNUSA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)C1CC1 ZINC000902475998 643043280 /nfs/dbraw/zinc/04/32/80/643043280.db2.gz LITVOELWDQKUCJ-FXUDXRNXSA-N 2 1 301.390 2.398 20 5 DEBDMP CC(C)C[N@@H+](CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000872744708 689081751 /nfs/dbraw/zinc/08/17/51/689081751.db2.gz XKRIDRSDNWFZFE-UHFFFAOYSA-N 2 1 309.414 2.049 20 5 DEBDMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000878867624 690517153 /nfs/dbraw/zinc/51/71/53/690517153.db2.gz VGWXMBUTIWDKEW-MRXNPFEDSA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+](C)/C=C/c1cc(NCC[C@H]2CCC[NH2+]2)ncc1[N+](=O)[O-] ZINC001158626907 798440800 /nfs/dbraw/zinc/44/08/00/798440800.db2.gz IZSBCJFLQAGTGP-YSKGHYERSA-N 2 1 305.382 2.076 20 5 DEBDMP CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c2c1CC[N@H+](C)C2 ZINC001164128894 799517824 /nfs/dbraw/zinc/51/78/24/799517824.db2.gz NPWDQVGGDCFIBJ-UHFFFAOYSA-N 2 1 306.410 2.146 20 5 DEBDMP CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c2c1CC[N@@H+](C)C2 ZINC001164128894 799517829 /nfs/dbraw/zinc/51/78/29/799517829.db2.gz NPWDQVGGDCFIBJ-UHFFFAOYSA-N 2 1 306.410 2.146 20 5 DEBDMP C[C@@H]1CC[C@H](C[NH3+])CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164468286 799603989 /nfs/dbraw/zinc/60/39/89/799603989.db2.gz PZCSGDNMRWWDDV-AMRKSYTLSA-N 2 1 319.409 2.086 20 5 DEBDMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601433 1143275020 /nfs/dbraw/zinc/27/50/20/1143275020.db2.gz ZXTJEYDVQFDERC-QGZVFWFLSA-N 2 1 303.406 2.336 20 5 DEBDMP C[N@H+]1CC[C@@]2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608212 1143279953 /nfs/dbraw/zinc/27/99/53/1143279953.db2.gz PRGIIGPJQJXRQN-DLBZAZTESA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@@]2(CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608212 1143279962 /nfs/dbraw/zinc/27/99/62/1143279962.db2.gz PRGIIGPJQJXRQN-DLBZAZTESA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+]1CC[C@@]2(CC[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608212 1143279977 /nfs/dbraw/zinc/27/99/77/1143279977.db2.gz PRGIIGPJQJXRQN-DLBZAZTESA-N 2 1 301.390 2.090 20 5 DEBDMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447538800 282249503 /nfs/dbraw/zinc/24/95/03/282249503.db2.gz DIQIYADYFJIFGS-SOUVJXGZSA-N 2 1 321.425 2.205 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059674 205065782 /nfs/dbraw/zinc/06/57/82/205065782.db2.gz AMAPRNRDNLXPFH-JSGCOSHPSA-N 2 1 307.394 2.423 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OC)c([N+](=O)[O-])c2)[C@@H](C)C1 ZINC000266059674 205065784 /nfs/dbraw/zinc/06/57/84/205065784.db2.gz AMAPRNRDNLXPFH-JSGCOSHPSA-N 2 1 307.394 2.423 20 5 DEBDMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc([N+](=O)[O-])c1 ZINC000268873193 207041454 /nfs/dbraw/zinc/04/14/54/207041454.db2.gz VVHOZCMNBDBALH-SJORKVTESA-N 2 1 321.421 2.482 20 5 DEBDMP C[N@H+]1CCC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158776914 197301094 /nfs/dbraw/zinc/30/10/94/197301094.db2.gz BIJDQZAUICEYQO-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158776914 197301095 /nfs/dbraw/zinc/30/10/95/197301095.db2.gz BIJDQZAUICEYQO-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158776914 197301097 /nfs/dbraw/zinc/30/10/97/197301097.db2.gz BIJDQZAUICEYQO-YOEHRIQHSA-N 2 1 319.405 2.390 20 5 DEBDMP COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261971004 145248636 /nfs/dbraw/zinc/24/86/36/145248636.db2.gz IFQQWFKRJWQJSG-UHFFFAOYSA-N 2 1 305.378 2.179 20 5 DEBDMP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266891566 402997326 /nfs/dbraw/zinc/99/73/26/402997326.db2.gz DAKHVQZXHYZEJE-OAHLLOKOSA-N 2 1 320.437 2.225 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000342092963 404360997 /nfs/dbraw/zinc/36/09/97/404360997.db2.gz DTCKBVLSKJDKMF-CYZMBNFOSA-N 2 1 316.361 2.295 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@H]21 ZINC000342092963 404361004 /nfs/dbraw/zinc/36/10/04/404361004.db2.gz DTCKBVLSKJDKMF-CYZMBNFOSA-N 2 1 316.361 2.295 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000342106095 404370188 /nfs/dbraw/zinc/37/01/88/404370188.db2.gz OSBJGJJOULENJA-DAXOMENPSA-N 2 1 305.378 2.033 20 5 DEBDMP Cc1c(NC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C)cccc1[N+](=O)[O-] ZINC000420372573 405336050 /nfs/dbraw/zinc/33/60/50/405336050.db2.gz YIHXFEUJMKXPKC-CQSZACIVSA-N 2 1 322.409 2.195 20 5 DEBDMP [NH3+]C[C@@H]([NH2+]CCOc1cccc([N+](=O)[O-])c1)C1CCCCC1 ZINC000420377306 405337824 /nfs/dbraw/zinc/33/78/24/405337824.db2.gz VZSOVAYEVMQQER-MRXNPFEDSA-N 2 1 307.394 2.471 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@@H+]1C ZINC000447543006 405417322 /nfs/dbraw/zinc/41/73/22/405417322.db2.gz KOAANDXTSIUVAW-APIJFGDWSA-N 2 1 321.425 2.347 20 5 DEBDMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[N@H+]1C ZINC000447543006 405417323 /nfs/dbraw/zinc/41/73/23/405417323.db2.gz KOAANDXTSIUVAW-APIJFGDWSA-N 2 1 321.425 2.347 20 5 DEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259449 405739567 /nfs/dbraw/zinc/73/95/67/405739567.db2.gz DSVFUKXTFZGGQU-JSGCOSHPSA-N 2 1 322.409 2.275 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027391 536898958 /nfs/dbraw/zinc/89/89/58/536898958.db2.gz RBIADXIJEULZCW-OUCADQQQSA-N 2 1 307.394 2.422 20 5 DEBDMP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000358027391 536898959 /nfs/dbraw/zinc/89/89/59/536898959.db2.gz RBIADXIJEULZCW-OUCADQQQSA-N 2 1 307.394 2.422 20 5 DEBDMP C[C@@H]1CC2(C[N@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383017 637149171 /nfs/dbraw/zinc/14/91/71/637149171.db2.gz GMXDFHRBJXDOCH-CJNGLKHVSA-N 2 1 319.405 2.092 20 5 DEBDMP [NH3+]CC[C@H]1CC[N@@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000904405626 643660207 /nfs/dbraw/zinc/66/02/07/643660207.db2.gz LMLPBWXIPRFKQI-JTQLQIEISA-N 2 1 315.320 2.367 20 5 DEBDMP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142942 646978924 /nfs/dbraw/zinc/97/89/24/646978924.db2.gz ADHKNKUZVZDULA-SJORKVTESA-N 2 1 319.405 2.046 20 5 DEBDMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142942 646978927 /nfs/dbraw/zinc/97/89/27/646978927.db2.gz ADHKNKUZVZDULA-SJORKVTESA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142942 646978928 /nfs/dbraw/zinc/97/89/28/646978928.db2.gz ADHKNKUZVZDULA-SJORKVTESA-N 2 1 319.405 2.046 20 5 DEBDMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000815142942 646978930 /nfs/dbraw/zinc/97/89/30/646978930.db2.gz ADHKNKUZVZDULA-SJORKVTESA-N 2 1 319.405 2.046 20 5 DEBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057135 1152054999 /nfs/dbraw/zinc/05/49/99/1152054999.db2.gz NBKCRHZINYQWNC-KKUMJFAQSA-N 2 1 321.425 2.028 20 5 DEBDMP CC(C)C[N@@H+](C)CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620041 1152095922 /nfs/dbraw/zinc/09/59/22/1152095922.db2.gz AAQFSIMQKPUQKL-MRXNPFEDSA-N 2 1 309.410 2.196 20 5 DEBDMP CC(C)C[N@H+](C)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620041 1152095924 /nfs/dbraw/zinc/09/59/24/1152095924.db2.gz AAQFSIMQKPUQKL-MRXNPFEDSA-N 2 1 309.410 2.196 20 5 DEBDMP CC(C)C[N@@H+](C)CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620041 1152095925 /nfs/dbraw/zinc/09/59/25/1152095925.db2.gz AAQFSIMQKPUQKL-MRXNPFEDSA-N 2 1 309.410 2.196 20 5 DEBDMP C[C@@H]1CN(c2cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@@H+]1C ZINC001164634076 719232972 /nfs/dbraw/zinc/23/29/72/719232972.db2.gz FNDVQKPHIAZHCB-FAVCKAPTSA-N 2 1 319.409 2.051 20 5 DEBDMP C[C@@H]1CN(c2cc(/C=C\[NH+](C)C)c([N+](=O)[O-])cn2)[C@@H](C)C[N@H+]1C ZINC001164634076 719232978 /nfs/dbraw/zinc/23/29/78/719232978.db2.gz FNDVQKPHIAZHCB-FAVCKAPTSA-N 2 1 319.409 2.051 20 5 DEBDMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298094 786894300 /nfs/dbraw/zinc/89/43/00/786894300.db2.gz ZXQRJYGXSYORAZ-CHWSQXEVSA-N 2 1 307.394 2.076 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001580874547 1076010524 /nfs/dbraw/zinc/01/05/24/1076010524.db2.gz ALEMTMBNIFCWPO-SJORKVTESA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC001580874547 1076010531 /nfs/dbraw/zinc/01/05/31/1076010531.db2.gz ALEMTMBNIFCWPO-SJORKVTESA-N 2 1 319.405 2.094 20 5 DEBDMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580265 1143265038 /nfs/dbraw/zinc/26/50/38/1143265038.db2.gz BTHUYNZUXRQHPU-CZUORRHYSA-N 2 1 303.406 2.384 20 5 DEBDMP CCC[N@@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610517 1143281498 /nfs/dbraw/zinc/28/14/98/1143281498.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 2 1 315.417 2.336 20 5 DEBDMP CCC[NH+]1C[C@@H]2C[N@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610517 1143281508 /nfs/dbraw/zinc/28/15/08/1143281508.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 2 1 315.417 2.336 20 5 DEBDMP CCC[NH+]1C[C@@H]2C[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610517 1143281525 /nfs/dbraw/zinc/28/15/25/1143281525.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 2 1 315.417 2.336 20 5 DEBDMP CCOc1cc(CN2C[C@@H]3C[N@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001307989846 1147441182 /nfs/dbraw/zinc/44/11/82/1147441182.db2.gz VKUFKXRSBUDTRM-CABCVRRESA-N 2 1 319.405 2.377 20 5 DEBDMP CCOc1cc(C[N@@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001307989846 1147441190 /nfs/dbraw/zinc/44/11/90/1147441190.db2.gz VKUFKXRSBUDTRM-CABCVRRESA-N 2 1 319.405 2.377 20 5 DEBDMP CCOc1cc(C[N@H+]2C[C@H]3CC[NH+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001307989846 1147441191 /nfs/dbraw/zinc/44/11/91/1147441191.db2.gz VKUFKXRSBUDTRM-CABCVRRESA-N 2 1 319.405 2.377 20 5 DEBDMP CCOc1cc(C[NH+]2C[C@H]3CC[N@H+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001307989846 1147441199 /nfs/dbraw/zinc/44/11/99/1147441199.db2.gz VKUFKXRSBUDTRM-CABCVRRESA-N 2 1 319.405 2.377 20 5 DEBDMP CCOc1cc(C[NH+]2C[C@H]3CC[N@@H+](C)C[C@H]3C2)ccc1[N+](=O)[O-] ZINC001307989846 1147441204 /nfs/dbraw/zinc/44/12/04/1147441204.db2.gz VKUFKXRSBUDTRM-CABCVRRESA-N 2 1 319.405 2.377 20 5 DEBDMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000414804387 404739197 /nfs/dbraw/zinc/73/91/97/404739197.db2.gz XMSOEGJKUISBMU-OAHLLOKOSA-N 2 1 317.393 2.068 20 5 DEBDMP Cc1c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000420324172 405319559 /nfs/dbraw/zinc/31/95/59/405319559.db2.gz GVWLALQEYRYBDA-OAHLLOKOSA-N 2 1 319.405 2.091 20 5 DEBDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274479 405305070 /nfs/dbraw/zinc/30/50/70/405305070.db2.gz ORUZTABSKAAJKU-DOMZBBRYSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274479 405305073 /nfs/dbraw/zinc/30/50/73/405305073.db2.gz ORUZTABSKAAJKU-DOMZBBRYSA-N 2 1 320.393 2.125 20 5 DEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259450 405740648 /nfs/dbraw/zinc/74/06/48/405740648.db2.gz DSVFUKXTFZGGQU-OCCSQVGLSA-N 2 1 322.409 2.275 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000567910892 406159503 /nfs/dbraw/zinc/15/95/03/406159503.db2.gz JFANWQPGOWIHRN-CHWSQXEVSA-N 2 1 320.393 2.043 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923425923 637171646 /nfs/dbraw/zinc/17/16/46/637171646.db2.gz AAIOPNLWSBMHSE-SJORKVTESA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000923425923 637171647 /nfs/dbraw/zinc/17/16/47/637171647.db2.gz AAIOPNLWSBMHSE-SJORKVTESA-N 2 1 319.405 2.094 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584677 642188418 /nfs/dbraw/zinc/18/84/18/642188418.db2.gz OLZMPYXULCPEMV-WMLDXEAASA-N 2 1 319.405 2.046 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584677 642188422 /nfs/dbraw/zinc/18/84/22/642188422.db2.gz OLZMPYXULCPEMV-WMLDXEAASA-N 2 1 319.405 2.046 20 5 DEBDMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819363307 647644157 /nfs/dbraw/zinc/64/41/57/647644157.db2.gz VKVYKSIINSRGSS-MRXNPFEDSA-N 2 1 307.394 2.092 20 5 DEBDMP [NH3+]C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872151083 688938284 /nfs/dbraw/zinc/93/82/84/688938284.db2.gz ULTKUBRGCGENKQ-WCQYABFASA-N 2 1 317.311 2.206 20 5 DEBDMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@H]1C(F)(F)F ZINC000872151083 688938288 /nfs/dbraw/zinc/93/82/88/688938288.db2.gz ULTKUBRGCGENKQ-WCQYABFASA-N 2 1 317.311 2.206 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000886263963 692038709 /nfs/dbraw/zinc/03/87/09/692038709.db2.gz LVRKWRHAXSRXPE-UHFFFAOYSA-N 2 1 313.361 2.097 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000886263963 692038711 /nfs/dbraw/zinc/03/87/11/692038711.db2.gz LVRKWRHAXSRXPE-UHFFFAOYSA-N 2 1 313.361 2.097 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296607 786892629 /nfs/dbraw/zinc/89/26/29/786892629.db2.gz GIWSQFCOJRLZHX-UONOGXRCSA-N 2 1 321.421 2.466 20 5 DEBDMP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccccc3[N+](=O)[O-])C[C@H]2C1 ZINC001254569190 1143253316 /nfs/dbraw/zinc/25/33/16/1143253316.db2.gz IXYUOKGIIBUYGS-NUEKZKHPSA-N 2 1 303.406 2.409 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471180 357882609 /nfs/dbraw/zinc/88/26/09/357882609.db2.gz GZOVKEJYDBUQFT-UHFFFAOYSA-N 2 1 305.378 2.190 20 5 DEBDMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@@H+]1C ZINC000601118300 359927922 /nfs/dbraw/zinc/92/79/22/359927922.db2.gz CETLDPVMAHSSFB-RYUDHWBXSA-N 2 1 300.362 2.460 20 5 DEBDMP C[C@H]1C[C@@H](Nc2cc[nH+]c3ccc([N+](=O)[O-])cc23)CC[N@H+]1C ZINC000601118300 359927924 /nfs/dbraw/zinc/92/79/24/359927924.db2.gz CETLDPVMAHSSFB-RYUDHWBXSA-N 2 1 300.362 2.460 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295552 148084416 /nfs/dbraw/zinc/08/44/16/148084416.db2.gz SIRSWVNJJMBNEU-ZACQAIPSSA-N 2 1 319.405 2.278 20 5 DEBDMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295552 148084419 /nfs/dbraw/zinc/08/44/19/148084419.db2.gz SIRSWVNJJMBNEU-ZACQAIPSSA-N 2 1 319.405 2.278 20 5 DEBDMP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN(C)C1CC1 ZINC000290075548 404030622 /nfs/dbraw/zinc/03/06/22/404030622.db2.gz ULWYQWPQIZUHQP-KRWDZBQOSA-N 2 1 321.421 2.260 20 5 DEBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)CN(C)C1CC1 ZINC000290075548 404030627 /nfs/dbraw/zinc/03/06/27/404030627.db2.gz ULWYQWPQIZUHQP-KRWDZBQOSA-N 2 1 321.421 2.260 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000342092964 404361180 /nfs/dbraw/zinc/36/11/80/404361180.db2.gz DTCKBVLSKJDKMF-KGYLQXTDSA-N 2 1 316.361 2.295 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4cc([N+](=O)[O-])ccc4o3)C[C@@H]21 ZINC000342092964 404361183 /nfs/dbraw/zinc/36/11/83/404361183.db2.gz DTCKBVLSKJDKMF-KGYLQXTDSA-N 2 1 316.361 2.295 20 5 DEBDMP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420360249 405331361 /nfs/dbraw/zinc/33/13/61/405331361.db2.gz KWOXVQHGNJLQGR-AWEZNQCLSA-N 2 1 322.409 2.195 20 5 DEBDMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274485 405305433 /nfs/dbraw/zinc/30/54/33/405305433.db2.gz ORUZTABSKAAJKU-WFASDCNBSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274485 405305435 /nfs/dbraw/zinc/30/54/35/405305435.db2.gz ORUZTABSKAAJKU-WFASDCNBSA-N 2 1 320.393 2.125 20 5 DEBDMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430600491 405464573 /nfs/dbraw/zinc/46/45/73/405464573.db2.gz SAVXZIKDEKUNRE-OAHLLOKOSA-N 2 1 322.409 2.229 20 5 DEBDMP C[N@H+](CCC[NH+]1CCCC1)CCOc1cccc([N+](=O)[O-])c1 ZINC000337279582 522747986 /nfs/dbraw/zinc/74/79/86/522747986.db2.gz ULEWUSNHTAFWTO-UHFFFAOYSA-N 2 1 307.394 2.391 20 5 DEBDMP C[N@@H+](CCC[NH+]1CCCC1)CCOc1cccc([N+](=O)[O-])c1 ZINC000337279582 522747989 /nfs/dbraw/zinc/74/79/89/522747989.db2.gz ULEWUSNHTAFWTO-UHFFFAOYSA-N 2 1 307.394 2.391 20 5 DEBDMP CC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280039 642153206 /nfs/dbraw/zinc/15/32/06/642153206.db2.gz WGOAIHXTPMHTNO-INIZCTEOSA-N 2 1 307.394 2.044 20 5 DEBDMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776280039 642153210 /nfs/dbraw/zinc/15/32/10/642153210.db2.gz WGOAIHXTPMHTNO-INIZCTEOSA-N 2 1 307.394 2.044 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902317777 642988998 /nfs/dbraw/zinc/98/89/98/642988998.db2.gz GCSUPTDQZAWGCL-ZDUSSCGKSA-N 2 1 307.394 2.471 20 5 DEBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876897480 689967554 /nfs/dbraw/zinc/96/75/54/689967554.db2.gz UEXCFANMDHEJLX-WLYUNCDWSA-N 2 1 321.425 2.349 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841695 692207838 /nfs/dbraw/zinc/20/78/38/692207838.db2.gz SMJWIRGCAMLYMU-AWEZNQCLSA-N 2 1 304.394 2.201 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869789 692216287 /nfs/dbraw/zinc/21/62/87/692216287.db2.gz IIOBQXAPICWYEB-KRWDZBQOSA-N 2 1 319.405 2.439 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886869789 692216288 /nfs/dbraw/zinc/21/62/88/692216288.db2.gz IIOBQXAPICWYEB-KRWDZBQOSA-N 2 1 319.405 2.439 20 5 DEBDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1ccc([N+](=O)[O-])cc1 ZINC000925848189 693353144 /nfs/dbraw/zinc/35/31/44/693353144.db2.gz BQXBXGGLNJVONE-OAHLLOKOSA-N 2 1 320.437 2.321 20 5 DEBDMP Cc1nn(C[N@@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057136 1152055068 /nfs/dbraw/zinc/05/50/68/1152055068.db2.gz NBKCRHZINYQWNC-RRFJBIMHSA-N 2 1 321.425 2.028 20 5 DEBDMP [NH3+]CCc1c[nH+]cn1[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172896867 793521529 /nfs/dbraw/zinc/52/15/29/793521529.db2.gz SWSNKSMPCJAOAJ-AWEZNQCLSA-N 2 1 300.362 2.413 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@@H](C[NH3+])C(C)(C)C)ncc1[N+](=O)[O-] ZINC001160914219 798761782 /nfs/dbraw/zinc/76/17/82/798761782.db2.gz KDGYRHLWQZLEHI-YBJDMEARSA-N 2 1 307.398 2.307 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337055 799064255 /nfs/dbraw/zinc/06/42/55/799064255.db2.gz KHONTEPCMQGQBA-FSNWXROXSA-N 2 1 319.409 2.418 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337055 799064261 /nfs/dbraw/zinc/06/42/61/799064261.db2.gz KHONTEPCMQGQBA-FSNWXROXSA-N 2 1 319.409 2.418 20 5 DEBDMP C[N@@H+]1CCc2c(N[C@H]3C[NH+]4CCC3CC4)ccc([N+](=O)[O-])c2C1 ZINC001163394969 799330457 /nfs/dbraw/zinc/33/04/57/799330457.db2.gz NQYPKDDXFDLLCQ-INIZCTEOSA-N 2 1 316.405 2.089 20 5 DEBDMP C[N@H+]1CCc2c(N[C@H]3C[NH+]4CCC3CC4)ccc([N+](=O)[O-])c2C1 ZINC001163394969 799330466 /nfs/dbraw/zinc/33/04/66/799330466.db2.gz NQYPKDDXFDLLCQ-INIZCTEOSA-N 2 1 316.405 2.089 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246087015 1140858882 /nfs/dbraw/zinc/85/88/82/1140858882.db2.gz XWKFDORIJQYOGO-OBJOEFQTSA-N 2 1 307.394 2.265 20 5 DEBDMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001246098301 1140860928 /nfs/dbraw/zinc/86/09/28/1140860928.db2.gz QQBKXVVMAGJKBG-PVUWLOKVSA-N 2 1 303.406 2.430 20 5 DEBDMP COc1ccc(C[C@@H](C)[N@H+]2CCC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539213 1140944786 /nfs/dbraw/zinc/94/47/86/1140944786.db2.gz FNAVYSMCBKIJEG-OCCSQVGLSA-N 2 1 307.394 2.348 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553330 1140960965 /nfs/dbraw/zinc/96/09/65/1140960965.db2.gz AUIVKDYHMYXOKD-DGCLKSJQSA-N 2 1 313.348 2.442 20 5 DEBDMP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1CCC(F)(F)[C@H](C[NH3+])C1 ZINC001246553330 1140960985 /nfs/dbraw/zinc/96/09/85/1140960985.db2.gz AUIVKDYHMYXOKD-DGCLKSJQSA-N 2 1 313.348 2.442 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC001254574171 1143259609 /nfs/dbraw/zinc/25/96/09/1143259609.db2.gz GNRMKRFXLMNMQN-HNNXBMFYSA-N 2 1 301.390 2.278 20 5 DEBDMP C[NH+]1CCC2(CC[N@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254602777 1143276930 /nfs/dbraw/zinc/27/69/30/1143276930.db2.gz ITBGXYPTEABKAY-QGZVFWFLSA-N 2 1 315.417 2.480 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327090251 1148322768 /nfs/dbraw/zinc/32/27/68/1148322768.db2.gz RKVYXMICUWBRMB-UHFFFAOYSA-N 2 1 319.405 2.439 20 5 DEBDMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000173405651 198210975 /nfs/dbraw/zinc/21/09/75/198210975.db2.gz UDJNMMOPYQEWQA-WMLDXEAASA-N 2 1 321.421 2.482 20 5 DEBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127356369 401730321 /nfs/dbraw/zinc/73/03/21/401730321.db2.gz UZYNMICTJIVJRU-CYBMUJFWSA-N 2 1 305.378 2.177 20 5 DEBDMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1[N+](=O)[O-] ZINC000127356369 401730325 /nfs/dbraw/zinc/73/03/25/401730325.db2.gz UZYNMICTJIVJRU-CYBMUJFWSA-N 2 1 305.378 2.177 20 5 DEBDMP Cc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277947862 403273438 /nfs/dbraw/zinc/27/34/38/403273438.db2.gz RHLBUHVEVWBLKZ-HNNXBMFYSA-N 2 1 321.421 2.494 20 5 DEBDMP Cc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1[N+](=O)[O-] ZINC000277947862 403273440 /nfs/dbraw/zinc/27/34/40/403273440.db2.gz RHLBUHVEVWBLKZ-HNNXBMFYSA-N 2 1 321.421 2.494 20 5 DEBDMP C[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285571852 403330194 /nfs/dbraw/zinc/33/01/94/403330194.db2.gz SLMHMVDBPFXYGC-ADNJVRNUSA-N 2 1 319.405 2.185 20 5 DEBDMP C[N@@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285571852 403330200 /nfs/dbraw/zinc/33/02/00/403330200.db2.gz SLMHMVDBPFXYGC-ADNJVRNUSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285571852 403330202 /nfs/dbraw/zinc/33/02/02/403330202.db2.gz SLMHMVDBPFXYGC-ADNJVRNUSA-N 2 1 319.405 2.185 20 5 DEBDMP C[NH+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285571852 403330206 /nfs/dbraw/zinc/33/02/06/403330206.db2.gz SLMHMVDBPFXYGC-ADNJVRNUSA-N 2 1 319.405 2.185 20 5 DEBDMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414784599 404734473 /nfs/dbraw/zinc/73/44/73/404734473.db2.gz INJFRUSAAYKLAY-OAHLLOKOSA-N 2 1 319.405 2.091 20 5 DEBDMP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420357341 405330424 /nfs/dbraw/zinc/33/04/24/405330424.db2.gz HJWUXJZBEGJQQI-CQSZACIVSA-N 2 1 322.409 2.195 20 5 DEBDMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688106 638671143 /nfs/dbraw/zinc/67/11/43/638671143.db2.gz IWQVQOSIARSMFK-KMFMINBZSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688106 638671146 /nfs/dbraw/zinc/67/11/46/638671146.db2.gz IWQVQOSIARSMFK-KMFMINBZSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688106 638671148 /nfs/dbraw/zinc/67/11/48/638671148.db2.gz IWQVQOSIARSMFK-KMFMINBZSA-N 2 1 321.421 2.433 20 5 DEBDMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2cccc([N+](=O)[O-])c2)C[C@H]1C ZINC000749688106 638671151 /nfs/dbraw/zinc/67/11/51/638671151.db2.gz IWQVQOSIARSMFK-KMFMINBZSA-N 2 1 321.421 2.433 20 5 DEBDMP O=[N+]([O-])c1ccccc1C[C@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471259 643051710 /nfs/dbraw/zinc/05/17/10/643051710.db2.gz LITVOELWDQKUCJ-XUWVNRHRSA-N 2 1 301.390 2.398 20 5 DEBDMP COc1cc(C[N@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411236 643662055 /nfs/dbraw/zinc/66/20/55/643662055.db2.gz KFYTXYHGWZXHRH-RYUDHWBXSA-N 2 1 323.393 2.029 20 5 DEBDMP O=[N+]([O-])c1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886838272 692206594 /nfs/dbraw/zinc/20/65/94/692206594.db2.gz URCUXYYNYNRZAV-UONOGXRCSA-N 2 1 304.394 2.201 20 5 DEBDMP COc1ccc(C[C@H](C)n2c(C)c[nH+]c2CC[NH3+])c([N+](=O)[O-])c1 ZINC001170297401 786892967 /nfs/dbraw/zinc/89/29/67/786892967.db2.gz NRCPIMHFKNOPCM-NSHDSACASA-N 2 1 318.377 2.413 20 5 DEBDMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918854 793532426 /nfs/dbraw/zinc/53/24/26/793532426.db2.gz CRRWVNIKPIDKQK-IXDOHACOSA-N 2 1 315.417 2.336 20 5 DEBDMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CCc4ccc([N+](=O)[O-])cc4CC3)C[C@@H]2C1 ZINC001172918854 793532436 /nfs/dbraw/zinc/53/24/36/793532436.db2.gz CRRWVNIKPIDKQK-IXDOHACOSA-N 2 1 315.417 2.336 20 5 DEBDMP C[C@H]1CC[C@@H](C[NH3+])CN1c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1 ZINC001164468289 799603845 /nfs/dbraw/zinc/60/38/45/799603845.db2.gz PZCSGDNMRWWDDV-XKZLPGLHSA-N 2 1 319.409 2.086 20 5 DEBDMP C[N@H+](CCC[NH+]1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600906 1143273862 /nfs/dbraw/zinc/27/38/62/1143273862.db2.gz SEMFCQIEIVCTAI-KRWDZBQOSA-N 2 1 303.406 2.480 20 5 DEBDMP C[N@@H+](CCC[NH+]1CCCC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254600906 1143273871 /nfs/dbraw/zinc/27/38/71/1143273871.db2.gz SEMFCQIEIVCTAI-KRWDZBQOSA-N 2 1 303.406 2.480 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000342100371 404367274 /nfs/dbraw/zinc/36/72/74/404367274.db2.gz JZSBAGHDLFVLDV-HZSPNIEDSA-N 2 1 305.378 2.033 20 5 DEBDMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423259451 405740553 /nfs/dbraw/zinc/74/05/53/405740553.db2.gz DSVFUKXTFZGGQU-TZMCWYRMSA-N 2 1 322.409 2.275 20 5 DEBDMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000569340577 406240384 /nfs/dbraw/zinc/24/03/84/406240384.db2.gz QYLMTDALXXWXIM-RKDXNWHRSA-N 2 1 303.309 2.412 20 5 DEBDMP Cc1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423077007 230339612 /nfs/dbraw/zinc/33/96/12/230339612.db2.gz KZSCBEASEPLNTC-OAGGEKHMSA-N 2 1 319.405 2.150 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150799224 275037375 /nfs/dbraw/zinc/03/73/75/275037375.db2.gz VMGFWBFGAKIYCA-OAHLLOKOSA-N 2 1 319.405 2.391 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150799224 275037376 /nfs/dbraw/zinc/03/73/76/275037376.db2.gz VMGFWBFGAKIYCA-OAHLLOKOSA-N 2 1 319.405 2.391 20 5 DEBDMP C[NH+](C)[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447538799 289366120 /nfs/dbraw/zinc/36/61/20/289366120.db2.gz DIQIYADYFJIFGS-RRFJBIMHSA-N 2 1 321.425 2.205 20 5 DEBDMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648764 533814312 /nfs/dbraw/zinc/81/43/12/533814312.db2.gz YQOZNGFLQTXMHH-HLVVYCRESA-N 2 1 304.394 2.453 20 5 DEBDMP C[C@@H]1CC2(C[N@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383019 637149241 /nfs/dbraw/zinc/14/92/41/637149241.db2.gz GMXDFHRBJXDOCH-CZUORRHYSA-N 2 1 319.405 2.092 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968054 640145474 /nfs/dbraw/zinc/14/54/74/640145474.db2.gz UWXRSOGBEUFPFK-GDBMZVCRSA-N 2 1 307.394 2.044 20 5 DEBDMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000759968054 640145478 /nfs/dbraw/zinc/14/54/78/640145478.db2.gz UWXRSOGBEUFPFK-GDBMZVCRSA-N 2 1 307.394 2.044 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497305 643372320 /nfs/dbraw/zinc/37/23/20/643372320.db2.gz UXNXVWNSNBFWAK-CHWSQXEVSA-N 2 1 307.394 2.410 20 5 DEBDMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818968478 647552640 /nfs/dbraw/zinc/55/26/40/647552640.db2.gz BNJKDBPJZWXDDA-INIZCTEOSA-N 2 1 321.421 2.481 20 5 DEBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151410 647595702 /nfs/dbraw/zinc/59/57/02/647595702.db2.gz BLBRGCVXDYAPIH-YOEHRIQHSA-N 2 1 321.421 2.196 20 5 DEBDMP C[NH+]1C[C@]2(C)C[NH+](CCc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931310153 694364060 /nfs/dbraw/zinc/36/40/60/694364060.db2.gz IPOUKADNXIVKLT-IAGOWNOFSA-N 2 1 303.406 2.411 20 5 DEBDMP COc1ccc(C[C@H](C)[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352831 786917391 /nfs/dbraw/zinc/91/73/91/786917391.db2.gz RIXSYICYIBUXCG-AEGPPILISA-N 2 1 319.405 2.028 20 5 DEBDMP COc1ccc(C[C@H](C)[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352831 786917399 /nfs/dbraw/zinc/91/73/99/786917399.db2.gz RIXSYICYIBUXCG-AEGPPILISA-N 2 1 319.405 2.028 20 5 DEBDMP COc1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352831 786917405 /nfs/dbraw/zinc/91/74/05/786917405.db2.gz RIXSYICYIBUXCG-AEGPPILISA-N 2 1 319.405 2.028 20 5 DEBDMP COc1ccc(C[C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c([N+](=O)[O-])c1 ZINC001170352831 786917412 /nfs/dbraw/zinc/91/74/12/786917412.db2.gz RIXSYICYIBUXCG-AEGPPILISA-N 2 1 319.405 2.028 20 5 DEBDMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001577050762 1066753496 /nfs/dbraw/zinc/75/34/96/1066753496.db2.gz CNRPKANQYTYGCX-ZDUSSCGKSA-N 2 1 321.425 2.241 20 5 DEBDMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1ccccc1[N+](=O)[O-] ZINC001560458389 1075140701 /nfs/dbraw/zinc/14/07/01/1075140701.db2.gz NFSDEMAVLMVONW-UHFFFAOYSA-N 2 1 300.362 2.388 20 5 DEBDMP [NH3+]C[C@]1(F)CCC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552862 1140959493 /nfs/dbraw/zinc/95/94/93/1140959493.db2.gz WDCOBCOSBGQWQI-CVEARBPZSA-N 2 1 307.369 2.215 20 5 DEBDMP [NH3+][C@@]12C[C@@H]1CC[N@@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246655417 1141026754 /nfs/dbraw/zinc/02/67/54/1141026754.db2.gz LHBIQAOOYMBYKG-YQQAZPJKSA-N 2 1 301.390 2.265 20 5 DEBDMP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246655417 1141026765 /nfs/dbraw/zinc/02/67/65/1141026765.db2.gz LHBIQAOOYMBYKG-YQQAZPJKSA-N 2 1 301.390 2.265 20 5 DEBDMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314259 358052641 /nfs/dbraw/zinc/05/26/41/358052641.db2.gz BLWYLHQEZTZTAC-BFYDXBDKSA-N 2 1 319.405 2.313 20 5 DEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000593729054 358131131 /nfs/dbraw/zinc/13/11/31/358131131.db2.gz DNUOKMLLDSNTAB-BBRMVZONSA-N 2 1 305.378 2.034 20 5 DEBDMP C[C@@H]1CC2(C[N@H+]1CCOc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424292888 405060003 /nfs/dbraw/zinc/06/00/03/405060003.db2.gz OOPIXRHQNIUVGK-CQSZACIVSA-N 2 1 319.405 2.438 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(F)cccc2[N+](=O)[O-])CC1 ZINC000420327524 405320913 /nfs/dbraw/zinc/32/09/13/405320913.db2.gz GNHXXFYVIJPLLU-ZBFHGGJFSA-N 2 1 323.368 2.062 20 5 DEBDMP C[N@@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC([NH3+])C1 ZINC000420329658 405321556 /nfs/dbraw/zinc/32/15/56/405321556.db2.gz KLRVZFAAKLYKMP-UHFFFAOYSA-N 2 1 316.361 2.214 20 5 DEBDMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274481 405305505 /nfs/dbraw/zinc/30/55/05/405305505.db2.gz ORUZTABSKAAJKU-IUODEOHRSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420274481 405305506 /nfs/dbraw/zinc/30/55/06/405305506.db2.gz ORUZTABSKAAJKU-IUODEOHRSA-N 2 1 320.393 2.125 20 5 DEBDMP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423480064 405819059 /nfs/dbraw/zinc/81/90/59/405819059.db2.gz ORZSUJZQXAUVIJ-WCQYABFASA-N 2 1 313.348 2.360 20 5 DEBDMP C[C@@H]1C[C@H](C)[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000422624990 230156933 /nfs/dbraw/zinc/15/69/33/230156933.db2.gz AGUISUWXPPPBLA-RDBSUJKOSA-N 2 1 307.394 2.279 20 5 DEBDMP C[NH+](C)CC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 ZINC000774836864 641971613 /nfs/dbraw/zinc/97/16/13/641971613.db2.gz WQBNJFWQUYBGRS-UHFFFAOYSA-N 2 1 322.365 2.277 20 5 DEBDMP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+][C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)C1CC1 ZINC000902471260 643051222 /nfs/dbraw/zinc/05/12/22/643051222.db2.gz LITVOELWDQKUCJ-ZJIFWQFVSA-N 2 1 301.390 2.398 20 5 DEBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151409 647595282 /nfs/dbraw/zinc/59/52/82/647595282.db2.gz BLBRGCVXDYAPIH-WMLDXEAASA-N 2 1 321.421 2.196 20 5 DEBDMP C[N@@H+](CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819361014 647643767 /nfs/dbraw/zinc/64/37/67/647643767.db2.gz FZXJNFBTMQOLQA-MRXNPFEDSA-N 2 1 307.394 2.092 20 5 DEBDMP Cc1[nH+]ccn1CC[NH2+][C@H](C)Cc1ccc(F)cc1[N+](=O)[O-] ZINC000866251078 687509062 /nfs/dbraw/zinc/50/90/62/687509062.db2.gz NIRCCLNXKOYNEH-LLVKDONJSA-N 2 1 306.341 2.460 20 5 DEBDMP Cc1ccc[nH+]c1N1CCC([NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168976475 784980973 /nfs/dbraw/zinc/98/09/73/784980973.db2.gz DBSLCECSPWNOIP-HOCLYGCPSA-N 2 1 318.421 2.394 20 5 DEBDMP Cc1ccc[nH+]c1N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053576 785023499 /nfs/dbraw/zinc/02/34/99/785023499.db2.gz IYYUQLBCRFAGRT-ZBFHGGJFSA-N 2 1 318.421 2.394 20 5 DEBDMP Cc1ccc[nH+]c1N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053574 785023520 /nfs/dbraw/zinc/02/35/20/785023520.db2.gz IYYUQLBCRFAGRT-GOEBONIOSA-N 2 1 318.421 2.394 20 5 DEBDMP Cc1cccc(N([C@H]2CC[C@@H](C[N+](=O)[O-])C2)C2CC[NH2+]CC2)[nH+]1 ZINC001169057990 785025822 /nfs/dbraw/zinc/02/58/22/785025822.db2.gz ZXSUKDRVJVODLS-ZBFHGGJFSA-N 2 1 318.421 2.394 20 5 DEBDMP [NH3+][C@@]12C[C@@H]1CC[N@@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246655419 1141026686 /nfs/dbraw/zinc/02/66/86/1141026686.db2.gz LHBIQAOOYMBYKG-ZMSDIMECSA-N 2 1 301.390 2.265 20 5 DEBDMP [NH3+][C@@]12C[C@@H]1CC[N@H+]([C@@H]1CCc3ccc([N+](=O)[O-])cc3CC1)C2 ZINC001246655419 1141026696 /nfs/dbraw/zinc/02/66/96/1141026696.db2.gz LHBIQAOOYMBYKG-ZMSDIMECSA-N 2 1 301.390 2.265 20 5 DEBDMP CC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858472 191239860 /nfs/dbraw/zinc/23/98/60/191239860.db2.gz FHTANZRZMLEGOO-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858472 191239863 /nfs/dbraw/zinc/23/98/63/191239863.db2.gz FHTANZRZMLEGOO-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858472 191239867 /nfs/dbraw/zinc/23/98/67/191239867.db2.gz FHTANZRZMLEGOO-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP CC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc([N+](=O)[O-])c2)C1 ZINC000072858472 191239868 /nfs/dbraw/zinc/23/98/68/191239868.db2.gz FHTANZRZMLEGOO-CQSZACIVSA-N 2 1 307.394 2.247 20 5 DEBDMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173391502 198209682 /nfs/dbraw/zinc/20/96/82/198209682.db2.gz RQFPPAPAGCREFL-HNNXBMFYSA-N 2 1 320.437 2.273 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000319258876 356440949 /nfs/dbraw/zinc/44/09/49/356440949.db2.gz DCHVHIPBRTUKNL-BBRMVZONSA-N 2 1 305.378 2.164 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1[N+](=O)[O-] ZINC000319258876 356440951 /nfs/dbraw/zinc/44/09/51/356440951.db2.gz DCHVHIPBRTUKNL-BBRMVZONSA-N 2 1 305.378 2.164 20 5 DEBDMP COc1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1[N+](=O)[O-] ZINC000591282692 357700271 /nfs/dbraw/zinc/70/02/71/357700271.db2.gz QFKZATGDSAZSKO-ZDUSSCGKSA-N 2 1 305.378 2.368 20 5 DEBDMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315372 358053164 /nfs/dbraw/zinc/05/31/64/358053164.db2.gz IZKROUMLSFMGHE-INMHGKMJSA-N 2 1 319.405 2.313 20 5 DEBDMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC1 ZINC000449103985 240052434 /nfs/dbraw/zinc/05/24/34/240052434.db2.gz DANKISSXEVYSRZ-AWEZNQCLSA-N 2 1 321.421 2.226 20 5 DEBDMP C[N@H+]1CCC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118407 145148631 /nfs/dbraw/zinc/14/86/31/145148631.db2.gz NAJLAQSNVKWMPF-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118407 145148632 /nfs/dbraw/zinc/14/86/32/145148632.db2.gz NAJLAQSNVKWMPF-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[NH+]1CCC[C@@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118407 145148633 /nfs/dbraw/zinc/14/86/33/145148633.db2.gz NAJLAQSNVKWMPF-RHSMWYFYSA-N 2 1 319.405 2.390 20 5 DEBDMP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344059335 403882969 /nfs/dbraw/zinc/88/29/69/403882969.db2.gz LPXOXYJPMUTLLS-HNNXBMFYSA-N 2 1 322.453 2.471 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342094237 404362574 /nfs/dbraw/zinc/36/25/74/404362574.db2.gz FCPFXOJZLLDNOA-VBNZEHGJSA-N 2 1 305.378 2.033 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321034 405318631 /nfs/dbraw/zinc/31/86/31/405318631.db2.gz CDSBSIPYVHJSRP-HUUCEWRRSA-N 2 1 319.405 2.295 20 5 DEBDMP CCC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423504919 405829643 /nfs/dbraw/zinc/82/96/43/405829643.db2.gz GETWUIWKVOQLCR-HZPDHXFCSA-N 2 1 307.394 2.404 20 5 DEBDMP CCC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423504918 405830403 /nfs/dbraw/zinc/83/04/03/405830403.db2.gz GETWUIWKVOQLCR-HOTGVXAUSA-N 2 1 307.394 2.404 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397398244 269106397 /nfs/dbraw/zinc/10/63/97/269106397.db2.gz QAJDADPNZYXWSQ-SCRDCRAPSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397398244 269106398 /nfs/dbraw/zinc/10/63/98/269106398.db2.gz QAJDADPNZYXWSQ-SCRDCRAPSA-N 2 1 307.394 2.409 20 5 DEBDMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000923386686 637155445 /nfs/dbraw/zinc/15/54/45/637155445.db2.gz AGWRHIHKIPPMHB-XYPHTWIQSA-N 2 1 321.421 2.468 20 5 DEBDMP C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000923389266 637155777 /nfs/dbraw/zinc/15/57/77/637155777.db2.gz USLVYSWEYORPLG-KCXAZCMYSA-N 2 1 307.394 2.078 20 5 DEBDMP CCC[NH+]1CCC([N@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592047 642190816 /nfs/dbraw/zinc/19/08/16/642190816.db2.gz ORSXWOWPGZFTST-KRWDZBQOSA-N 2 1 321.421 2.434 20 5 DEBDMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776592047 642190820 /nfs/dbraw/zinc/19/08/20/642190820.db2.gz ORSXWOWPGZFTST-KRWDZBQOSA-N 2 1 321.421 2.434 20 5 DEBDMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984353 647557821 /nfs/dbraw/zinc/55/78/21/647557821.db2.gz FJVCOHQLIQNBPN-YOEHRIQHSA-N 2 1 321.421 2.338 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000819278290 647624727 /nfs/dbraw/zinc/62/47/27/647624727.db2.gz NLMCSZXCQRHNJI-BDVYOWHSSA-N 2 1 319.405 2.235 20 5 DEBDMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000853773665 652601944 /nfs/dbraw/zinc/60/19/44/652601944.db2.gz LNTGGIDADCHQRD-LBPRGKRZSA-N 2 1 312.389 2.418 20 5 DEBDMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(F)c1[N+](=O)[O-] ZINC000853773665 652601946 /nfs/dbraw/zinc/60/19/46/652601946.db2.gz LNTGGIDADCHQRD-LBPRGKRZSA-N 2 1 312.389 2.418 20 5 DEBDMP CCC[N@@H+](CC[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000929983239 694064310 /nfs/dbraw/zinc/06/43/10/694064310.db2.gz ZEHWLRUHSCCGNA-UHFFFAOYSA-N 2 1 321.425 2.051 20 5 DEBDMP CCC[N@H+](CC[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929983239 694064315 /nfs/dbraw/zinc/06/43/15/694064315.db2.gz ZEHWLRUHSCCGNA-UHFFFAOYSA-N 2 1 321.425 2.051 20 5 DEBDMP CCC[N@@H+](CC[N+](=O)[O-])C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000929983239 694064320 /nfs/dbraw/zinc/06/43/20/694064320.db2.gz ZEHWLRUHSCCGNA-UHFFFAOYSA-N 2 1 321.425 2.051 20 5 DEBDMP CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000876889865 689965867 /nfs/dbraw/zinc/96/58/67/689965867.db2.gz SSEBHDXGTNUIQQ-UHFFFAOYSA-N 2 1 321.425 2.349 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+]CCn2cc[nH+]c2C)c([N+](=O)[O-])c1 ZINC001170296637 786893173 /nfs/dbraw/zinc/89/31/73/786893173.db2.gz HDIMVWOIOMGWKC-LBPRGKRZSA-N 2 1 318.377 2.329 20 5 DEBDMP C[C@@H]1CC[N@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1C[NH3+] ZINC001246558642 1140962399 /nfs/dbraw/zinc/96/23/99/1140962399.db2.gz NTCGBVBHGQCIRZ-IFIJOSMWSA-N 2 1 303.406 2.369 20 5 DEBDMP C[C@@H]1CC[N@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1C[NH3+] ZINC001246558644 1140964343 /nfs/dbraw/zinc/96/43/43/1140964343.db2.gz NTCGBVBHGQCIRZ-SUYBPPKGSA-N 2 1 303.406 2.369 20 5 DEBDMP C[C@@H]1CCC[N@@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733994 358132562 /nfs/dbraw/zinc/13/25/62/358132562.db2.gz QOKJWHZYAUOPSI-CZUORRHYSA-N 2 1 307.394 2.423 20 5 DEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2c1 ZINC000601103894 359921203 /nfs/dbraw/zinc/92/12/03/359921203.db2.gz LNDWUUVKSSYFIN-LBPRGKRZSA-N 2 1 312.373 2.461 20 5 DEBDMP O=[N+]([O-])c1ccc2[nH+]ccc(NC[C@@H]3CC[N@H+](C4CC4)C3)c2c1 ZINC000601103894 359921207 /nfs/dbraw/zinc/92/12/07/359921207.db2.gz LNDWUUVKSSYFIN-LBPRGKRZSA-N 2 1 312.373 2.461 20 5 DEBDMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998480 403237772 /nfs/dbraw/zinc/23/77/72/403237772.db2.gz HSFOOKBSJGZVQR-CQDKDKBSSA-N 2 1 304.394 2.454 20 5 DEBDMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000342106097 404370156 /nfs/dbraw/zinc/37/01/56/404370156.db2.gz OSBJGJJOULENJA-VBNZEHGJSA-N 2 1 305.378 2.033 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332248 405322710 /nfs/dbraw/zinc/32/27/10/405322710.db2.gz RRPGZOZAHDLAOO-HUUCEWRRSA-N 2 1 319.405 2.295 20 5 DEBDMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397393905 269105754 /nfs/dbraw/zinc/10/57/54/269105754.db2.gz ORMDRNJIRZKXTR-DYEKYZERSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1[N+](=O)[O-] ZINC000397393905 269105755 /nfs/dbraw/zinc/10/57/55/269105755.db2.gz ORMDRNJIRZKXTR-DYEKYZERSA-N 2 1 307.394 2.409 20 5 DEBDMP CC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000331910334 276151316 /nfs/dbraw/zinc/15/13/16/276151316.db2.gz MVEICNODJNHTCN-CABCVRRESA-N 2 1 321.425 2.349 20 5 DEBDMP CC(C)[N@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309352 637109105 /nfs/dbraw/zinc/10/91/05/637109105.db2.gz KCYKGZIDUHQJPS-MRXNPFEDSA-N 2 1 319.405 2.184 20 5 DEBDMP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]C[C@@H]2CCCCC[NH2+]2)n1 ZINC000902482400 643056992 /nfs/dbraw/zinc/05/69/92/643056992.db2.gz KQQMTQQRUGIXSP-SOUVJXGZSA-N 2 1 321.425 2.397 20 5 DEBDMP C[N@@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722419 643439095 /nfs/dbraw/zinc/43/90/95/643439095.db2.gz ANIXCYWDEWLBRF-HNNXBMFYSA-N 2 1 319.405 2.185 20 5 DEBDMP C[N@H+](Cc1ccccc1[N+](=O)[O-])C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722419 643439098 /nfs/dbraw/zinc/43/90/98/643439098.db2.gz ANIXCYWDEWLBRF-HNNXBMFYSA-N 2 1 319.405 2.185 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000905207804 643831536 /nfs/dbraw/zinc/83/15/36/643831536.db2.gz IUQCTCJNUVJLME-GVDBMIGSSA-N 2 1 303.406 2.153 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000905207804 643831537 /nfs/dbraw/zinc/83/15/37/643831537.db2.gz IUQCTCJNUVJLME-GVDBMIGSSA-N 2 1 303.406 2.153 20 5 DEBDMP C[C@H](CC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)[NH+]1CCCCC1 ZINC000819227150 647612404 /nfs/dbraw/zinc/61/24/04/647612404.db2.gz AUNFXAVPTMIZIM-PBHICJAKSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925776254 693339729 /nfs/dbraw/zinc/33/97/29/693339729.db2.gz KJVBPIKXKSQOOP-KOLCDFICSA-N 2 1 314.336 2.072 20 5 DEBDMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298096 786893674 /nfs/dbraw/zinc/89/36/74/786893674.db2.gz ZXQRJYGXSYORAZ-QWHCGFSZSA-N 2 1 307.394 2.076 20 5 DEBDMP C[N+](C)(C)CCCOC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC001224623105 802886626 /nfs/dbraw/zinc/88/66/26/802886626.db2.gz LEWOLCSEHSKZCO-IBGZPJMESA-N 2 1 321.485 2.390 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H]1C[NH2+]CC13CC3)CC2 ZINC001246132351 1140864123 /nfs/dbraw/zinc/86/41/23/1140864123.db2.gz LXBJVHDQKWXFND-HOCLYGCPSA-N 2 1 301.390 2.184 20 5 DEBDMP COc1ccc(C[C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246542521 1140948631 /nfs/dbraw/zinc/94/86/31/1140948631.db2.gz PXGRPBPVCFHAJU-SGMGOOAPSA-N 2 1 307.394 2.061 20 5 DEBDMP C[C@@H](C[NH3+])C[N@@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470158 1143128982 /nfs/dbraw/zinc/12/89/82/1143128982.db2.gz QBNSTSBVXZLHGI-ZDUSSCGKSA-N 2 1 306.410 2.090 20 5 DEBDMP CC[N@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539069233 285068611 /nfs/dbraw/zinc/06/86/11/285068611.db2.gz SLUMTNICRHSBHN-XJKSGUPXSA-N 2 1 307.394 2.294 20 5 DEBDMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000285382248 403284630 /nfs/dbraw/zinc/28/46/30/403284630.db2.gz WLHHOUDRJZQNIB-NSHDSACASA-N 2 1 303.366 2.423 20 5 DEBDMP O=[N+]([O-])c1ccn(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000369683921 404192493 /nfs/dbraw/zinc/19/24/93/404192493.db2.gz QKVFRKZTVKROMX-UHFFFAOYSA-N 2 1 321.425 2.304 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397398239 269106094 /nfs/dbraw/zinc/10/60/94/269106094.db2.gz QAJDADPNZYXWSQ-DYEKYZERSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397398239 269106096 /nfs/dbraw/zinc/10/60/96/269106096.db2.gz QAJDADPNZYXWSQ-DYEKYZERSA-N 2 1 307.394 2.409 20 5 DEBDMP COc1c(O)ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000891935098 624670601 /nfs/dbraw/zinc/67/06/01/624670601.db2.gz NYZHBKGIIFMAJF-UHFFFAOYSA-N 2 1 323.393 2.083 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923328951 637112365 /nfs/dbraw/zinc/11/23/65/637112365.db2.gz NNOIRSGAXUSGLM-USXIJHARSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000923328951 637112366 /nfs/dbraw/zinc/11/23/66/637112366.db2.gz NNOIRSGAXUSGLM-USXIJHARSA-N 2 1 319.405 2.092 20 5 DEBDMP COc1c(O)ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000894806760 637218991 /nfs/dbraw/zinc/21/89/91/637218991.db2.gz KPXFFRMDAIHYPZ-UHFFFAOYSA-N 2 1 323.393 2.273 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584676 642188553 /nfs/dbraw/zinc/18/85/53/642188553.db2.gz OLZMPYXULCPEMV-RHSMWYFYSA-N 2 1 319.405 2.046 20 5 DEBDMP O=[N+]([O-])c1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000776584676 642188557 /nfs/dbraw/zinc/18/85/57/642188557.db2.gz OLZMPYXULCPEMV-RHSMWYFYSA-N 2 1 319.405 2.046 20 5 DEBDMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151865 647595206 /nfs/dbraw/zinc/59/52/06/647595206.db2.gz GRDBASGZAFHGIJ-YOEHRIQHSA-N 2 1 321.421 2.196 20 5 DEBDMP C[N@@H+](CCCCCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000873231296 689190379 /nfs/dbraw/zinc/19/03/79/689190379.db2.gz DCAGGINGDQLUJU-UHFFFAOYSA-N 2 1 323.393 2.317 20 5 DEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)C1 ZINC000877019760 689998921 /nfs/dbraw/zinc/99/89/21/689998921.db2.gz DJWMDKOBGRIASA-WLYUNCDWSA-N 2 1 321.425 2.205 20 5 DEBDMP CC(C)C[N@@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC[NH+](C)CC1 ZINC000879704045 690710630 /nfs/dbraw/zinc/71/06/30/690710630.db2.gz IWQCYELXISITMO-UHFFFAOYSA-N 2 1 323.441 2.091 20 5 DEBDMP O=[N+]([O-])c1cc(Cl)ccc1CC[NH2+][C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925630967 693312583 /nfs/dbraw/zinc/31/25/83/693312583.db2.gz VLOQMAGRYQCZEH-XNHOIOAFSA-N 2 1 321.808 2.377 20 5 DEBDMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173221525 793637982 /nfs/dbraw/zinc/63/79/82/793637982.db2.gz NRUQYEOMWHQLEY-CQSZACIVSA-N 2 1 321.421 2.226 20 5 DEBDMP C[NH+](C)/C=C/c1cc(NC2(C)CC[NH2+]CC2)ncc1[N+](=O)[O-] ZINC001157403287 798196859 /nfs/dbraw/zinc/19/68/59/798196859.db2.gz NVCCGMCHXCCLDF-RUDMXATFSA-N 2 1 305.382 2.076 20 5 DEBDMP CCN(c1cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn1)[C@H]1CCC[NH2+]C1 ZINC001158204737 798360082 /nfs/dbraw/zinc/36/00/82/798360082.db2.gz JNICPGWZDDPHFM-KGXGESDWSA-N 2 1 319.409 2.100 20 5 DEBDMP C[C@@H]1CC[C@@H](C[NH3+])N(c2cc(/C=C/[NH+](C)C)c([N+](=O)[O-])cn2)C1 ZINC001164072586 799502446 /nfs/dbraw/zinc/50/24/46/799502446.db2.gz AGTQTQLVMSTJMX-WDYNUWJLSA-N 2 1 319.409 2.086 20 5 DEBDMP CC1(C)C[N@@H+](Cc2ccccc2)C[C@H](COCC[N+](C)(C)C)O1 ZINC001224776207 802902339 /nfs/dbraw/zinc/90/23/39/802902339.db2.gz SRYQDNTZPVSAAU-GOSISDBHSA-N 2 1 321.485 2.389 20 5 DEBDMP CCC(CC)(C[NH3+])C[N@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001577050761 1066753434 /nfs/dbraw/zinc/75/34/34/1066753434.db2.gz CNRPKANQYTYGCX-CYBMUJFWSA-N 2 1 321.425 2.241 20 5 DEBDMP [NH3+]CCc1c[nH+]cn1C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254464920 1143127716 /nfs/dbraw/zinc/12/77/16/1143127716.db2.gz OOCLNLTVPASJPC-UHFFFAOYSA-N 2 1 315.377 2.134 20 5 DEBDMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000173405666 198210997 /nfs/dbraw/zinc/21/09/97/198210997.db2.gz UDJNMMOPYQEWQA-RHSMWYFYSA-N 2 1 321.421 2.482 20 5 DEBDMP Cc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290212445 404083296 /nfs/dbraw/zinc/08/32/96/404083296.db2.gz QSYHAKZCJRDCOR-UHFFFAOYSA-N 2 1 322.453 2.219 20 5 DEBDMP O=[N+]([O-])c1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338414 405325233 /nfs/dbraw/zinc/32/52/33/405325233.db2.gz XYFFOPRECPGUEO-GJZGRUSLSA-N 2 1 319.405 2.295 20 5 DEBDMP [NH3+]C[C@@H]([NH2+]CCOc1ccccc1[N+](=O)[O-])C1CCCCC1 ZINC000420360496 405331491 /nfs/dbraw/zinc/33/14/91/405331491.db2.gz HFIQCCCVGBXBAD-CQSZACIVSA-N 2 1 307.394 2.471 20 5 DEBDMP C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000923389263 637156415 /nfs/dbraw/zinc/15/64/15/637156415.db2.gz USLVYSWEYORPLG-DAXOMENPSA-N 2 1 307.394 2.078 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000905207801 643831330 /nfs/dbraw/zinc/83/13/30/643831330.db2.gz IUQCTCJNUVJLME-BRWVUGGUSA-N 2 1 303.406 2.153 20 5 DEBDMP O=[N+]([O-])CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000905207801 643831333 /nfs/dbraw/zinc/83/13/33/643831333.db2.gz IUQCTCJNUVJLME-BRWVUGGUSA-N 2 1 303.406 2.153 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000819279337 647625268 /nfs/dbraw/zinc/62/52/68/647625268.db2.gz ZFYGQRXZGKXWFW-PREGVCBESA-N 2 1 319.405 2.235 20 5 DEBDMP [NH3+]C[C@H]1C[N@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872151081 688937976 /nfs/dbraw/zinc/93/79/76/688937976.db2.gz ULTKUBRGCGENKQ-AAEUAGOBSA-N 2 1 317.311 2.206 20 5 DEBDMP [NH3+]C[C@H]1C[N@@H+](CCc2ccc([N+](=O)[O-])cc2)C[C@@H]1C(F)(F)F ZINC000872151081 688937979 /nfs/dbraw/zinc/93/79/79/688937979.db2.gz ULTKUBRGCGENKQ-AAEUAGOBSA-N 2 1 317.311 2.206 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N2CCC[C@@H]([NH+](C)C)C2)ncc1[N+](=O)[O-] ZINC001165035927 721895136 /nfs/dbraw/zinc/89/51/36/721895136.db2.gz PVIBSDMHEAETRU-RCQQVGEISA-N 2 1 319.409 2.053 20 5 DEBDMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000593735003 358133609 /nfs/dbraw/zinc/13/36/09/358133609.db2.gz TUILBUKCQQCLJD-BBRMVZONSA-N 2 1 305.378 2.034 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CCc1c[nH+]cn1C ZINC000598917948 359357790 /nfs/dbraw/zinc/35/77/90/359357790.db2.gz NDIOVNHHYGEFHK-UHFFFAOYSA-N 2 1 304.350 2.059 20 5 DEBDMP C[C@@H]1C[N@@H+](CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000602633705 360469362 /nfs/dbraw/zinc/46/93/62/360469362.db2.gz NYVLLVDBXYICCU-OAHLLOKOSA-N 2 1 321.421 2.228 20 5 DEBDMP Cc1ncc([N+](=O)[O-])n1CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603119683 360707913 /nfs/dbraw/zinc/70/79/13/360707913.db2.gz KPBIZVYMURBGKV-UHFFFAOYSA-N 2 1 323.441 2.298 20 5 DEBDMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173291 285111474 /nfs/dbraw/zinc/11/14/74/285111474.db2.gz CCXLFGQWGWZZPM-IOASZLSFSA-N 2 1 307.394 2.292 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262079576 145259794 /nfs/dbraw/zinc/25/97/94/145259794.db2.gz HAOUTEMFZXTNJH-CQDKDKBSSA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262079576 145259796 /nfs/dbraw/zinc/25/97/96/145259796.db2.gz HAOUTEMFZXTNJH-CQDKDKBSSA-N 2 1 305.378 2.163 20 5 DEBDMP CN(CC[N@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000177376352 402396241 /nfs/dbraw/zinc/39/62/41/402396241.db2.gz UEIDJHNXNDCCAR-UHFFFAOYSA-N 2 1 320.437 2.053 20 5 DEBDMP CN(CC[N@@H+](C)Cc1cccc([N+](=O)[O-])c1)C1CC[NH+](C)CC1 ZINC000177376352 402396244 /nfs/dbraw/zinc/39/62/44/402396244.db2.gz UEIDJHNXNDCCAR-UHFFFAOYSA-N 2 1 320.437 2.053 20 5 DEBDMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414835201 404744817 /nfs/dbraw/zinc/74/48/17/404744817.db2.gz HKAUTIZGWDFUJL-OCCSQVGLSA-N 2 1 322.409 2.275 20 5 DEBDMP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331098 405321918 /nfs/dbraw/zinc/32/19/18/405321918.db2.gz QPCUGOJONOOBLQ-ZFWWWQNUSA-N 2 1 319.405 2.343 20 5 DEBDMP O=[N+]([O-])c1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332246 405322500 /nfs/dbraw/zinc/32/25/00/405322500.db2.gz RRPGZOZAHDLAOO-CABCVRRESA-N 2 1 319.405 2.295 20 5 DEBDMP Cn1c[nH+]cc1CCC[N@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582614691 337114745 /nfs/dbraw/zinc/11/47/45/337114745.db2.gz IGXPOKQXVYAGPI-UHFFFAOYSA-N 2 1 302.378 2.435 20 5 DEBDMP Cn1c[nH+]cc1CCC[N@@H+](C)CCc1cccc([N+](=O)[O-])c1 ZINC000582614691 337114746 /nfs/dbraw/zinc/11/47/46/337114746.db2.gz IGXPOKQXVYAGPI-UHFFFAOYSA-N 2 1 302.378 2.435 20 5 DEBDMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841058032 650417100 /nfs/dbraw/zinc/41/71/00/650417100.db2.gz FRRVVNKJNNIRDF-CXAGYDPISA-N 2 1 318.421 2.151 20 5 DEBDMP CC(C)([NH3+])CC[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000903938800 643516975 /nfs/dbraw/zinc/51/69/75/643516975.db2.gz KTGLKQUXUXSUIV-UHFFFAOYSA-N 2 1 303.309 2.413 20 5 DEBDMP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000818967043 647551264 /nfs/dbraw/zinc/55/12/64/647551264.db2.gz QILFTQQNIVNODA-KRWDZBQOSA-N 2 1 319.405 2.092 20 5 DEBDMP C[C@@H]1C[N@H+](Cc2ccc(CN(C)CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000930861190 694256827 /nfs/dbraw/zinc/25/68/27/694256827.db2.gz AHVGXHXELBBKEM-GASCZTMLSA-N 2 1 321.421 2.004 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@]2(C)CCC[N@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337056 799064573 /nfs/dbraw/zinc/06/45/73/799064573.db2.gz KHONTEPCMQGQBA-YXMGTMDOSA-N 2 1 319.409 2.418 20 5 DEBDMP C[NH+](C)/C=C/c1cc(N[C@]2(C)CCC[N@@H+](C)C2)ncc1[N+](=O)[O-] ZINC001162337056 799064580 /nfs/dbraw/zinc/06/45/80/799064580.db2.gz KHONTEPCMQGQBA-YXMGTMDOSA-N 2 1 319.409 2.418 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246647151 1141021436 /nfs/dbraw/zinc/02/14/36/1141021436.db2.gz ZGYWTJBGKJXPQI-BHYGNILZSA-N 2 1 301.390 2.278 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246647152 1141022002 /nfs/dbraw/zinc/02/20/02/1141022002.db2.gz ZGYWTJBGKJXPQI-HYVNUMGLSA-N 2 1 301.390 2.278 20 5 DEBDMP C[N@@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC001337433209 1142752007 /nfs/dbraw/zinc/75/20/07/1142752007.db2.gz XKUOEHFYGTVXEX-HZUKXOBISA-N 2 1 312.373 2.317 20 5 DEBDMP C[N@H+]1C[C@@H]2CC[C@@H](Nc3cc[nH+]c4ccc([N+](=O)[O-])cc34)[C@H]2C1 ZINC001337433209 1142752016 /nfs/dbraw/zinc/75/20/16/1142752016.db2.gz XKUOEHFYGTVXEX-HZUKXOBISA-N 2 1 312.373 2.317 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000278341462 214100909 /nfs/dbraw/zinc/10/09/09/214100909.db2.gz XRAYJUWZPBSZPQ-WBVHZDCISA-N 2 1 319.405 2.019 20 5 DEBDMP O=[N+]([O-])c1cccc2c1CC[C@H]2NCCC[NH+]1CCC(O)CC1 ZINC000579128510 356927248 /nfs/dbraw/zinc/92/72/48/356927248.db2.gz DCGBYWZPXNUOAI-MRXNPFEDSA-N 2 1 319.405 2.019 20 5 DEBDMP O=[N+]([O-])c1ccccc1OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471228 357882511 /nfs/dbraw/zinc/88/25/11/357882511.db2.gz NTFCEQZMCDZKTR-UHFFFAOYSA-N 2 1 305.378 2.190 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262079583 145259918 /nfs/dbraw/zinc/25/99/18/145259918.db2.gz HAOUTEMFZXTNJH-GLQYFDAESA-N 2 1 305.378 2.163 20 5 DEBDMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262079583 145259920 /nfs/dbraw/zinc/25/99/20/145259920.db2.gz HAOUTEMFZXTNJH-GLQYFDAESA-N 2 1 305.378 2.163 20 5 DEBDMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342094234 404362223 /nfs/dbraw/zinc/36/22/23/404362223.db2.gz FCPFXOJZLLDNOA-DAXOMENPSA-N 2 1 305.378 2.033 20 5 DEBDMP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770535 404730039 /nfs/dbraw/zinc/73/00/39/404730039.db2.gz OZZAJVNWHCVHBV-OKILXGFUSA-N 2 1 319.405 2.425 20 5 DEBDMP C[NH2+]CCC[N@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415124866 404813297 /nfs/dbraw/zinc/81/32/97/404813297.db2.gz CUXAZUUOULVOMN-UHFFFAOYSA-N 2 1 317.393 2.037 20 5 DEBDMP C[NH2+]CCC[N@@H+](C)Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415124866 404813301 /nfs/dbraw/zinc/81/33/01/404813301.db2.gz CUXAZUUOULVOMN-UHFFFAOYSA-N 2 1 317.393 2.037 20 5 DEBDMP CCC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc([N+](=O)[O-])c1 ZINC000423504917 405830061 /nfs/dbraw/zinc/83/00/61/405830061.db2.gz GETWUIWKVOQLCR-CVEARBPZSA-N 2 1 307.394 2.404 20 5 DEBDMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000459722439 406019655 /nfs/dbraw/zinc/01/96/55/406019655.db2.gz BJNBVWCOSBPIPB-LBPRGKRZSA-N 2 1 323.393 2.131 20 5 DEBDMP O=[N+]([O-])c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000278341456 275038304 /nfs/dbraw/zinc/03/83/04/275038304.db2.gz XRAYJUWZPBSZPQ-NVXWUHKLSA-N 2 1 319.405 2.019 20 5 DEBDMP CC[NH+]1CCC([N@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000157498723 521560725 /nfs/dbraw/zinc/56/07/25/521560725.db2.gz VWWXLUMJHNTQTJ-UHFFFAOYSA-N 2 1 307.394 2.390 20 5 DEBDMP CC[NH+]1CCC([N@@H+](C)CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000157498723 521560734 /nfs/dbraw/zinc/56/07/34/521560734.db2.gz VWWXLUMJHNTQTJ-UHFFFAOYSA-N 2 1 307.394 2.390 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923365548 637137920 /nfs/dbraw/zinc/13/79/20/637137920.db2.gz WVVCDARIDWDUEW-USXIJHARSA-N 2 1 319.405 2.092 20 5 DEBDMP O=[N+]([O-])c1cccc([C@H](O)C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000923365548 637137923 /nfs/dbraw/zinc/13/79/23/637137923.db2.gz WVVCDARIDWDUEW-USXIJHARSA-N 2 1 319.405 2.092 20 5 DEBDMP COc1cc(C[N@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411237 643661886 /nfs/dbraw/zinc/66/18/86/643661886.db2.gz KFYTXYHGWZXHRH-VXGBXAGGSA-N 2 1 323.393 2.029 20 5 DEBDMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1 ZINC000818964943 647552019 /nfs/dbraw/zinc/55/20/19/647552019.db2.gz AOENZCSJBBFDFG-BLLLJJGKSA-N 2 1 318.377 2.059 20 5 DEBDMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984204 647557655 /nfs/dbraw/zinc/55/76/55/647557655.db2.gz ANRBDLOREQZVAU-PBHICJAKSA-N 2 1 321.421 2.338 20 5 DEBDMP CCCC[NH+]1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819043998 647571115 /nfs/dbraw/zinc/57/11/15/647571115.db2.gz XDHDPIQTEYQGRI-QGZVFWFLSA-N 2 1 321.421 2.482 20 5 DEBDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819100811 647582653 /nfs/dbraw/zinc/58/26/53/647582653.db2.gz IUIWTBOVKOXCRN-INIZCTEOSA-N 2 1 318.377 2.203 20 5 DEBDMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC000819100812 647583085 /nfs/dbraw/zinc/58/30/85/647583085.db2.gz IUIWTBOVKOXCRN-MRXNPFEDSA-N 2 1 318.377 2.203 20 5 DEBDMP CN(C(=O)C[N@@H+](C)CCCCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000872154884 688939815 /nfs/dbraw/zinc/93/98/15/688939815.db2.gz DFIXJFYBLSLBKE-UHFFFAOYSA-N 2 1 322.409 2.009 20 5 DEBDMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000877557825 690151528 /nfs/dbraw/zinc/15/15/28/690151528.db2.gz QKQSMLWCXFQJJK-ZDUSSCGKSA-N 2 1 321.421 2.481 20 5 DEBDMP C[C@@H]([NH2+]CCCCC[NH+]1CCNCC1)c1cccc([N+](=O)[O-])c1 ZINC000925848603 693352750 /nfs/dbraw/zinc/35/27/50/693352750.db2.gz IYYHZNSPJNXCRU-OAHLLOKOSA-N 2 1 320.437 2.321 20 5 DEBDMP C[C@@H]1CCCC[N@H+]1CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350028 1150398440 /nfs/dbraw/zinc/39/84/40/1150398440.db2.gz ATNISWFTRKBPCS-RHSMWYFYSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350028 1150398444 /nfs/dbraw/zinc/39/84/44/1150398444.db2.gz ATNISWFTRKBPCS-RHSMWYFYSA-N 2 1 321.421 2.482 20 5 DEBDMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001335350028 1150398450 /nfs/dbraw/zinc/39/84/50/1150398450.db2.gz ATNISWFTRKBPCS-RHSMWYFYSA-N 2 1 321.421 2.482 20 5 DEBDMP