smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+]C1(Cc2ccccc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996993 784996538 /nfs/dbraw/zinc/99/65/38/784996538.db2.gz APTASENCVAZTRB-IRXDYDNUSA-N 2 0 317.433 2.468 20 5 DEBDRP CC[N+](C)(C)Cc1ccccc1-n1nnc2ccc(C[NH3+])cc21 ZINC001170024019 786073439 /nfs/dbraw/zinc/07/34/39/786073439.db2.gz RXCATGGALNMOAQ-UHFFFAOYSA-N 2 0 310.425 2.476 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296608 786892258 /nfs/dbraw/zinc/89/22/58/786892258.db2.gz GIWSQFCOJRLZHX-ZIAGYGMSSA-N 2 0 321.421 2.466 20 5 DEBDRP [NH3+]CC1CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246550152 1140953454 /nfs/dbraw/zinc/95/34/54/1140953454.db2.gz MCWYAFVUFBSIBJ-UHFFFAOYSA-N 2 0 318.421 2.234 20 5 DEBDRP COc1ccc(C[C@@H](C)N2[C@@H](C)CC[C@H]2C[NH3+])c([N+](=O)[O-])c1 ZINC001246548129 1140953840 /nfs/dbraw/zinc/95/38/40/1140953840.db2.gz RCJIVAOATARMMB-SCRDCRAPSA-N 2 0 307.394 2.346 20 5 DEBDRP C[NH2+][C@@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001326037486 1148033813 /nfs/dbraw/zinc/03/38/13/1148033813.db2.gz LITDQXYKQQXQOL-ZDUSSCGKSA-N 2 0 306.410 2.151 20 5 DEBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319041 186176209 /nfs/dbraw/zinc/17/62/09/186176209.db2.gz MQNKXWDZVBRRSJ-HNNXBMFYSA-N 2 0 320.437 2.273 20 5 DEBDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173391521 198210412 /nfs/dbraw/zinc/21/04/12/198210412.db2.gz RQFPPAPAGCREFL-OAHLLOKOSA-N 2 0 320.437 2.273 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315374 358053137 /nfs/dbraw/zinc/05/31/37/358053137.db2.gz IZKROUMLSFMGHE-UXLLHSPISA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357078122 285164683 /nfs/dbraw/zinc/16/46/83/285164683.db2.gz BDAICAVDFRKVIN-OAHLLOKOSA-N 2 0 319.405 2.295 20 5 DEBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248183241 145149844 /nfs/dbraw/zinc/14/98/44/145149844.db2.gz WVRZMDCXBROBBG-PBHICJAKSA-N 2 0 321.421 2.482 20 5 DEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000565158441 292138464 /nfs/dbraw/zinc/13/84/64/292138464.db2.gz UNWBXQGPXTXDQA-WCQYABFASA-N 2 0 320.393 2.043 20 5 DEBDRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694070 146125537 /nfs/dbraw/zinc/12/55/37/146125537.db2.gz RRXVOQXPHZDLGU-ZJUUUORDSA-N 2 0 315.320 2.365 20 5 DEBDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000150990939 402009318 /nfs/dbraw/zinc/00/93/18/402009318.db2.gz HCDXLDVHEMFIKH-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158173 403250296 /nfs/dbraw/zinc/25/02/96/403250296.db2.gz PRUBWDDFHZOSLH-NEPJUHHUSA-N 2 0 304.394 2.312 20 5 DEBDRP COc1cc(C[NH2+]CCC[C@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414963870 404777022 /nfs/dbraw/zinc/77/70/22/404777022.db2.gz DGRYTLPWAQUXEC-ZDUSSCGKSA-N 2 0 323.393 2.234 20 5 DEBDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134299 404815919 /nfs/dbraw/zinc/81/59/19/404815919.db2.gz VXKOXPNRFOCGEW-DLBZAZTESA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321585 405318787 /nfs/dbraw/zinc/31/87/87/405318787.db2.gz CXTFXKZKVNQPPJ-HZPDHXFCSA-N 2 0 303.406 2.459 20 5 DEBDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420324107 405319113 /nfs/dbraw/zinc/31/91/13/405319113.db2.gz ZACMYVZRYDBIHV-ZDUSSCGKSA-N 2 0 320.393 2.127 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329818 405321384 /nfs/dbraw/zinc/32/13/84/405321384.db2.gz PBXISAQMICVOEH-JLZZUVOBSA-N 2 0 319.405 2.484 20 5 DEBDRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000425945430 405332302 /nfs/dbraw/zinc/33/23/02/405332302.db2.gz QUPABLWFMCITMQ-CHWSQXEVSA-N 2 0 322.409 2.099 20 5 DEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000425977550 405333427 /nfs/dbraw/zinc/33/34/27/405333427.db2.gz LPUZVOVGCAYTGL-GBNFQVFUSA-N 2 0 301.390 2.492 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423489786 405824358 /nfs/dbraw/zinc/82/43/58/405824358.db2.gz GUQPIVQNWQGJOP-DYEKYZERSA-N 2 0 320.393 2.029 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433144762 405878905 /nfs/dbraw/zinc/87/89/05/405878905.db2.gz NRLJQUHRKQHJOP-UHFFFAOYSA-N 2 0 320.393 2.045 20 5 DEBDRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000425945433 274224829 /nfs/dbraw/zinc/22/48/29/274224829.db2.gz QUPABLWFMCITMQ-STQMWFEESA-N 2 0 322.409 2.099 20 5 DEBDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398735 535592673 /nfs/dbraw/zinc/59/26/73/535592673.db2.gz UAOCXVMBEHDWSV-CABCVRRESA-N 2 0 323.441 2.282 20 5 DEBDRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064702 650419866 /nfs/dbraw/zinc/41/98/66/650419866.db2.gz UEZGQBXKOQHNRL-CXAGYDPISA-N 2 0 318.421 2.151 20 5 DEBDRP C[N@@H+]1C[C@@H]2CN(C/C=C\c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621470 640871463 /nfs/dbraw/zinc/87/14/63/640871463.db2.gz CGNUYATZCKPLOK-UJFJBFGSSA-N 2 0 301.390 2.492 20 5 DEBDRP O=[N+]([O-])CC[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000905097616 643799840 /nfs/dbraw/zinc/79/98/40/643799840.db2.gz OUSLGVXSDZTBNR-UHFFFAOYSA-N 2 0 311.813 2.418 20 5 DEBDRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000818968516 647552752 /nfs/dbraw/zinc/55/27/52/647552752.db2.gz CSQOTGLEWQVDSO-WMLDXEAASA-N 2 0 321.421 2.340 20 5 DEBDRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000925598970 693307447 /nfs/dbraw/zinc/30/74/47/693307447.db2.gz VKVLETQAWGMTNF-ZAQWFSBCSA-N 2 0 305.378 2.079 20 5 DEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001168988374 785006151 /nfs/dbraw/zinc/00/61/51/785006151.db2.gz RLQZNBUXOPSJOQ-DZGCQCFKSA-N 2 0 304.394 2.085 20 5 DEBDRP Cc1c[nH+]ccc1N([C@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053093 785022839 /nfs/dbraw/zinc/02/28/39/785022839.db2.gz HKGMHFZBGKDLSY-ZBFHGGJFSA-N 2 0 318.421 2.394 20 5 DEBDRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001576482551 1066620357 /nfs/dbraw/zinc/62/03/57/1066620357.db2.gz ZDZUWIYPUPBFMO-OAHLLOKOSA-N 2 0 307.394 2.341 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246206486 1140873383 /nfs/dbraw/zinc/87/33/83/1140873383.db2.gz QPNDBCXVIQSYSC-MRVWCRGKSA-N 2 0 307.394 2.394 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246642124 1141020276 /nfs/dbraw/zinc/02/02/76/1141020276.db2.gz ZGYWTJBGKJXPQI-USXIJHARSA-N 2 0 301.390 2.278 20 5 DEBDRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173313291 186175568 /nfs/dbraw/zinc/17/55/68/186175568.db2.gz XQTHNXLTHRHILX-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccc([N+](=O)[O-])cc2)o1 ZINC000600771726 359825232 /nfs/dbraw/zinc/82/52/32/359825232.db2.gz AQDYNJQEENJYNJ-UHFFFAOYSA-N 2 0 319.361 2.262 20 5 DEBDRP COc1cc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000347091398 146193120 /nfs/dbraw/zinc/19/31/20/146193120.db2.gz FHUKPLIWXCMJSC-LLVKDONJSA-N 2 0 323.393 2.171 20 5 DEBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000245468724 402463965 /nfs/dbraw/zinc/46/39/65/402463965.db2.gz UDJNMMOPYQEWQA-YOEHRIQHSA-N 2 0 321.421 2.482 20 5 DEBDRP CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672272 403155908 /nfs/dbraw/zinc/15/59/08/403155908.db2.gz VCKPCFCLERYHEI-PBHICJAKSA-N 2 0 321.421 2.292 20 5 DEBDRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332074702 403475794 /nfs/dbraw/zinc/47/57/94/403475794.db2.gz YIWWTBYVKXVABG-CABCVRRESA-N 2 0 321.425 2.206 20 5 DEBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779551 404732373 /nfs/dbraw/zinc/73/23/73/404732373.db2.gz KKNJHBDTIASNQY-CABCVRRESA-N 2 0 319.405 2.425 20 5 DEBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414840497 404746026 /nfs/dbraw/zinc/74/60/26/404746026.db2.gz XEEPIFFFRYEAIY-SNVBAGLBSA-N 2 0 315.320 2.285 20 5 DEBDRP C[C@H]1CC2(C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424287653 405057667 /nfs/dbraw/zinc/05/76/67/405057667.db2.gz JKPCKHCNNRHMIA-AWEZNQCLSA-N 2 0 319.405 2.438 20 5 DEBDRP O=[N+]([O-])c1ccc2oc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nc2c1 ZINC000420326625 405320538 /nfs/dbraw/zinc/32/05/38/405320538.db2.gz CMMDSWWOBCLEAF-TXEJJXNPSA-N 2 0 316.361 2.167 20 5 DEBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)N(C)C1CC1 ZINC000447563699 405417353 /nfs/dbraw/zinc/41/73/53/405417353.db2.gz RTDDDRDLDWKENP-YUELXQCFSA-N 2 0 321.425 2.347 20 5 DEBDRP [NH3+]C[C@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430959869 405548076 /nfs/dbraw/zinc/54/80/76/405548076.db2.gz FGELNNVXHFHFLF-GFCCVEGCSA-N 2 0 316.361 2.073 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000576338136 326286540 /nfs/dbraw/zinc/28/65/40/326286540.db2.gz QZAKVNSQLXVXDS-ZACQAIPSSA-N 2 0 319.405 2.484 20 5 DEBDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414720 637167791 /nfs/dbraw/zinc/16/77/91/637167791.db2.gz NIKWTBBROKPIAU-NVXWUHKLSA-N 2 0 321.421 2.325 20 5 DEBDRP Cc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1[N+](=O)[O-] ZINC000923447982 637183296 /nfs/dbraw/zinc/18/32/96/637183296.db2.gz YYYUHTMVJFLTFD-OAHLLOKOSA-N 2 0 319.405 2.233 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923500902 637217639 /nfs/dbraw/zinc/21/76/39/637217639.db2.gz ROTZEGKHUXADEP-OLZOCXBDSA-N 2 0 307.394 2.410 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1[N+](=O)[O-] ZINC000903757021 643455534 /nfs/dbraw/zinc/45/55/34/643455534.db2.gz AKKWBLCASXFQSM-YSVLISHTSA-N 2 0 319.405 2.322 20 5 DEBDRP CC[NH+]1CCN(CCC[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012741 689140683 /nfs/dbraw/zinc/14/06/83/689140683.db2.gz WUVYFPTUSFRJEE-UHFFFAOYSA-N 2 0 320.437 2.020 20 5 DEBDRP Cc1c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873107690 689159257 /nfs/dbraw/zinc/15/92/57/689159257.db2.gz XNYGCBUUPTYURC-AWEZNQCLSA-N 2 0 320.437 2.019 20 5 DEBDRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873271114 689199228 /nfs/dbraw/zinc/19/92/28/689199228.db2.gz DUIDVUXAAAKCDU-CFVMTHIKSA-N 2 0 321.425 2.253 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296293 786891704 /nfs/dbraw/zinc/89/17/04/786891704.db2.gz GIWSQFCOJRLZHX-KGLIPLIRSA-N 2 0 321.421 2.466 20 5 DEBDRP C[C@@H]1C[NH2+]CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162467608 799094754 /nfs/dbraw/zinc/09/47/54/799094754.db2.gz REXXFYSCEJXIDV-NEPJUHHUSA-N 2 0 304.394 2.246 20 5 DEBDRP C[NH+]1CCC(CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568872 1143254524 /nfs/dbraw/zinc/25/45/24/1143254524.db2.gz VLYJJWKJUJCLGF-INIZCTEOSA-N 2 0 303.406 2.384 20 5 DEBDRP C[C@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CN1CCOCC1 ZINC000581379986 357178484 /nfs/dbraw/zinc/17/84/84/357178484.db2.gz DEUGYACGANAHCX-CJNGLKHVSA-N 2 0 319.405 2.140 20 5 DEBDRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000592469623 357882454 /nfs/dbraw/zinc/88/24/54/357882454.db2.gz WZZCQUOKDJWTNZ-MELADBBJSA-N 2 0 305.378 2.081 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314688 358053088 /nfs/dbraw/zinc/05/30/88/358053088.db2.gz FNYVJKWNGVIQPB-BFYDXBDKSA-N 2 0 319.405 2.313 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155004374 291598877 /nfs/dbraw/zinc/59/88/77/291598877.db2.gz GASFAZRFTOPSFV-LSDHHAIUSA-N 2 0 320.437 2.190 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331480 296240792 /nfs/dbraw/zinc/24/07/92/296240792.db2.gz QVUGKRUESJEDBP-KBPBESRZSA-N 2 0 319.405 2.343 20 5 DEBDRP C[C@@]1(C[NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000261695810 145217562 /nfs/dbraw/zinc/21/75/62/145217562.db2.gz KZZCCCWLPBFXDN-AWEZNQCLSA-N 2 0 315.320 2.367 20 5 DEBDRP Cc1nc(N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1[N+](=O)[O-] ZINC000150999486 402010143 /nfs/dbraw/zinc/01/01/43/402010143.db2.gz LPTFMNZUQCPBMD-UHFFFAOYSA-N 2 0 323.441 2.008 20 5 DEBDRP CC(C)c1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000414778445 404732182 /nfs/dbraw/zinc/73/21/82/404732182.db2.gz IDMHXOHURXDLRD-UHFFFAOYSA-N 2 0 320.437 2.103 20 5 DEBDRP COc1cc(C[NH2+][C@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000415008662 404787312 /nfs/dbraw/zinc/78/73/12/404787312.db2.gz DFGANFYPWMVFIX-LLVKDONJSA-N 2 0 311.382 2.219 20 5 DEBDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430600490 405464743 /nfs/dbraw/zinc/46/47/43/405464743.db2.gz SAVXZIKDEKUNRE-HNNXBMFYSA-N 2 0 322.409 2.229 20 5 DEBDRP CC(C)c1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415136209 528091972 /nfs/dbraw/zinc/09/19/72/528091972.db2.gz CGNKJBDZQHGJBW-UHFFFAOYSA-N 2 0 307.394 2.004 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353848 650955659 /nfs/dbraw/zinc/95/56/59/650955659.db2.gz MUQVSAVMTOELHQ-UHFFFAOYSA-N 2 0 320.393 2.043 20 5 DEBDRP C[C@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968970 647552825 /nfs/dbraw/zinc/55/28/25/647552825.db2.gz HZHPRYXJELDLPD-PBHICJAKSA-N 2 0 321.421 2.340 20 5 DEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000872228799 688958136 /nfs/dbraw/zinc/95/81/36/688958136.db2.gz KRUKOZDFYNRQDW-ARWYELJZSA-N 2 0 321.421 2.481 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873220241 689186883 /nfs/dbraw/zinc/18/68/83/689186883.db2.gz HQQCEDWGMZLGGR-GFCCVEGCSA-N 2 0 307.394 2.471 20 5 DEBDRP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873268481 689198834 /nfs/dbraw/zinc/19/88/34/689198834.db2.gz DUIDVUXAAAKCDU-SNPRPXQTSA-N 2 0 321.425 2.253 20 5 DEBDRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000873288961 689203257 /nfs/dbraw/zinc/20/32/57/689203257.db2.gz DFECEGSXBDASQN-XJKSGUPXSA-N 2 0 319.405 2.404 20 5 DEBDRP CCC1([NH+](C)C)CCN(C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879285616 690610303 /nfs/dbraw/zinc/61/03/03/690610303.db2.gz BUEUHILMMOKFGH-INIZCTEOSA-N 2 0 321.421 2.434 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000886841464 692207538 /nfs/dbraw/zinc/20/75/38/692207538.db2.gz LZUBXXFQULEEHM-AWEZNQCLSA-N 2 0 304.394 2.201 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000886869643 692216185 /nfs/dbraw/zinc/21/61/85/692216185.db2.gz DYUVJMGKZVOOKO-QGZVFWFLSA-N 2 0 319.405 2.439 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000925803544 693344572 /nfs/dbraw/zinc/34/45/72/693344572.db2.gz QPMXEGPDHZQBQI-KBXIAJHMSA-N 2 0 321.425 2.110 20 5 DEBDRP Cc1ccc2c(ccnc2NC(=[NH2+])NCCCC[NH3+])c1[N+](=O)[O-] ZINC001167878570 778742632 /nfs/dbraw/zinc/74/26/32/778742632.db2.gz UHQVYOPONPMREX-UHFFFAOYSA-N 2 0 316.365 2.127 20 5 DEBDRP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996991 784996858 /nfs/dbraw/zinc/99/68/58/784996858.db2.gz APTASENCVAZTRB-IAGOWNOFSA-N 2 0 317.433 2.468 20 5 DEBDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580267 1143264137 /nfs/dbraw/zinc/26/41/37/1143264137.db2.gz BTHUYNZUXRQHPU-XJKSGUPXSA-N 2 0 303.406 2.384 20 5 DEBDRP C[N@@H+]1CC[C@]2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608215 1143279829 /nfs/dbraw/zinc/27/98/29/1143279829.db2.gz PRGIIGPJQJXRQN-IRXDYDNUSA-N 2 0 301.390 2.090 20 5 DEBDRP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152469654 186076466 /nfs/dbraw/zinc/07/64/66/186076466.db2.gz RWDSEDXOWSZDOV-AWEZNQCLSA-N 2 0 307.394 2.247 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957321 354391566 /nfs/dbraw/zinc/39/15/66/354391566.db2.gz SCUBLNIKUVYFIW-UHFFFAOYSA-N 2 0 319.405 2.139 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)c1 ZINC000592471340 357882244 /nfs/dbraw/zinc/88/22/44/357882244.db2.gz WZLASPZSDQKVTE-UHFFFAOYSA-N 2 0 305.378 2.190 20 5 DEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)n1 ZINC000593322500 358054690 /nfs/dbraw/zinc/05/46/90/358054690.db2.gz NTZLPJHGZIOYHM-CABCVRRESA-N 2 0 321.425 2.254 20 5 DEBDRP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648765 533342984 /nfs/dbraw/zinc/34/29/84/533342984.db2.gz YQOZNGFLQTXMHH-NDNKKMJESA-N 2 0 304.394 2.453 20 5 DEBDRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694067 146126127 /nfs/dbraw/zinc/12/61/27/146126127.db2.gz RRXVOQXPHZDLGU-NXEZZACHSA-N 2 0 315.320 2.365 20 5 DEBDRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261884034 402718710 /nfs/dbraw/zinc/71/87/10/402718710.db2.gz MXVIVZKSEUUPOD-STQMWFEESA-N 2 0 312.373 2.497 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414815308 404741196 /nfs/dbraw/zinc/74/11/96/404741196.db2.gz XDECVYOWZCKMIU-GFCCVEGCSA-N 2 0 322.409 2.419 20 5 DEBDRP COc1cc(C[NH2+]CCC[C@@H]2CCC[NH2+]2)c([N+](=O)[O-])cc1OC ZINC000414963869 404777373 /nfs/dbraw/zinc/77/73/73/404777373.db2.gz DGRYTLPWAQUXEC-CYBMUJFWSA-N 2 0 323.393 2.234 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415039830 404793489 /nfs/dbraw/zinc/79/34/89/404793489.db2.gz OHIKXNQOIONFBL-BZPMIXESSA-N 2 0 320.393 2.029 20 5 DEBDRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000353529600 404857774 /nfs/dbraw/zinc/85/77/74/404857774.db2.gz JHODJXMNNJYFBY-UHFFFAOYSA-N 2 0 307.394 2.137 20 5 DEBDRP CCN(CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447544760 405417348 /nfs/dbraw/zinc/41/73/48/405417348.db2.gz PQLNZMVTCHHQBF-CABCVRRESA-N 2 0 321.425 2.349 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288853 405750140 /nfs/dbraw/zinc/75/01/40/405750140.db2.gz VKRQGYKFHUKPKO-QWHCGFSZSA-N 2 0 309.414 2.382 20 5 DEBDRP COc1cc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000459722436 406019314 /nfs/dbraw/zinc/01/93/14/406019314.db2.gz BJNBVWCOSBPIPB-GFCCVEGCSA-N 2 0 323.393 2.131 20 5 DEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321674 267473075 /nfs/dbraw/zinc/47/30/75/267473075.db2.gz TXQHAYRZGDXSGL-LSDHHAIUSA-N 2 0 320.437 2.271 20 5 DEBDRP CC[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063219 276637941 /nfs/dbraw/zinc/63/79/41/276637941.db2.gz HECCWZXBZDTXTK-YOEHRIQHSA-N 2 0 320.437 2.271 20 5 DEBDRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332074705 277026589 /nfs/dbraw/zinc/02/65/89/277026589.db2.gz YIWWTBYVKXVABG-GJZGRUSLSA-N 2 0 321.425 2.206 20 5 DEBDRP [NH3+]C1CCC([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423234831 295212562 /nfs/dbraw/zinc/21/25/62/295212562.db2.gz QNCMSBZOLBSCRH-CLRIEMFWSA-N 2 0 307.398 2.135 20 5 DEBDRP C[C@H](CC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH+](C)C ZINC000895292294 637895865 /nfs/dbraw/zinc/89/58/65/637895865.db2.gz AXVXLDLNFHDVFB-QWHCGFSZSA-N 2 0 322.409 2.242 20 5 DEBDRP C[C@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000895296809 637901109 /nfs/dbraw/zinc/90/11/09/637901109.db2.gz QQYBLSHSPVAAMA-CQSZACIVSA-N 2 0 320.437 2.493 20 5 DEBDRP C[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843343621 650953333 /nfs/dbraw/zinc/95/33/33/650953333.db2.gz BDDGBSXFONNTED-NSHDSACASA-N 2 0 300.362 2.487 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353986 650955734 /nfs/dbraw/zinc/95/57/34/650955734.db2.gz PAKWRPMDCYZYIU-UHFFFAOYSA-N 2 0 320.393 2.043 20 5 DEBDRP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cccc1[N+](=O)[O-] ZINC000873048548 689148659 /nfs/dbraw/zinc/14/86/59/689148659.db2.gz DFQAJJGIKJKBIH-MRXNPFEDSA-N 2 0 321.421 2.230 20 5 DEBDRP CCCC[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876976729 689988109 /nfs/dbraw/zinc/98/81/09/689988109.db2.gz RQGWFQWRRJARAT-UHFFFAOYSA-N 2 0 321.425 2.349 20 5 DEBDRP C[NH+](C)C1(C)CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877711485 690199860 /nfs/dbraw/zinc/19/98/60/690199860.db2.gz LLZKVFYVUPXRAL-UHFFFAOYSA-N 2 0 321.425 2.347 20 5 DEBDRP [NH3+]CCc1cn(-c2cc(Cl)ncc2[N+](=O)[O-])c2cc[nH+]cc12 ZINC001160945818 798767242 /nfs/dbraw/zinc/76/72/42/798767242.db2.gz NNSBJDZAQWBTKA-UHFFFAOYSA-N 2 0 317.736 2.483 20 5 DEBDRP [NH3+]CCc1cn(-c2ccc3[nH]cc([N+](=O)[O-])c3n2)c2cc[nH+]cc12 ZINC001160949966 798769088 /nfs/dbraw/zinc/76/90/88/798769088.db2.gz HQLDDACDNXEUJD-UHFFFAOYSA-N 2 0 322.328 2.311 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001246475292 1140915335 /nfs/dbraw/zinc/91/53/35/1140915335.db2.gz CWJJGVCRDIWNCQ-DFBGVHRSSA-N 2 0 307.394 2.394 20 5 DEBDRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552865 1140959187 /nfs/dbraw/zinc/95/91/87/1140959187.db2.gz WDCOBCOSBGQWQI-JKSUJKDBSA-N 2 0 307.369 2.215 20 5 DEBDRP C[NH+]1CCC2(C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254606891 1143279013 /nfs/dbraw/zinc/27/90/13/1143279013.db2.gz JEFVXYNWDHNKTM-INIZCTEOSA-N 2 0 301.390 2.090 20 5 DEBDRP C[NH+](C)CCOCC[NH2+][C@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433083635 282108759 /nfs/dbraw/zinc/10/87/59/282108759.db2.gz PYLYCNXSUZOPLA-INIZCTEOSA-N 2 0 321.421 2.485 20 5 DEBDRP Cc1c(NC(=O)CC[NH+]2CCC(C)([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000592485180 357885421 /nfs/dbraw/zinc/88/54/21/357885421.db2.gz QIILWJVJRKWSDB-UHFFFAOYSA-N 2 0 320.393 2.045 20 5 DEBDRP CC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268970518 207132495 /nfs/dbraw/zinc/13/24/95/207132495.db2.gz HZZURWPKXASKAE-HNNXBMFYSA-N 2 0 307.394 2.092 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127554648 401739382 /nfs/dbraw/zinc/73/93/82/401739382.db2.gz UGHJSIFYCWLCPS-LSDHHAIUSA-N 2 0 320.437 2.190 20 5 DEBDRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1ccc([N+](=O)[O-])cc1 ZINC000371295550 404455798 /nfs/dbraw/zinc/45/57/98/404455798.db2.gz SIRSWVNJJMBNEU-IKGGRYGDSA-N 2 0 319.405 2.278 20 5 DEBDRP Cc1c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000420324171 405319569 /nfs/dbraw/zinc/31/95/69/405319569.db2.gz GVWLALQEYRYBDA-HNNXBMFYSA-N 2 0 319.405 2.091 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430593635 405463667 /nfs/dbraw/zinc/46/36/67/405463667.db2.gz TVRNPMCLUFAGLD-UHFFFAOYSA-N 2 0 322.409 2.149 20 5 DEBDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117971 228634542 /nfs/dbraw/zinc/63/45/42/228634542.db2.gz DMIBAXKNYCCBBI-RDJZCZTQSA-N 2 0 319.405 2.313 20 5 DEBDRP C[NH+](C)CCOCC[NH2+][C@@H]1CC(C)(C)c2ccc([N+](=O)[O-])cc21 ZINC000433083636 276762840 /nfs/dbraw/zinc/76/28/40/276762840.db2.gz PYLYCNXSUZOPLA-MRXNPFEDSA-N 2 0 321.421 2.485 20 5 DEBDRP CC(C)[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580062440 332921911 /nfs/dbraw/zinc/92/19/11/332921911.db2.gz AVYWOIGQCOYFSR-CYBMUJFWSA-N 2 0 322.409 2.290 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000127498364 525921512 /nfs/dbraw/zinc/92/15/12/525921512.db2.gz FSJWYXGRCPKNFP-CABCVRRESA-N 2 0 320.437 2.190 20 5 DEBDRP CC1(C)[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925598694 625436173 /nfs/dbraw/zinc/43/61/73/625436173.db2.gz SSRLKQOMKMYAFN-OWCLPIDISA-N 2 0 319.405 2.340 20 5 DEBDRP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923309350 637109507 /nfs/dbraw/zinc/10/95/07/637109507.db2.gz KCYKGZIDUHQJPS-INIZCTEOSA-N 2 0 319.405 2.184 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923500904 637217333 /nfs/dbraw/zinc/21/73/33/637217333.db2.gz ROTZEGKHUXADEP-STQMWFEESA-N 2 0 307.394 2.410 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984207 647557953 /nfs/dbraw/zinc/55/79/53/647557953.db2.gz ANRBDLOREQZVAU-YOEHRIQHSA-N 2 0 321.421 2.338 20 5 DEBDRP C[C@@H](CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000819227173 647612078 /nfs/dbraw/zinc/61/20/78/647612078.db2.gz BGJLQEZTJXUSAG-WMLDXEAASA-N 2 0 321.421 2.482 20 5 DEBDRP C[C@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C[NH+]1CCCCC1 ZINC000876949492 689980920 /nfs/dbraw/zinc/98/09/20/689980920.db2.gz WYNGPKFTAVVQLB-WLYUNCDWSA-N 2 0 321.425 2.206 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc([N+](=O)[O-])c2ccccc12 ZINC001167881080 778744526 /nfs/dbraw/zinc/74/45/26/778744526.db2.gz DACNALSYLQHFNO-UHFFFAOYSA-N 2 0 301.350 2.423 20 5 DEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034239 785011959 /nfs/dbraw/zinc/01/19/59/785011959.db2.gz GHQKQQVGWLEGNP-BBRMVZONSA-N 2 0 313.417 2.330 20 5 DEBDRP COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@@H]([NH3+])CCC[NH3+] ZINC001170900504 789644609 /nfs/dbraw/zinc/64/46/09/789644609.db2.gz LXZJNBPDBNXNBY-SNVBAGLBSA-N 2 0 302.762 2.001 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100282 1140860852 /nfs/dbraw/zinc/86/08/52/1140860852.db2.gz ODBZHFXDLNQVAQ-RDBSUJKOSA-N 2 0 321.421 2.370 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100279 1140861076 /nfs/dbraw/zinc/86/10/76/1140861076.db2.gz ODBZHFXDLNQVAQ-IHRRRGAJSA-N 2 0 321.421 2.370 20 5 DEBDRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601432 1143273775 /nfs/dbraw/zinc/27/37/75/1143273775.db2.gz ZXTJEYDVQFDERC-KRWDZBQOSA-N 2 0 303.406 2.336 20 5 DEBDRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438274 357877214 /nfs/dbraw/zinc/87/72/14/357877214.db2.gz IFEJRBAZMANVCB-NWDGAFQWSA-N 2 0 317.393 2.211 20 5 DEBDRP [NH3+]C1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648240 358732048 /nfs/dbraw/zinc/73/20/48/358732048.db2.gz MXZWERZSNWKPSR-STQMWFEESA-N 2 0 307.398 2.136 20 5 DEBDRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000443068800 238103174 /nfs/dbraw/zinc/10/31/74/238103174.db2.gz IKXFYZRXKFEXAX-NSHDSACASA-N 2 0 304.350 2.297 20 5 DEBDRP Cc1c(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072030 291543320 /nfs/dbraw/zinc/54/33/20/291543320.db2.gz IQOYPSLKQSFHNY-HRCADAONSA-N 2 0 319.405 2.150 20 5 DEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000269642177 403152590 /nfs/dbraw/zinc/15/25/90/403152590.db2.gz JRHLIGLHAMOPHC-HNNXBMFYSA-N 2 0 316.361 2.231 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781570 404733030 /nfs/dbraw/zinc/73/30/30/404733030.db2.gz NFFCWUQOIIGTSB-OAHLLOKOSA-N 2 0 319.405 2.091 20 5 DEBDRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420306230 405312919 /nfs/dbraw/zinc/31/29/19/405312919.db2.gz ACDLYBRXPCDUAB-CQSZACIVSA-N 2 0 320.393 2.127 20 5 DEBDRP C[C@H](C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1)C[NH+](C)C ZINC000425945431 405332259 /nfs/dbraw/zinc/33/22/59/405332259.db2.gz QUPABLWFMCITMQ-OLZOCXBDSA-N 2 0 322.409 2.099 20 5 DEBDRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819186271 647603624 /nfs/dbraw/zinc/60/36/24/647603624.db2.gz XRFGJXCEGWVQEJ-PGEKIEPBSA-N 2 0 321.421 2.338 20 5 DEBDRP Cc1c(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cccc1[N+](=O)[O-] ZINC000873044107 689147507 /nfs/dbraw/zinc/14/75/07/689147507.db2.gz CLEYMDKKYSRQDL-UHFFFAOYSA-N 2 0 320.437 2.020 20 5 DEBDRP Cc1c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cccc1[N+](=O)[O-] ZINC000873121298 689162178 /nfs/dbraw/zinc/16/21/78/689162178.db2.gz FATCDMGVIQHCKB-UHFFFAOYSA-N 2 0 320.437 2.019 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000886870440 692216163 /nfs/dbraw/zinc/21/61/63/692216163.db2.gz YCQICHIMRUZQFG-KRWDZBQOSA-N 2 0 319.405 2.439 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC001335398317 1150407481 /nfs/dbraw/zinc/40/74/81/1150407481.db2.gz SQOSOFLUCFPCEZ-GVDBMIGSSA-N 2 0 319.405 2.235 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1F ZINC001173182575 793622534 /nfs/dbraw/zinc/62/25/34/793622534.db2.gz HJTOYFYMYUBTNP-ADEWGFFLSA-N 2 0 311.357 2.143 20 5 DEBDRP C[N@@H+]1CCC[C@H](CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001165277990 799694527 /nfs/dbraw/zinc/69/45/27/799694527.db2.gz CFUDZRZONPDAHA-GFCCVEGCSA-N 2 0 304.394 2.342 20 5 DEBDRP CC[NH+]1CCC(CN(CC[NH3+])c2ccccc2[N+](=O)[O-])CC1 ZINC001659141499 1080231106 /nfs/dbraw/zinc/23/11/06/1080231106.db2.gz BEVIZIZSAPAUGZ-UHFFFAOYSA-N 2 0 306.410 2.092 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246121905 1140863193 /nfs/dbraw/zinc/86/31/93/1140863193.db2.gz VHLPYHJJPCHWET-VNHYZAJKSA-N 2 0 321.421 2.370 20 5 DEBDRP [NH3+]C[C@@]1(F)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552864 1140957994 /nfs/dbraw/zinc/95/79/94/1140957994.db2.gz WDCOBCOSBGQWQI-HZPDHXFCSA-N 2 0 307.369 2.215 20 5 DEBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580263 1143263604 /nfs/dbraw/zinc/26/36/04/1143263604.db2.gz BTHUYNZUXRQHPU-CJNGLKHVSA-N 2 0 303.406 2.384 20 5 DEBDRP C[C@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CN1CCOCC1 ZINC000581379987 357177939 /nfs/dbraw/zinc/17/79/39/357177939.db2.gz DEUGYACGANAHCX-CZUORRHYSA-N 2 0 319.405 2.140 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000592469631 357882875 /nfs/dbraw/zinc/88/28/75/357882875.db2.gz XKZBNISXYMIOAJ-MBNYWOFBSA-N 2 0 305.378 2.081 20 5 DEBDRP Cc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1[N+](=O)[O-] ZINC000282464386 217015756 /nfs/dbraw/zinc/01/57/56/217015756.db2.gz UFDJHXXUXXFAPW-UHFFFAOYSA-N 2 0 320.437 2.019 20 5 DEBDRP COCCN1CCC([NH2+][C@@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000564349215 292093077 /nfs/dbraw/zinc/09/30/77/292093077.db2.gz KVQWJYRGAHDFLC-MRXNPFEDSA-N 2 0 319.405 2.283 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155004679 402241149 /nfs/dbraw/zinc/24/11/49/402241149.db2.gz GASFAZRFTOPSFV-CABCVRRESA-N 2 0 320.437 2.190 20 5 DEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccccc1[N+](=O)[O-] ZINC000176820059 402340605 /nfs/dbraw/zinc/34/06/05/402340605.db2.gz HAKBVADAWQNYMS-UHFFFAOYSA-N 2 0 308.426 2.305 20 5 DEBDRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415023498 404789560 /nfs/dbraw/zinc/78/95/60/404789560.db2.gz MYSBWVVEZMATBA-NEPJUHHUSA-N 2 0 308.382 2.029 20 5 DEBDRP COc1cc(C[NH2+]C2CCC([NH+](C)C)CC2)c([N+](=O)[O-])cc1O ZINC000421373314 405478838 /nfs/dbraw/zinc/47/88/38/405478838.db2.gz NMMFLAOPTIRNIB-UHFFFAOYSA-N 2 0 323.393 2.271 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000567910898 406158625 /nfs/dbraw/zinc/15/86/25/406158625.db2.gz JFANWQPGOWIHRN-STQMWFEESA-N 2 0 320.393 2.043 20 5 DEBDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000121026569 287035463 /nfs/dbraw/zinc/03/54/63/287035463.db2.gz GPKUODFCKXWIJE-LSDHHAIUSA-N 2 0 320.437 2.129 20 5 DEBDRP Cc1cc(NCC2([NH+](C)C)CC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000397796406 269107220 /nfs/dbraw/zinc/10/72/20/269107220.db2.gz GHOBWEJKHZDWQS-UHFFFAOYSA-N 2 0 300.362 2.379 20 5 DEBDRP C[C@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000121026420 278208893 /nfs/dbraw/zinc/20/88/93/278208893.db2.gz GPKUODFCKXWIJE-CABCVRRESA-N 2 0 320.437 2.129 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423431608 298392909 /nfs/dbraw/zinc/39/29/09/298392909.db2.gz LYDOGHWPZSHYQY-RDBSUJKOSA-N 2 0 309.414 2.382 20 5 DEBDRP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423234834 303362111 /nfs/dbraw/zinc/36/21/11/303362111.db2.gz QNCMSBZOLBSCRH-PQAZSJQKSA-N 2 0 307.398 2.135 20 5 DEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000923364789 637138391 /nfs/dbraw/zinc/13/83/91/637138391.db2.gz OJXWWFLLJDBJLW-IRXDYDNUSA-N 2 0 319.405 2.092 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841032968 650409609 /nfs/dbraw/zinc/40/96/09/650409609.db2.gz KSFZEARKCGCDDS-CQSZACIVSA-N 2 0 318.421 2.153 20 5 DEBDRP C[C@H](CCC[NH3+])[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841079581 650424779 /nfs/dbraw/zinc/42/47/79/650424779.db2.gz JWWQOYRKCIJGCN-CYBMUJFWSA-N 2 0 306.410 2.281 20 5 DEBDRP C[NH+](C)CCCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765448092 640779962 /nfs/dbraw/zinc/77/99/62/640779962.db2.gz YFBRIMVQCJGOEF-UHFFFAOYSA-N 2 0 320.437 2.495 20 5 DEBDRP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000904405627 643659782 /nfs/dbraw/zinc/65/97/82/643659782.db2.gz LMLPBWXIPRFKQI-SNVBAGLBSA-N 2 0 315.320 2.367 20 5 DEBDRP COc1ccc(OCC[N@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])c1 ZINC000843354671 650955309 /nfs/dbraw/zinc/95/53/09/650955309.db2.gz BLKXFKNDJHDTHB-UHFFFAOYSA-N 2 0 323.393 2.184 20 5 DEBDRP Cc1nn(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000872744700 689081652 /nfs/dbraw/zinc/08/16/52/689081652.db2.gz XIDQOUHRMLZFTH-UHFFFAOYSA-N 2 0 323.441 2.357 20 5 DEBDRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873268483 689198823 /nfs/dbraw/zinc/19/88/23/689198823.db2.gz DUIDVUXAAAKCDU-YUELXQCFSA-N 2 0 321.425 2.253 20 5 DEBDRP CC(C)C[N@H+](CCn1ccc([N+](=O)[O-])n1)CC1CC[NH+](C)CC1 ZINC000879704315 690711065 /nfs/dbraw/zinc/71/10/65/690711065.db2.gz OGJPMBBUARAYAK-UHFFFAOYSA-N 2 0 323.441 2.091 20 5 DEBDRP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000925812229 693345802 /nfs/dbraw/zinc/34/58/02/693345802.db2.gz WBAGKWMRGQVQDA-INIZCTEOSA-N 2 0 306.410 2.059 20 5 DEBDRP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925842026 693351548 /nfs/dbraw/zinc/35/15/48/693351548.db2.gz WPFDTGFVLZOXPR-HFBAOOFYSA-N 2 0 304.394 2.360 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)N(CC[NH3+])C(C)C)c1F ZINC001173178944 793620045 /nfs/dbraw/zinc/62/00/45/793620045.db2.gz NOZZMAJIWKJSSS-LLVKDONJSA-N 2 0 313.373 2.343 20 5 DEBDRP C[NH+]1CCC(CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254568873 1143253077 /nfs/dbraw/zinc/25/30/77/1143253077.db2.gz VLYJJWKJUJCLGF-MRXNPFEDSA-N 2 0 303.406 2.384 20 5 DEBDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254576999 1143261407 /nfs/dbraw/zinc/26/14/07/1143261407.db2.gz BFJZADWNYFPTJH-JONQDZQNSA-N 2 0 301.390 2.277 20 5 DEBDRP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442786220 529925866 /nfs/dbraw/zinc/92/58/66/529925866.db2.gz WZVGOUHMILIDJP-NNQSOWQGSA-N 2 0 305.378 2.188 20 5 DEBDRP O=[N+]([O-])c1cccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051958542 354391543 /nfs/dbraw/zinc/39/15/43/354391543.db2.gz IQFWHZBVIKXMSX-UHFFFAOYSA-N 2 0 319.405 2.139 20 5 DEBDRP C[C@@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000089580925 355536826 /nfs/dbraw/zinc/53/68/26/355536826.db2.gz LTRRQFLONPGUHO-CYBMUJFWSA-N 2 0 307.394 2.294 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314264 358052546 /nfs/dbraw/zinc/05/25/46/358052546.db2.gz BLWYLHQEZTZTAC-UXLLHSPISA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315370 358053399 /nfs/dbraw/zinc/05/33/99/358053399.db2.gz IZKROUMLSFMGHE-BFYDXBDKSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648237 358732307 /nfs/dbraw/zinc/73/23/07/358732307.db2.gz MXZWERZSNWKPSR-CHWSQXEVSA-N 2 0 307.398 2.136 20 5 DEBDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000531941014 284631699 /nfs/dbraw/zinc/63/16/99/284631699.db2.gz BSKSIDDQBVEGOY-HNNXBMFYSA-N 2 0 320.437 2.273 20 5 DEBDRP CCC[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268987496 207145608 /nfs/dbraw/zinc/14/56/08/207145608.db2.gz LTIVYVCCDNMOIN-INIZCTEOSA-N 2 0 321.421 2.482 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[NH2+]C2CC2)n1 ZINC000423547373 285168512 /nfs/dbraw/zinc/16/85/12/285168512.db2.gz GBAKSJUHRGEIQT-ZIAGYGMSSA-N 2 0 307.398 2.007 20 5 DEBDRP CC[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151856624 402060984 /nfs/dbraw/zinc/06/09/84/402060984.db2.gz DVGFFYZAIBHXAG-QGZVFWFLSA-N 2 0 321.421 2.340 20 5 DEBDRP C[C@H](CCN1CCOCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124210136 402168780 /nfs/dbraw/zinc/16/87/80/402168780.db2.gz QGSSQZOUMZQCNA-CSPWOOARSA-N 2 0 319.405 2.308 20 5 DEBDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645892 403153320 /nfs/dbraw/zinc/15/33/20/403153320.db2.gz KXYQLLTXMFQMRC-KRWDZBQOSA-N 2 0 321.421 2.292 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000342100372 404367753 /nfs/dbraw/zinc/36/77/53/404367753.db2.gz JZSBAGHDLFVLDV-MELADBBJSA-N 2 0 305.378 2.033 20 5 DEBDRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678434 404706968 /nfs/dbraw/zinc/70/69/68/404706968.db2.gz XWSNPHNFPXXUAD-HUUCEWRRSA-N 2 0 318.421 2.105 20 5 DEBDRP COc1cc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000755 404785738 /nfs/dbraw/zinc/78/57/38/404785738.db2.gz UCJOPVXEZUWNKR-YPMHNXCESA-N 2 0 323.393 2.219 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338416 405325062 /nfs/dbraw/zinc/32/50/62/405325062.db2.gz XYFFOPRECPGUEO-HUUCEWRRSA-N 2 0 319.405 2.295 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344230 405327283 /nfs/dbraw/zinc/32/72/83/405327283.db2.gz SEVIPROSHNBCKB-KGLIPLIRSA-N 2 0 319.405 2.425 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000420346147 405328075 /nfs/dbraw/zinc/32/80/75/405328075.db2.gz XNLZBQJEWWTFQQ-QGZVFWFLSA-N 2 0 319.405 2.438 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455009 637185548 /nfs/dbraw/zinc/18/55/48/637185548.db2.gz RUTBZHCPDGNULH-BBRMVZONSA-N 2 0 319.405 2.486 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973386 643531041 /nfs/dbraw/zinc/53/10/41/643531041.db2.gz BKPZJHINKXDHRW-CHWSQXEVSA-N 2 0 307.394 2.329 20 5 DEBDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819226945 647612097 /nfs/dbraw/zinc/61/20/97/647612097.db2.gz MAXLDMATIUAWEL-MRXNPFEDSA-N 2 0 321.421 2.340 20 5 DEBDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CCCC1 ZINC000819226944 647612410 /nfs/dbraw/zinc/61/24/10/647612410.db2.gz MAXLDMATIUAWEL-INIZCTEOSA-N 2 0 321.421 2.340 20 5 DEBDRP CCO[C@@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961644 693536317 /nfs/dbraw/zinc/53/63/17/693536317.db2.gz PQIUZOWEMDYFNC-SWLSCSKDSA-N 2 0 307.394 2.138 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc2ccccc2c([N+](=O)[O-])c1 ZINC001167884566 778747624 /nfs/dbraw/zinc/74/76/24/778747624.db2.gz WYKKTEXNIZJLQB-UHFFFAOYSA-N 2 0 301.350 2.423 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170318633 786906376 /nfs/dbraw/zinc/90/63/76/786906376.db2.gz QPNDBCXVIQSYSC-XBFCOCLRSA-N 2 0 307.394 2.394 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@@H](C)C[NH3+])c1F ZINC001173178212 793620539 /nfs/dbraw/zinc/62/05/39/793620539.db2.gz BMMFCRLATAZMMV-WDEREUQCSA-N 2 0 313.373 2.200 20 5 DEBDRP C[N@@H+]1CCC[C@@H](CCNc2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)C1 ZINC001165277992 799694424 /nfs/dbraw/zinc/69/44/24/799694424.db2.gz CFUDZRZONPDAHA-LBPRGKRZSA-N 2 0 304.394 2.342 20 5 DEBDRP C[C@H]1C[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C[C@H]1C[NH3+] ZINC001246544786 1140949842 /nfs/dbraw/zinc/94/98/42/1140949842.db2.gz YWVMXIPJGJXRCS-UONOGXRCSA-N 2 0 318.421 2.090 20 5 DEBDRP C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@@H]1C[NH3+] ZINC001246566806 1140969611 /nfs/dbraw/zinc/96/96/11/1140969611.db2.gz JRJJTZVAPOVNAY-MRRJBJDNSA-N 2 0 303.406 2.369 20 5 DEBDRP [NH3+]CCC1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000579723075 357021860 /nfs/dbraw/zinc/02/18/60/357021860.db2.gz WPXPGKJWZNGZTI-UHFFFAOYSA-N 2 0 304.350 2.297 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591281851 357699282 /nfs/dbraw/zinc/69/92/82/357699282.db2.gz OYBUNLQMUSVWKA-OAHLLOKOSA-N 2 0 305.378 2.225 20 5 DEBDRP C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593730828 358132651 /nfs/dbraw/zinc/13/26/51/358132651.db2.gz HZWHYUBPRODLLZ-BBRMVZONSA-N 2 0 307.394 2.423 20 5 DEBDRP Cc1c([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000268974723 207137228 /nfs/dbraw/zinc/13/72/28/207137228.db2.gz IYWOPSQCNNGKCC-CYBMUJFWSA-N 2 0 307.394 2.011 20 5 DEBDRP C[C@H]([NH2+][C@@H]1CN(C2CC2)C[C@@H]1C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283967404 403235668 /nfs/dbraw/zinc/23/56/68/403235668.db2.gz GKXXMEFRHXVJFF-ZIBATOQPSA-N 2 0 304.394 2.310 20 5 DEBDRP CN1CCC([N@@H+]2CC[C@@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269393 404027399 /nfs/dbraw/zinc/02/73/99/404027399.db2.gz WIGQZDUUPCXLOR-CYBMUJFWSA-N 2 0 322.384 2.314 20 5 DEBDRP Cc1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1[N+](=O)[O-] ZINC000414776953 404731674 /nfs/dbraw/zinc/73/16/74/404731674.db2.gz FDHRSVNZOJSRQC-WBVHZDCISA-N 2 0 319.405 2.231 20 5 DEBDRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000420306228 405313089 /nfs/dbraw/zinc/31/30/89/405313089.db2.gz ACDLYBRXPCDUAB-AWEZNQCLSA-N 2 0 320.393 2.127 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332249 405322851 /nfs/dbraw/zinc/32/28/51/405322851.db2.gz RRPGZOZAHDLAOO-LSDHHAIUSA-N 2 0 319.405 2.295 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420336925 405324414 /nfs/dbraw/zinc/32/44/14/405324414.db2.gz QPBHICQYNOLVQS-MJEQTWJJSA-N 2 0 319.405 2.484 20 5 DEBDRP CN(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC1 ZINC000447538798 405417336 /nfs/dbraw/zinc/41/73/36/405417336.db2.gz DIQIYADYFJIFGS-RBSFLKMASA-N 2 0 321.425 2.205 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000567910896 406159260 /nfs/dbraw/zinc/15/92/60/406159260.db2.gz JFANWQPGOWIHRN-QWHCGFSZSA-N 2 0 320.393 2.043 20 5 DEBDRP CC1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423321042 278463363 /nfs/dbraw/zinc/46/33/63/278463363.db2.gz FWYJTTALFXXIHV-UONOGXRCSA-N 2 0 321.425 2.254 20 5 DEBDRP C[C@]1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344741 280158332 /nfs/dbraw/zinc/15/83/32/280158332.db2.gz ONCBBLVSPWZIHZ-FMKPAKJESA-N 2 0 321.425 2.254 20 5 DEBDRP COCC[N@H+](C)CCCN[C@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934292 326257523 /nfs/dbraw/zinc/25/75/23/326257523.db2.gz INEBXEHBMUBLLP-HNNXBMFYSA-N 2 0 307.394 2.140 20 5 DEBDRP COc1c(O)ccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000891611120 624492278 /nfs/dbraw/zinc/49/22/78/624492278.db2.gz GNXJDORRPSBTMJ-UHFFFAOYSA-N 2 0 323.393 2.083 20 5 DEBDRP CC(C)(C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C[NH+]1CCCC1 ZINC000877474156 690124230 /nfs/dbraw/zinc/12/42/30/690124230.db2.gz RTBZJQVDKIMOBJ-UHFFFAOYSA-N 2 0 321.425 2.206 20 5 DEBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057137 1152054955 /nfs/dbraw/zinc/05/49/55/1152054955.db2.gz NBKCRHZINYQWNC-SOUVJXGZSA-N 2 0 321.425 2.028 20 5 DEBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001159790006 798608525 /nfs/dbraw/zinc/60/85/25/798608525.db2.gz ZOVBEEYMEUCNJL-CYBMUJFWSA-N 2 0 319.340 2.232 20 5 DEBDRP Cc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC001661651897 1080503719 /nfs/dbraw/zinc/50/37/19/1080503719.db2.gz OBCQTBQUUVRGQT-UHFFFAOYSA-N 2 0 320.437 2.019 20 5 DEBDRP CC[NH+]1CCC(C[NH2+][C@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001665450986 1081030026 /nfs/dbraw/zinc/03/00/26/1081030026.db2.gz YQASHOOKICWNEP-QGZVFWFLSA-N 2 0 321.421 2.124 20 5 DEBDRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552863 1140957784 /nfs/dbraw/zinc/95/77/84/1140957784.db2.gz WDCOBCOSBGQWQI-HOTGVXAUSA-N 2 0 307.369 2.215 20 5 DEBDRP CC[C@H]([NH3+])CN(C)[C@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246981869 1141210474 /nfs/dbraw/zinc/21/04/74/1141210474.db2.gz SMOFSPWIQPUIJQ-MNOVXSKESA-N 2 0 313.373 2.343 20 5 DEBDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173313277 186175655 /nfs/dbraw/zinc/17/56/55/186175655.db2.gz XQTHNXLTHRHILX-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000051958527 354391578 /nfs/dbraw/zinc/39/15/78/354391578.db2.gz YVHSNOFMARXPSK-UHFFFAOYSA-N 2 0 319.405 2.139 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000591578376 357737703 /nfs/dbraw/zinc/73/77/03/357737703.db2.gz XMEMTOCBKRFLQY-HZSPNIEDSA-N 2 0 307.398 2.007 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CC23CC[NH2+]CC3)n1 ZINC000591581774 357738994 /nfs/dbraw/zinc/73/89/94/357738994.db2.gz SGDZGUWWIMFKHE-MGPQQGTHSA-N 2 0 319.409 2.007 20 5 DEBDRP CC[NH+](CC)CC1CC[NH+](CCn2c(C)ncc2[N+](=O)[O-])CC1 ZINC000602763817 360541656 /nfs/dbraw/zinc/54/16/56/360541656.db2.gz DTFRQLAIUUXNRU-UHFFFAOYSA-N 2 0 323.441 2.154 20 5 DEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1cccc([N+](=O)[O-])c1 ZINC000267908197 206330165 /nfs/dbraw/zinc/33/01/65/206330165.db2.gz CFILGPMMWHETBF-UHFFFAOYSA-N 2 0 322.453 2.300 20 5 DEBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173288 285111497 /nfs/dbraw/zinc/11/14/97/285111497.db2.gz CCXLFGQWGWZZPM-DVOMOZLQSA-N 2 0 307.394 2.292 20 5 DEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922506 145144865 /nfs/dbraw/zinc/14/48/65/145144865.db2.gz BIJDQZAUICEYQO-RHSMWYFYSA-N 2 0 319.405 2.390 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155004478 402241497 /nfs/dbraw/zinc/24/14/97/402241497.db2.gz GASFAZRFTOPSFV-GJZGRUSLSA-N 2 0 320.437 2.190 20 5 DEBDRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998481 403237828 /nfs/dbraw/zinc/23/78/28/403237828.db2.gz HSFOOKBSJGZVQR-GLQYFDAESA-N 2 0 304.394 2.454 20 5 DEBDRP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158175 403250316 /nfs/dbraw/zinc/25/03/16/403250316.db2.gz PRUBWDDFHZOSLH-NWDGAFQWSA-N 2 0 304.394 2.312 20 5 DEBDRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1[N+](=O)[O-] ZINC000415019485 404789344 /nfs/dbraw/zinc/78/93/44/404789344.db2.gz DUUZYEBBXQVPJH-JOCQHMNTSA-N 2 0 307.394 2.458 20 5 DEBDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572508 405418236 /nfs/dbraw/zinc/41/82/36/405418236.db2.gz CHKFWIZNOLHTGA-LSDHHAIUSA-N 2 0 319.409 2.127 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431038719 405565759 /nfs/dbraw/zinc/56/57/59/405565759.db2.gz DOHCZIJJKZOVLM-UHFFFAOYSA-N 2 0 305.378 2.049 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423489785 405825105 /nfs/dbraw/zinc/82/51/05/405825105.db2.gz GUQPIVQNWQGJOP-BZPMIXESSA-N 2 0 320.393 2.029 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000576338134 326286729 /nfs/dbraw/zinc/28/67/29/326286729.db2.gz QZAKVNSQLXVXDS-BRWVUGGUSA-N 2 0 319.405 2.484 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000923364787 637138305 /nfs/dbraw/zinc/13/83/05/637138305.db2.gz OJXWWFLLJDBJLW-DLBZAZTESA-N 2 0 319.405 2.092 20 5 DEBDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429043 643035238 /nfs/dbraw/zinc/03/52/38/643035238.db2.gz JMSFSNQUUFCSOQ-PAPYEOQZSA-N 2 0 307.394 2.040 20 5 DEBDRP CC(C)(C[NH3+])C1CC[NH+](C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000903791161 643456323 /nfs/dbraw/zinc/45/63/23/643456323.db2.gz PKHBRXIAKWLSIE-INIZCTEOSA-N 2 0 321.421 2.325 20 5 DEBDRP C[C@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[NH+](C)C ZINC000813877457 646818599 /nfs/dbraw/zinc/81/85/99/646818599.db2.gz WKWZMTXNCPHUKF-CQSZACIVSA-N 2 0 320.437 2.351 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984352 647557728 /nfs/dbraw/zinc/55/77/28/647557728.db2.gz FJVCOHQLIQNBPN-WMLDXEAASA-N 2 0 321.421 2.338 20 5 DEBDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819106118 647584462 /nfs/dbraw/zinc/58/44/62/647584462.db2.gz NBTBYICHSQYJBV-KRWDZBQOSA-N 2 0 321.421 2.340 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133354 647590054 /nfs/dbraw/zinc/59/00/54/647590054.db2.gz OOQRZMUFKVDIBZ-BMFZPTHFSA-N 2 0 307.394 2.091 20 5 DEBDRP O=[N+]([O-])CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930134707 694097381 /nfs/dbraw/zinc/09/73/81/694097381.db2.gz SUBCSJJUPCDXMZ-UHFFFAOYSA-N 2 0 303.406 2.251 20 5 DEBDRP Cc1c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873011141 689140752 /nfs/dbraw/zinc/14/07/52/689140752.db2.gz TZRHNSOSWICDBA-UHFFFAOYSA-N 2 0 320.437 2.019 20 5 DEBDRP CC[N+](C)(C)Cc1ccccc1NCC[C@@H]1CCOC12C[NH2+]C2 ZINC001163088664 799242031 /nfs/dbraw/zinc/24/20/31/799242031.db2.gz FWXFTSVFNFYTHT-QGZVFWFLSA-N 2 0 318.485 2.463 20 5 DEBDRP C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733993 358132498 /nfs/dbraw/zinc/13/24/98/358132498.db2.gz QOKJWHZYAUOPSI-CJNGLKHVSA-N 2 0 307.394 2.423 20 5 DEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321661 402692238 /nfs/dbraw/zinc/69/22/38/402692238.db2.gz TXQHAYRZGDXSGL-CABCVRRESA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2nccn2C)CC1 ZINC000266882502 402996674 /nfs/dbraw/zinc/99/66/74/402996674.db2.gz AMPVLRDIJZXQGF-ZDUSSCGKSA-N 2 0 315.377 2.212 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415067246 404799809 /nfs/dbraw/zinc/79/98/09/404799809.db2.gz KGQLRXNFFCJKKQ-GFCCVEGCSA-N 2 0 320.393 2.044 20 5 DEBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)N(C)C1CC1 ZINC000447563696 405417247 /nfs/dbraw/zinc/41/72/47/405417247.db2.gz RTDDDRDLDWKENP-BPLDGKMQSA-N 2 0 321.425 2.347 20 5 DEBDRP C[C@H]([NH3+])C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430963413 405550328 /nfs/dbraw/zinc/55/03/28/405550328.db2.gz UVKYHYLHRAUODC-JTQLQIEISA-N 2 0 304.350 2.295 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000423222095 405728785 /nfs/dbraw/zinc/72/87/85/405728785.db2.gz ZQNFKGCEFUJBHH-PNESKVBLSA-N 2 0 320.393 2.171 20 5 DEBDRP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2)cc1[N+](=O)[O-] ZINC000517567842 269387548 /nfs/dbraw/zinc/38/75/48/269387548.db2.gz UYKHKQIFNPXIGI-UHFFFAOYSA-N 2 0 301.346 2.352 20 5 DEBDRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678432 274385639 /nfs/dbraw/zinc/38/56/39/274385639.db2.gz XWSNPHNFPXXUAD-CABCVRRESA-N 2 0 318.421 2.105 20 5 DEBDRP C[C@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841062202 650418609 /nfs/dbraw/zinc/41/86/09/650418609.db2.gz SWXYYCFWRWRRLG-ZFWWWQNUSA-N 2 0 318.421 2.294 20 5 DEBDRP C[NH+]1CCC(C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000788469548 643613420 /nfs/dbraw/zinc/61/34/20/643613420.db2.gz LPJNPNNJBIBSAB-UHFFFAOYSA-N 2 0 318.421 2.059 20 5 DEBDRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC[N+](=O)[O-] ZINC000905131691 643806462 /nfs/dbraw/zinc/80/64/62/643806462.db2.gz HNWQQPWPSZAJDW-UHFFFAOYSA-N 2 0 303.362 2.278 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3CC[NH2+]CC3)CC2)cc1 ZINC000817941909 647388801 /nfs/dbraw/zinc/38/88/01/647388801.db2.gz TXONIKXRSIOPHG-UHFFFAOYSA-N 2 0 318.421 2.153 20 5 DEBDRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849092692 651600752 /nfs/dbraw/zinc/60/07/52/651600752.db2.gz AAXFIDFORBKLGX-CQSZACIVSA-N 2 0 319.409 2.001 20 5 DEBDRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000873288959 689203396 /nfs/dbraw/zinc/20/33/96/689203396.db2.gz DFECEGSXBDASQN-CJNGLKHVSA-N 2 0 319.405 2.404 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc(Cl)ccc1C=C[N+](=O)[O-] ZINC001167882831 778746856 /nfs/dbraw/zinc/74/68/56/778746856.db2.gz ZPRADSGEFZYSBP-VMPITWQZSA-N 2 0 311.773 2.263 20 5 DEBDRP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168996990 784996694 /nfs/dbraw/zinc/99/66/94/784996694.db2.gz APTASENCVAZTRB-DLBZAZTESA-N 2 0 317.433 2.468 20 5 DEBDRP CC[NH+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238399 793656888 /nfs/dbraw/zinc/65/68/88/793656888.db2.gz RFHYBMOTIPLDDW-NUEKZKHPSA-N 2 0 303.406 2.409 20 5 DEBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccc([N+](=O)[O-])cc2)CC1 ZINC001174477422 793997395 /nfs/dbraw/zinc/99/73/95/793997395.db2.gz LSERJFLAPLWLGA-UHFFFAOYSA-N 2 0 313.361 2.485 20 5 DEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001159785998 798607425 /nfs/dbraw/zinc/60/74/25/798607425.db2.gz VHYWVZBYDPSENG-JTQLQIEISA-N 2 0 309.757 2.232 20 5 DEBDRP C[NH+](C)CCOc1cc(N[C@@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001162400957 799078826 /nfs/dbraw/zinc/07/88/26/799078826.db2.gz JNWVVYHJQLJSJH-QWHCGFSZSA-N 2 0 322.409 2.217 20 5 DEBDRP C[N+](C)(C)CCCOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224623108 802886650 /nfs/dbraw/zinc/88/66/50/802886650.db2.gz LEWOLCSEHSKZCO-LJQANCHMSA-N 2 0 321.485 2.390 20 5 DEBDRP C[NH2+]C[C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001329025170 1148858935 /nfs/dbraw/zinc/85/89/35/1148858935.db2.gz SONCAGPJJWAGOP-ZDUSSCGKSA-N 2 0 306.410 2.009 20 5 DEBDRP C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@@H]1C[NH3+] ZINC001246566808 1140971122 /nfs/dbraw/zinc/97/11/22/1140971122.db2.gz JRJJTZVAPOVNAY-SUYBPPKGSA-N 2 0 303.406 2.369 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001254579030 1143261577 /nfs/dbraw/zinc/26/15/77/1143261577.db2.gz OXRBBNJYSNHMCG-OAHLLOKOSA-N 2 0 301.390 2.138 20 5 DEBDRP O=[N+]([O-])c1ccn(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000592493344 357886360 /nfs/dbraw/zinc/88/63/60/357886360.db2.gz OAZCKMCBMJTVJT-UHFFFAOYSA-N 2 0 321.425 2.208 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000423285707 296518612 /nfs/dbraw/zinc/51/86/12/296518612.db2.gz ZVCWZRYTROPKPJ-SOUVJXGZSA-N 2 0 321.425 2.254 20 5 DEBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000248183242 145150193 /nfs/dbraw/zinc/15/01/93/145150193.db2.gz WVRZMDCXBROBBG-YOEHRIQHSA-N 2 0 321.421 2.482 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000566414389 292236430 /nfs/dbraw/zinc/23/64/30/292236430.db2.gz ZPMBPJDPRHWLPP-CHWSQXEVSA-N 2 0 320.393 2.043 20 5 DEBDRP CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]CC1 ZINC000435615166 404995403 /nfs/dbraw/zinc/99/54/03/404995403.db2.gz GVBQOGNOEQVWBE-AWEZNQCLSA-N 2 0 307.394 2.438 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369759 405075985 /nfs/dbraw/zinc/07/59/85/405075985.db2.gz CJQJMRAGJNEYTH-KCPJHIHWSA-N 2 0 320.393 2.171 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424373064 405077260 /nfs/dbraw/zinc/07/72/60/405077260.db2.gz XIBBCLGMAPXCOC-KCPJHIHWSA-N 2 0 320.393 2.171 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431032095 405565254 /nfs/dbraw/zinc/56/52/54/405565254.db2.gz ABQBTUJINPMPNF-UHFFFAOYSA-N 2 0 305.378 2.049 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423431607 298392635 /nfs/dbraw/zinc/39/26/35/298392635.db2.gz LYDOGHWPZSHYQY-MGPQQGTHSA-N 2 0 309.414 2.382 20 5 DEBDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398738 535581160 /nfs/dbraw/zinc/58/11/60/535581160.db2.gz UAOCXVMBEHDWSV-LSDHHAIUSA-N 2 0 323.441 2.282 20 5 DEBDRP CC1(C)C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]([NH3+])C1 ZINC000925594544 625428504 /nfs/dbraw/zinc/42/85/04/625428504.db2.gz DJIHJOFUCYPBGX-OLZOCXBDSA-N 2 0 307.394 2.469 20 5 DEBDRP [NH3+]CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000923351847 637133714 /nfs/dbraw/zinc/13/37/14/637133714.db2.gz CEZLULOLZXQECX-KRWDZBQOSA-N 2 0 321.421 2.469 20 5 DEBDRP [NH3+]CCCCCCC[NH+]1CCC(n2ccc([N+](=O)[O-])n2)CC1 ZINC000842476971 650749272 /nfs/dbraw/zinc/74/92/72/650749272.db2.gz YRTXNOCUMLSWFS-UHFFFAOYSA-N 2 0 309.414 2.337 20 5 DEBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622765 643629508 /nfs/dbraw/zinc/62/95/08/643629508.db2.gz CKFAWDVVULZOLJ-OCCSQVGLSA-N 2 0 324.425 2.184 20 5 DEBDRP C[N@H+](CCCC[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819363306 647644075 /nfs/dbraw/zinc/64/40/75/647644075.db2.gz VKVYKSIINSRGSS-INIZCTEOSA-N 2 0 307.394 2.092 20 5 DEBDRP O=[N+]([O-])CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000930565434 694191180 /nfs/dbraw/zinc/19/11/80/694191180.db2.gz WJJRJBNAWKCDSS-UHFFFAOYSA-N 2 0 303.406 2.251 20 5 DEBDRP Cc1c(C[NH2+]CCCC[NH+]2CCN(C)CC2)cccc1[N+](=O)[O-] ZINC000873012957 689140692 /nfs/dbraw/zinc/14/06/92/689140692.db2.gz ZROLCVSUCOHVIO-UHFFFAOYSA-N 2 0 320.437 2.020 20 5 DEBDRP COc1cc(C[NH2+][C@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000873222043 689187490 /nfs/dbraw/zinc/18/74/90/689187490.db2.gz XXWNYWKJMGGCNA-LLVKDONJSA-N 2 0 323.393 2.090 20 5 DEBDRP C[NH+](C)CC1(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CCCC1 ZINC000877348542 690084838 /nfs/dbraw/zinc/08/48/38/690084838.db2.gz IRAGEVDFGLZYJM-UHFFFAOYSA-N 2 0 321.425 2.206 20 5 DEBDRP CCC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000925811791 693346135 /nfs/dbraw/zinc/34/61/35/693346135.db2.gz RYKSSIZYMURPNY-QGZVFWFLSA-N 2 0 320.437 2.449 20 5 DEBDRP [NH3+]C1(c2ccccc2)CC[NH+]([C@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997507 784996553 /nfs/dbraw/zinc/99/65/53/784996553.db2.gz CUDHDXLRDFBSCR-HOCLYGCPSA-N 2 0 303.406 2.382 20 5 DEBDRP C[NH+]1CCC(C2CC[NH+]([C@@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169033998 785011441 /nfs/dbraw/zinc/01/14/41/785011441.db2.gz DYTNZXNALKCDSW-RHSMWYFYSA-N 2 0 309.454 2.486 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170300112 786894873 /nfs/dbraw/zinc/89/48/73/786894873.db2.gz XBFPSXVQFYPAFY-CYBMUJFWSA-N 2 0 321.421 2.466 20 5 DEBDRP CC[NH+]1CCC(CN(CC[NH3+])c2ccc([N+](=O)[O-])cc2)CC1 ZINC001181463409 795476390 /nfs/dbraw/zinc/47/63/90/795476390.db2.gz AGBVWOUICMVDSP-UHFFFAOYSA-N 2 0 306.410 2.092 20 5 DEBDRP [NH3+]CCc1cn(-c2cc([N+](=O)[O-])cc(Cl)n2)c2cc[nH+]cc12 ZINC001160944835 798767133 /nfs/dbraw/zinc/76/71/33/798767133.db2.gz ZGBWGUWKQSMPFK-UHFFFAOYSA-N 2 0 317.736 2.483 20 5 DEBDRP CC[NH+](CC)CC[C@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001659132151 1080231166 /nfs/dbraw/zinc/23/11/66/1080231166.db2.gz YTTYQSRNDOYOOS-HSBZDZAISA-N 2 0 309.414 2.205 20 5 DEBDRP COc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592469621 357882596 /nfs/dbraw/zinc/88/25/96/357882596.db2.gz WZZCQUOKDJWTNZ-BFHYXJOUSA-N 2 0 305.378 2.081 20 5 DEBDRP Cc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000120416507 195162328 /nfs/dbraw/zinc/16/23/28/195162328.db2.gz IZSGYVCHOMSEAO-OAHLLOKOSA-N 2 0 320.437 2.191 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262079590 145259975 /nfs/dbraw/zinc/25/99/75/145259975.db2.gz HAOUTEMFZXTNJH-NILFDRSVSA-N 2 0 305.378 2.163 20 5 DEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000565158442 292138475 /nfs/dbraw/zinc/13/84/75/292138475.db2.gz UNWBXQGPXTXDQA-YPMHNXCESA-N 2 0 320.393 2.043 20 5 DEBDRP COc1cc(C[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000347091404 146193288 /nfs/dbraw/zinc/19/32/88/146193288.db2.gz FHUKPLIWXCMJSC-NSHDSACASA-N 2 0 323.393 2.171 20 5 DEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccccc1[N+](=O)[O-] ZINC000371289396 148083804 /nfs/dbraw/zinc/08/38/04/148083804.db2.gz KSEPZJHQLHOCMP-OIISXLGYSA-N 2 0 319.405 2.278 20 5 DEBDRP Cc1cnc(N(CCC[NH+](C)C)CCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC000176668945 402327105 /nfs/dbraw/zinc/32/71/05/402327105.db2.gz NTMOHDWKYQHHQN-UHFFFAOYSA-N 2 0 323.441 2.008 20 5 DEBDRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261884027 402718545 /nfs/dbraw/zinc/71/85/45/402718545.db2.gz MXVIVZKSEUUPOD-CHWSQXEVSA-N 2 0 312.373 2.497 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342100370 404367880 /nfs/dbraw/zinc/36/78/80/404367880.db2.gz JZSBAGHDLFVLDV-BFHYXJOUSA-N 2 0 305.378 2.033 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414921770 404767542 /nfs/dbraw/zinc/76/75/42/404767542.db2.gz FVBSAWUPDFDGMC-AGIUHOORSA-N 2 0 320.393 2.171 20 5 DEBDRP C[C@@H](CCC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415026558 404790037 /nfs/dbraw/zinc/79/00/37/404790037.db2.gz UOVDDWQSIGAXJG-VIFPVBQESA-N 2 0 303.309 2.413 20 5 DEBDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130124 404814768 /nfs/dbraw/zinc/81/47/68/404814768.db2.gz QLMYSJDMSRITDK-DLBZAZTESA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134304 404815972 /nfs/dbraw/zinc/81/59/72/404815972.db2.gz VXKOXPNRFOCGEW-SJORKVTESA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160258403 278258788 /nfs/dbraw/zinc/25/87/88/278258788.db2.gz AMYUVKAWZALAKZ-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000576338133 326286438 /nfs/dbraw/zinc/28/64/38/326286438.db2.gz QZAKVNSQLXVXDS-BBWFWOEESA-N 2 0 319.405 2.484 20 5 DEBDRP CCC[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423186157 528218776 /nfs/dbraw/zinc/21/87/76/528218776.db2.gz WNPXRZHDJCHOKI-KRWDZBQOSA-N 2 0 320.437 2.321 20 5 DEBDRP COc1c(O)ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000893470708 633809316 /nfs/dbraw/zinc/80/93/16/633809316.db2.gz KAQHNYDAVYDTEJ-UHFFFAOYSA-N 2 0 323.393 2.131 20 5 DEBDRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1cccc([N+](=O)[O-])c1 ZINC000843360572 650957090 /nfs/dbraw/zinc/95/70/90/650957090.db2.gz DGSYJJDVQVXCMJ-AGUYFDCRSA-N 2 0 305.378 2.318 20 5 DEBDRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ccc([N+](=O)[O-])cc1 ZINC000091485348 684036628 /nfs/dbraw/zinc/03/66/28/684036628.db2.gz MALBLHRLDJJPQC-UHFFFAOYSA-N 2 0 308.426 2.305 20 5 DEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873073701 689154765 /nfs/dbraw/zinc/15/47/65/689154765.db2.gz CGIWRJBKRXCFPL-OAHLLOKOSA-N 2 0 309.410 2.350 20 5 DEBDRP C[NH+]1CCC(C2CC[NH+]([C@H]3CC[C@@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169033996 785012131 /nfs/dbraw/zinc/01/21/31/785012131.db2.gz DYTNZXNALKCDSW-PBHICJAKSA-N 2 0 309.454 2.486 20 5 DEBDRP Cc1cc(N[C@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001170905111 789648643 /nfs/dbraw/zinc/64/86/43/789648643.db2.gz RUCWQMQZLQTCFO-NSHDSACASA-N 2 0 317.187 2.101 20 5 DEBDRP C[N+](C)(C)CCOC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224775696 802902349 /nfs/dbraw/zinc/90/23/49/802902349.db2.gz MWEGDKIPGNYHCH-GOSISDBHSA-N 2 0 307.458 2.000 20 5 DEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)n1 ZINC000593322505 358054366 /nfs/dbraw/zinc/05/43/66/358054366.db2.gz NTZLPJHGZIOYHM-GJZGRUSLSA-N 2 0 321.425 2.254 20 5 DEBDRP COc1ccc(OCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443060365 238102468 /nfs/dbraw/zinc/10/24/68/238102468.db2.gz OXMITGCIJIYLHE-ZDUSSCGKSA-N 2 0 323.393 2.043 20 5 DEBDRP CC[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc([N+](=O)[O-])c1 ZINC000151856541 402061036 /nfs/dbraw/zinc/06/10/36/402061036.db2.gz DVGFFYZAIBHXAG-KRWDZBQOSA-N 2 0 321.421 2.340 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336852886 403926158 /nfs/dbraw/zinc/92/61/58/403926158.db2.gz AGDDIJDWUKHWML-CYBMUJFWSA-N 2 0 307.394 2.486 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414921772 404767265 /nfs/dbraw/zinc/76/72/65/404767265.db2.gz FVBSAWUPDFDGMC-JHJVBQTASA-N 2 0 320.393 2.171 20 5 DEBDRP COc1ccc(OCC[N@H+](C)[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435620633 404997244 /nfs/dbraw/zinc/99/72/44/404997244.db2.gz DUKOHFPJMNFFBL-CYBMUJFWSA-N 2 0 323.393 2.056 20 5 DEBDRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499460 292345016 /nfs/dbraw/zinc/34/50/16/292345016.db2.gz CQJRRWILHIUULL-KBPBESRZSA-N 2 0 309.414 2.253 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420329820 405322216 /nfs/dbraw/zinc/32/22/16/405322216.db2.gz PBXISAQMICVOEH-VUCTXSBTSA-N 2 0 319.405 2.484 20 5 DEBDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN1C ZINC000447543008 405417555 /nfs/dbraw/zinc/41/75/55/405417555.db2.gz KOAANDXTSIUVAW-KBUPBQIOSA-N 2 0 321.425 2.347 20 5 DEBDRP CC1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423321037 405759772 /nfs/dbraw/zinc/75/97/72/405759772.db2.gz FWYJTTALFXXIHV-KBPBESRZSA-N 2 0 321.425 2.254 20 5 DEBDRP C[C@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423469226 405815665 /nfs/dbraw/zinc/81/56/65/405815665.db2.gz YSDJYDKGVUFOPF-NEPJUHHUSA-N 2 0 308.382 2.029 20 5 DEBDRP COc1ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734870 406024665 /nfs/dbraw/zinc/02/46/65/406024665.db2.gz OSJCAYLHNBANSL-CYBMUJFWSA-N 2 0 307.394 2.425 20 5 DEBDRP Cc1c(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072029 230336472 /nfs/dbraw/zinc/33/64/72/230336472.db2.gz IQOYPSLKQSFHNY-BZUAXINKSA-N 2 0 319.405 2.150 20 5 DEBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+](C)C ZINC000425943684 279349076 /nfs/dbraw/zinc/34/90/76/279349076.db2.gz JOVMFHOBMSAFNG-MGPQQGTHSA-N 2 0 309.414 2.062 20 5 DEBDRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(Oc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000904323286 643636613 /nfs/dbraw/zinc/63/66/13/643636613.db2.gz NSKUBLGDWHCKKG-BETUJISGSA-N 2 0 305.378 2.175 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151864 647595378 /nfs/dbraw/zinc/59/53/78/647595378.db2.gz GRDBASGZAFHGIJ-WMLDXEAASA-N 2 0 321.421 2.196 20 5 DEBDRP Cc1c[nH+]ccc1N([C@@H]1CC[C@@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053087 785023361 /nfs/dbraw/zinc/02/33/61/785023361.db2.gz HKGMHFZBGKDLSY-GDBMZVCRSA-N 2 0 318.421 2.394 20 5 DEBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159786632 798608261 /nfs/dbraw/zinc/60/82/61/798608261.db2.gz GBGRIWLLYSHWIP-CYBMUJFWSA-N 2 0 309.757 2.232 20 5 DEBDRP Cc1cc(Cl)nc(NCCC[NH2+]CCCC[NH3+])c1[N+](=O)[O-] ZINC001162290292 799051047 /nfs/dbraw/zinc/05/10/47/799051047.db2.gz MTPKQGSKDGUILU-UHFFFAOYSA-N 2 0 315.805 2.082 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246121904 1140862970 /nfs/dbraw/zinc/86/29/70/1140862970.db2.gz VHLPYHJJPCHWET-KCQAQPDRSA-N 2 0 321.421 2.370 20 5 DEBDRP C[N@H+]1[C@@H]2CC[C@H]1C[C@@H]([NH2+][C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)C2 ZINC001254577007 1143260217 /nfs/dbraw/zinc/26/02/17/1143260217.db2.gz BFJZADWNYFPTJH-LVQVYYBASA-N 2 0 301.390 2.277 20 5 DEBDRP C[N@H+](CCOc1ccccc1[N+](=O)[O-])C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442777340 529928393 /nfs/dbraw/zinc/92/83/93/529928393.db2.gz IDDUQRPOCXCZAS-PBWFPOADSA-N 2 0 305.378 2.188 20 5 DEBDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000319945333 356442276 /nfs/dbraw/zinc/44/22/76/356442276.db2.gz HFJQKYVCNDUSRB-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CC23CC[NH2+]CC3)n1 ZINC000591581775 357739297 /nfs/dbraw/zinc/73/92/97/357739297.db2.gz SGDZGUWWIMFKHE-MJBXVCDLSA-N 2 0 319.409 2.007 20 5 DEBDRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438281 357877376 /nfs/dbraw/zinc/87/73/76/357877376.db2.gz IFEJRBAZMANVCB-RYUDHWBXSA-N 2 0 317.393 2.211 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315376 358053233 /nfs/dbraw/zinc/05/32/33/358053233.db2.gz IZKROUMLSFMGHE-ZMSDIMECSA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730822 358132894 /nfs/dbraw/zinc/13/28/94/358132894.db2.gz HQRRIIQLWVIPPB-KBPBESRZSA-N 2 0 307.394 2.423 20 5 DEBDRP COc1ccc(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])c1 ZINC000443060364 238100844 /nfs/dbraw/zinc/10/08/44/238100844.db2.gz OXMITGCIJIYLHE-CYBMUJFWSA-N 2 0 323.393 2.043 20 5 DEBDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415014801 533538974 /nfs/dbraw/zinc/53/89/74/533538974.db2.gz MWIGOXUZNTZEDG-STQMWFEESA-N 2 0 322.409 2.419 20 5 DEBDRP C[NH2+]CCC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000261942614 145245082 /nfs/dbraw/zinc/24/50/82/145245082.db2.gz LTCLTVAWVUTTNW-UHFFFAOYSA-N 2 0 307.394 2.425 20 5 DEBDRP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@H]1CCC[NH+](C)C1 ZINC000152474636 402097271 /nfs/dbraw/zinc/09/72/71/402097271.db2.gz MGLXIFOZUUWGJM-AWEZNQCLSA-N 2 0 307.394 2.247 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337820829 404260974 /nfs/dbraw/zinc/26/09/74/404260974.db2.gz UGRDERNPNZQKPA-UONOGXRCSA-N 2 0 305.378 2.320 20 5 DEBDRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696503 404710100 /nfs/dbraw/zinc/71/01/00/404710100.db2.gz GCPQYBDLXJJKKY-CABCVRRESA-N 2 0 318.421 2.105 20 5 DEBDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029598 404790844 /nfs/dbraw/zinc/79/08/44/404790844.db2.gz DZCQOYPEXREPRH-MWLCHTKSSA-N 2 0 315.320 2.413 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344232 405327200 /nfs/dbraw/zinc/32/72/00/405327200.db2.gz SEVIPROSHNBCKB-ZIAGYGMSSA-N 2 0 319.405 2.425 20 5 DEBDRP CC[NH2+]CC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000430566835 405459083 /nfs/dbraw/zinc/45/90/83/405459083.db2.gz DHUJCSPEOROYAZ-UHFFFAOYSA-N 2 0 307.394 2.295 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]C2CC2)n1 ZINC000423547371 405851304 /nfs/dbraw/zinc/85/13/04/405851304.db2.gz GBAKSJUHRGEIQT-UONOGXRCSA-N 2 0 307.398 2.007 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000576338135 326286473 /nfs/dbraw/zinc/28/64/73/326286473.db2.gz QZAKVNSQLXVXDS-GVDBMIGSSA-N 2 0 319.405 2.484 20 5 DEBDRP CCO[C@@H](CNCc1c(C)ccc([N+](=O)[O-])c1C)C[NH+](C)C ZINC000922753581 636375447 /nfs/dbraw/zinc/37/54/47/636375447.db2.gz QOPGLYITCXBCKK-AWEZNQCLSA-N 2 0 309.410 2.268 20 5 DEBDRP C[C@H]1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841005785 640568871 /nfs/dbraw/zinc/56/88/71/640568871.db2.gz KBORMCPVTINOLW-LSDHHAIUSA-N 2 0 318.421 2.105 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984205 647557790 /nfs/dbraw/zinc/55/77/90/647557790.db2.gz ANRBDLOREQZVAU-RHSMWYFYSA-N 2 0 321.421 2.338 20 5 DEBDRP [NH3+]C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCCC1 ZINC000849349858 651655463 /nfs/dbraw/zinc/65/54/63/651655463.db2.gz LVEZWGHSIUQICC-UHFFFAOYSA-N 2 0 318.421 2.425 20 5 DEBDRP Cc1cccc([N+](=O)[O-])c1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012304 687407906 /nfs/dbraw/zinc/40/79/06/687407906.db2.gz XPLKGAWGDGWDQB-HUUCEWRRSA-N 2 0 320.437 2.079 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873222227 689187571 /nfs/dbraw/zinc/18/75/71/689187571.db2.gz HQQCEDWGMZLGGR-LBPRGKRZSA-N 2 0 307.394 2.471 20 5 DEBDRP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000925783326 693341079 /nfs/dbraw/zinc/34/10/79/693341079.db2.gz FDZIUIZQRHTZLI-BZPMIXESSA-N 2 0 307.394 2.500 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)C[N@@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC001331980201 1149803373 /nfs/dbraw/zinc/80/33/73/1149803373.db2.gz GIGAXFJCYQTGTF-SFESLNEESA-N 2 0 301.390 2.484 20 5 DEBDRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236106 793647691 /nfs/dbraw/zinc/64/76/91/793647691.db2.gz WQBANIOVODDHKP-OAHLLOKOSA-N 2 0 322.453 2.128 20 5 DEBDRP Cc1noc(CN2CCC(c3cncn3C)CC2)c1[N+](=O)[O-] ZINC001198768527 798393221 /nfs/dbraw/zinc/39/32/21/798393221.db2.gz IHUJHDLJTNEZDR-UHFFFAOYSA-N 2 0 305.338 2.004 20 5 DEBDRP [NH3+]CCC[C@H]([NH3+])Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001159788464 798608153 /nfs/dbraw/zinc/60/81/53/798608153.db2.gz IOCKKTRFUBINFU-CYBMUJFWSA-N 2 0 309.757 2.232 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001246206485 1140873490 /nfs/dbraw/zinc/87/34/90/1140873490.db2.gz QPNDBCXVIQSYSC-IACUBPJLSA-N 2 0 307.394 2.394 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@H](C1CC1)C1C[NH2+]C1)CC2 ZINC001246513361 1140931737 /nfs/dbraw/zinc/93/17/37/1140931737.db2.gz DJQCFEYHWVIBBI-SJLPKXTDSA-N 2 0 315.417 2.430 20 5 DEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246932014 1141141637 /nfs/dbraw/zinc/14/16/37/1141141637.db2.gz ONNSRAKOICFTLI-CWRNSKLLSA-N 2 0 303.406 2.457 20 5 DEBDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540783 1143242692 /nfs/dbraw/zinc/24/26/92/1143242692.db2.gz WLWXFMSQTZVFJZ-HNNXBMFYSA-N 2 0 322.453 2.128 20 5 DEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001254559971 1143248551 /nfs/dbraw/zinc/24/85/51/1143248551.db2.gz DFXGWQYXEMTBJU-BMFZPTHFSA-N 2 0 303.406 2.409 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000423473284 230506961 /nfs/dbraw/zinc/50/69/61/230506961.db2.gz GQHQRIXEVDVMCI-SOUVJXGZSA-N 2 0 321.425 2.397 20 5 DEBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089580593 355536459 /nfs/dbraw/zinc/53/64/59/355536459.db2.gz SLUMTNICRHSBHN-CZUORRHYSA-N 2 0 307.394 2.294 20 5 DEBDRP COCC1(C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423380957 533141787 /nfs/dbraw/zinc/14/17/87/533141787.db2.gz FDDMFUZSXMDQSX-CYBMUJFWSA-N 2 0 307.394 2.262 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162523620 402423557 /nfs/dbraw/zinc/42/35/57/402423557.db2.gz DPUAHIKDVNXEJP-OAHLLOKOSA-N 2 0 320.437 2.191 20 5 DEBDRP Cc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414784596 404734688 /nfs/dbraw/zinc/73/46/88/404734688.db2.gz INJFRUSAAYKLAY-HNNXBMFYSA-N 2 0 319.405 2.091 20 5 DEBDRP CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629478 404998793 /nfs/dbraw/zinc/99/87/93/404998793.db2.gz XQHRHKZFNAFNGI-AWEZNQCLSA-N 2 0 307.394 2.438 20 5 DEBDRP CC(C)c1ccc(C[NH2+]CCOCC[NH+](C)C)cc1[N+](=O)[O-] ZINC000354197060 405091590 /nfs/dbraw/zinc/09/15/90/405091590.db2.gz YJXCBXDIKBQPKB-UHFFFAOYSA-N 2 0 309.410 2.386 20 5 DEBDRP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000925594549 625428585 /nfs/dbraw/zinc/42/85/85/625428585.db2.gz DJIHJOFUCYPBGX-STQMWFEESA-N 2 0 307.394 2.469 20 5 DEBDRP CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336427 637122487 /nfs/dbraw/zinc/12/24/87/637122487.db2.gz SDYXGGVSYDDSIJ-ZBFHGGJFSA-N 2 0 307.394 2.092 20 5 DEBDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414723 637168097 /nfs/dbraw/zinc/16/80/97/637168097.db2.gz NIKWTBBROKPIAU-RDJZCZTQSA-N 2 0 321.421 2.325 20 5 DEBDRP C[N@@H+]1C[C@@H]2CN(C/C=C/c3ccccc3[N+](=O)[O-])C[C@]2(C)C1 ZINC000897621471 640871555 /nfs/dbraw/zinc/87/15/55/640871555.db2.gz CGNUYATZCKPLOK-XUXNBKRGSA-N 2 0 301.390 2.492 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134667 647590478 /nfs/dbraw/zinc/59/04/78/647590478.db2.gz KSUAIIZPLJLNNQ-IIAWOOMASA-N 2 0 307.394 2.091 20 5 DEBDRP CC(C)(C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000819260881 647619989 /nfs/dbraw/zinc/61/99/89/647619989.db2.gz WIVLBVOUGDZXGM-MRXNPFEDSA-N 2 0 321.421 2.340 20 5 DEBDRP [NH3+]CCCCCC[NH+]1CCN(c2ccccc2[N+](=O)[O-])CC1 ZINC000846217203 651315770 /nfs/dbraw/zinc/31/57/70/651315770.db2.gz CPADXPSVRMKTTM-UHFFFAOYSA-N 2 0 306.410 2.236 20 5 DEBDRP Cc1c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000873107692 689159113 /nfs/dbraw/zinc/15/91/13/689159113.db2.gz XNYGCBUUPTYURC-CQSZACIVSA-N 2 0 320.437 2.019 20 5 DEBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC([NH+]4CCCCC4)C3)C2)c1 ZINC000877492495 690129816 /nfs/dbraw/zinc/12/98/16/690129816.db2.gz XPJVQTJCRFHITQ-UHFFFAOYSA-N 2 0 319.409 2.101 20 5 DEBDRP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN4CCCC[C@H]34)C2)c1 ZINC000877619061 690169266 /nfs/dbraw/zinc/16/92/66/690169266.db2.gz MZDCCGCTMHEKLA-BCAXMMLOSA-N 2 0 319.409 2.101 20 5 DEBDRP COc1cc(CN2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)c([N+](=O)[O-])cc1F ZINC000931435374 694394699 /nfs/dbraw/zinc/39/46/99/694394699.db2.gz CNIMSDPYGWBIBL-WCQYABFASA-N 2 0 323.368 2.126 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000886870441 692217069 /nfs/dbraw/zinc/21/70/69/692217069.db2.gz YCQICHIMRUZQFG-QGZVFWFLSA-N 2 0 319.405 2.439 20 5 DEBDRP C[NH+](C)Cc1ccc(CC[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168976585 784981227 /nfs/dbraw/zinc/98/12/27/784981227.db2.gz DQWJLTJCAVQCAK-SJORKVTESA-N 2 0 305.422 2.326 20 5 DEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034241 785010954 /nfs/dbraw/zinc/01/09/54/785010954.db2.gz GHQKQQVGWLEGNP-CZUORRHYSA-N 2 0 313.417 2.330 20 5 DEBDRP COc1c([N+](=O)[O-])cc(Cl)c(C)c1N[C@H]([NH3+])CCC[NH3+] ZINC001170900503 789644729 /nfs/dbraw/zinc/64/47/29/789644729.db2.gz LXZJNBPDBNXNBY-JTQLQIEISA-N 2 0 302.762 2.001 20 5 DEBDRP CC[NH+](CC)CC[C@@H](C)[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001659132152 1080231439 /nfs/dbraw/zinc/23/14/39/1080231439.db2.gz YTTYQSRNDOYOOS-IYXRBSQSSA-N 2 0 309.414 2.205 20 5 DEBDRP C[NH+](C)CCC[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476414 1143128418 /nfs/dbraw/zinc/12/84/18/1143128418.db2.gz QXVIANUOEHHDDE-UHFFFAOYSA-N 2 0 320.437 2.447 20 5 DEBDRP C[N@@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465851 1143129364 /nfs/dbraw/zinc/12/93/64/1143129364.db2.gz NLBQLKQILATLJC-AWEZNQCLSA-N 2 0 318.421 2.105 20 5 DEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711037 186105884 /nfs/dbraw/zinc/10/58/84/186105884.db2.gz KYDHJKQJIDQERI-GJZGRUSLSA-N 2 0 320.437 2.271 20 5 DEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158777048 197301103 /nfs/dbraw/zinc/30/11/03/197301103.db2.gz BIJDQZAUICEYQO-PBHICJAKSA-N 2 0 319.405 2.390 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357092841 147040698 /nfs/dbraw/zinc/04/06/98/147040698.db2.gz XRRVYOXHSGRBMV-OAHLLOKOSA-N 2 0 319.405 2.295 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162523748 402423427 /nfs/dbraw/zinc/42/34/27/402423427.db2.gz DPUAHIKDVNXEJP-HNNXBMFYSA-N 2 0 320.437 2.191 20 5 DEBDRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1[N+](=O)[O-] ZINC000268418504 403081482 /nfs/dbraw/zinc/08/14/82/403081482.db2.gz KMSMTKNEEWJYGX-UHFFFAOYSA-N 2 0 321.421 2.228 20 5 DEBDRP C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332074709 403475783 /nfs/dbraw/zinc/47/57/83/403475783.db2.gz YIWWTBYVKXVABG-LSDHHAIUSA-N 2 0 321.425 2.206 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414907797 404763810 /nfs/dbraw/zinc/76/38/10/404763810.db2.gz RCMLUJKKSUYAKW-CHWSQXEVSA-N 2 0 320.393 2.044 20 5 DEBDRP C[C@H]1CC2(C[N@@H+]1CCOc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424292887 405059263 /nfs/dbraw/zinc/05/92/63/405059263.db2.gz OOPIXRHQNIUVGK-AWEZNQCLSA-N 2 0 319.405 2.438 20 5 DEBDRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499463 292344893 /nfs/dbraw/zinc/34/48/93/292344893.db2.gz CQJRRWILHIUULL-ZIAGYGMSSA-N 2 0 309.414 2.253 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344231 405326947 /nfs/dbraw/zinc/32/69/47/405326947.db2.gz SEVIPROSHNBCKB-UONOGXRCSA-N 2 0 319.405 2.425 20 5 DEBDRP C[C@H](C[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C[NH+](C)C ZINC000425943682 405332040 /nfs/dbraw/zinc/33/20/40/405332040.db2.gz JOVMFHOBMSAFNG-HZSPNIEDSA-N 2 0 309.414 2.062 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430559237 405457198 /nfs/dbraw/zinc/45/71/98/405457198.db2.gz CCVMPWKWBXNAAE-UHFFFAOYSA-N 2 0 322.409 2.149 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000567910895 406158766 /nfs/dbraw/zinc/15/87/66/406158766.db2.gz JFANWQPGOWIHRN-OLZOCXBDSA-N 2 0 320.393 2.043 20 5 DEBDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000923452479 637189506 /nfs/dbraw/zinc/18/95/06/637189506.db2.gz HFUGHBRKMURPCT-LBPRGKRZSA-N 2 0 323.368 2.064 20 5 DEBDRP Cc1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1[N+](=O)[O-] ZINC000852007170 652311244 /nfs/dbraw/zinc/31/12/44/652311244.db2.gz KGKMTOFOUNBMKZ-UHFFFAOYSA-N 2 0 308.382 2.199 20 5 DEBDRP C[C@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000873261308 689196857 /nfs/dbraw/zinc/19/68/57/689196857.db2.gz NGTYBFMXIZHVDG-VTPLQMEGSA-N 2 0 304.394 2.358 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482809 694408804 /nfs/dbraw/zinc/40/88/04/694408804.db2.gz OVPRNRNHGWDCRP-AWEZNQCLSA-N 2 0 321.421 2.353 20 5 DEBDRP C[NH+]1CCC2(CCC[N@H+](Cc3cccnc3[N+](=O)[O-])C2)CC1 ZINC000886185818 692019789 /nfs/dbraw/zinc/01/97/89/692019789.db2.gz ITCZQLFFDPHDBQ-UHFFFAOYSA-N 2 0 304.394 2.298 20 5 DEBDRP CC[NH+](CC)CCN(CC[NH3+])[C@@H](C)Cc1ccc([N+](=O)[O-])cc1 ZINC001173236103 793647237 /nfs/dbraw/zinc/64/72/37/793647237.db2.gz WQBANIOVODDHKP-HNNXBMFYSA-N 2 0 322.453 2.128 20 5 DEBDRP [NH3+]CCCC[NH2+]CCCNc1nccc2cc([N+](=O)[O-])ccc21 ZINC001162294631 799051965 /nfs/dbraw/zinc/05/19/65/799051965.db2.gz PJGBFSGBXNTQFS-UHFFFAOYSA-N 2 0 317.393 2.274 20 5 DEBDRP O=[N+]([O-])c1cc2c(cc1NC[C@]1(F)CCCC[NH2+]C1)C[NH2+]C2 ZINC001162583601 799124178 /nfs/dbraw/zinc/12/41/78/799124178.db2.gz PWUGULBQKIEAAY-HNNXBMFYSA-N 2 0 308.357 2.092 20 5 DEBDRP O=[N+]([O-])c1cc2c(cc1NCc1ccc3c(c1)CC[NH2+]C3)C[NH2+]C2 ZINC001162810393 799182251 /nfs/dbraw/zinc/18/22/51/799182251.db2.gz SHMPAQRWLAGDBX-UHFFFAOYSA-N 2 0 324.384 2.456 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F)CC2 ZINC001246477880 1140916054 /nfs/dbraw/zinc/91/60/54/1140916054.db2.gz RAUODKNYXVUDIN-ZOBUZTSGSA-N 2 0 321.396 2.379 20 5 DEBDRP CC(C)[N@H+](C)C[C@H](O)CN(Cc1cccc([N+](=O)[O-])c1)C1CC1 ZINC000595350991 358427533 /nfs/dbraw/zinc/42/75/33/358427533.db2.gz CZOOQIPRWXWTNA-KRWDZBQOSA-N 2 0 321.421 2.260 20 5 DEBDRP COCCC[NH+]1CCC([NH2+]CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000602529460 360420107 /nfs/dbraw/zinc/42/01/07/360420107.db2.gz PNIFPQCAUFIXOM-UHFFFAOYSA-N 2 0 321.421 2.228 20 5 DEBDRP C[NH2+]CCC1CC[NH+](CCOc2ccccc2[N+](=O)[O-])CC1 ZINC000261971292 145248611 /nfs/dbraw/zinc/24/86/11/145248611.db2.gz DEEMLGNTDJRJPP-UHFFFAOYSA-N 2 0 307.394 2.295 20 5 DEBDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000154420828 402212115 /nfs/dbraw/zinc/21/21/15/402212115.db2.gz HDDDWENCMYFAAN-OAHLLOKOSA-N 2 0 320.437 2.273 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414907799 404763756 /nfs/dbraw/zinc/76/37/56/404763756.db2.gz RCMLUJKKSUYAKW-QWHCGFSZSA-N 2 0 320.393 2.044 20 5 DEBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117976 404811241 /nfs/dbraw/zinc/81/12/41/404811241.db2.gz DMIBAXKNYCCBBI-WBVHZDCISA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423527406 405843662 /nfs/dbraw/zinc/84/36/62/405843662.db2.gz MJIONSSMYFIJGR-GFCCVEGCSA-N 2 0 320.393 2.044 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CCCN1CCC(O)CC1 ZINC000532208285 406054630 /nfs/dbraw/zinc/05/46/30/406054630.db2.gz FILKSOJHRUBPQD-AWEZNQCLSA-N 2 0 321.421 2.401 20 5 DEBDRP Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000127498640 525730420 /nfs/dbraw/zinc/73/04/20/525730420.db2.gz FSJWYXGRCPKNFP-LSDHHAIUSA-N 2 0 320.437 2.190 20 5 DEBDRP [NH3+]CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC1CCCC1 ZINC000923351848 637134055 /nfs/dbraw/zinc/13/40/55/637134055.db2.gz CEZLULOLZXQECX-QGZVFWFLSA-N 2 0 321.421 2.469 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000841091488 650428889 /nfs/dbraw/zinc/42/88/89/650428889.db2.gz YYUYFCTYLJYIBZ-HNNXBMFYSA-N 2 0 318.421 2.295 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000842471163 650747798 /nfs/dbraw/zinc/74/77/98/650747798.db2.gz GYVBOROZHKCJOA-OAHLLOKOSA-N 2 0 318.421 2.107 20 5 DEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622763 643629410 /nfs/dbraw/zinc/62/94/10/643629410.db2.gz CKFAWDVVULZOLJ-GXTWGEPZSA-N 2 0 324.425 2.184 20 5 DEBDRP C[C@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000819101562 647583856 /nfs/dbraw/zinc/58/38/56/647583856.db2.gz BDATZWFAHLTXTL-WFASDCNBSA-N 2 0 309.410 2.194 20 5 DEBDRP C[C@@H](C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C[NH+]1CCCCC1 ZINC000876949491 689980999 /nfs/dbraw/zinc/98/09/99/689980999.db2.gz WYNGPKFTAVVQLB-NFOMZHRRSA-N 2 0 321.425 2.206 20 5 DEBDRP CC(C)C[N@@H+](Cc1cn(C)nc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000877767813 690220028 /nfs/dbraw/zinc/22/00/28/690220028.db2.gz WGYRDSINUZVTSC-UHFFFAOYSA-N 2 0 323.441 2.128 20 5 DEBDRP [NH3+]CCCC[NH2+]CCCNc1nccc2ccc([N+](=O)[O-])cc21 ZINC001162291240 799051937 /nfs/dbraw/zinc/05/19/37/799051937.db2.gz BACXHBKJVVOMTN-UHFFFAOYSA-N 2 0 317.393 2.274 20 5 DEBDRP C[NH+](C)CC(C)(C)C[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001353248192 1151819626 /nfs/dbraw/zinc/81/96/26/1151819626.db2.gz SJESFLWMHPLSSH-UHFFFAOYSA-N 2 0 322.409 2.101 20 5 DEBDRP C[NH2+][C@@H](C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001326075712 1148037704 /nfs/dbraw/zinc/03/77/04/1148037704.db2.gz LCWFFZPNBIXBJM-LBPRGKRZSA-N 2 0 317.393 2.083 20 5 DEBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000602020902 360243996 /nfs/dbraw/zinc/24/39/96/360243996.db2.gz OUQMOTLSKKXVDG-TUVASFSCSA-N 2 0 321.425 2.382 20 5 DEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC[NH2+]C2CC2)n1 ZINC000423547370 285169628 /nfs/dbraw/zinc/16/96/28/285169628.db2.gz GBAKSJUHRGEIQT-KGLIPLIRSA-N 2 0 307.398 2.007 20 5 DEBDRP C[C@@H](C[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000121026252 195283112 /nfs/dbraw/zinc/28/31/12/195283112.db2.gz GPKUODFCKXWIJE-GJZGRUSLSA-N 2 0 320.437 2.129 20 5 DEBDRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000282154437 403127753 /nfs/dbraw/zinc/12/77/53/403127753.db2.gz CYTFKDMBKCEBSL-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420299804 405310580 /nfs/dbraw/zinc/31/05/80/405310580.db2.gz JHHAHNIFUIRDOH-CQSZACIVSA-N 2 0 319.405 2.438 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321033 405318728 /nfs/dbraw/zinc/31/87/28/405318728.db2.gz CDSBSIPYVHJSRP-GJZGRUSLSA-N 2 0 319.405 2.295 20 5 DEBDRP Cc1c(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072031 405699700 /nfs/dbraw/zinc/69/97/00/405699700.db2.gz IQOYPSLKQSFHNY-OWCLPIDISA-N 2 0 319.405 2.150 20 5 DEBDRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423469229 405815705 /nfs/dbraw/zinc/81/57/05/405815705.db2.gz YSDJYDKGVUFOPF-VXGBXAGGSA-N 2 0 308.382 2.029 20 5 DEBDRP COCC[N@H+](C)CCCN[C@@H]1CCc2c1cccc2[N+](=O)[O-] ZINC000575934293 326257602 /nfs/dbraw/zinc/25/76/02/326257602.db2.gz INEBXEHBMUBLLP-OAHLLOKOSA-N 2 0 307.394 2.140 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455013 637186538 /nfs/dbraw/zinc/18/65/38/637186538.db2.gz RUTBZHCPDGNULH-CZUORRHYSA-N 2 0 319.405 2.486 20 5 DEBDRP CC[NH2+][C@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841065542 650420878 /nfs/dbraw/zinc/42/08/78/650420878.db2.gz ZUSSTTHKPSXDEL-CYBMUJFWSA-N 2 0 306.410 2.151 20 5 DEBDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841085045 650425936 /nfs/dbraw/zinc/42/59/36/650425936.db2.gz STVVKNRDHQFYRG-HIFRSBDPSA-N 2 0 318.421 2.281 20 5 DEBDRP C[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000843343619 650953575 /nfs/dbraw/zinc/95/35/75/650953575.db2.gz BDDGBSXFONNTED-LLVKDONJSA-N 2 0 300.362 2.487 20 5 DEBDRP C[C@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000818968514 647552963 /nfs/dbraw/zinc/55/29/63/647552963.db2.gz CSQOTGLEWQVDSO-PBHICJAKSA-N 2 0 321.421 2.340 20 5 DEBDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818990812 647559893 /nfs/dbraw/zinc/55/98/93/647559893.db2.gz OHXPCZFIBHTTFG-QGZVFWFLSA-N 2 0 321.421 2.340 20 5 DEBDRP C[C@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000819101561 647584070 /nfs/dbraw/zinc/58/40/70/647584070.db2.gz BDATZWFAHLTXTL-SWLSCSKDSA-N 2 0 309.410 2.194 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134666 647590538 /nfs/dbraw/zinc/59/05/38/647590538.db2.gz KSUAIIZPLJLNNQ-FMKPAKJESA-N 2 0 307.394 2.091 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000819266755 647621932 /nfs/dbraw/zinc/62/19/32/647621932.db2.gz HNGZELZMZQKDDR-QGZVFWFLSA-N 2 0 319.405 2.092 20 5 DEBDRP Cc1c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000873010048 689140220 /nfs/dbraw/zinc/14/02/20/689140220.db2.gz FRASKRDZHJETNN-UHFFFAOYSA-N 2 0 320.437 2.019 20 5 DEBDRP [NH3+]CCC[C@H]([NH3+])Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001159786806 789680039 /nfs/dbraw/zinc/68/00/39/789680039.db2.gz KMUVTYKHRJXQOK-LLVKDONJSA-N 2 0 309.757 2.232 20 5 DEBDRP CC[C@@H]([NH2+]C[C@]1(O)CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001578225472 1067024228 /nfs/dbraw/zinc/02/42/28/1067024228.db2.gz AWRRZSLOKFRWGI-CVEARBPZSA-N 2 0 307.394 2.140 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198288 1140872092 /nfs/dbraw/zinc/87/20/92/1140872092.db2.gz ORCXGUHUKCQHPW-OLZOCXBDSA-N 2 0 307.394 2.124 20 5 DEBDRP C[C@@H]1C[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@H]1C[NH3+] ZINC001246566789 1140969758 /nfs/dbraw/zinc/96/97/58/1140969758.db2.gz JRJJTZVAPOVNAY-HACGYAERSA-N 2 0 303.406 2.369 20 5 DEBDRP C[N@@H+]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC001254465852 1143129750 /nfs/dbraw/zinc/12/97/50/1143129750.db2.gz NLBQLKQILATLJC-CQSZACIVSA-N 2 0 318.421 2.105 20 5 DEBDRP C[NH2+][C@H](C)CC[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC001326075710 1148037997 /nfs/dbraw/zinc/03/79/97/1148037997.db2.gz LCWFFZPNBIXBJM-GFCCVEGCSA-N 2 0 317.393 2.083 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001326310981 1148074054 /nfs/dbraw/zinc/07/40/54/1148074054.db2.gz NCLXIVXXIVDJOI-UHFFFAOYSA-N 2 0 319.405 2.439 20 5 DEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC[NH+](C)C ZINC000349250139 146362569 /nfs/dbraw/zinc/36/25/69/146362569.db2.gz FNXTXOMDSKLPCO-KAMYIIQDSA-N 2 0 307.394 2.166 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000154980248 402240473 /nfs/dbraw/zinc/24/04/73/402240473.db2.gz LHVMMDJHYKLYMH-GJZGRUSLSA-N 2 0 320.437 2.190 20 5 DEBDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000269645896 403153373 /nfs/dbraw/zinc/15/33/73/403153373.db2.gz KXYQLLTXMFQMRC-QGZVFWFLSA-N 2 0 321.421 2.292 20 5 DEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344790526 404369895 /nfs/dbraw/zinc/36/98/95/404369895.db2.gz JIKVIHZQDYBXJV-GXDHUFHOSA-N 2 0 319.405 2.044 20 5 DEBDRP Cc1c(NC(=O)CC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cccc1[N+](=O)[O-] ZINC000424333267 405070363 /nfs/dbraw/zinc/07/03/63/405070363.db2.gz MBHBXZWRTQWWJG-TZMCWYRMSA-N 2 0 320.393 2.091 20 5 DEBDRP C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000420367330 405333884 /nfs/dbraw/zinc/33/38/84/405333884.db2.gz JYAVBNVHEKGHNM-BXUZGUMPSA-N 2 0 316.361 2.071 20 5 DEBDRP CC[NH2+]CC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000430567313 528290031 /nfs/dbraw/zinc/29/00/31/528290031.db2.gz UTLHVZHPNBVKBD-UHFFFAOYSA-N 2 0 307.394 2.295 20 5 DEBDRP C[NH+](C)CC1CC[NH+](Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 ZINC000738076817 637388742 /nfs/dbraw/zinc/38/87/42/637388742.db2.gz NQISHNBTYXRNTN-UHFFFAOYSA-N 2 0 317.393 2.176 20 5 DEBDRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000903791162 643456418 /nfs/dbraw/zinc/45/64/18/643456418.db2.gz PKHBRXIAKWLSIE-MRXNPFEDSA-N 2 0 321.421 2.325 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012945 687408417 /nfs/dbraw/zinc/40/84/17/687408417.db2.gz XBKMVKYMYOAJCK-HUUCEWRRSA-N 2 0 320.437 2.079 20 5 DEBDRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253224 689195063 /nfs/dbraw/zinc/19/50/63/689195063.db2.gz VHQMWPNJHZFRRU-BZUAXINKSA-N 2 0 319.405 2.150 20 5 DEBDRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873290442 689203198 /nfs/dbraw/zinc/20/31/98/689203198.db2.gz QJJIEMRFUCBHMG-BBRMVZONSA-N 2 0 319.405 2.404 20 5 DEBDRP CCC1([NH+](C)C)CCN(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000879285618 690610337 /nfs/dbraw/zinc/61/03/37/690610337.db2.gz BUEUHILMMOKFGH-MRXNPFEDSA-N 2 0 321.421 2.434 20 5 DEBDRP CC[N@H+]1C[C@@H]2C[NH+]([C@@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238397 793656946 /nfs/dbraw/zinc/65/69/46/793656946.db2.gz RFHYBMOTIPLDDW-CWRNSKLLSA-N 2 0 303.406 2.409 20 5 DEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc2ccc(Cl)nc2cc1[N+](=O)[O-] ZINC001159788466 798608218 /nfs/dbraw/zinc/60/82/18/798608218.db2.gz IOCKKTRFUBINFU-ZDUSSCGKSA-N 2 0 309.757 2.232 20 5 DEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246932008 1141138293 /nfs/dbraw/zinc/13/82/93/1141138293.db2.gz ONNSRAKOICFTLI-BMFZPTHFSA-N 2 0 303.406 2.457 20 5 DEBDRP CC1([NH3+])CC[NH+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001254469225 1143128883 /nfs/dbraw/zinc/12/88/83/1143128883.db2.gz IFZAHMLACNUZOS-UHFFFAOYSA-N 2 0 318.421 2.377 20 5 DEBDRP C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152469737 186076687 /nfs/dbraw/zinc/07/66/87/186076687.db2.gz RWDSEDXOWSZDOV-CQSZACIVSA-N 2 0 307.394 2.247 20 5 DEBDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320061200 356443752 /nfs/dbraw/zinc/44/37/52/356443752.db2.gz UTRFPJXEMCOKFK-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592484978 357884883 /nfs/dbraw/zinc/88/48/83/357884883.db2.gz LROKQBUWJOOUOL-UHFFFAOYSA-N 2 0 320.393 2.045 20 5 DEBDRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2[N+](=O)[O-])o1 ZINC000600773447 359825426 /nfs/dbraw/zinc/82/54/26/359825426.db2.gz IBSNZNNHEUREFS-UHFFFAOYSA-N 2 0 319.361 2.262 20 5 DEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000602795839 360559241 /nfs/dbraw/zinc/55/92/41/360559241.db2.gz APFRNQFYXGSKMW-UHFFFAOYSA-N 2 0 323.441 2.154 20 5 DEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000602773571 360546669 /nfs/dbraw/zinc/54/66/69/360546669.db2.gz RWYQODGFKWLCIL-UHFFFAOYSA-N 2 0 323.441 2.152 20 5 DEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656735 197291861 /nfs/dbraw/zinc/29/18/61/197291861.db2.gz NAJLAQSNVKWMPF-PBHICJAKSA-N 2 0 319.405 2.390 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357088618 147039366 /nfs/dbraw/zinc/03/93/66/147039366.db2.gz SYPGIPLYHNYILY-INIZCTEOSA-N 2 0 303.406 2.459 20 5 DEBDRP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000151839238 402059986 /nfs/dbraw/zinc/05/99/86/402059986.db2.gz YNZZCQULHPZODS-CQSZACIVSA-N 2 0 321.421 2.258 20 5 DEBDRP CC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193024011 402760835 /nfs/dbraw/zinc/76/08/35/402760835.db2.gz LFWZPDZXSNEVSN-KRWDZBQOSA-N 2 0 320.437 2.273 20 5 DEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccccc2[N+](=O)[O-])CC1 ZINC000451982169 405118066 /nfs/dbraw/zinc/11/80/66/405118066.db2.gz JOPPWVLXFMXRHU-UHFFFAOYSA-N 2 0 320.437 2.101 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420336926 405324365 /nfs/dbraw/zinc/32/43/65/405324365.db2.gz QPBHICQYNOLVQS-VMGRFDJRSA-N 2 0 319.405 2.484 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344229 405327027 /nfs/dbraw/zinc/32/70/27/405327027.db2.gz SEVIPROSHNBCKB-KBPBESRZSA-N 2 0 319.405 2.425 20 5 DEBDRP CCC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923328890 637111863 /nfs/dbraw/zinc/11/18/63/637111863.db2.gz XYNWDCGIXRCBRC-MRXNPFEDSA-N 2 0 307.394 2.092 20 5 DEBDRP C[C@@H](CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)[NH+](C)C ZINC000895296808 637900932 /nfs/dbraw/zinc/90/09/32/637900932.db2.gz QQYBLSHSPVAAMA-AWEZNQCLSA-N 2 0 320.437 2.493 20 5 DEBDRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841056600 650416319 /nfs/dbraw/zinc/41/63/19/650416319.db2.gz AEXRNKJSTBSYLJ-UKRRQHHQSA-N 2 0 318.421 2.423 20 5 DEBDRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841079585 650424883 /nfs/dbraw/zinc/42/48/83/650424883.db2.gz JWWQOYRKCIJGCN-ZDUSSCGKSA-N 2 0 306.410 2.281 20 5 DEBDRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818990904 647559676 /nfs/dbraw/zinc/55/96/76/647559676.db2.gz RUIXDGDXQNMWGA-QGZVFWFLSA-N 2 0 321.421 2.340 20 5 DEBDRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253226 689195058 /nfs/dbraw/zinc/19/50/58/689195058.db2.gz VHQMWPNJHZFRRU-OWCLPIDISA-N 2 0 319.405 2.150 20 5 DEBDRP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC000931433144 694393522 /nfs/dbraw/zinc/39/35/22/694393522.db2.gz QDFNBZVRERMGNK-CABCVRRESA-N 2 0 319.405 2.247 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc(C(F)(F)F)ccc1[N+](=O)[O-] ZINC001167877863 778741328 /nfs/dbraw/zinc/74/13/28/778741328.db2.gz FLPGKKGXAIWWGC-UHFFFAOYSA-N 2 0 319.287 2.289 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc([N+](=O)[O-])cc1C(F)(F)F ZINC001167877700 778741594 /nfs/dbraw/zinc/74/15/94/778741594.db2.gz AUPBGFGZMAXNFG-UHFFFAOYSA-N 2 0 319.287 2.289 20 5 DEBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539214 1140944531 /nfs/dbraw/zinc/94/45/31/1140944531.db2.gz FNAVYSMCBKIJEG-TZMCWYRMSA-N 2 0 307.394 2.348 20 5 DEBDRP C[NH+]1CCC2(CC[N@@H+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254602776 1143277596 /nfs/dbraw/zinc/27/75/96/1143277596.db2.gz ITBGXYPTEABKAY-KRWDZBQOSA-N 2 0 315.417 2.480 20 5 DEBDRP C[NH+]1CC2(C1)CC[NH+]([C@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609257 1143280158 /nfs/dbraw/zinc/28/01/58/1143280158.db2.gz UQRQIQMKHLEYCM-INIZCTEOSA-N 2 0 301.390 2.090 20 5 DEBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173319057 186176187 /nfs/dbraw/zinc/17/61/87/186176187.db2.gz MQNKXWDZVBRRSJ-OAHLLOKOSA-N 2 0 320.437 2.273 20 5 DEBDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1[N+](=O)[O-] ZINC000592469624 357882726 /nfs/dbraw/zinc/88/27/26/357882726.db2.gz WZZCQUOKDJWTNZ-MGPQQGTHSA-N 2 0 305.378 2.081 20 5 DEBDRP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648238 358732194 /nfs/dbraw/zinc/73/21/94/358732194.db2.gz MXZWERZSNWKPSR-OLZOCXBDSA-N 2 0 307.398 2.136 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000600765208 359823190 /nfs/dbraw/zinc/82/31/90/359823190.db2.gz UYNZTLCLCPXGFY-INIZCTEOSA-N 2 0 319.405 2.185 20 5 DEBDRP O=[N+]([O-])c1ccccc1N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359193354 285163570 /nfs/dbraw/zinc/16/35/70/285163570.db2.gz QUWHNVIESMFART-UHFFFAOYSA-N 2 0 318.421 2.107 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357094483 147041159 /nfs/dbraw/zinc/04/11/59/147041159.db2.gz YGSSISNBSBOLGR-HNNXBMFYSA-N 2 0 319.405 2.295 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358510385 147147898 /nfs/dbraw/zinc/14/78/98/147147898.db2.gz RJVWYDAPPIJOKH-UHFFFAOYSA-N 2 0 305.378 2.049 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000026728924 401841746 /nfs/dbraw/zinc/84/17/46/401841746.db2.gz UYMDZVZLXZFRAX-UHFFFAOYSA-N 2 0 312.373 2.355 20 5 DEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@H]21 ZINC000342100373 404367691 /nfs/dbraw/zinc/36/76/91/404367691.db2.gz JZSBAGHDLFVLDV-MGPQQGTHSA-N 2 0 305.378 2.033 20 5 DEBDRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779559 404732466 /nfs/dbraw/zinc/73/24/66/404732466.db2.gz KKNJHBDTIASNQY-LSDHHAIUSA-N 2 0 319.405 2.425 20 5 DEBDRP COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000430951824 405543986 /nfs/dbraw/zinc/54/39/86/405543986.db2.gz WLQKUOVIEHWTFO-UHFFFAOYSA-N 2 0 305.378 2.179 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423474433 405817425 /nfs/dbraw/zinc/81/74/25/405817425.db2.gz OUYMBTBLGDJGGQ-YJNKXOJESA-N 2 0 321.425 2.382 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[C@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000423345920 405771757 /nfs/dbraw/zinc/77/17/57/405771757.db2.gz OORRDBBUNVXFGD-INIZCTEOSA-N 2 0 301.390 2.425 20 5 DEBDRP CC(C)[NH2+]CCC[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000580062441 332921902 /nfs/dbraw/zinc/92/19/02/332921902.db2.gz AVYWOIGQCOYFSR-ZDUSSCGKSA-N 2 0 322.409 2.290 20 5 DEBDRP Cc1c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cccc1[N+](=O)[O-] ZINC000923452008 637189407 /nfs/dbraw/zinc/18/94/07/637189407.db2.gz DEJZTMSXOOIFAX-HNNXBMFYSA-N 2 0 319.405 2.233 20 5 DEBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ncc2ccc([N+](=O)[O-])cc21 ZINC000103462111 637884409 /nfs/dbraw/zinc/88/44/09/637884409.db2.gz NEJCQBNTJNDDTL-UHFFFAOYSA-N 2 0 317.393 2.176 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133356 647589651 /nfs/dbraw/zinc/58/96/51/647589651.db2.gz OOQRZMUFKVDIBZ-IMJJTQAJSA-N 2 0 307.394 2.091 20 5 DEBDRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819186183 647603808 /nfs/dbraw/zinc/60/38/08/647603808.db2.gz WEYONEJJEKRVQB-PGEKIEPBSA-N 2 0 321.421 2.338 20 5 DEBDRP CC(C)(C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000819260176 647619972 /nfs/dbraw/zinc/61/99/72/647619972.db2.gz PQRWTBPMDKGDPH-INIZCTEOSA-N 2 0 321.421 2.340 20 5 DEBDRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc([N+](=O)[O-])c1C ZINC000849092691 651600652 /nfs/dbraw/zinc/60/06/52/651600652.db2.gz AAXFIDFORBKLGX-AWEZNQCLSA-N 2 0 319.409 2.001 20 5 DEBDRP Cc1c(C[NH2+]CCCC[NH+]2CCOCC2)cccc1[N+](=O)[O-] ZINC000873014611 689141217 /nfs/dbraw/zinc/14/12/17/689141217.db2.gz UVXKMOUXLPSAPQ-UHFFFAOYSA-N 2 0 307.394 2.105 20 5 DEBDRP Cc1c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000873136016 689167879 /nfs/dbraw/zinc/16/78/79/689167879.db2.gz SAXPYEOGPAWRPX-AWEZNQCLSA-N 2 0 322.453 2.265 20 5 DEBDRP COCCC1([NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000873224784 689187992 /nfs/dbraw/zinc/18/79/92/689187992.db2.gz MDNBAGRXJZWDAZ-XQRVVYSFSA-N 2 0 319.405 2.356 20 5 DEBDRP Cc1ccc([N+](=O)[O-])c(C)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000877527289 690141592 /nfs/dbraw/zinc/14/15/92/690141592.db2.gz YDUIMIRPRZVVIP-UHFFFAOYSA-N 2 0 322.453 2.137 20 5 DEBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967616 784990229 /nfs/dbraw/zinc/99/02/29/784990229.db2.gz RHAAJHXFBDGYCG-JKSUJKDBSA-N 2 0 321.421 2.162 20 5 DEBDRP Cc1cc(N[C@@H]([NH3+])CCC[NH3+])c([N+](=O)[O-])cc1Br ZINC001170905109 789648981 /nfs/dbraw/zinc/64/89/81/789648981.db2.gz RUCWQMQZLQTCFO-LLVKDONJSA-N 2 0 317.187 2.101 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc2ccc3cccnc3c2n1 ZINC001157094591 798143060 /nfs/dbraw/zinc/14/30/60/798143060.db2.gz UMDSVKJPOAOMRV-UHFFFAOYSA-N 2 0 308.389 2.458 20 5 DEBDRP CC[N+](C)(C)Cc1ccccc1NC[C@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163172482 799269136 /nfs/dbraw/zinc/26/91/36/799269136.db2.gz SMADQBYZPRMEPS-ZHALLVOQSA-N 2 0 318.485 2.319 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198289 1140872370 /nfs/dbraw/zinc/87/23/70/1140872370.db2.gz ORCXGUHUKCQHPW-QWHCGFSZSA-N 2 0 307.394 2.124 20 5 DEBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539212 1140943360 /nfs/dbraw/zinc/94/33/60/1140943360.db2.gz FNAVYSMCBKIJEG-JSGCOSHPSA-N 2 0 307.394 2.348 20 5 DEBDRP COCC1(C[NH2+][C@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000423396902 230497112 /nfs/dbraw/zinc/49/71/12/230497112.db2.gz BSRQWBRDANBCCQ-CQSZACIVSA-N 2 0 321.421 2.132 20 5 DEBDRP C[C@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593730831 358132801 /nfs/dbraw/zinc/13/28/01/358132801.db2.gz HZWHYUBPRODLLZ-XJKSGUPXSA-N 2 0 307.394 2.423 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000596648227 358732129 /nfs/dbraw/zinc/73/21/29/358732129.db2.gz MNSBLXNWMIQBCN-GFCCVEGCSA-N 2 0 320.393 2.173 20 5 DEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[NH+]1CCOCC1 ZINC000449081816 240034535 /nfs/dbraw/zinc/03/45/35/240034535.db2.gz IEUPJRNGWDRFLW-OAHLLOKOSA-N 2 0 321.421 2.228 20 5 DEBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173296 285111533 /nfs/dbraw/zinc/11/15/33/285111533.db2.gz CCXLFGQWGWZZPM-XJKCOSOUSA-N 2 0 307.394 2.292 20 5 DEBDRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000185897718 402387572 /nfs/dbraw/zinc/38/75/72/402387572.db2.gz MNPZMQPYMPYFCP-UHFFFAOYSA-N 2 0 320.437 2.101 20 5 DEBDRP C[C@H](C[NH2+][C@H](C)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000173384688 402695343 /nfs/dbraw/zinc/69/53/43/402695343.db2.gz GOJDLAQHQCLUCH-HUUCEWRRSA-N 2 0 320.437 2.129 20 5 DEBDRP COCC1(C[NH2+]Cc2ccc(C)c([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000414959169 404776374 /nfs/dbraw/zinc/77/63/74/404776374.db2.gz RWTWGJAJCPCSII-UHFFFAOYSA-N 2 0 307.394 2.009 20 5 DEBDRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415023502 404789411 /nfs/dbraw/zinc/78/94/11/404789411.db2.gz MYSBWVVEZMATBA-RYUDHWBXSA-N 2 0 308.382 2.029 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000415123605 404813071 /nfs/dbraw/zinc/81/30/71/404813071.db2.gz LLVNXGLTOBGGFM-NVXWUHKLSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+]C1CC[NH+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)CC1 ZINC000430637190 405473250 /nfs/dbraw/zinc/47/32/50/405473250.db2.gz KRRKPPFAXWJTPT-UHFFFAOYSA-N 2 0 316.361 2.215 20 5 DEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000422624988 230156400 /nfs/dbraw/zinc/15/64/00/230156400.db2.gz AGUISUWXPPPBLA-MGPQQGTHSA-N 2 0 307.394 2.279 20 5 DEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422625818 230158994 /nfs/dbraw/zinc/15/89/94/230158994.db2.gz COWQMRIZSNAOPU-MGPQQGTHSA-N 2 0 307.394 2.279 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984350 647557589 /nfs/dbraw/zinc/55/75/89/647557589.db2.gz FJVCOHQLIQNBPN-PBHICJAKSA-N 2 0 321.421 2.338 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984206 647558113 /nfs/dbraw/zinc/55/81/13/647558113.db2.gz ANRBDLOREQZVAU-WMLDXEAASA-N 2 0 321.421 2.338 20 5 DEBDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819105939 647584644 /nfs/dbraw/zinc/58/46/44/647584644.db2.gz KPLIFCPQJMDURV-QGZVFWFLSA-N 2 0 321.421 2.340 20 5 DEBDRP C[NH+](C)CC[C@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877035760 690004050 /nfs/dbraw/zinc/00/40/50/690004050.db2.gz AGZQBVZMKBZARV-PIMMBPRGSA-N 2 0 323.441 2.451 20 5 DEBDRP Cc1c(C)c(-n2cc(CC[NH3+])c3c[nH+]ccc32)ncc1[N+](=O)[O-] ZINC001160950116 798768899 /nfs/dbraw/zinc/76/88/99/798768899.db2.gz JGWHVWUQLPFPDG-UHFFFAOYSA-N 2 0 311.345 2.447 20 5 DEBDRP Cc1cc([N+](=O)[O-])c(NCCC[NH2+]CCCC[NH3+])nc1Cl ZINC001162290474 799052228 /nfs/dbraw/zinc/05/22/28/799052228.db2.gz VZGSZUUVOKALDL-UHFFFAOYSA-N 2 0 315.805 2.082 20 5 DEBDRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1O ZINC001579152807 1067244391 /nfs/dbraw/zinc/24/43/91/1067244391.db2.gz IQECRFIBHJRIOP-LBPRGKRZSA-N 2 0 323.393 2.178 20 5 DEBDRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608214 1143278737 /nfs/dbraw/zinc/27/87/37/1143278737.db2.gz PRGIIGPJQJXRQN-IAGOWNOFSA-N 2 0 301.390 2.090 20 5 DEBDRP CCC[N@H+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610521 1143282668 /nfs/dbraw/zinc/28/26/68/1143282668.db2.gz KLFCFTGZIHRVPP-SOLBZPMBSA-N 2 0 315.417 2.336 20 5 DEBDRP Cc1cc(N(CCC[NH+](C)C)CCC[NH+](C)C)ncc1[N+](=O)[O-] ZINC000081010213 192212400 /nfs/dbraw/zinc/21/24/00/192212400.db2.gz PZGQJHFGUFSTMR-UHFFFAOYSA-N 2 0 323.441 2.008 20 5 DEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@H]21 ZINC000247922508 145144499 /nfs/dbraw/zinc/14/44/99/145144499.db2.gz BIJDQZAUICEYQO-WMLDXEAASA-N 2 0 319.405 2.390 20 5 DEBDRP Cc1c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000127556553 401739931 /nfs/dbraw/zinc/73/99/31/401739931.db2.gz IZQSSTZAVCHAGK-DZGCQCFKSA-N 2 0 320.437 2.190 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266891565 402997472 /nfs/dbraw/zinc/99/74/72/402997472.db2.gz DAKHVQZXHYZEJE-HNNXBMFYSA-N 2 0 320.437 2.225 20 5 DEBDRP COc1cc(C[NH2+][C@@H](C)CCCC[NH3+])c([N+](=O)[O-])cc1OC ZINC000415008663 404787256 /nfs/dbraw/zinc/78/72/56/404787256.db2.gz DFGANFYPWMVFIX-NSHDSACASA-N 2 0 311.382 2.219 20 5 DEBDRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117960 404811728 /nfs/dbraw/zinc/81/17/28/404811728.db2.gz DMIBAXKNYCCBBI-DOTOQJQBSA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321586 405318365 /nfs/dbraw/zinc/31/83/65/405318365.db2.gz CXTFXKZKVNQPPJ-JKSUJKDBSA-N 2 0 303.406 2.459 20 5 DEBDRP COCC1(C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423395587 405788181 /nfs/dbraw/zinc/78/81/81/405788181.db2.gz RBEJFWICSBCITI-CYBMUJFWSA-N 2 0 307.394 2.262 20 5 DEBDRP C[C@H]([NH2+]CCn1ccc([N+](=O)[O-])n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185682899 333211795 /nfs/dbraw/zinc/21/17/95/333211795.db2.gz QBSCOGIHPYJTNP-KBPBESRZSA-N 2 0 321.425 2.034 20 5 DEBDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160149699 525348844 /nfs/dbraw/zinc/34/88/44/525348844.db2.gz HMXLTAYVCQOCRC-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP CC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336425 637122313 /nfs/dbraw/zinc/12/23/13/637122313.db2.gz SDYXGGVSYDDSIJ-HOCLYGCPSA-N 2 0 307.394 2.092 20 5 DEBDRP CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000923336424 637122440 /nfs/dbraw/zinc/12/24/40/637122440.db2.gz SDYXGGVSYDDSIJ-GOEBONIOSA-N 2 0 307.394 2.092 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000923364788 637138017 /nfs/dbraw/zinc/13/80/17/637138017.db2.gz OJXWWFLLJDBJLW-IAGOWNOFSA-N 2 0 319.405 2.092 20 5 DEBDRP C[C@H]1CC2(C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383020 637149555 /nfs/dbraw/zinc/14/95/55/637149555.db2.gz GMXDFHRBJXDOCH-XJKSGUPXSA-N 2 0 319.405 2.092 20 5 DEBDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000923450265 637188156 /nfs/dbraw/zinc/18/81/56/637188156.db2.gz TYCYDMSCNWKIFO-AWEZNQCLSA-N 2 0 323.368 2.064 20 5 DEBDRP C[NH+](C)CC1CC[NH+](Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 ZINC000738074584 637388152 /nfs/dbraw/zinc/38/81/52/637388152.db2.gz CLWZHOVPPAAUHQ-UHFFFAOYSA-N 2 0 317.393 2.176 20 5 DEBDRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841005784 640569242 /nfs/dbraw/zinc/56/92/42/640569242.db2.gz KBORMCPVTINOLW-HUUCEWRRSA-N 2 0 318.421 2.105 20 5 DEBDRP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209928 641876896 /nfs/dbraw/zinc/87/68/96/641876896.db2.gz PQYQDDBPCJDLHR-RBSFLKMASA-N 2 0 321.425 2.349 20 5 DEBDRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622766 643629451 /nfs/dbraw/zinc/62/94/51/643629451.db2.gz CKFAWDVVULZOLJ-TZMCWYRMSA-N 2 0 324.425 2.184 20 5 DEBDRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411235 643661901 /nfs/dbraw/zinc/66/19/01/643661901.db2.gz KFYTXYHGWZXHRH-NWDGAFQWSA-N 2 0 323.393 2.029 20 5 DEBDRP C[NH+](C)CC1(C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819226611 647612033 /nfs/dbraw/zinc/61/20/33/647612033.db2.gz HBOJLPCRYRBGDS-MRXNPFEDSA-N 2 0 321.421 2.340 20 5 DEBDRP [NH3+]CCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000846218512 651315773 /nfs/dbraw/zinc/31/57/73/651315773.db2.gz WAWJABFLNZAHBQ-UHFFFAOYSA-N 2 0 306.410 2.236 20 5 DEBDRP COCCC1([NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000873224783 689187723 /nfs/dbraw/zinc/18/77/23/689187723.db2.gz MDNBAGRXJZWDAZ-GQCTYLIASA-N 2 0 319.405 2.356 20 5 DEBDRP CC[NH+](CC)CC[C@@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000883160089 691444398 /nfs/dbraw/zinc/44/43/98/691444398.db2.gz FSCGTROLWONCIF-HNNXBMFYSA-N 2 0 323.437 2.394 20 5 DEBDRP CCC1([NH3+])CC[NH+]([C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757141 693336442 /nfs/dbraw/zinc/33/64/42/693336442.db2.gz CZGVJFUHZGQPRE-KGLIPLIRSA-N 2 0 321.425 2.478 20 5 DEBDRP CC[N+](C)(C)Cc1ccccc1NCCC[NH+]1CCN(C)CC1 ZINC001161708907 783292679 /nfs/dbraw/zinc/29/26/79/783292679.db2.gz XCQRFGIAWHRBMI-UHFFFAOYSA-N 2 0 319.517 2.332 20 5 DEBDRP C[NH+]1CCC(C2CC[NH+]([C@@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169034000 785011497 /nfs/dbraw/zinc/01/14/97/785011497.db2.gz DYTNZXNALKCDSW-WMLDXEAASA-N 2 0 309.454 2.486 20 5 DEBDRP Cc1cc(C)c([N+](=O)[O-])c(-n2cc(CC[NH3+])c3c[nH+]ccc32)n1 ZINC001160949723 798768320 /nfs/dbraw/zinc/76/83/20/798768320.db2.gz BMSFKUOLHGTPPR-UHFFFAOYSA-N 2 0 311.345 2.447 20 5 DEBDRP C[NH+](C)CCOc1cc(N[C@H]2CCC[C@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001162400958 799078723 /nfs/dbraw/zinc/07/87/23/799078723.db2.gz JNWVVYHJQLJSJH-STQMWFEESA-N 2 0 322.409 2.217 20 5 DEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942975 1141155209 /nfs/dbraw/zinc/15/52/09/1141155209.db2.gz SASMRHHTNDUSTO-CWRNSKLLSA-N 2 0 303.406 2.457 20 5 DEBDRP C[C@H](C[NH3+])C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470156 1143130051 /nfs/dbraw/zinc/13/00/51/1143130051.db2.gz QBNSTSBVXZLHGI-CYBMUJFWSA-N 2 0 306.410 2.090 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591578335 357738478 /nfs/dbraw/zinc/73/84/78/357738478.db2.gz RIFSCICYUJPBKR-CHWSQXEVSA-N 2 0 320.393 2.044 20 5 DEBDRP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C[C@@H]1CCC[NH+](C)C1 ZINC000152474758 402097829 /nfs/dbraw/zinc/09/78/29/402097829.db2.gz MGLXIFOZUUWGJM-CQSZACIVSA-N 2 0 307.394 2.247 20 5 DEBDRP CC[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063530 402243684 /nfs/dbraw/zinc/24/36/84/402243684.db2.gz HECCWZXBZDTXTK-RHSMWYFYSA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178975085 402561157 /nfs/dbraw/zinc/56/11/57/402561157.db2.gz KIDYVPZZAALKGU-UHFFFAOYSA-N 2 0 319.405 2.438 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000566414392 292236777 /nfs/dbraw/zinc/23/67/77/292236777.db2.gz ZPMBPJDPRHWLPP-QWHCGFSZSA-N 2 0 320.393 2.043 20 5 DEBDRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672276 403155938 /nfs/dbraw/zinc/15/59/38/403155938.db2.gz VCKPCFCLERYHEI-WMLDXEAASA-N 2 0 321.421 2.292 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000345187576 404602381 /nfs/dbraw/zinc/60/23/81/404602381.db2.gz OWWHILDRSLDQTN-UHFFFAOYSA-N 2 0 305.378 2.345 20 5 DEBDRP CC[N@H+](CCOc1ccccc1[N+](=O)[O-])[C@@H]1CCC[NH2+]CC1 ZINC000435615168 404995613 /nfs/dbraw/zinc/99/56/13/404995613.db2.gz GVBQOGNOEQVWBE-CQSZACIVSA-N 2 0 307.394 2.438 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321032 405318435 /nfs/dbraw/zinc/31/84/35/405318435.db2.gz CDSBSIPYVHJSRP-CABCVRRESA-N 2 0 319.405 2.295 20 5 DEBDRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1[N+](=O)[O-] ZINC000433142077 405878736 /nfs/dbraw/zinc/87/87/36/405878736.db2.gz ROCFCVMXMOWDLC-UHFFFAOYSA-N 2 0 320.393 2.045 20 5 DEBDRP C[C@H](C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+](C)C ZINC000425943685 278210700 /nfs/dbraw/zinc/21/07/00/278210700.db2.gz JOVMFHOBMSAFNG-RDBSUJKOSA-N 2 0 309.414 2.062 20 5 DEBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130125 295302690 /nfs/dbraw/zinc/30/26/90/295302690.db2.gz QLMYSJDMSRITDK-IAGOWNOFSA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895292297 637896537 /nfs/dbraw/zinc/89/65/37/637896537.db2.gz AXVXLDLNFHDVFB-STQMWFEESA-N 2 0 322.409 2.242 20 5 DEBDRP Cn1cc(C[NH2+]CCC(C)(C)[NH3+])c(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000903939150 643508022 /nfs/dbraw/zinc/50/80/22/643508022.db2.gz RPBVCASJHQIASS-UHFFFAOYSA-N 2 0 317.393 2.212 20 5 DEBDRP C[NH+]1CCC(C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC1 ZINC000788475737 643614496 /nfs/dbraw/zinc/61/44/96/643614496.db2.gz VPAXGLTVAWFSIZ-UHFFFAOYSA-N 2 0 318.421 2.059 20 5 DEBDRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000873288958 689203226 /nfs/dbraw/zinc/20/32/26/689203226.db2.gz DFECEGSXBDASQN-BBRMVZONSA-N 2 0 319.405 2.404 20 5 DEBDRP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCN4CCCC[C@@H]34)C2)c1 ZINC000877619062 690168883 /nfs/dbraw/zinc/16/88/83/690168883.db2.gz MZDCCGCTMHEKLA-BGHVQYPCSA-N 2 0 319.409 2.101 20 5 DEBDRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000878867619 690517223 /nfs/dbraw/zinc/51/72/23/690517223.db2.gz VGWXMBUTIWDKEW-INIZCTEOSA-N 2 0 319.405 2.046 20 5 DEBDRP [NH3+][C@@H](CO)Cc1cncn1-c1nc2ccccc2c2ccccc21 ZINC001169076381 785028717 /nfs/dbraw/zinc/02/87/17/785028717.db2.gz QZZALNKEWUCHGK-CYBMUJFWSA-N 2 0 318.380 2.436 20 5 DEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001173235919 793647476 /nfs/dbraw/zinc/64/74/76/793647476.db2.gz WAZDMXQEIXNVGT-HNNXBMFYSA-N 2 0 322.453 2.128 20 5 DEBDRP [NH3+]CCCC[NH2+]CCCNc1ccc2ccc([N+](=O)[O-])cc2n1 ZINC001162289883 799051617 /nfs/dbraw/zinc/05/16/17/799051617.db2.gz CHDHXPZIORTAAM-UHFFFAOYSA-N 2 0 317.393 2.274 20 5 DEBDRP COc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1[N+](=O)[O-] ZINC000592469622 357882699 /nfs/dbraw/zinc/88/26/99/357882699.db2.gz WZZCQUOKDJWTNZ-HZSPNIEDSA-N 2 0 305.378 2.081 20 5 DEBDRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154311009 402205496 /nfs/dbraw/zinc/20/54/96/402205496.db2.gz QYKIJTOQRMAMDE-OAHLLOKOSA-N 2 0 320.437 2.273 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000336852887 403926206 /nfs/dbraw/zinc/92/62/06/403926206.db2.gz AGDDIJDWUKHWML-ZDUSSCGKSA-N 2 0 307.394 2.486 20 5 DEBDRP CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000435631045 404998706 /nfs/dbraw/zinc/99/87/06/404998706.db2.gz ZNLNGNASHWTCAU-CQSZACIVSA-N 2 0 307.394 2.438 20 5 DEBDRP O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000420308114 405313537 /nfs/dbraw/zinc/31/35/37/405313537.db2.gz CLFYEDOJCFTYMB-OAHLLOKOSA-N 2 0 318.421 2.107 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331091 405322159 /nfs/dbraw/zinc/32/21/59/405322159.db2.gz QPCUGOJONOOBLQ-DZGCQCFKSA-N 2 0 319.405 2.343 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405073 405345392 /nfs/dbraw/zinc/34/53/92/405345392.db2.gz SQLPIDBLFNFGCE-RHSMWYFYSA-N 2 0 319.405 2.438 20 5 DEBDRP CC1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423321041 405760560 /nfs/dbraw/zinc/76/05/60/405760560.db2.gz FWYJTTALFXXIHV-KGLIPLIRSA-N 2 0 321.425 2.254 20 5 DEBDRP C[C@@H]1C[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422625623 230158901 /nfs/dbraw/zinc/15/89/01/230158901.db2.gz CAWYXEWKIYOTJX-HZSPNIEDSA-N 2 0 307.394 2.279 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485518 633770606 /nfs/dbraw/zinc/77/06/06/633770606.db2.gz LULWVXNFZUPIJV-CYBMUJFWSA-N 2 0 307.394 2.044 20 5 DEBDRP C[C@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841062199 650418828 /nfs/dbraw/zinc/41/88/28/650418828.db2.gz SWXYYCFWRWRRLG-DZGCQCFKSA-N 2 0 318.421 2.294 20 5 DEBDRP C[C@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873271115 689199188 /nfs/dbraw/zinc/19/91/88/689199188.db2.gz DUIDVUXAAAKCDU-NWANDNLSSA-N 2 0 321.425 2.253 20 5 DEBDRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc([N+](=O)[O-])cc1 ZINC000873288960 689203076 /nfs/dbraw/zinc/20/30/76/689203076.db2.gz DFECEGSXBDASQN-CZUORRHYSA-N 2 0 319.405 2.404 20 5 DEBDRP CC[NH+]1CCC(CC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877064142 690010907 /nfs/dbraw/zinc/01/09/07/690010907.db2.gz NSBREHPYUROYLY-UHFFFAOYSA-N 2 0 321.425 2.206 20 5 DEBDRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878867553 690517351 /nfs/dbraw/zinc/51/73/51/690517351.db2.gz USJSEWNBQWIAAR-MRXNPFEDSA-N 2 0 319.405 2.046 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886838270 692207095 /nfs/dbraw/zinc/20/70/95/692207095.db2.gz URCUXYYNYNRZAV-KBPBESRZSA-N 2 0 304.394 2.201 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838273 692207119 /nfs/dbraw/zinc/20/71/19/692207119.db2.gz URCUXYYNYNRZAV-ZIAGYGMSSA-N 2 0 304.394 2.201 20 5 DEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC001168967738 784990433 /nfs/dbraw/zinc/99/04/33/784990433.db2.gz SVQWPKSGBGNYSH-GJZGRUSLSA-N 2 0 300.362 2.407 20 5 DEBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168967614 784990478 /nfs/dbraw/zinc/99/04/78/784990478.db2.gz RHAAJHXFBDGYCG-HOTGVXAUSA-N 2 0 321.421 2.162 20 5 DEBDRP C[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899716 793522587 /nfs/dbraw/zinc/52/25/87/793522587.db2.gz OWTVANSDTUSZQI-XJKSGUPXSA-N 2 0 303.406 2.384 20 5 DEBDRP [NH3+]CCc1cn(-c2nccc(Cl)c2[N+](=O)[O-])c2cc[nH+]cc12 ZINC001160944358 798766962 /nfs/dbraw/zinc/76/69/62/798766962.db2.gz GJKMZWUUIVGOHY-UHFFFAOYSA-N 2 0 317.736 2.483 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198287 1140872204 /nfs/dbraw/zinc/87/22/04/1140872204.db2.gz ORCXGUHUKCQHPW-CHWSQXEVSA-N 2 0 307.394 2.124 20 5 DEBDRP [NH3+][C@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246540544 1140943761 /nfs/dbraw/zinc/94/37/61/1140943761.db2.gz GYQSKTYIUJTTPF-AWEZNQCLSA-N 2 0 318.421 2.377 20 5 DEBDRP COc1ccc(C[C@@H](C)[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246542520 1140947060 /nfs/dbraw/zinc/94/70/60/1140947060.db2.gz PXGRPBPVCFHAJU-OUCADQQQSA-N 2 0 307.394 2.061 20 5 DEBDRP C[NH+]1CCC2(C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254606892 1143278200 /nfs/dbraw/zinc/27/82/00/1143278200.db2.gz JEFVXYNWDHNKTM-MRXNPFEDSA-N 2 0 301.390 2.090 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591278466 357699448 /nfs/dbraw/zinc/69/94/48/357699448.db2.gz DOZRZROTXSQCAI-STQMWFEESA-N 2 0 320.393 2.044 20 5 DEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591578338 357737714 /nfs/dbraw/zinc/73/77/14/357737714.db2.gz RIFSCICYUJPBKR-STQMWFEESA-N 2 0 320.393 2.044 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCCC1 ZINC000594738637 358330559 /nfs/dbraw/zinc/33/05/59/358330559.db2.gz JAKPGHHLKYLEPY-LBPRGKRZSA-N 2 0 320.393 2.173 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357078120 285164227 /nfs/dbraw/zinc/16/42/27/285164227.db2.gz BDAICAVDFRKVIN-HNNXBMFYSA-N 2 0 319.405 2.295 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000423473281 296518592 /nfs/dbraw/zinc/51/85/92/296518592.db2.gz GQHQRIXEVDVMCI-QLFBSQMISA-N 2 0 321.425 2.397 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357088620 147038993 /nfs/dbraw/zinc/03/89/93/147038993.db2.gz SYPGIPLYHNYILY-MRXNPFEDSA-N 2 0 303.406 2.459 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000566414391 292236472 /nfs/dbraw/zinc/23/64/72/292236472.db2.gz ZPMBPJDPRHWLPP-OLZOCXBDSA-N 2 0 320.393 2.043 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344059337 403882785 /nfs/dbraw/zinc/88/27/85/403882785.db2.gz LPXOXYJPMUTLLS-OAHLLOKOSA-N 2 0 322.453 2.471 20 5 DEBDRP CCCC[N@H+](C)CC1CC[NH+](CCn2cc([N+](=O)[O-])cn2)CC1 ZINC000350166935 404338680 /nfs/dbraw/zinc/33/86/80/404338680.db2.gz VNQRJDIPQAAIMQ-UHFFFAOYSA-N 2 0 323.441 2.235 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414956249 404775571 /nfs/dbraw/zinc/77/55/71/404775571.db2.gz VBYAHBJUGGXLME-YRGRVCCFSA-N 2 0 320.393 2.042 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332247 405322660 /nfs/dbraw/zinc/32/26/60/405322660.db2.gz RRPGZOZAHDLAOO-GJZGRUSLSA-N 2 0 319.405 2.295 20 5 DEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCNCC1(F)F ZINC000423480059 405818972 /nfs/dbraw/zinc/81/89/72/405818972.db2.gz ORZSUJZQXAUVIJ-AAEUAGOBSA-N 2 0 313.348 2.360 20 5 DEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CCC[NH2+]C1CC1 ZINC000423527407 405843688 /nfs/dbraw/zinc/84/36/88/405843688.db2.gz MJIONSSMYFIJGR-LBPRGKRZSA-N 2 0 320.393 2.044 20 5 DEBDRP C[C@H]1C[C@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678435 274620414 /nfs/dbraw/zinc/62/04/14/274620414.db2.gz XWSNPHNFPXXUAD-LSDHHAIUSA-N 2 0 318.421 2.105 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841056596 650416321 /nfs/dbraw/zinc/41/63/21/650416321.db2.gz AEXRNKJSTBSYLJ-HIFRSBDPSA-N 2 0 318.421 2.423 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000841057401 641499056 /nfs/dbraw/zinc/49/90/56/641499056.db2.gz KNCPRSMIYVMGLS-CQSZACIVSA-N 2 0 318.421 2.295 20 5 DEBDRP O=[N+]([O-])CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207806 643831277 /nfs/dbraw/zinc/83/12/77/643831277.db2.gz IUQCTCJNUVJLME-IXDOHACOSA-N 2 0 303.406 2.153 20 5 DEBDRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873290443 689203399 /nfs/dbraw/zinc/20/33/99/689203399.db2.gz QJJIEMRFUCBHMG-CJNGLKHVSA-N 2 0 319.405 2.404 20 5 DEBDRP CC(C)(C)[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876948782 689980183 /nfs/dbraw/zinc/98/01/83/689980183.db2.gz PARCDYGRYHMNDR-UHFFFAOYSA-N 2 0 321.425 2.347 20 5 DEBDRP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000925842027 693351134 /nfs/dbraw/zinc/35/11/34/693351134.db2.gz WPFDTGFVLZOXPR-IUIKQTSFSA-N 2 0 304.394 2.360 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170299133 786893784 /nfs/dbraw/zinc/89/37/84/786893784.db2.gz QPNDBCXVIQSYSC-FPMFFAJLSA-N 2 0 307.394 2.394 20 5 DEBDRP [NH3+][C@@H]1CCCC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001246475312 1140915641 /nfs/dbraw/zinc/91/56/41/1140915641.db2.gz DUWYGIBBOPOXTA-SJORKVTESA-N 2 0 318.421 2.423 20 5 DEBDRP C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1C[NH3+] ZINC001246558643 1140964988 /nfs/dbraw/zinc/96/49/88/1140964988.db2.gz NTCGBVBHGQCIRZ-MRRJBJDNSA-N 2 0 303.406 2.369 20 5 DEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@H+]1C[C@@H]2CC[NH2+]CC[C@@H]2C1 ZINC001246942973 1141158663 /nfs/dbraw/zinc/15/86/63/1141158663.db2.gz SASMRHHTNDUSTO-BMFZPTHFSA-N 2 0 303.406 2.457 20 5 DEBDRP C[NH+]1CC2(C1)CC[NH+]([C@@H]1Cc3ccc([N+](=O)[O-])cc3C1)CC2 ZINC001254609258 1143279538 /nfs/dbraw/zinc/27/95/38/1143279538.db2.gz UQRQIQMKHLEYCM-MRXNPFEDSA-N 2 0 301.390 2.090 20 5 DEBDRP C[NH2+][C@H](C)CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001326037485 1148034045 /nfs/dbraw/zinc/03/40/45/1148034045.db2.gz LITDQXYKQQXQOL-CYBMUJFWSA-N 2 0 306.410 2.151 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CC1([NH3+])CCCC1 ZINC000594738636 358330228 /nfs/dbraw/zinc/33/02/28/358330228.db2.gz JAKPGHHLKYLEPY-GFCCVEGCSA-N 2 0 320.393 2.173 20 5 DEBDRP C[N@H+](CCOCC[NH3+])Cc1ccc(-c2cccc([N+](=O)[O-])c2)o1 ZINC000600773501 359825590 /nfs/dbraw/zinc/82/55/90/359825590.db2.gz IMZNHWKKVOTDQN-UHFFFAOYSA-N 2 0 319.361 2.262 20 5 DEBDRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127676520 195900389 /nfs/dbraw/zinc/90/03/89/195900389.db2.gz KFKSHDKZZXCRNQ-PBHICJAKSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@H]1C[C@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694069 146126141 /nfs/dbraw/zinc/12/61/41/146126141.db2.gz RRXVOQXPHZDLGU-VHSXEESVSA-N 2 0 315.320 2.365 20 5 DEBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346982222 146174062 /nfs/dbraw/zinc/17/40/62/146174062.db2.gz MVRFWKOOJYZBPW-CQSZACIVSA-N 2 0 319.405 2.438 20 5 DEBDRP Cc1c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000127556811 401740011 /nfs/dbraw/zinc/74/00/11/401740011.db2.gz IZQSSTZAVCHAGK-ZFWWWQNUSA-N 2 0 320.437 2.190 20 5 DEBDRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127676962 401745031 /nfs/dbraw/zinc/74/50/31/401745031.db2.gz KFKSHDKZZXCRNQ-YOEHRIQHSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000160741020 402359094 /nfs/dbraw/zinc/35/90/94/402359094.db2.gz WVRZMDCXBROBBG-RHSMWYFYSA-N 2 0 321.421 2.482 20 5 DEBDRP Cc1c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cccc1[N+](=O)[O-] ZINC000288795660 403770669 /nfs/dbraw/zinc/77/06/69/403770669.db2.gz CPULKYZMVVHIBB-UHFFFAOYSA-N 2 0 322.453 2.219 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000414815310 404740945 /nfs/dbraw/zinc/74/09/45/404740945.db2.gz XDECVYOWZCKMIU-LBPRGKRZSA-N 2 0 322.409 2.419 20 5 DEBDRP C[C@H]1C[C@@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696504 404710714 /nfs/dbraw/zinc/71/07/14/404710714.db2.gz GCPQYBDLXJJKKY-GJZGRUSLSA-N 2 0 318.421 2.105 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405074 405345567 /nfs/dbraw/zinc/34/55/67/405345567.db2.gz SQLPIDBLFNFGCE-WMLDXEAASA-N 2 0 319.405 2.438 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431041811 405566771 /nfs/dbraw/zinc/56/67/71/405566771.db2.gz ZNXVUWMUMOVHLY-UHFFFAOYSA-N 2 0 305.378 2.179 20 5 DEBDRP CCC[N@H+](CCOc1ccccc1[N+](=O)[O-])C1CC[NH2+]CC1 ZINC000431073636 405572196 /nfs/dbraw/zinc/57/21/96/405572196.db2.gz ZHGXEIIQQMMPRZ-UHFFFAOYSA-N 2 0 307.394 2.438 20 5 DEBDRP C[C@]1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344742 405769277 /nfs/dbraw/zinc/76/92/77/405769277.db2.gz ONCBBLVSPWZIHZ-LZWOXQAQSA-N 2 0 321.425 2.254 20 5 DEBDRP Cc1c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cccc1[N+](=O)[O-] ZINC000433114681 405869814 /nfs/dbraw/zinc/86/98/14/405869814.db2.gz GTYBOGYAISXWJZ-UHFFFAOYSA-N 2 0 320.393 2.045 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127554423 281860408 /nfs/dbraw/zinc/86/04/08/281860408.db2.gz UGHJSIFYCWLCPS-CABCVRRESA-N 2 0 320.437 2.190 20 5 DEBDRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362963 535592979 /nfs/dbraw/zinc/59/29/79/535592979.db2.gz DGVLDFKLIHKZBS-ZBFHGGJFSA-N 2 0 323.441 2.282 20 5 DEBDRP C[C@@H]1C[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841062201 650418785 /nfs/dbraw/zinc/41/87/85/650418785.db2.gz SWXYYCFWRWRRLG-UKRRQHHQSA-N 2 0 318.421 2.294 20 5 DEBDRP COc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000903976815 643532844 /nfs/dbraw/zinc/53/28/44/643532844.db2.gz BTGONPYNZJMQJN-VXGBXAGGSA-N 2 0 323.393 2.029 20 5 DEBDRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411234 643661947 /nfs/dbraw/zinc/66/19/47/643661947.db2.gz KFYTXYHGWZXHRH-NEPJUHHUSA-N 2 0 323.393 2.029 20 5 DEBDRP C[C@@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000819102603 647583795 /nfs/dbraw/zinc/58/37/95/647583795.db2.gz MYCLLWYECHXDPL-DOMZBBRYSA-N 2 0 309.410 2.194 20 5 DEBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc([N+](=O)[O-])c1C ZINC000873073700 689154471 /nfs/dbraw/zinc/15/44/71/689154471.db2.gz CGIWRJBKRXCFPL-HNNXBMFYSA-N 2 0 309.410 2.350 20 5 DEBDRP C[NH+](C)CCOc1cc(N[C@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001162400956 799078746 /nfs/dbraw/zinc/07/87/46/799078746.db2.gz JNWVVYHJQLJSJH-OLZOCXBDSA-N 2 0 322.409 2.217 20 5 DEBDRP CC[NH+]1CCC(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 ZINC001205551172 800374916 /nfs/dbraw/zinc/37/49/16/800374916.db2.gz MPMUUPXTOTVWNB-UHFFFAOYSA-N 2 0 317.393 2.293 20 5 DEBDRP C[N+](C)(C)CCOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224775697 802902463 /nfs/dbraw/zinc/90/24/63/802902463.db2.gz MWEGDKIPGNYHCH-SFHVURJKSA-N 2 0 307.458 2.000 20 5 DEBDRP COc1ccc(OCC[NH+]2CCC([C@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430962080 237534350 /nfs/dbraw/zinc/53/43/50/237534350.db2.gz PHDVZVIGFBWSBV-LBPRGKRZSA-N 2 0 323.393 2.041 20 5 DEBDRP C[C@@H](C[NH2+][C@@H]1CCc2c1cccc2[N+](=O)[O-])CN1CCOCC1 ZINC000581379988 357178141 /nfs/dbraw/zinc/17/81/41/357178141.db2.gz DEUGYACGANAHCX-XJKSGUPXSA-N 2 0 319.405 2.140 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591578336 357737592 /nfs/dbraw/zinc/73/75/92/357737592.db2.gz RIFSCICYUJPBKR-OLZOCXBDSA-N 2 0 320.393 2.044 20 5 DEBDRP C[NH+]1CCC(C[NH2+]Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000602546797 360427281 /nfs/dbraw/zinc/42/72/81/360427281.db2.gz WYLWPUKYWYMCPJ-UHFFFAOYSA-N 2 0 304.350 2.167 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000415123607 283593124 /nfs/dbraw/zinc/59/31/24/283593124.db2.gz LLVNXGLTOBGGFM-WBVHZDCISA-N 2 0 319.405 2.313 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262079596 145259821 /nfs/dbraw/zinc/25/98/21/145259821.db2.gz HAOUTEMFZXTNJH-TUKIKUTGSA-N 2 0 305.378 2.163 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337820827 404260707 /nfs/dbraw/zinc/26/07/07/404260707.db2.gz UGRDERNPNZQKPA-KBPBESRZSA-N 2 0 305.378 2.320 20 5 DEBDRP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3cc([N+](=O)[O-])ccc3o2)CC1 ZINC000430963414 405549340 /nfs/dbraw/zinc/54/93/40/405549340.db2.gz UVKYHYLHRAUODC-SNVBAGLBSA-N 2 0 304.350 2.295 20 5 DEBDRP C[C@@H]1C[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@H]1C[NH3+] ZINC000422624985 230157369 /nfs/dbraw/zinc/15/73/69/230157369.db2.gz AGUISUWXPPPBLA-HZSPNIEDSA-N 2 0 307.394 2.279 20 5 DEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422625624 230158081 /nfs/dbraw/zinc/15/80/81/230158081.db2.gz CAWYXEWKIYOTJX-MCIONIFRSA-N 2 0 307.394 2.279 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423474429 295311837 /nfs/dbraw/zinc/31/18/37/295311837.db2.gz OUYMBTBLGDJGGQ-GBJTYRQASA-N 2 0 321.425 2.382 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423431605 298392398 /nfs/dbraw/zinc/39/23/98/298392398.db2.gz LYDOGHWPZSHYQY-MCIONIFRSA-N 2 0 309.414 2.382 20 5 DEBDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479297 326158241 /nfs/dbraw/zinc/15/82/41/326158241.db2.gz RYOSRBUGGDOGMK-ILXRZTDVSA-N 2 0 321.425 2.206 20 5 DEBDRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479299 326158365 /nfs/dbraw/zinc/15/83/65/326158365.db2.gz RYOSRBUGGDOGMK-KFWWJZLASA-N 2 0 321.425 2.206 20 5 DEBDRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414726 637167943 /nfs/dbraw/zinc/16/79/43/637167943.db2.gz NIKWTBBROKPIAU-WBVHZDCISA-N 2 0 321.421 2.325 20 5 DEBDRP COc1c(O)ccc(C[NH2+]C2CCC([NH+](C)C)CC2)c1[N+](=O)[O-] ZINC000894979758 637355707 /nfs/dbraw/zinc/35/57/07/637355707.db2.gz ZWGGCIYBNUFKJS-UHFFFAOYSA-N 2 0 323.393 2.271 20 5 DEBDRP C[C@@H]1CCCN1CC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209924 641876564 /nfs/dbraw/zinc/87/65/64/641876564.db2.gz PQYQDDBPCJDLHR-ILXRZTDVSA-N 2 0 321.425 2.349 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(Oc2ccc([N+](=O)[O-])cc2)CC1 ZINC000903439324 643349977 /nfs/dbraw/zinc/34/99/77/643349977.db2.gz GAOQGPGSXDDKBT-KGLIPLIRSA-N 2 0 319.405 2.294 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134668 647590736 /nfs/dbraw/zinc/59/07/36/647590736.db2.gz KSUAIIZPLJLNNQ-LZWOXQAQSA-N 2 0 307.394 2.091 20 5 DEBDRP [NH3+]CCCCCCC[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000844221980 651095901 /nfs/dbraw/zinc/09/59/01/651095901.db2.gz ZUMSEIDWDIKICR-CQSZACIVSA-N 2 0 321.425 2.385 20 5 DEBDRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1cc([N+](=O)[O-])cn1 ZINC000872743481 689081412 /nfs/dbraw/zinc/08/14/12/689081412.db2.gz DUHAXHOLXYAWQT-UHFFFAOYSA-N 2 0 309.414 2.049 20 5 DEBDRP Cc1c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cccc1[N+](=O)[O-] ZINC000873078257 689155304 /nfs/dbraw/zinc/15/53/04/689155304.db2.gz KQEVVOHKQBPNRR-UHFFFAOYSA-N 2 0 321.421 2.228 20 5 DEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000873140583 689168691 /nfs/dbraw/zinc/16/86/91/689168691.db2.gz QVSGIXJKOWMBML-UHFFFAOYSA-N 2 0 322.453 2.185 20 5 DEBDRP C[C@@H]([NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(N)c([N+](=O)[O-])c1 ZINC000873261307 689196949 /nfs/dbraw/zinc/19/69/49/689196949.db2.gz NGTYBFMXIZHVDG-MHDGFBEUSA-N 2 0 304.394 2.358 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931482810 694408659 /nfs/dbraw/zinc/40/86/59/694408659.db2.gz OVPRNRNHGWDCRP-CQSZACIVSA-N 2 0 321.421 2.353 20 5 DEBDRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000925594542 693305485 /nfs/dbraw/zinc/30/54/85/693305485.db2.gz DJIHJOFUCYPBGX-CHWSQXEVSA-N 2 0 307.394 2.469 20 5 DEBDRP CCC1([NH3+])CC[NH+]([C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757140 693336359 /nfs/dbraw/zinc/33/63/59/693336359.db2.gz CZGVJFUHZGQPRE-KBPBESRZSA-N 2 0 321.425 2.478 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC001335398319 1150407097 /nfs/dbraw/zinc/40/70/97/1150407097.db2.gz SQOSOFLUCFPCEZ-YESZJQIVSA-N 2 0 319.405 2.235 20 5 DEBDRP Cc1nccn1-c1cc[nH+]cc1NC(=O)CCC(C)(C)[N+](=O)[O-] ZINC001347812999 1151099549 /nfs/dbraw/zinc/09/95/49/1151099549.db2.gz JSHAQTOFSUPURY-UHFFFAOYSA-N 2 0 317.349 2.350 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ncnc2cc3ccccc3cc21 ZINC001167881209 778744765 /nfs/dbraw/zinc/74/47/65/778744765.db2.gz YDEZBJCZOBEUEQ-UHFFFAOYSA-N 2 0 308.389 2.458 20 5 DEBDRP C[C@H]1C[NH2+]CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162467609 799095503 /nfs/dbraw/zinc/09/55/03/799095503.db2.gz REXXFYSCEJXIDV-NWDGAFQWSA-N 2 0 304.394 2.246 20 5 DEBDRP C[NH+](C)CC1CC[NH+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598137 1143273148 /nfs/dbraw/zinc/27/31/48/1143273148.db2.gz HFCLYSZLMTXLAW-KRWDZBQOSA-N 2 0 303.406 2.336 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH+]1CCC(C)([NH3+])CC1 ZINC000592484518 357885472 /nfs/dbraw/zinc/88/54/72/357885472.db2.gz DIOSCJBZZXABSJ-UHFFFAOYSA-N 2 0 320.393 2.045 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000600765209 359822970 /nfs/dbraw/zinc/82/29/70/359822970.db2.gz UYNZTLCLCPXGFY-MRXNPFEDSA-N 2 0 319.405 2.185 20 5 DEBDRP Cc1c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000155005460 197012675 /nfs/dbraw/zinc/01/26/75/197012675.db2.gz ZFVKZEUQHQJFDF-DZGCQCFKSA-N 2 0 320.437 2.190 20 5 DEBDRP Cc1ccc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000154980355 197010100 /nfs/dbraw/zinc/01/01/00/197010100.db2.gz LHVMMDJHYKLYMH-HUUCEWRRSA-N 2 0 320.437 2.190 20 5 DEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cccc1[N+](=O)[O-] ZINC000565158439 292138615 /nfs/dbraw/zinc/13/86/15/292138615.db2.gz UNWBXQGPXTXDQA-AAEUAGOBSA-N 2 0 320.393 2.043 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357092839 147040413 /nfs/dbraw/zinc/04/04/13/147040413.db2.gz XRRVYOXHSGRBMV-HNNXBMFYSA-N 2 0 319.405 2.295 20 5 DEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342094235 404362399 /nfs/dbraw/zinc/36/23/99/404362399.db2.gz FCPFXOJZLLDNOA-UHOFOFEASA-N 2 0 305.378 2.033 20 5 DEBDRP C[C@H](CCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415027079 404790110 /nfs/dbraw/zinc/79/01/10/404790110.db2.gz VXQNZEJOVHFVDH-GFCCVEGCSA-N 2 0 317.393 2.212 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331093 405322355 /nfs/dbraw/zinc/32/23/55/405322355.db2.gz QPCUGOJONOOBLQ-HIFRSBDPSA-N 2 0 319.405 2.343 20 5 DEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000425977551 405333593 /nfs/dbraw/zinc/33/35/93/405333593.db2.gz LPUZVOVGCAYTGL-JOFJXJOBSA-N 2 0 301.390 2.492 20 5 DEBDRP Cc1c(NC(=O)CC[N@@H+](C)CC(C)(C)C[NH3+])cccc1[N+](=O)[O-] ZINC000430573423 405459286 /nfs/dbraw/zinc/45/92/86/405459286.db2.gz QYOSNFMOQQCNDN-UHFFFAOYSA-N 2 0 322.409 2.149 20 5 DEBDRP COc1ccc(OCC[NH+]2CCC([C@@H](C)[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000430962079 405547303 /nfs/dbraw/zinc/54/73/03/405547303.db2.gz PHDVZVIGFBWSBV-GFCCVEGCSA-N 2 0 323.393 2.041 20 5 DEBDRP CCC[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000431071178 405572462 /nfs/dbraw/zinc/57/24/62/405572462.db2.gz OFEYIJMTXPRSFC-UHFFFAOYSA-N 2 0 307.394 2.438 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288852 405750188 /nfs/dbraw/zinc/75/01/88/405750188.db2.gz VKRQGYKFHUKPKO-OLZOCXBDSA-N 2 0 309.414 2.382 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2=CC[NH2+]CC2)n1 ZINC000423536127 405847743 /nfs/dbraw/zinc/84/77/43/405847743.db2.gz GQROBBJMVWAPST-HUUCEWRRSA-N 2 0 319.409 2.174 20 5 DEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186589799 278172227 /nfs/dbraw/zinc/17/22/27/278172227.db2.gz CAOCWQDSHOCXCG-HUUCEWRRSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@@H](C[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293369508 278283895 /nfs/dbraw/zinc/28/38/95/278283895.db2.gz HUZSDELDJQIHHR-STQMWFEESA-N 2 0 322.409 2.099 20 5 DEBDRP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C1 ZINC000443068798 534653185 /nfs/dbraw/zinc/65/31/85/534653185.db2.gz IKXFYZRXKFEXAX-LLVKDONJSA-N 2 0 304.350 2.297 20 5 DEBDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398737 535594264 /nfs/dbraw/zinc/59/42/64/535594264.db2.gz UAOCXVMBEHDWSV-HUUCEWRRSA-N 2 0 323.441 2.282 20 5 DEBDRP [NH3+]C1(C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CCC1 ZINC000841048860 650414392 /nfs/dbraw/zinc/41/43/92/650414392.db2.gz MDEZKJXCMSZCRG-UHFFFAOYSA-N 2 0 304.394 2.035 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CCC[NH2+]C3CC3)CC2)cc1 ZINC000841089149 650428078 /nfs/dbraw/zinc/42/80/78/650428078.db2.gz FPEGKIYAALSXLW-UHFFFAOYSA-N 2 0 318.421 2.295 20 5 DEBDRP Cc1cccc([N+](=O)[O-])c1NC(=O)C[N@@H+](C)C1CCC([NH3+])CC1 ZINC000843353645 650955858 /nfs/dbraw/zinc/95/58/58/650955858.db2.gz GGRCAOXHTBOMJN-UHFFFAOYSA-N 2 0 320.393 2.043 20 5 DEBDRP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819106119 647584807 /nfs/dbraw/zinc/58/48/07/647584807.db2.gz NBTBYICHSQYJBV-QGZVFWFLSA-N 2 0 321.421 2.340 20 5 DEBDRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819186185 647603541 /nfs/dbraw/zinc/60/35/41/647603541.db2.gz WEYONEJJEKRVQB-PUJMQQBBSA-N 2 0 321.421 2.338 20 5 DEBDRP Cc1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c([N+](=O)[O-])c1 ZINC000866012021 687408128 /nfs/dbraw/zinc/40/81/28/687408128.db2.gz OPMBMVLJVDNPCV-HUUCEWRRSA-N 2 0 320.437 2.079 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000886841465 692207876 /nfs/dbraw/zinc/20/78/76/692207876.db2.gz LZUBXXFQULEEHM-CQSZACIVSA-N 2 0 304.394 2.201 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000886841696 692208038 /nfs/dbraw/zinc/20/80/38/692208038.db2.gz SMJWIRGCAMLYMU-CQSZACIVSA-N 2 0 304.394 2.201 20 5 DEBDRP [NH3+]C1(c2ccccc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997508 784997053 /nfs/dbraw/zinc/99/70/53/784997053.db2.gz CUDHDXLRDFBSCR-ZBFHGGJFSA-N 2 0 303.406 2.382 20 5 DEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034242 785011294 /nfs/dbraw/zinc/01/12/94/785011294.db2.gz GHQKQQVGWLEGNP-XJKSGUPXSA-N 2 0 313.417 2.330 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296291 786892007 /nfs/dbraw/zinc/89/20/07/786892007.db2.gz GIWSQFCOJRLZHX-KBPBESRZSA-N 2 0 321.421 2.466 20 5 DEBDRP [NH3+]CCSCC[NH2+][C@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902985 793523170 /nfs/dbraw/zinc/52/31/70/793523170.db2.gz OFRSGXJCNANUKC-AWEZNQCLSA-N 2 0 309.435 2.124 20 5 DEBDRP C[C@H]1C[NH2+]CCC[C@H]1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162467610 799094934 /nfs/dbraw/zinc/09/49/34/799094934.db2.gz REXXFYSCEJXIDV-RYUDHWBXSA-N 2 0 304.394 2.246 20 5 DEBDRP CCOc1ccc2c(c1)c(=[NH2+])c1ccc(N)cc1n2C(=O)[C@@H](C)[NH3+] ZINC001219005130 802273386 /nfs/dbraw/zinc/27/33/86/802273386.db2.gz DCIJOZKKYLEZQU-SNVBAGLBSA-N 2 0 324.384 2.242 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC001246195689 1140871446 /nfs/dbraw/zinc/87/14/46/1140871446.db2.gz BHYREFAEGPVRAM-CJNGLKHVSA-N 2 0 303.406 2.431 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592469633 357882384 /nfs/dbraw/zinc/88/23/84/357882384.db2.gz XKZBNISXYMIOAJ-SGMGOOAPSA-N 2 0 305.378 2.081 20 5 DEBDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173294 285111453 /nfs/dbraw/zinc/11/14/53/285111453.db2.gz CCXLFGQWGWZZPM-WWGRRREGSA-N 2 0 307.394 2.292 20 5 DEBDRP CN(c1ccccc1[N+](=O)[O-])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372604283 133360387 /nfs/dbraw/zinc/36/03/87/133360387.db2.gz BQIIUICFHFRKIK-HNNXBMFYSA-N 2 0 318.421 2.200 20 5 DEBDRP CN(c1ccccc1[N+](=O)[O-])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372604285 133360724 /nfs/dbraw/zinc/36/07/24/133360724.db2.gz BQIIUICFHFRKIK-OAHLLOKOSA-N 2 0 318.421 2.200 20 5 DEBDRP Cc1c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000162524119 402423209 /nfs/dbraw/zinc/42/32/09/402423209.db2.gz VWCIOYSLGMXPQV-OAHLLOKOSA-N 2 0 320.437 2.191 20 5 DEBDRP C[C@H](N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998483 403237781 /nfs/dbraw/zinc/23/77/81/403237781.db2.gz HSFOOKBSJGZVQR-NILFDRSVSA-N 2 0 304.394 2.454 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414780316 404733262 /nfs/dbraw/zinc/73/32/62/404733262.db2.gz SSDOPCFHHLXGMM-SJORKVTESA-N 2 0 319.405 2.231 20 5 DEBDRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414855673 404749262 /nfs/dbraw/zinc/74/92/62/404749262.db2.gz XENGBAOHHQVZLU-LBPRGKRZSA-N 2 0 323.393 2.091 20 5 DEBDRP C[C@H]1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696506 404710607 /nfs/dbraw/zinc/71/06/07/404710607.db2.gz GCPQYBDLXJJKKY-LSDHHAIUSA-N 2 0 318.421 2.105 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331096 405322292 /nfs/dbraw/zinc/32/22/92/405322292.db2.gz QPCUGOJONOOBLQ-UKRRQHHQSA-N 2 0 319.405 2.343 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420405075 405345278 /nfs/dbraw/zinc/34/52/78/405345278.db2.gz SQLPIDBLFNFGCE-YOEHRIQHSA-N 2 0 319.405 2.438 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420405072 405345532 /nfs/dbraw/zinc/34/55/32/405345532.db2.gz SQLPIDBLFNFGCE-PBHICJAKSA-N 2 0 319.405 2.438 20 5 DEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@H]1C[NH3+] ZINC000422625625 405674220 /nfs/dbraw/zinc/67/42/20/405674220.db2.gz CAWYXEWKIYOTJX-MGPQQGTHSA-N 2 0 307.394 2.279 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288854 405750114 /nfs/dbraw/zinc/75/01/14/405750114.db2.gz VKRQGYKFHUKPKO-STQMWFEESA-N 2 0 309.414 2.382 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437779573 274206589 /nfs/dbraw/zinc/20/65/89/274206589.db2.gz VNRZMSJIDOCGCV-HIFPTAJRSA-N 2 0 320.393 2.171 20 5 DEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC[NH2+]C2CC2)n1 ZINC000423547361 275040489 /nfs/dbraw/zinc/04/04/89/275040489.db2.gz GBAKSJUHRGEIQT-KBPBESRZSA-N 2 0 307.398 2.007 20 5 DEBDRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186589745 278231676 /nfs/dbraw/zinc/23/16/76/278231676.db2.gz CAOCWQDSHOCXCG-GJZGRUSLSA-N 2 0 320.437 2.271 20 5 DEBDRP Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000154980140 280941081 /nfs/dbraw/zinc/94/10/81/280941081.db2.gz LHVMMDJHYKLYMH-LSDHHAIUSA-N 2 0 320.437 2.190 20 5 DEBDRP COc1cc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442920372 533806675 /nfs/dbraw/zinc/80/66/75/533806675.db2.gz KZYLIYKCHUMJTH-GFCCVEGCSA-N 2 0 323.393 2.173 20 5 DEBDRP C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000923389270 637156114 /nfs/dbraw/zinc/15/61/14/637156114.db2.gz USLVYSWEYORPLG-WQVCFCJDSA-N 2 0 307.394 2.078 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449713 637188670 /nfs/dbraw/zinc/18/86/70/637188670.db2.gz QEEGWVSXQKTSBC-ZIAGYGMSSA-N 2 0 319.405 2.486 20 5 DEBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000819333081 647637406 /nfs/dbraw/zinc/63/74/06/647637406.db2.gz GAOYUYVWMSJNBW-KRWDZBQOSA-N 2 0 321.421 2.484 20 5 DEBDRP C[N@@H+]1C[C@@]2(C)CN(CCOc3ccc([N+](=O)[O-])cc3)C[C@@]2(C)C1 ZINC000931307563 694362358 /nfs/dbraw/zinc/36/23/58/694362358.db2.gz PTYKPLTUJNVGAM-CALCHBBNSA-N 2 0 319.405 2.247 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925783283 693341287 /nfs/dbraw/zinc/34/12/87/693341287.db2.gz FBPCOHVSQHPNKC-KCXAZCMYSA-N 2 0 303.406 2.361 20 5 DEBDRP Cc1c[nH+]ccc1N([C@@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053089 785022659 /nfs/dbraw/zinc/02/26/59/785022659.db2.gz HKGMHFZBGKDLSY-GOEBONIOSA-N 2 0 318.421 2.394 20 5 DEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1cc(Cl)nc2ccc([N+](=O)[O-])cc21 ZINC001159786633 798608373 /nfs/dbraw/zinc/60/83/73/798608373.db2.gz GBGRIWLLYSHWIP-ZDUSSCGKSA-N 2 0 309.757 2.232 20 5 DEBDRP CC(C)N(CCC[NH3+])c1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001164126627 799517347 /nfs/dbraw/zinc/51/73/47/799517347.db2.gz BBWZUZNWODEAKU-UHFFFAOYSA-N 2 0 324.425 2.099 20 5 DEBDRP COCC1(C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC[NH2+]CC1 ZINC001578982782 1067216410 /nfs/dbraw/zinc/21/64/10/1067216410.db2.gz FTSLLGSIJUHIMA-UHFFFAOYSA-N 2 0 307.394 2.009 20 5 DEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])N(CCC[NH3+])CCC[NH+](C)C ZINC001254539702 1143240812 /nfs/dbraw/zinc/24/08/12/1143240812.db2.gz JWDMXHMCLYRJEL-OAHLLOKOSA-N 2 0 322.453 2.128 20 5 DEBDRP CC[NH+](CC)CCN(CC[NH3+])[C@H](C)Cc1ccccc1[N+](=O)[O-] ZINC001254540784 1143242386 /nfs/dbraw/zinc/24/23/86/1143242386.db2.gz WLWXFMSQTZVFJZ-OAHLLOKOSA-N 2 0 322.453 2.128 20 5 DEBDRP C[N@@H+]1CC[C@]2(CC[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608216 1143280851 /nfs/dbraw/zinc/28/08/51/1143280851.db2.gz PRGIIGPJQJXRQN-SJORKVTESA-N 2 0 301.390 2.090 20 5 DEBDRP C[C@@H]1CC2(C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424302450 230615005 /nfs/dbraw/zinc/61/50/05/230615005.db2.gz ZNXQTYRJIQYTAS-CQSZACIVSA-N 2 0 319.405 2.438 20 5 DEBDRP C[C@@H](CCN1CCOCC1)[NH2+]C/C=C/c1ccccc1[N+](=O)[O-] ZINC000124209922 402168816 /nfs/dbraw/zinc/16/88/16/402168816.db2.gz QGSSQZOUMZQCNA-DRDHIDPGSA-N 2 0 319.405 2.308 20 5 DEBDRP CCCC[N@H+](C)CC1CC[NH+](CCn2ccc([N+](=O)[O-])n2)CC1 ZINC000176243313 402293968 /nfs/dbraw/zinc/29/39/68/402293968.db2.gz UTVKPJFKTBXTLQ-UHFFFAOYSA-N 2 0 323.441 2.235 20 5 DEBDRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029597 404790806 /nfs/dbraw/zinc/79/08/06/404790806.db2.gz DZCQOYPEXREPRH-KOLCDFICSA-N 2 0 315.320 2.413 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415127762 404813640 /nfs/dbraw/zinc/81/36/40/404813640.db2.gz RESIMRPANFUESM-WBVHZDCISA-N 2 0 319.405 2.313 20 5 DEBDRP CC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629479 404998971 /nfs/dbraw/zinc/99/89/71/404998971.db2.gz XQHRHKZFNAFNGI-CQSZACIVSA-N 2 0 307.394 2.438 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420346145 405327928 /nfs/dbraw/zinc/32/79/28/405327928.db2.gz XNLZBQJEWWTFQQ-KRWDZBQOSA-N 2 0 319.405 2.438 20 5 DEBDRP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1[N+](=O)[O-] ZINC000459734872 406024614 /nfs/dbraw/zinc/02/46/14/406024614.db2.gz OSJCAYLHNBANSL-ZDUSSCGKSA-N 2 0 307.394 2.425 20 5 DEBDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000160258531 278346650 /nfs/dbraw/zinc/34/66/50/278346650.db2.gz AMYUVKAWZALAKZ-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479301 326158301 /nfs/dbraw/zinc/15/83/01/326158301.db2.gz RYOSRBUGGDOGMK-RBSFLKMASA-N 2 0 321.425 2.206 20 5 DEBDRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362960 535594270 /nfs/dbraw/zinc/59/42/70/535594270.db2.gz DGVLDFKLIHKZBS-GDBMZVCRSA-N 2 0 323.441 2.282 20 5 DEBDRP CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1cc([N+](=O)[O-])cn1 ZINC000066795627 625854993 /nfs/dbraw/zinc/85/49/93/625854993.db2.gz QVXJURSWUZTDGE-UHFFFAOYSA-N 2 0 317.393 2.333 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923500903 637217466 /nfs/dbraw/zinc/21/74/66/637217466.db2.gz ROTZEGKHUXADEP-QWHCGFSZSA-N 2 0 307.394 2.410 20 5 DEBDRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841056604 650416313 /nfs/dbraw/zinc/41/63/13/650416313.db2.gz AEXRNKJSTBSYLJ-ZFWWWQNUSA-N 2 0 318.421 2.423 20 5 DEBDRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429046 643035394 /nfs/dbraw/zinc/03/53/94/643035394.db2.gz JMSFSNQUUFCSOQ-RJZRQDKASA-N 2 0 307.394 2.040 20 5 DEBDRP [NH3+]CCCCCCC[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC000844221975 651096012 /nfs/dbraw/zinc/09/60/12/651096012.db2.gz ZUMSEIDWDIKICR-AWEZNQCLSA-N 2 0 321.425 2.385 20 5 DEBDRP Cc1c(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cccc1[N+](=O)[O-] ZINC000873048547 689148696 /nfs/dbraw/zinc/14/86/96/689148696.db2.gz DFQAJJGIKJKBIH-INIZCTEOSA-N 2 0 321.421 2.230 20 5 DEBDRP COc1cc(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000873222525 689187466 /nfs/dbraw/zinc/18/74/66/689187466.db2.gz XXWNYWKJMGGCNA-NSHDSACASA-N 2 0 323.393 2.090 20 5 DEBDRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253223 689194832 /nfs/dbraw/zinc/19/48/32/689194832.db2.gz VHQMWPNJHZFRRU-ARFHVFGLSA-N 2 0 319.405 2.150 20 5 DEBDRP CC1CC[NH+](CCC[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876897249 689967306 /nfs/dbraw/zinc/96/73/06/689967306.db2.gz AKFRGFWHGWIQRH-UHFFFAOYSA-N 2 0 321.425 2.206 20 5 DEBDRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925848188 693352710 /nfs/dbraw/zinc/35/27/10/693352710.db2.gz BQXBXGGLNJVONE-HNNXBMFYSA-N 2 0 320.437 2.321 20 5 DEBDRP C[NH+](C)CCOc1cc(NC2(C)CC[NH2+]CC2)ccc1[N+](=O)[O-] ZINC001168188056 780419790 /nfs/dbraw/zinc/41/97/90/780419790.db2.gz LKPIFIOWRODQKI-UHFFFAOYSA-N 2 0 322.409 2.089 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170318632 786906352 /nfs/dbraw/zinc/90/63/52/786906352.db2.gz QPNDBCXVIQSYSC-UBHSHLNASA-N 2 0 307.394 2.394 20 5 DEBDRP [NH2+]=C(N[C@H]1CCc2ccc([N+](=O)[O-])cc2CC1)SCC[NH3+] ZINC001172902525 793523174 /nfs/dbraw/zinc/52/31/74/793523174.db2.gz ZFXDQNWUJQPSFJ-LBPRGKRZSA-N 2 0 308.407 2.058 20 5 DEBDRP C[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899714 793523197 /nfs/dbraw/zinc/52/31/97/793523197.db2.gz OWTVANSDTUSZQI-CZUORRHYSA-N 2 0 303.406 2.384 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[NH+]2CCC(C[NH2+]CCF)CC2)cc1 ZINC001474484999 1060878845 /nfs/dbraw/zinc/87/88/45/1060878845.db2.gz VASGZPXWGJHFGX-UHFFFAOYSA-N 2 0 309.385 2.408 20 5 DEBDRP Cc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1[N+](=O)[O-] ZINC000237110840 356294501 /nfs/dbraw/zinc/29/45/01/356294501.db2.gz IAFDRWJTGQAMFL-UHFFFAOYSA-N 2 0 320.437 2.020 20 5 DEBDRP C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730825 358132688 /nfs/dbraw/zinc/13/26/88/358132688.db2.gz HQRRIIQLWVIPPB-ZIAGYGMSSA-N 2 0 307.394 2.423 20 5 DEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000342106096 404371407 /nfs/dbraw/zinc/37/14/07/404371407.db2.gz OSBJGJJOULENJA-UHOFOFEASA-N 2 0 305.378 2.033 20 5 DEBDRP Cc1cc(NCC2([NH3+])CCC2)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420224227 405297013 /nfs/dbraw/zinc/29/70/13/405297013.db2.gz ADUQIYSQAWQWRC-UHFFFAOYSA-N 2 0 313.361 2.075 20 5 DEBDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000923448454 637183082 /nfs/dbraw/zinc/18/30/82/637183082.db2.gz CHAILJCZVGTAMO-CQSZACIVSA-N 2 0 323.368 2.064 20 5 DEBDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(F)ccc1[N+](=O)[O-])CC2 ZINC000923450266 637188091 /nfs/dbraw/zinc/18/80/91/637188091.db2.gz TYCYDMSCNWKIFO-CQSZACIVSA-N 2 0 323.368 2.064 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923500901 637217722 /nfs/dbraw/zinc/21/77/22/637217722.db2.gz ROTZEGKHUXADEP-CHWSQXEVSA-N 2 0 307.394 2.410 20 5 DEBDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841085044 650426034 /nfs/dbraw/zinc/42/60/34/650426034.db2.gz STVVKNRDHQFYRG-DZGCQCFKSA-N 2 0 318.421 2.281 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1[N+](=O)[O-] ZINC000903757019 643455376 /nfs/dbraw/zinc/45/53/76/643455376.db2.gz AKKWBLCASXFQSM-LXZKKBNFSA-N 2 0 319.405 2.322 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903968050 643537745 /nfs/dbraw/zinc/53/77/45/643537745.db2.gz QHMVGYHUGZFQBV-KGLIPLIRSA-N 2 0 318.421 2.009 20 5 DEBDRP COc1cc(C[N@H+](C)C2CCC([NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000843055827 650879331 /nfs/dbraw/zinc/87/93/31/650879331.db2.gz PNDMMKLMYROKQP-UHFFFAOYSA-N 2 0 323.393 2.314 20 5 DEBDRP C[N@H+](CCC(=O)Nc1ccc([N+](=O)[O-])cc1)C1CCC([NH3+])CC1 ZINC000843355759 650956214 /nfs/dbraw/zinc/95/62/14/650956214.db2.gz WMPDPDCSLVMZCW-UHFFFAOYSA-N 2 0 320.393 2.125 20 5 DEBDRP C[C@@H](C[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000818968517 647552543 /nfs/dbraw/zinc/55/25/43/647552543.db2.gz CSQOTGLEWQVDSO-YOEHRIQHSA-N 2 0 321.421 2.340 20 5 DEBDRP Cc1c(C[NH+]2CCC(OCC[NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000732667088 647638962 /nfs/dbraw/zinc/63/89/62/647638962.db2.gz KLVPONJVOFGBIQ-UHFFFAOYSA-N 2 0 321.421 2.446 20 5 DEBDRP Cc1ccc([N+](=O)[O-])c(C)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000873013611 689140644 /nfs/dbraw/zinc/14/06/44/689140644.db2.gz FILGNYSNOOFDPR-UHFFFAOYSA-N 2 0 321.421 2.414 20 5 DEBDRP COCC[N@@H+](Cc1ccc([N+](=O)[O-])cc1)CC1CC[NH+](C)CC1 ZINC000877665031 690182430 /nfs/dbraw/zinc/18/24/30/690182430.db2.gz DHDAXXAICGNQFL-UHFFFAOYSA-N 2 0 321.421 2.385 20 5 DEBDRP CCC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000925811790 693345957 /nfs/dbraw/zinc/34/59/57/693345957.db2.gz RYKSSIZYMURPNY-KRWDZBQOSA-N 2 0 320.437 2.449 20 5 DEBDRP CC(C)C[N@H+](C)CCCNC[C@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620040 1152095768 /nfs/dbraw/zinc/09/57/68/1152095768.db2.gz AAQFSIMQKPUQKL-INIZCTEOSA-N 2 0 309.410 2.196 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@H]2C)c([N+](=O)[O-])c1 ZINC001246121903 1140863009 /nfs/dbraw/zinc/86/30/09/1140863009.db2.gz VHLPYHJJPCHWET-IPYPFGDCSA-N 2 0 321.421 2.370 20 5 DEBDRP [NH3+][C@@]12CC[C@@]([NH2+][C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)(C1)CCC2 ZINC001246330554 1140884966 /nfs/dbraw/zinc/88/49/66/1140884966.db2.gz BPQXSVRHAHKGCO-HYVNUMGLSA-N 2 0 301.390 2.456 20 5 DEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])N(CCC[NH3+])CCC[NH+](C)C ZINC001254539701 1143241309 /nfs/dbraw/zinc/24/13/09/1143241309.db2.gz JWDMXHMCLYRJEL-HNNXBMFYSA-N 2 0 322.453 2.128 20 5 DEBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc([N+](=O)[O-])cc1 ZINC000160740870 197435290 /nfs/dbraw/zinc/43/52/90/197435290.db2.gz WVRZMDCXBROBBG-WMLDXEAASA-N 2 0 321.421 2.482 20 5 DEBDRP Cc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000268972139 207135246 /nfs/dbraw/zinc/13/52/46/207135246.db2.gz IFTQYCHQEUNABJ-CYBMUJFWSA-N 2 0 307.394 2.011 20 5 DEBDRP COCCN1CCC([NH2+][C@H]2CCc3c2cccc3[N+](=O)[O-])CC1 ZINC000564349211 292093101 /nfs/dbraw/zinc/09/31/01/292093101.db2.gz KVQWJYRGAHDFLC-INIZCTEOSA-N 2 0 319.405 2.283 20 5 DEBDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282290728 403140422 /nfs/dbraw/zinc/14/04/22/403140422.db2.gz LQZQHAAEPMKZEU-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158177 403250247 /nfs/dbraw/zinc/25/02/47/403250247.db2.gz PRUBWDDFHZOSLH-RYUDHWBXSA-N 2 0 304.394 2.312 20 5 DEBDRP Cc1ccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000353527369 404857675 /nfs/dbraw/zinc/85/76/75/404857675.db2.gz CTHSTKWVTKKRGO-UHFFFAOYSA-N 2 0 321.421 2.446 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321035 405318875 /nfs/dbraw/zinc/31/88/75/405318875.db2.gz CDSBSIPYVHJSRP-LSDHHAIUSA-N 2 0 319.405 2.295 20 5 DEBDRP C[NH+](C)CCN(C/C=C\c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583591906 405766890 /nfs/dbraw/zinc/76/68/90/405766890.db2.gz KCFVVGKCHDOSRR-CLFYSBASSA-N 2 0 320.437 2.033 20 5 DEBDRP C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C[NH+](C)C ZINC000425943683 278209265 /nfs/dbraw/zinc/20/92/65/278209265.db2.gz JOVMFHOBMSAFNG-MCIONIFRSA-N 2 0 309.414 2.062 20 5 DEBDRP CC[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000923378824 637147764 /nfs/dbraw/zinc/14/77/64/637147764.db2.gz NCJGQRKTRGEEQW-HUUCEWRRSA-N 2 0 305.378 2.014 20 5 DEBDRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000819105938 647584764 /nfs/dbraw/zinc/58/47/64/647584764.db2.gz KPLIFCPQJMDURV-KRWDZBQOSA-N 2 0 321.421 2.340 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819134669 647590601 /nfs/dbraw/zinc/59/06/01/647590601.db2.gz KSUAIIZPLJLNNQ-SQWLQELKSA-N 2 0 307.394 2.091 20 5 DEBDRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012509 689140737 /nfs/dbraw/zinc/14/07/37/689140737.db2.gz SIHLILHFOJMCLU-CQSZACIVSA-N 2 0 320.437 2.019 20 5 DEBDRP C[C@H]1C[N@@H+]([C@@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C[NH3+] ZINC001246542382 1140947675 /nfs/dbraw/zinc/94/76/75/1140947675.db2.gz OWWJXBBRPZWYEU-APHBMKBZSA-N 2 0 303.406 2.369 20 5 DEBDRP C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1C[NH3+] ZINC001246558641 1140961197 /nfs/dbraw/zinc/96/11/97/1140961197.db2.gz NTCGBVBHGQCIRZ-HACGYAERSA-N 2 0 303.406 2.369 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314691 358053200 /nfs/dbraw/zinc/05/32/00/358053200.db2.gz FNYVJKWNGVIQPB-ZMSDIMECSA-N 2 0 319.405 2.313 20 5 DEBDRP Cc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000185862995 402384143 /nfs/dbraw/zinc/38/41/43/402384143.db2.gz LKRGNWXLCSIYSK-HNNXBMFYSA-N 2 0 320.437 2.019 20 5 DEBDRP O=[N+]([O-])c1ccc(OC(F)F)c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414840489 404746277 /nfs/dbraw/zinc/74/62/77/404746277.db2.gz XEEPIFFFRYEAIY-JTQLQIEISA-N 2 0 315.320 2.285 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414910226 404764597 /nfs/dbraw/zinc/76/45/97/404764597.db2.gz SOCXIIVSBBWJOI-UHFFFAOYSA-N 2 0 307.394 2.473 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123890 404813227 /nfs/dbraw/zinc/81/32/27/404813227.db2.gz LRLGZOBHJDKGHZ-WBVHZDCISA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414956242 404775190 /nfs/dbraw/zinc/77/51/90/404775190.db2.gz VBYAHBJUGGXLME-DYEKYZERSA-N 2 0 320.393 2.042 20 5 DEBDRP C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000420367332 405334212 /nfs/dbraw/zinc/33/42/12/405334212.db2.gz JYAVBNVHEKGHNM-FZMZJTMJSA-N 2 0 316.361 2.071 20 5 DEBDRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCN1C ZINC000447543013 405417275 /nfs/dbraw/zinc/41/72/75/405417275.db2.gz KOAANDXTSIUVAW-TUVASFSCSA-N 2 0 321.425 2.347 20 5 DEBDRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430573938 405459898 /nfs/dbraw/zinc/45/98/98/405459898.db2.gz NGFTUCGTCWRBAM-CYBMUJFWSA-N 2 0 322.409 2.229 20 5 DEBDRP Cc1c(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cccc1[N+](=O)[O-] ZINC000423072028 230337546 /nfs/dbraw/zinc/33/75/46/230337546.db2.gz IQOYPSLKQSFHNY-ARFHVFGLSA-N 2 0 319.405 2.150 20 5 DEBDRP C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000332074707 277026655 /nfs/dbraw/zinc/02/66/55/277026655.db2.gz YIWWTBYVKXVABG-HUUCEWRRSA-N 2 0 321.425 2.206 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000127554238 281860283 /nfs/dbraw/zinc/86/02/83/281860283.db2.gz UGHJSIFYCWLCPS-HUUCEWRRSA-N 2 0 320.437 2.190 20 5 DEBDRP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000574479300 326158265 /nfs/dbraw/zinc/15/82/65/326158265.db2.gz RYOSRBUGGDOGMK-QLFBSQMISA-N 2 0 321.425 2.206 20 5 DEBDRP C[C@@H]1C[N@H+](Cc2nc3cc([N+](=O)[O-])ccc3o2)C[C@H]1CC[NH3+] ZINC000903496761 643372551 /nfs/dbraw/zinc/37/25/51/643372551.db2.gz BXIREOUHQYEFAX-GHMZBOCLSA-N 2 0 304.350 2.153 20 5 DEBDRP C[N@H+](Cc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCC([NH3+])CC1 ZINC000843055514 650879247 /nfs/dbraw/zinc/87/92/47/650879247.db2.gz DWIOLODVVJYUJH-UHFFFAOYSA-N 2 0 321.377 2.068 20 5 DEBDRP C[C@H]([NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000819102606 647583596 /nfs/dbraw/zinc/58/35/96/647583596.db2.gz MYCLLWYECHXDPL-WFASDCNBSA-N 2 0 309.410 2.194 20 5 DEBDRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873290447 689203152 /nfs/dbraw/zinc/20/31/52/689203152.db2.gz QJJIEMRFUCBHMG-XJKSGUPXSA-N 2 0 319.405 2.404 20 5 DEBDRP C[NH+](C)CC1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877114704 690021049 /nfs/dbraw/zinc/02/10/49/690021049.db2.gz YGJUJPSLLJXVNR-UHFFFAOYSA-N 2 0 321.425 2.205 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc2cccnc2c2ncccc12 ZINC001167881443 778745407 /nfs/dbraw/zinc/74/54/07/778745407.db2.gz GYBBOEHCFUJAHY-UHFFFAOYSA-N 2 0 308.389 2.458 20 5 DEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC001168967740 784990301 /nfs/dbraw/zinc/99/03/01/784990301.db2.gz SVQWPKSGBGNYSH-HUUCEWRRSA-N 2 0 300.362 2.407 20 5 DEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC001168967736 784990455 /nfs/dbraw/zinc/99/04/55/784990455.db2.gz SVQWPKSGBGNYSH-CABCVRRESA-N 2 0 300.362 2.407 20 5 DEBDRP C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442792590 529926429 /nfs/dbraw/zinc/92/64/29/529926429.db2.gz QSVRWOKTTAFXDK-NNQSOWQGSA-N 2 0 305.378 2.188 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314689 358053058 /nfs/dbraw/zinc/05/30/58/358053058.db2.gz FNYVJKWNGVIQPB-INMHGKMJSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccccc1[N+](=O)[O-])C2 ZINC000593733949 358132591 /nfs/dbraw/zinc/13/25/91/358132591.db2.gz OYCGENKKNKUEBQ-BBRMVZONSA-N 2 0 305.378 2.034 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331486 296240631 /nfs/dbraw/zinc/24/06/31/296240631.db2.gz QVUGKRUESJEDBP-UONOGXRCSA-N 2 0 319.405 2.343 20 5 DEBDRP C[C@H](C[NH2+][C@H](C)c1ccc([N+](=O)[O-])cc1)CN1CC[NH+](C)CC1 ZINC000121026727 195283026 /nfs/dbraw/zinc/28/30/26/195283026.db2.gz GPKUODFCKXWIJE-HUUCEWRRSA-N 2 0 320.437 2.129 20 5 DEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118409 145148810 /nfs/dbraw/zinc/14/88/10/145148810.db2.gz NAJLAQSNVKWMPF-WMLDXEAASA-N 2 0 319.405 2.390 20 5 DEBDRP C[C@]1(C[NH3+])CCN(Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000261695811 145217955 /nfs/dbraw/zinc/21/79/55/145217955.db2.gz KZZCCCWLPBFXDN-CQSZACIVSA-N 2 0 315.320 2.367 20 5 DEBDRP Cc1c(NC(=O)CC[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cccc1[N+](=O)[O-] ZINC000565158440 292138846 /nfs/dbraw/zinc/13/88/46/292138846.db2.gz UNWBXQGPXTXDQA-DGCLKSJQSA-N 2 0 320.393 2.043 20 5 DEBDRP Cc1c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000127556102 401739939 /nfs/dbraw/zinc/73/99/39/401739939.db2.gz IZQSSTZAVCHAGK-UKRRQHHQSA-N 2 0 320.437 2.190 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)N1CCN(c2nccn2C)CC1 ZINC000266882500 402996600 /nfs/dbraw/zinc/99/66/00/402996600.db2.gz AMPVLRDIJZXQGF-CYBMUJFWSA-N 2 0 315.377 2.212 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331483 405322208 /nfs/dbraw/zinc/32/22/08/405322208.db2.gz QVUGKRUESJEDBP-KGLIPLIRSA-N 2 0 319.405 2.343 20 5 DEBDRP CC[NH2+]CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000430572784 405459562 /nfs/dbraw/zinc/45/95/62/405459562.db2.gz OTVKWQOXMPRXCP-UHFFFAOYSA-N 2 0 307.394 2.295 20 5 DEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422625817 230158378 /nfs/dbraw/zinc/15/83/78/230158378.db2.gz COWQMRIZSNAOPU-MCIONIFRSA-N 2 0 307.394 2.279 20 5 DEBDRP C[C@@H]1C[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@H]1C[NH3+] ZINC000422625816 230158975 /nfs/dbraw/zinc/15/89/75/230158975.db2.gz COWQMRIZSNAOPU-HZSPNIEDSA-N 2 0 307.394 2.279 20 5 DEBDRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921183 230277619 /nfs/dbraw/zinc/27/76/19/230277619.db2.gz NOYRIYQTVIVOOH-RRQGHBQHSA-N 2 0 321.421 2.259 20 5 DEBDRP C[NH+](C)CCOCC[NH2+][C@H]1CCCc2ccc([N+](=O)[O-])cc21 ZINC000447603858 276762991 /nfs/dbraw/zinc/76/29/91/276762991.db2.gz ZAAFAFWLUWQTOY-INIZCTEOSA-N 2 0 307.394 2.140 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423431603 289460435 /nfs/dbraw/zinc/46/04/35/289460435.db2.gz LYDOGHWPZSHYQY-HZSPNIEDSA-N 2 0 309.414 2.382 20 5 DEBDRP [NH3+]C1CCC([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423234832 295212632 /nfs/dbraw/zinc/21/26/32/295212632.db2.gz QNCMSBZOLBSCRH-HOAMVYINSA-N 2 0 307.398 2.135 20 5 DEBDRP COc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)c([N+](=O)[O-])cc1O ZINC000453596534 536796473 /nfs/dbraw/zinc/79/64/73/536796473.db2.gz LQMKTRMLKBMFKP-UHFFFAOYSA-N 2 0 323.393 2.273 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1[N+](=O)[O-] ZINC000903757020 643455709 /nfs/dbraw/zinc/45/57/09/643455709.db2.gz AKKWBLCASXFQSM-QRTARXTBSA-N 2 0 319.405 2.322 20 5 DEBDRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819361012 647643437 /nfs/dbraw/zinc/64/34/37/647643437.db2.gz FZXJNFBTMQOLQA-INIZCTEOSA-N 2 0 307.394 2.092 20 5 DEBDRP [NH3+]CCc1cn(-c2cc3c(cc2[N+](=O)[O-])C[NH2+]C3)c2cccnc12 ZINC001169711268 785320212 /nfs/dbraw/zinc/32/02/12/785320212.db2.gz USPWZFNFQNCHPV-UHFFFAOYSA-N 2 0 323.356 2.038 20 5 DEBDRP [NH3+]CCc1cn(-c2ncc([N+](=O)[O-])cc2Cl)c2cc[nH+]cc12 ZINC001160944434 798766991 /nfs/dbraw/zinc/76/69/91/798766991.db2.gz KJEZHYOTCLUGSN-UHFFFAOYSA-N 2 0 317.736 2.483 20 5 DEBDRP COc1cc(CNCc2ccccc2C[NH3+])c([N+](=O)[O-])cc1O ZINC001579154262 1067244959 /nfs/dbraw/zinc/24/49/59/1067244959.db2.gz ZYAHXKGBBHESKP-UHFFFAOYSA-N 2 0 317.345 2.058 20 5 DEBDRP COc1ccc(C[C@H](C)[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246540773 1140948494 /nfs/dbraw/zinc/94/84/94/1140948494.db2.gz WULVHNUWMKUPMO-LBPRGKRZSA-N 2 0 307.394 2.205 20 5 DEBDRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000320061201 356443570 /nfs/dbraw/zinc/44/35/70/356443570.db2.gz UTRFPJXEMCOKFK-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000128561553 401783288 /nfs/dbraw/zinc/78/32/88/401783288.db2.gz AFBYPBKQJZMUOR-OAHLLOKOSA-N 2 0 320.437 2.273 20 5 DEBDRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc([N+](=O)[O-])cc1 ZINC000282154436 403127870 /nfs/dbraw/zinc/12/78/70/403127870.db2.gz CYTFKDMBKCEBSL-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000336862592 403936475 /nfs/dbraw/zinc/93/64/75/403936475.db2.gz JTXIRTCZAHEFTO-UHFFFAOYSA-N 2 0 307.394 2.425 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414921771 404767397 /nfs/dbraw/zinc/76/73/97/404767397.db2.gz FVBSAWUPDFDGMC-FRRDWIJNSA-N 2 0 320.393 2.171 20 5 DEBDRP COc1ccc(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000415002420 404785224 /nfs/dbraw/zinc/78/52/24/404785224.db2.gz DIWYZTSSKSBWJX-UONOGXRCSA-N 2 0 305.378 2.081 20 5 DEBDRP C[NH+](C)CCOC1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000353541914 404861316 /nfs/dbraw/zinc/86/13/16/404861316.db2.gz KCOCCGQFYZMTDP-UHFFFAOYSA-N 2 0 307.394 2.137 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424341262 405072848 /nfs/dbraw/zinc/07/28/48/405072848.db2.gz ZSUMTFRUESNDOV-ZIAGYGMSSA-N 2 0 320.393 2.091 20 5 DEBDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572505 405418263 /nfs/dbraw/zinc/41/82/63/405418263.db2.gz CHKFWIZNOLHTGA-CABCVRRESA-N 2 0 319.409 2.127 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423447619 405809102 /nfs/dbraw/zinc/80/91/02/405809102.db2.gz ZTSLXBQTMAGZNM-OLZOCXBDSA-N 2 0 322.409 2.419 20 5 DEBDRP C[C@@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423447622 278227329 /nfs/dbraw/zinc/22/73/29/278227329.db2.gz ZTSLXBQTMAGZNM-STQMWFEESA-N 2 0 322.409 2.419 20 5 DEBDRP CC[NH2+]CC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000261829797 535460420 /nfs/dbraw/zinc/46/04/20/535460420.db2.gz BKKASRYUASQEDE-UHFFFAOYSA-N 2 0 307.394 2.425 20 5 DEBDRP COc1c(O)ccc(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000894860386 637269647 /nfs/dbraw/zinc/26/96/47/637269647.db2.gz BWRRRIIXYLAQGK-GFCCVEGCSA-N 2 0 323.393 2.131 20 5 DEBDRP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841062200 650418902 /nfs/dbraw/zinc/41/89/02/650418902.db2.gz SWXYYCFWRWRRLG-HIFRSBDPSA-N 2 0 318.421 2.294 20 5 DEBDRP C[C@@H]1CCCN1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209926 641876770 /nfs/dbraw/zinc/87/67/70/641876770.db2.gz PQYQDDBPCJDLHR-QLFBSQMISA-N 2 0 321.425 2.349 20 5 DEBDRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000788622764 643629323 /nfs/dbraw/zinc/62/93/23/643629323.db2.gz CKFAWDVVULZOLJ-JSGCOSHPSA-N 2 0 324.425 2.184 20 5 DEBDRP C[C@@H](C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1)C[NH+](C)C ZINC000813877456 646818898 /nfs/dbraw/zinc/81/88/98/646818898.db2.gz WKWZMTXNCPHUKF-AWEZNQCLSA-N 2 0 320.437 2.351 20 5 DEBDRP C[C@@H]([NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000819101559 647583355 /nfs/dbraw/zinc/58/33/55/647583355.db2.gz BDATZWFAHLTXTL-DOMZBBRYSA-N 2 0 309.410 2.194 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151406 647595624 /nfs/dbraw/zinc/59/56/24/647595624.db2.gz BLBRGCVXDYAPIH-PBHICJAKSA-N 2 0 321.421 2.196 20 5 DEBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000819333082 647637459 /nfs/dbraw/zinc/63/74/59/647637459.db2.gz GAOYUYVWMSJNBW-QGZVFWFLSA-N 2 0 321.421 2.484 20 5 DEBDRP [NH3+]CCCCCC[NH+]1CCN(c2cccc([N+](=O)[O-])c2)CC1 ZINC000846220964 651315880 /nfs/dbraw/zinc/31/58/80/651315880.db2.gz FFZRLYXZVQNOEP-UHFFFAOYSA-N 2 0 306.410 2.236 20 5 DEBDRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019303 688914463 /nfs/dbraw/zinc/91/44/63/688914463.db2.gz VHNBOVHUWDYVPO-CYBMUJFWSA-N 2 0 324.400 2.022 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)c1 ZINC001335398318 1150406499 /nfs/dbraw/zinc/40/64/99/1150406499.db2.gz SQOSOFLUCFPCEZ-IXDOHACOSA-N 2 0 319.405 2.235 20 5 DEBDRP [NH3+]CCSCC[NH2+][C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1 ZINC001172902986 793522962 /nfs/dbraw/zinc/52/29/62/793522962.db2.gz OFRSGXJCNANUKC-CQSZACIVSA-N 2 0 309.435 2.124 20 5 DEBDRP CC[C@H]([NH3+])CN(C)[C@@H](C)Cc1c(F)c(OC)ccc1[N+](=O)[O-] ZINC001246981870 1141210168 /nfs/dbraw/zinc/21/01/68/1141210168.db2.gz SMOFSPWIQPUIJQ-QWRGUYRKSA-N 2 0 313.373 2.343 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)C[C@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001254599721 1143273635 /nfs/dbraw/zinc/27/36/35/1143273635.db2.gz PJFVVSMBNYKOFU-GOSISDBHSA-N 2 0 324.384 2.279 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000591278464 357699496 /nfs/dbraw/zinc/69/94/96/357699496.db2.gz DOZRZROTXSQCAI-OLZOCXBDSA-N 2 0 320.393 2.044 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@@H]2CCC[NH2+]CC2)n1 ZINC000591578378 357738489 /nfs/dbraw/zinc/73/84/89/357738489.db2.gz XMEMTOCBKRFLQY-MGPQQGTHSA-N 2 0 307.398 2.007 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cccc([N+](=O)[O-])c3)C2)C1 ZINC000593314690 358053353 /nfs/dbraw/zinc/05/33/53/358053353.db2.gz FNYVJKWNGVIQPB-UXLLHSPISA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508692 147147616 /nfs/dbraw/zinc/14/76/16/147147616.db2.gz LTNUBAWJGSSZFD-UHFFFAOYSA-N 2 0 305.378 2.049 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000127554885 401740106 /nfs/dbraw/zinc/74/01/06/401740106.db2.gz UGHJSIFYCWLCPS-GJZGRUSLSA-N 2 0 320.437 2.190 20 5 DEBDRP CN1CCC([N@@H+]2CC[C@H](Nc3ccc(F)cc3[N+](=O)[O-])C2)CC1 ZINC000369269394 404028125 /nfs/dbraw/zinc/02/81/25/404028125.db2.gz WIGQZDUUPCXLOR-ZDUSSCGKSA-N 2 0 322.384 2.314 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CCC[NH3+] ZINC000415023500 404789302 /nfs/dbraw/zinc/78/93/02/404789302.db2.gz MYSBWVVEZMATBA-NWDGAFQWSA-N 2 0 308.382 2.029 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338418 405325016 /nfs/dbraw/zinc/32/50/16/405325016.db2.gz XYFFOPRECPGUEO-LSDHHAIUSA-N 2 0 319.405 2.295 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000423447621 405808975 /nfs/dbraw/zinc/80/89/75/405808975.db2.gz ZTSLXBQTMAGZNM-QWHCGFSZSA-N 2 0 322.409 2.419 20 5 DEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCNCC1(F)F ZINC000423480063 405819105 /nfs/dbraw/zinc/81/91/05/405819105.db2.gz ORZSUJZQXAUVIJ-DGCLKSJQSA-N 2 0 313.348 2.360 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CCCN1CCC(O)CC1 ZINC000532208286 406055051 /nfs/dbraw/zinc/05/50/51/406055051.db2.gz FILKSOJHRUBPQD-CQSZACIVSA-N 2 0 321.421 2.401 20 5 DEBDRP Cc1cc(NC[C@H](C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336866331 280300002 /nfs/dbraw/zinc/30/00/02/280300002.db2.gz MAZSDZLUZJYSIO-NSHDSACASA-N 2 0 302.378 2.483 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000842471161 650747687 /nfs/dbraw/zinc/74/76/87/650747687.db2.gz GYVBOROZHKCJOA-HNNXBMFYSA-N 2 0 318.421 2.107 20 5 DEBDRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1c(F)cccc1[N+](=O)[O-] ZINC000872019304 688914295 /nfs/dbraw/zinc/91/42/95/688914295.db2.gz VHNBOVHUWDYVPO-ZDUSSCGKSA-N 2 0 324.400 2.022 20 5 DEBDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990270 785007149 /nfs/dbraw/zinc/00/71/49/785007149.db2.gz ZMVDVXYTFAMTGG-GOEBONIOSA-N 2 0 321.421 2.162 20 5 DEBDRP C[NH+](C)CCOc1cc(NCC[C@H]2CCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001169567679 785245601 /nfs/dbraw/zinc/24/56/01/785245601.db2.gz OOBLWGSDKRPQOT-CYBMUJFWSA-N 2 0 322.409 2.089 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]CCC[NH+](C)C)c1F ZINC001173174829 793618240 /nfs/dbraw/zinc/61/82/40/793618240.db2.gz DCIOHMNOILJHSE-LLVKDONJSA-N 2 0 313.373 2.215 20 5 DEBDRP [NH3+]CCCC[C@H]([NH3+])C(=O)Nc1cc2cccnc2c2ncccc12 ZINC001218980004 802268804 /nfs/dbraw/zinc/26/88/04/802268804.db2.gz OWXNHRIAICJAKO-AWEZNQCLSA-N 2 0 323.400 2.178 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001254599722 1143274176 /nfs/dbraw/zinc/27/41/76/1143274176.db2.gz PJFVVSMBNYKOFU-SFHVURJKSA-N 2 0 324.384 2.279 20 5 DEBDRP CCC[NH+]1C[C@@H]2C[NH+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610516 1143283136 /nfs/dbraw/zinc/28/31/36/1143283136.db2.gz KLFCFTGZIHRVPP-JFIYKMOQSA-N 2 0 315.417 2.336 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591278465 357699298 /nfs/dbraw/zinc/69/92/98/357699298.db2.gz DOZRZROTXSQCAI-QWHCGFSZSA-N 2 0 320.393 2.044 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCC[NH3+])CC1 ZINC000316480399 145363086 /nfs/dbraw/zinc/36/30/86/145363086.db2.gz RZGPTYADODROBU-CYBMUJFWSA-N 2 0 307.394 2.486 20 5 DEBDRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998484 403237700 /nfs/dbraw/zinc/23/77/00/403237700.db2.gz HSFOOKBSJGZVQR-TUKIKUTGSA-N 2 0 304.394 2.454 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337820830 404261486 /nfs/dbraw/zinc/26/14/86/404261486.db2.gz UGRDERNPNZQKPA-ZIAGYGMSSA-N 2 0 305.378 2.320 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424373066 405077787 /nfs/dbraw/zinc/07/77/87/405077787.db2.gz XIBBCLGMAPXCOC-NILFDRSVSA-N 2 0 320.393 2.171 20 5 DEBDRP O=[N+]([O-])c1cccc(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420308111 405313944 /nfs/dbraw/zinc/31/39/44/405313944.db2.gz CLFYEDOJCFTYMB-HNNXBMFYSA-N 2 0 318.421 2.107 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000423285703 405750259 /nfs/dbraw/zinc/75/02/59/405750259.db2.gz ZVCWZRYTROPKPJ-RBSFLKMASA-N 2 0 321.425 2.254 20 5 DEBDRP C[C@@H]1C[C@H](C)[N@H+](CCOc2ccccc2[N+](=O)[O-])C[C@@H]1C[NH3+] ZINC000422625626 230157991 /nfs/dbraw/zinc/15/79/91/230157991.db2.gz CAWYXEWKIYOTJX-RDBSUJKOSA-N 2 0 307.394 2.279 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423474431 279674005 /nfs/dbraw/zinc/67/40/05/279674005.db2.gz OUYMBTBLGDJGGQ-XGUBFFRZSA-N 2 0 321.425 2.382 20 5 DEBDRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc([N+](=O)[O-])cc1 ZINC000186589762 289483488 /nfs/dbraw/zinc/48/34/88/289483488.db2.gz CAOCWQDSHOCXCG-CABCVRRESA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000923364790 637137812 /nfs/dbraw/zinc/13/78/12/637137812.db2.gz OJXWWFLLJDBJLW-SJORKVTESA-N 2 0 319.405 2.092 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@@H](C)[NH+](C)C ZINC000895292287 637896204 /nfs/dbraw/zinc/89/62/04/637896204.db2.gz AXVXLDLNFHDVFB-CHWSQXEVSA-N 2 0 322.409 2.242 20 5 DEBDRP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841085047 650426301 /nfs/dbraw/zinc/42/63/01/650426301.db2.gz STVVKNRDHQFYRG-ZFWWWQNUSA-N 2 0 318.421 2.281 20 5 DEBDRP C[NH+](C)CC1(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CCCC1 ZINC000819226610 647612530 /nfs/dbraw/zinc/61/25/30/647612530.db2.gz HBOJLPCRYRBGDS-INIZCTEOSA-N 2 0 321.421 2.340 20 5 DEBDRP [NH3+]CC1(CC[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000844903290 651180972 /nfs/dbraw/zinc/18/09/72/651180972.db2.gz AJHYCSUJNMPGON-UHFFFAOYSA-N 2 0 318.421 2.282 20 5 DEBDRP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1[N+](=O)[O-] ZINC000866012005 687407986 /nfs/dbraw/zinc/40/79/86/687407986.db2.gz OJXQZIKPGBOWQR-HUUCEWRRSA-N 2 0 320.437 2.079 20 5 DEBDRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1[N+](=O)[O-] ZINC000873253225 689194948 /nfs/dbraw/zinc/19/49/48/689194948.db2.gz VHQMWPNJHZFRRU-HRCADAONSA-N 2 0 319.405 2.150 20 5 DEBDRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc([N+](=O)[O-])c1 ZINC000873290445 689203329 /nfs/dbraw/zinc/20/33/29/689203329.db2.gz QJJIEMRFUCBHMG-CZUORRHYSA-N 2 0 319.405 2.404 20 5 DEBDRP CC(C)C[N@H+](C)CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877609316 690166384 /nfs/dbraw/zinc/16/63/84/690166384.db2.gz KHVSWRQNYOBKRR-UHFFFAOYSA-N 2 0 309.414 2.062 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000925803542 693344396 /nfs/dbraw/zinc/34/43/96/693344396.db2.gz QPMXEGPDHZQBQI-APIJFGDWSA-N 2 0 321.425 2.110 20 5 DEBDRP C[C@@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173223538 793640675 /nfs/dbraw/zinc/64/06/75/793640675.db2.gz GJBHIZGQJRISKC-IMJJTQAJSA-N 2 0 303.406 2.409 20 5 DEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC001579877686 1067444151 /nfs/dbraw/zinc/44/41/51/1067444151.db2.gz YRUZPJBNKXDTRJ-OAHLLOKOSA-N 2 0 317.393 2.170 20 5 DEBDRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@H](C)C1 ZINC000089580589 355536883 /nfs/dbraw/zinc/53/68/83/355536883.db2.gz SLUMTNICRHSBHN-CJNGLKHVSA-N 2 0 307.394 2.294 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591278463 357699072 /nfs/dbraw/zinc/69/90/72/357699072.db2.gz DOZRZROTXSQCAI-CHWSQXEVSA-N 2 0 320.393 2.044 20 5 DEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]CCCC[NH+]1CCOCC1 ZINC000449081815 240033363 /nfs/dbraw/zinc/03/33/63/240033363.db2.gz IEUPJRNGWDRFLW-HNNXBMFYSA-N 2 0 321.421 2.228 20 5 DEBDRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000186589784 296145853 /nfs/dbraw/zinc/14/58/53/296145853.db2.gz CAOCWQDSHOCXCG-LSDHHAIUSA-N 2 0 320.437 2.271 20 5 DEBDRP C[NH2+]CCC1CC[NH+](Cc2cc([N+](=O)[O-])ccc2OC)CC1 ZINC000261970334 145247670 /nfs/dbraw/zinc/24/76/70/145247670.db2.gz PZUQQMIAEYBAEK-UHFFFAOYSA-N 2 0 307.394 2.425 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357094484 147040710 /nfs/dbraw/zinc/04/07/10/147040710.db2.gz YGSSISNBSBOLGR-OAHLLOKOSA-N 2 0 319.405 2.295 20 5 DEBDRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000154734815 402228910 /nfs/dbraw/zinc/22/89/10/402228910.db2.gz GJVPWWZPGUUAMQ-UHFFFAOYSA-N 2 0 307.394 2.377 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155004577 402241218 /nfs/dbraw/zinc/24/12/18/402241218.db2.gz GASFAZRFTOPSFV-HUUCEWRRSA-N 2 0 320.437 2.190 20 5 DEBDRP CC[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063423 402243909 /nfs/dbraw/zinc/24/39/09/402243909.db2.gz HECCWZXBZDTXTK-PBHICJAKSA-N 2 0 320.437 2.271 20 5 DEBDRP Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261884031 402718636 /nfs/dbraw/zinc/71/86/36/402718636.db2.gz MXVIVZKSEUUPOD-QWHCGFSZSA-N 2 0 312.373 2.497 20 5 DEBDRP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000284158179 403250269 /nfs/dbraw/zinc/25/02/69/403250269.db2.gz PRUBWDDFHZOSLH-VXGBXAGGSA-N 2 0 304.394 2.312 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414921773 404767068 /nfs/dbraw/zinc/76/70/68/404767068.db2.gz FVBSAWUPDFDGMC-UPJWGTAASA-N 2 0 320.393 2.171 20 5 DEBDRP COc1cc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000753 404785361 /nfs/dbraw/zinc/78/53/61/404785361.db2.gz UCJOPVXEZUWNKR-WCQYABFASA-N 2 0 323.393 2.219 20 5 DEBDRP COc1ccc(OCC[N@H+](C)[C@H]2CCC[NH2+]CC2)c([N+](=O)[O-])c1 ZINC000435620634 404997062 /nfs/dbraw/zinc/99/70/62/404997062.db2.gz DUKOHFPJMNFFBL-ZDUSSCGKSA-N 2 0 323.393 2.056 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321583 229652740 /nfs/dbraw/zinc/65/27/40/229652740.db2.gz CXTFXKZKVNQPPJ-CVEARBPZSA-N 2 0 303.406 2.459 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046594 275040007 /nfs/dbraw/zinc/04/00/07/275040007.db2.gz XPJMWFBNXQBHAF-LAWJPMAJSA-N 2 0 301.390 2.113 20 5 DEBDRP C[C@H](C[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1)C[NH+](C)C ZINC000293369473 278210073 /nfs/dbraw/zinc/21/00/73/278210073.db2.gz HUZSDELDJQIHHR-CHWSQXEVSA-N 2 0 322.409 2.099 20 5 DEBDRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765451969 640779900 /nfs/dbraw/zinc/77/99/00/640779900.db2.gz URMIYVQFAIMXJM-CQSZACIVSA-N 2 0 320.437 2.493 20 5 DEBDRP C[NH+]1CCC(C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC1 ZINC000788474288 643613802 /nfs/dbraw/zinc/61/38/02/643613802.db2.gz QDYUBDOVVQKTNH-UHFFFAOYSA-N 2 0 318.421 2.059 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984351 647558058 /nfs/dbraw/zinc/55/80/58/647558058.db2.gz FJVCOHQLIQNBPN-RHSMWYFYSA-N 2 0 321.421 2.338 20 5 DEBDRP CC[NH+](CC)CC[C@@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000883160394 691444336 /nfs/dbraw/zinc/44/43/36/691444336.db2.gz OLYQPKBVVTXHBU-HNNXBMFYSA-N 2 0 309.410 2.086 20 5 DEBDRP [NH3+]C1(Cc2ccccc2)CC[NH+]([C@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168996994 784996940 /nfs/dbraw/zinc/99/69/40/784996940.db2.gz APTASENCVAZTRB-SJORKVTESA-N 2 0 317.433 2.468 20 5 DEBDRP C[NH+]1CCC(C2CC[NH+]([C@H]3CC[C@H](C[N+](=O)[O-])C3)CC2)CC1 ZINC001169034003 785010857 /nfs/dbraw/zinc/01/08/57/785010857.db2.gz DYTNZXNALKCDSW-YOEHRIQHSA-N 2 0 309.454 2.486 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@@H](C)C[NH3+])c1F ZINC001173178210 793619996 /nfs/dbraw/zinc/61/99/96/793619996.db2.gz BMMFCRLATAZMMV-QWRGUYRKSA-N 2 0 313.373 2.200 20 5 DEBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2cccc([N+](=O)[O-])c2)CC1 ZINC001204450021 800216769 /nfs/dbraw/zinc/21/67/69/800216769.db2.gz HWJQOAMSVFMNRF-UHFFFAOYSA-N 2 0 313.361 2.485 20 5 DEBDRP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)ccc1[N+](=O)[O-] ZINC001578166368 1067003319 /nfs/dbraw/zinc/00/33/19/1067003319.db2.gz WFFOKXDBBRGZAD-TZMCWYRMSA-N 2 0 307.394 2.410 20 5 DEBDRP COc1cc(C[NH2+]CC[C@@H]2CCC[NH2+]CC2)c([N+](=O)[O-])cc1O ZINC001579152806 1067244458 /nfs/dbraw/zinc/24/44/58/1067244458.db2.gz IQECRFIBHJRIOP-GFCCVEGCSA-N 2 0 323.393 2.178 20 5 DEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711175 186105436 /nfs/dbraw/zinc/10/54/36/186105436.db2.gz KYDHJKQJIDQERI-CABCVRRESA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000592475748 357883438 /nfs/dbraw/zinc/88/34/38/357883438.db2.gz HLDWYNBXLQLZIL-ZDUSSCGKSA-N 2 0 305.378 2.048 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314265 358052525 /nfs/dbraw/zinc/05/25/25/358052525.db2.gz BLWYLHQEZTZTAC-ZMSDIMECSA-N 2 0 319.405 2.313 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346659595 146119412 /nfs/dbraw/zinc/11/94/12/146119412.db2.gz UXPNMWCWJAVEFB-UHFFFAOYSA-N 2 0 307.394 2.233 20 5 DEBDRP Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000261884029 402718607 /nfs/dbraw/zinc/71/86/07/402718607.db2.gz MXVIVZKSEUUPOD-OLZOCXBDSA-N 2 0 312.373 2.497 20 5 DEBDRP C[NH2+]C[C@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262116034 402722426 /nfs/dbraw/zinc/72/24/26/402722426.db2.gz KFDNPFFCKLXANG-GFCCVEGCSA-N 2 0 300.362 2.497 20 5 DEBDRP CC[N@H+](CCOc1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]CC1 ZINC000435631044 404999076 /nfs/dbraw/zinc/99/90/76/404999076.db2.gz ZNLNGNASHWTCAU-AWEZNQCLSA-N 2 0 307.394 2.438 20 5 DEBDRP C[C@H]1CC2(C[N@@H+]1CCOc1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000424302448 405063079 /nfs/dbraw/zinc/06/30/79/405063079.db2.gz ZNXQTYRJIQYTAS-AWEZNQCLSA-N 2 0 319.405 2.438 20 5 DEBDRP Cc1c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000420324547 405319552 /nfs/dbraw/zinc/31/95/52/405319552.db2.gz CCONMNABTNXMQF-WBVHZDCISA-N 2 0 319.405 2.231 20 5 DEBDRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]1 ZINC000423371204 278030020 /nfs/dbraw/zinc/03/00/20/278030020.db2.gz FDAJAYFEGKJNAM-YIYPIFLZSA-N 2 0 307.398 2.005 20 5 DEBDRP C[NH+](C)CCN(C/C=C/c1ccccc1[N+](=O)[O-])CC[NH+](C)C ZINC000583591907 335752723 /nfs/dbraw/zinc/75/27/23/335752723.db2.gz KCFVVGKCHDOSRR-VQHVLOKHSA-N 2 0 320.437 2.033 20 5 DEBDRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000923414717 637167950 /nfs/dbraw/zinc/16/79/50/637167950.db2.gz NIKWTBBROKPIAU-DOTOQJQBSA-N 2 0 321.421 2.325 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000841037579 650410824 /nfs/dbraw/zinc/41/08/24/650410824.db2.gz VRSBGBSOVKEVCV-AWEZNQCLSA-N 2 0 318.421 2.153 20 5 DEBDRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064703 650419809 /nfs/dbraw/zinc/41/98/09/650419809.db2.gz UEZGQBXKOQHNRL-DYVFJYSZSA-N 2 0 318.421 2.151 20 5 DEBDRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000902359601 643018777 /nfs/dbraw/zinc/01/87/77/643018777.db2.gz DVFDHEJJNKPCQS-CYBMUJFWSA-N 2 0 307.394 2.341 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151862 647595599 /nfs/dbraw/zinc/59/55/99/647595599.db2.gz GRDBASGZAFHGIJ-PBHICJAKSA-N 2 0 321.421 2.196 20 5 DEBDRP C[C@@H](CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000819227174 647612274 /nfs/dbraw/zinc/61/22/74/647612274.db2.gz BGJLQEZTJXUSAG-YOEHRIQHSA-N 2 0 321.421 2.482 20 5 DEBDRP C[C@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876897479 689967469 /nfs/dbraw/zinc/96/74/69/689967469.db2.gz UEXCFANMDHEJLX-NFOMZHRRSA-N 2 0 321.425 2.349 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000925803545 693344243 /nfs/dbraw/zinc/34/42/43/693344243.db2.gz QPMXEGPDHZQBQI-TUVASFSCSA-N 2 0 321.425 2.110 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001332366285 1149853910 /nfs/dbraw/zinc/85/39/10/1149853910.db2.gz XLJJUKSPSXHZDP-MRXNPFEDSA-N 2 0 319.405 2.094 20 5 DEBDRP O=[N+]([O-])c1cc2c(cc1NCC13CC[NH+](CC1)CC3)C[NH2+]C2 ZINC001169796368 785373257 /nfs/dbraw/zinc/37/32/57/785373257.db2.gz MPLVRUHRPBSRFK-UHFFFAOYSA-N 2 0 302.378 2.096 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170300170 786894289 /nfs/dbraw/zinc/89/42/89/786894289.db2.gz YAAXAJXNXCLDAU-ZDUSSCGKSA-N 2 0 309.410 2.466 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[N@H+](C)C[C@H](C)C[NH3+])c1F ZINC001173178208 793620909 /nfs/dbraw/zinc/62/09/09/793620909.db2.gz BMMFCRLATAZMMV-GHMZBOCLSA-N 2 0 313.373 2.200 20 5 DEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)N(CCC[NH3+])CCC[NH+](C)C ZINC001173235922 793646964 /nfs/dbraw/zinc/64/69/64/793646964.db2.gz WAZDMXQEIXNVGT-OAHLLOKOSA-N 2 0 322.453 2.128 20 5 DEBDRP CC[NH+]1CCC(C[NH+]2CCC(n3ccc([N+](=O)[O-])n3)CC2)CC1 ZINC001652359097 1079872748 /nfs/dbraw/zinc/87/27/48/1079872748.db2.gz RFFUNLNYXBNGQU-UHFFFAOYSA-N 2 0 321.425 2.160 20 5 DEBDRP COc1ccc(C[C@H](C)[N@@H+]2CCC[C@@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539211 1140943856 /nfs/dbraw/zinc/94/38/56/1140943856.db2.gz FNAVYSMCBKIJEG-GXTWGEPZSA-N 2 0 307.394 2.348 20 5 DEBDRP C[C@H]1C[N@@H+]([C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C[C@H]1C[NH3+] ZINC001246542408 1140946781 /nfs/dbraw/zinc/94/67/81/1140946781.db2.gz OWWJXBBRPZWYEU-MAZHCROVSA-N 2 0 303.406 2.369 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@H]3[NH2+]CC[C@H]31)CC2 ZINC001246642117 1141020907 /nfs/dbraw/zinc/02/09/07/1141020907.db2.gz ZGYWTJBGKJXPQI-DJIMGWMZSA-N 2 0 301.390 2.278 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000591578375 357737613 /nfs/dbraw/zinc/73/76/13/357737613.db2.gz XMEMTOCBKRFLQY-BFHYXJOUSA-N 2 0 307.398 2.007 20 5 DEBDRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438288 357876811 /nfs/dbraw/zinc/87/68/11/357876811.db2.gz IFEJRBAZMANVCB-VXGBXAGGSA-N 2 0 317.393 2.211 20 5 DEBDRP C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@H]1CC[NH3+] ZINC000593733992 358132479 /nfs/dbraw/zinc/13/24/79/358132479.db2.gz QOKJWHZYAUOPSI-BBRMVZONSA-N 2 0 307.394 2.423 20 5 DEBDRP COCC[NH2+]CCNc1cc(C)[nH+]c2ccc([N+](=O)[O-])cc12 ZINC000262135647 145265105 /nfs/dbraw/zinc/26/51/05/145265105.db2.gz LVVBNGMSGBSKPS-UHFFFAOYSA-N 2 0 304.350 2.099 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000566414394 292236750 /nfs/dbraw/zinc/23/67/50/292236750.db2.gz ZPMBPJDPRHWLPP-STQMWFEESA-N 2 0 320.393 2.043 20 5 DEBDRP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672274 403156305 /nfs/dbraw/zinc/15/63/05/403156305.db2.gz VCKPCFCLERYHEI-RHSMWYFYSA-N 2 0 321.421 2.292 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423367584 405780515 /nfs/dbraw/zinc/78/05/15/405780515.db2.gz CUQPNHYRIKGQSQ-YRGRVCCFSA-N 2 0 320.393 2.171 20 5 DEBDRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921182 230277372 /nfs/dbraw/zinc/27/73/72/230277372.db2.gz NOYRIYQTVIVOOH-JQFCIGGWSA-N 2 0 321.421 2.259 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423447617 278168990 /nfs/dbraw/zinc/16/89/90/278168990.db2.gz ZTSLXBQTMAGZNM-CHWSQXEVSA-N 2 0 322.409 2.419 20 5 DEBDRP COc1cc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000442920373 533804646 /nfs/dbraw/zinc/80/46/46/533804646.db2.gz KZYLIYKCHUMJTH-LBPRGKRZSA-N 2 0 323.393 2.173 20 5 DEBDRP C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000923386684 637155243 /nfs/dbraw/zinc/15/52/43/637155243.db2.gz AGWRHIHKIPPMHB-KBRIMQKVSA-N 2 0 321.421 2.468 20 5 DEBDRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841005782 640569226 /nfs/dbraw/zinc/56/92/26/640569226.db2.gz KBORMCPVTINOLW-CABCVRRESA-N 2 0 318.421 2.105 20 5 DEBDRP CC(C)[C@@H]([NH3+])C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841029376 640848300 /nfs/dbraw/zinc/84/83/00/640848300.db2.gz GUCOVSLDEFUECT-INIZCTEOSA-N 2 0 306.410 2.137 20 5 DEBDRP Cc1ccc([N+](=O)[O-])c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866011265 687407844 /nfs/dbraw/zinc/40/78/44/687407844.db2.gz BONPLPYCOHTEOX-HUUCEWRRSA-N 2 0 320.437 2.079 20 5 DEBDRP Cc1cccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1[N+](=O)[O-] ZINC000866011505 687407991 /nfs/dbraw/zinc/40/79/91/687407991.db2.gz FTDDALILRXRBMW-HUUCEWRRSA-N 2 0 320.437 2.079 20 5 DEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872228905 688958318 /nfs/dbraw/zinc/95/83/18/688958318.db2.gz MOFVWCVIQPJUOX-ARWYELJZSA-N 2 0 321.421 2.481 20 5 DEBDRP CCC[NH+]1CCC(C[NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000877019378 689998835 /nfs/dbraw/zinc/99/88/35/689998835.db2.gz LSAABXWRKXZPGK-UHFFFAOYSA-N 2 0 321.425 2.206 20 5 DEBDRP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000925848602 693352643 /nfs/dbraw/zinc/35/26/43/693352643.db2.gz IYYHZNSPJNXCRU-HNNXBMFYSA-N 2 0 320.437 2.321 20 5 DEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001168988375 785005305 /nfs/dbraw/zinc/00/53/05/785005305.db2.gz RLQZNBUXOPSJOQ-HIFRSBDPSA-N 2 0 304.394 2.085 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])c1 ZINC001170299134 786894855 /nfs/dbraw/zinc/89/48/55/786894855.db2.gz QPNDBCXVIQSYSC-KWCYVHTRSA-N 2 0 307.394 2.394 20 5 DEBDRP C[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899711 793522797 /nfs/dbraw/zinc/52/27/97/793522797.db2.gz OWTVANSDTUSZQI-CJNGLKHVSA-N 2 0 303.406 2.384 20 5 DEBDRP C[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3ccc([N+](=O)[O-])cc3CC2)C1 ZINC001172899708 793522978 /nfs/dbraw/zinc/52/29/78/793522978.db2.gz OWTVANSDTUSZQI-BBRMVZONSA-N 2 0 303.406 2.384 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)n2ccnc2CC[NH3+])c1F ZINC001173179220 793620133 /nfs/dbraw/zinc/62/01/33/793620133.db2.gz OHTNDCMRCVVNSY-SNVBAGLBSA-N 2 0 322.340 2.244 20 5 DEBDRP [NH3+]CCc1cn(-c2ncc(Cl)cc2[N+](=O)[O-])c2cc[nH+]cc12 ZINC001160944366 798766947 /nfs/dbraw/zinc/76/69/47/798766947.db2.gz GNTNWKKHHBYLNT-UHFFFAOYSA-N 2 0 317.736 2.483 20 5 DEBDRP [NH3+][C@@H](Cc1c2ccccc2cc2ccccc21)C(=O)N1CC[NH2+]C1 ZINC001161418653 798851063 /nfs/dbraw/zinc/85/10/63/798851063.db2.gz JVZJMJRQYOXGOD-IBGZPJMESA-N 2 0 319.408 2.252 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@@H](C)[NH2+]C2CC[NH2+]CC2)c1F ZINC001246072098 1140857594 /nfs/dbraw/zinc/85/75/94/1140857594.db2.gz FCUFZBUOCZQCPU-SNVBAGLBSA-N 2 0 311.357 2.015 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+][C@@H](C1CC1)C1C[NH2+]C1)CC2 ZINC001246513359 1140931937 /nfs/dbraw/zinc/93/19/37/1140931937.db2.gz DJQCFEYHWVIBBI-AEFFLSMTSA-N 2 0 315.417 2.430 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@@H](C1CC1)C1C[NH2+]C1)CC2 ZINC001246513362 1140932599 /nfs/dbraw/zinc/93/25/99/1140932599.db2.gz DJQCFEYHWVIBBI-WMZOPIPTSA-N 2 0 315.417 2.430 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+][C@H](C1CC1)C1C[NH2+]C1)CC2 ZINC001246513360 1140933076 /nfs/dbraw/zinc/93/30/76/1140933076.db2.gz DJQCFEYHWVIBBI-FUHWJXTLSA-N 2 0 315.417 2.430 20 5 DEBDRP C[C@@H]1C[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CCC[C@H]1C[NH3+] ZINC001246566800 1140971180 /nfs/dbraw/zinc/97/11/80/1140971180.db2.gz JRJJTZVAPOVNAY-IFIJOSMWSA-N 2 0 303.406 2.369 20 5 DEBDRP C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000593730829 358132213 /nfs/dbraw/zinc/13/22/13/358132213.db2.gz HZWHYUBPRODLLZ-CJNGLKHVSA-N 2 0 307.394 2.423 20 5 DEBDRP C[C@H]1C[N@H+](CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000602633704 360468767 /nfs/dbraw/zinc/46/87/67/360468767.db2.gz NYVLLVDBXYICCU-HNNXBMFYSA-N 2 0 321.421 2.228 20 5 DEBDRP O=[N+]([O-])c1ccccc1N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420303548 285163623 /nfs/dbraw/zinc/16/36/23/285163623.db2.gz KQYGVIJOGWOFEF-HNNXBMFYSA-N 2 0 318.421 2.107 20 5 DEBDRP Cc1c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000155005655 197012669 /nfs/dbraw/zinc/01/26/69/197012669.db2.gz ZFVKZEUQHQJFDF-UKRRQHHQSA-N 2 0 320.437 2.190 20 5 DEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321690 402692290 /nfs/dbraw/zinc/69/22/90/402692290.db2.gz TXQHAYRZGDXSGL-HUUCEWRRSA-N 2 0 320.437 2.271 20 5 DEBDRP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000278760856 402870510 /nfs/dbraw/zinc/87/05/10/402870510.db2.gz NQAPLIQWBMBUIZ-BETUJISGSA-N 2 0 312.373 2.449 20 5 DEBDRP COc1cc(C[NH2+]CC2(C)CC[NH+](C)CC2)c([N+](=O)[O-])cc1O ZINC000272417168 402934703 /nfs/dbraw/zinc/93/47/03/402934703.db2.gz CVQJTXDJSAZSQH-UHFFFAOYSA-N 2 0 323.393 2.131 20 5 DEBDRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1[N+](=O)[O-] ZINC000341181189 403809920 /nfs/dbraw/zinc/80/99/20/403809920.db2.gz HHOQYDFSKVALIL-UHFFFAOYSA-N 2 0 307.394 2.377 20 5 DEBDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134302 404815908 /nfs/dbraw/zinc/81/59/08/404815908.db2.gz VXKOXPNRFOCGEW-IRXDYDNUSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000420324106 405319603 /nfs/dbraw/zinc/31/96/03/405319603.db2.gz ZACMYVZRYDBIHV-CYBMUJFWSA-N 2 0 320.393 2.127 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331488 405322081 /nfs/dbraw/zinc/32/20/81/405322081.db2.gz QVUGKRUESJEDBP-ZIAGYGMSSA-N 2 0 319.405 2.343 20 5 DEBDRP CC[C@@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447155 405809150 /nfs/dbraw/zinc/80/91/50/405809150.db2.gz ZMZGDGMLCJWPDV-UUIJZJDISA-N 2 0 307.419 2.273 20 5 DEBDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000348398736 535577853 /nfs/dbraw/zinc/57/78/53/535577853.db2.gz UAOCXVMBEHDWSV-GJZGRUSLSA-N 2 0 323.441 2.282 20 5 DEBDRP C[C@H]1CC2(C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383015 637149580 /nfs/dbraw/zinc/14/95/80/637149580.db2.gz GMXDFHRBJXDOCH-BBRMVZONSA-N 2 0 319.405 2.092 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449710 637188465 /nfs/dbraw/zinc/18/84/65/637188465.db2.gz QEEGWVSXQKTSBC-KBPBESRZSA-N 2 0 319.405 2.486 20 5 DEBDRP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064705 650420044 /nfs/dbraw/zinc/42/00/44/650420044.db2.gz UEZGQBXKOQHNRL-SUMWQHHRSA-N 2 0 318.421 2.151 20 5 DEBDRP C[C@H](C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCCC1 ZINC000818968515 647552410 /nfs/dbraw/zinc/55/24/10/647552410.db2.gz CSQOTGLEWQVDSO-RHSMWYFYSA-N 2 0 321.421 2.340 20 5 DEBDRP C[C@@H]([NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C(C)(C)C[NH+](C)C ZINC000819101560 647584102 /nfs/dbraw/zinc/58/41/02/647584102.db2.gz BDATZWFAHLTXTL-IUODEOHRSA-N 2 0 309.410 2.194 20 5 DEBDRP C[C@H](CC[NH2+]C[C@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000819227171 647612515 /nfs/dbraw/zinc/61/25/15/647612515.db2.gz BGJLQEZTJXUSAG-PBHICJAKSA-N 2 0 321.421 2.482 20 5 DEBDRP CC(C)C[NH+]1CCC([NH2+]C2CC(n3cc([N+](=O)[O-])cn3)C2)CC1 ZINC000876923570 689974534 /nfs/dbraw/zinc/97/45/34/689974534.db2.gz DKROPUGDBCOIQU-UHFFFAOYSA-N 2 0 321.425 2.205 20 5 DEBDRP C[C@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000877315273 690074728 /nfs/dbraw/zinc/07/47/28/690074728.db2.gz MLYGWQRNHLBJIJ-WLYUNCDWSA-N 2 0 321.425 2.349 20 5 DEBDRP C[NH+]1CCC2(CC[N@H+](C[C@H](O)c3ccc([N+](=O)[O-])cc3)C2)CC1 ZINC000878867552 690517171 /nfs/dbraw/zinc/51/71/71/690517171.db2.gz USJSEWNBQWIAAR-INIZCTEOSA-N 2 0 319.405 2.046 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487185 694410370 /nfs/dbraw/zinc/41/03/70/694410370.db2.gz VCGVBYMXMCPUEW-CYBMUJFWSA-N 2 0 307.394 2.044 20 5 DEBDRP CCO[C@@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961647 693536197 /nfs/dbraw/zinc/53/61/97/693536197.db2.gz PQIUZOWEMDYFNC-WFASDCNBSA-N 2 0 307.394 2.138 20 5 DEBDRP Cc1c[nH+]ccc1N([C@H]1CC[C@H](C[N+](=O)[O-])C1)C1CC[NH2+]CC1 ZINC001169053091 785022978 /nfs/dbraw/zinc/02/29/78/785022978.db2.gz HKGMHFZBGKDLSY-HOCLYGCPSA-N 2 0 318.421 2.394 20 5 DEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170897692 789643896 /nfs/dbraw/zinc/64/38/96/789643896.db2.gz IYRQEMDSFHVESZ-AWEZNQCLSA-N 2 0 301.350 2.092 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC001118198337 795164394 /nfs/dbraw/zinc/16/43/94/795164394.db2.gz LCWDRRKRRFEBOB-UHFFFAOYSA-N 2 0 319.405 2.439 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100278 1140860827 /nfs/dbraw/zinc/86/08/27/1140860827.db2.gz ODBZHFXDLNQVAQ-HZSPNIEDSA-N 2 0 321.421 2.370 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591281850 357699190 /nfs/dbraw/zinc/69/91/90/357699190.db2.gz OYBUNLQMUSVWKA-HNNXBMFYSA-N 2 0 305.378 2.225 20 5 DEBDRP CC(C)c1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1[N+](=O)[O-] ZINC000592428479 357875216 /nfs/dbraw/zinc/87/52/16/357875216.db2.gz QMKDOALPALPESS-UHFFFAOYSA-N 2 0 320.437 2.055 20 5 DEBDRP C[C@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@@H]1CC[NH3+] ZINC000593730824 358132228 /nfs/dbraw/zinc/13/22/28/358132228.db2.gz HQRRIIQLWVIPPB-UONOGXRCSA-N 2 0 307.394 2.423 20 5 DEBDRP C[C@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733995 358132952 /nfs/dbraw/zinc/13/29/52/358132952.db2.gz QOKJWHZYAUOPSI-XJKSGUPXSA-N 2 0 307.394 2.423 20 5 DEBDRP C[NH+](C)CCOC1CC[NH+](CCc2ccc([N+](=O)[O-])cc2)CC1 ZINC000609564298 361320015 /nfs/dbraw/zinc/32/00/15/361320015.db2.gz GSWNLGMPIYXQPX-UHFFFAOYSA-N 2 0 321.421 2.180 20 5 DEBDRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000154310866 402205225 /nfs/dbraw/zinc/20/52/25/402205225.db2.gz QYKIJTOQRMAMDE-HNNXBMFYSA-N 2 0 320.437 2.273 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342094233 404362392 /nfs/dbraw/zinc/36/23/92/404362392.db2.gz FCPFXOJZLLDNOA-APHBMKBZSA-N 2 0 305.378 2.033 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]CCC[NH2+]C1CC1 ZINC000415067247 404799754 /nfs/dbraw/zinc/79/97/54/404799754.db2.gz KGQLRXNFFCJKKQ-LBPRGKRZSA-N 2 0 320.393 2.044 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CC[C@H]2CCC[NH2+]C2)n1 ZINC000423285701 405750344 /nfs/dbraw/zinc/75/03/44/405750344.db2.gz ZVCWZRYTROPKPJ-QLFBSQMISA-N 2 0 321.425 2.254 20 5 DEBDRP C[C@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@@H]1CCNCC1(F)F ZINC000423480066 405819813 /nfs/dbraw/zinc/81/98/13/405819813.db2.gz ORZSUJZQXAUVIJ-YPMHNXCESA-N 2 0 313.348 2.360 20 5 DEBDRP Cc1cc(NC[C@@H](C)C[NH+](C)C)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336866330 280300016 /nfs/dbraw/zinc/30/00/16/280300016.db2.gz MAZSDZLUZJYSIO-LLVKDONJSA-N 2 0 302.378 2.483 20 5 DEBDRP CC[NH2+]CC1CC[NH+](Cc2ccc(OC)c([N+](=O)[O-])c2)CC1 ZINC000261956439 535459433 /nfs/dbraw/zinc/45/94/33/535459433.db2.gz NYULEAYTLGAUAZ-UHFFFAOYSA-N 2 0 307.394 2.425 20 5 DEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000449749154 535674695 /nfs/dbraw/zinc/67/46/95/535674695.db2.gz FBCDHESEXXIZLF-UHFFFAOYSA-N 2 0 320.437 2.101 20 5 DEBDRP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841056591 650416083 /nfs/dbraw/zinc/41/60/83/650416083.db2.gz AEXRNKJSTBSYLJ-DZGCQCFKSA-N 2 0 318.421 2.423 20 5 DEBDRP C[NH+](C)C1CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796756293 644787604 /nfs/dbraw/zinc/78/76/04/644787604.db2.gz UREVLRIFQGPEGT-XUJLQICISA-N 2 0 307.394 2.091 20 5 DEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)c1 ZINC000819266754 647621935 /nfs/dbraw/zinc/62/19/35/647621935.db2.gz HNGZELZMZQKDDR-KRWDZBQOSA-N 2 0 319.405 2.092 20 5 DEBDRP CC[C@@H]1[NH2+]CC[C@H]1NC1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000863543450 686518180 /nfs/dbraw/zinc/51/81/80/686518180.db2.gz PDCWMWBLRGWOSN-DLBZAZTESA-N 2 0 318.421 2.294 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1cc([N+](=O)[O-])cc(C(F)(F)F)c1 ZINC001167877723 778741337 /nfs/dbraw/zinc/74/13/37/778741337.db2.gz BSZRYNCBRLRNAB-UHFFFAOYSA-N 2 0 319.287 2.289 20 5 DEBDRP O=[N+]([O-])C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001168988376 785005297 /nfs/dbraw/zinc/00/52/97/785005297.db2.gz RLQZNBUXOPSJOQ-UKRRQHHQSA-N 2 0 304.394 2.085 20 5 DEBDRP [NH3+]CCC[C@H]([NH3+])Nc1nc(-c2ccccc2)ccc1[N+](=O)[O-] ZINC001170897693 789643684 /nfs/dbraw/zinc/64/36/84/789643684.db2.gz IYRQEMDSFHVESZ-CQSZACIVSA-N 2 0 301.350 2.092 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)N(CC[NH3+])C(C)C)c1F ZINC001173178947 793620093 /nfs/dbraw/zinc/62/00/93/793620093.db2.gz NOZZMAJIWKJSSS-NSHDSACASA-N 2 0 313.373 2.343 20 5 DEBDRP COCCC1([NH3+])CC[NH+]([C@@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173218116 793635514 /nfs/dbraw/zinc/63/55/14/793635514.db2.gz BFSVLLVUBUBJMZ-AWEZNQCLSA-N 2 0 321.421 2.356 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]CC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC001246075674 1140857704 /nfs/dbraw/zinc/85/77/04/1140857704.db2.gz MJFDILOFGNFCAB-LBPRGKRZSA-N 2 0 307.394 2.396 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC001246195688 1140871662 /nfs/dbraw/zinc/87/16/62/1140871662.db2.gz BHYREFAEGPVRAM-BBRMVZONSA-N 2 0 303.406 2.431 20 5 DEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711275 186105399 /nfs/dbraw/zinc/10/53/99/186105399.db2.gz KYDHJKQJIDQERI-LSDHHAIUSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000591578337 357737488 /nfs/dbraw/zinc/73/74/88/357737488.db2.gz RIFSCICYUJPBKR-QWHCGFSZSA-N 2 0 320.393 2.044 20 5 DEBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000602020900 360244155 /nfs/dbraw/zinc/24/41/55/360244155.db2.gz OUQMOTLSKKXVDG-KBUPBQIOSA-N 2 0 321.425 2.382 20 5 DEBDRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000531941015 284631350 /nfs/dbraw/zinc/63/13/50/284631350.db2.gz BSKSIDDQBVEGOY-OAHLLOKOSA-N 2 0 320.437 2.273 20 5 DEBDRP CC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268970521 207133233 /nfs/dbraw/zinc/13/32/33/207133233.db2.gz HZZURWPKXASKAE-OAHLLOKOSA-N 2 0 307.394 2.092 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357086292 147039037 /nfs/dbraw/zinc/03/90/37/147039037.db2.gz USWGCVKKNAXPIL-AWEZNQCLSA-N 2 0 319.405 2.425 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358520536 147149253 /nfs/dbraw/zinc/14/92/53/147149253.db2.gz VVCQNLFPYHDUQY-UHFFFAOYSA-N 2 0 305.378 2.049 20 5 DEBDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000128561368 401783136 /nfs/dbraw/zinc/78/31/36/401783136.db2.gz AFBYPBKQJZMUOR-HNNXBMFYSA-N 2 0 320.437 2.273 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781566 404733015 /nfs/dbraw/zinc/73/30/15/404733015.db2.gz NFFCWUQOIIGTSB-HNNXBMFYSA-N 2 0 319.405 2.091 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H](C)CCCC[NH3+] ZINC000415014800 404788213 /nfs/dbraw/zinc/78/82/13/404788213.db2.gz MWIGOXUZNTZEDG-QWHCGFSZSA-N 2 0 322.409 2.419 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415069825 404800548 /nfs/dbraw/zinc/80/05/48/404800548.db2.gz XPJMWFBNXQBHAF-AQFIFQLPSA-N 2 0 301.390 2.113 20 5 DEBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123881 404812784 /nfs/dbraw/zinc/81/27/84/404812784.db2.gz LRLGZOBHJDKGHZ-DOTOQJQBSA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321584 405318337 /nfs/dbraw/zinc/31/83/37/405318337.db2.gz CXTFXKZKVNQPPJ-HOTGVXAUSA-N 2 0 303.406 2.459 20 5 DEBDRP C[C@@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@@H]1[NH3+] ZINC000420367334 405333697 /nfs/dbraw/zinc/33/36/97/405333697.db2.gz JYAVBNVHEKGHNM-RISCZKNCSA-N 2 0 316.361 2.071 20 5 DEBDRP C[NH2+]CCN(C)c1cc(C)nc(-c2ccc([N+](=O)[O-])cc2)n1 ZINC000420224198 405296942 /nfs/dbraw/zinc/29/69/42/405296942.db2.gz FLWTYSQPHDOMIM-UHFFFAOYSA-N 2 0 301.350 2.016 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431017757 405561472 /nfs/dbraw/zinc/56/14/72/405561472.db2.gz RVPMSNALBLUEKQ-UHFFFAOYSA-N 2 0 305.378 2.049 20 5 DEBDRP CCC[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000423186159 405715816 /nfs/dbraw/zinc/71/58/16/405715816.db2.gz WNPXRZHDJCHOKI-QGZVFWFLSA-N 2 0 320.437 2.321 20 5 DEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@@H]2[NH2+]CCC2=CC[NH2+]CC2)n1 ZINC000423536126 405847852 /nfs/dbraw/zinc/84/78/52/405847852.db2.gz GQROBBJMVWAPST-GJZGRUSLSA-N 2 0 319.409 2.174 20 5 DEBDRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000150990879 196613267 /nfs/dbraw/zinc/61/32/67/196613267.db2.gz HCDXLDVHEMFIKH-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000415013058 228612299 /nfs/dbraw/zinc/61/22/99/228612299.db2.gz UOWZIMGXEKGQQM-JKSUJKDBSA-N 2 0 319.405 2.471 20 5 DEBDRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572506 277023572 /nfs/dbraw/zinc/02/35/72/277023572.db2.gz CHKFWIZNOLHTGA-GJZGRUSLSA-N 2 0 319.409 2.127 20 5 DEBDRP C[C@]1(C[NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344743 280157748 /nfs/dbraw/zinc/15/77/48/280157748.db2.gz ONCBBLVSPWZIHZ-YCPHGPKFSA-N 2 0 321.425 2.254 20 5 DEBDRP CCC[N@H+](C[C@H](O)c1cccc([N+](=O)[O-])c1)C1CC[NH2+]CC1 ZINC000923328889 637112251 /nfs/dbraw/zinc/11/22/51/637112251.db2.gz XYNWDCGIXRCBRC-INIZCTEOSA-N 2 0 307.394 2.092 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841037581 650410994 /nfs/dbraw/zinc/41/09/94/650410994.db2.gz VRSBGBSOVKEVCV-CQSZACIVSA-N 2 0 318.421 2.153 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1[N+](=O)[O-] ZINC000903757018 643455372 /nfs/dbraw/zinc/45/53/72/643455372.db2.gz AKKWBLCASXFQSM-JLJPHGGASA-N 2 0 319.405 2.322 20 5 DEBDRP O=[N+]([O-])CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905712084 644010321 /nfs/dbraw/zinc/01/03/21/644010321.db2.gz FATBBRUGHRLYRZ-IXDOHACOSA-N 2 0 303.406 2.153 20 5 DEBDRP [NH3+]CCCCCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000843342958 650953491 /nfs/dbraw/zinc/95/34/91/650953491.db2.gz VTYQNSIBQUFZPK-UONOGXRCSA-N 2 0 309.414 2.384 20 5 DEBDRP O=[N+]([O-])c1cnn(C2CC([NH2+][C@H]3CCCN4CCCC[C@H]34)C2)c1 ZINC000877619063 690168846 /nfs/dbraw/zinc/16/88/46/690168846.db2.gz MZDCCGCTMHEKLA-FPCDFSMTSA-N 2 0 319.409 2.101 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000886869642 692215948 /nfs/dbraw/zinc/21/59/48/692215948.db2.gz DYUVJMGKZVOOKO-KRWDZBQOSA-N 2 0 319.405 2.439 20 5 DEBDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@H](C[N+](=O)[O-])C1 ZINC001168990271 785007387 /nfs/dbraw/zinc/00/73/87/785007387.db2.gz ZMVDVXYTFAMTGG-HOCLYGCPSA-N 2 0 321.421 2.162 20 5 DEBDRP [NH2+]=C(N[C@@H]1CCc2ccc([N+](=O)[O-])cc2CC1)SCC[NH3+] ZINC001172902524 793522686 /nfs/dbraw/zinc/52/26/86/793522686.db2.gz ZFXDQNWUJQPSFJ-GFCCVEGCSA-N 2 0 308.407 2.058 20 5 DEBDRP [NH3+]CCCC[NH2+]CCCNc1ncc([N+](=O)[O-])c2ccccc21 ZINC001162290470 799051915 /nfs/dbraw/zinc/05/19/15/799051915.db2.gz VPINYJGVJKVVMG-UHFFFAOYSA-N 2 0 317.393 2.274 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@H]1CCC[NH2+]CC1 ZINC001578189823 1067011738 /nfs/dbraw/zinc/01/17/38/1067011738.db2.gz VIKHSDKMMYSQBR-ZDUSSCGKSA-N 2 0 307.394 2.473 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CC[C@@H]2CCC[NH2+]C2)n1 ZINC000423285705 285169120 /nfs/dbraw/zinc/16/91/20/285169120.db2.gz ZVCWZRYTROPKPJ-RRFJBIMHSA-N 2 0 321.425 2.254 20 5 DEBDRP C[NH2+]C[C@@H]1CCN(c2cc(C)[nH+]c3ccc([N+](=O)[O-])cc32)C1 ZINC000262116037 145263190 /nfs/dbraw/zinc/26/31/90/145263190.db2.gz KFDNPFFCKLXANG-LBPRGKRZSA-N 2 0 300.362 2.497 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415039835 404793720 /nfs/dbraw/zinc/79/37/20/404793720.db2.gz OHIKXNQOIONFBL-YRGRVCCFSA-N 2 0 320.393 2.029 20 5 DEBDRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccc([N+](=O)[O-])cc1)CC[NH2+]CC2 ZINC000424287655 405058185 /nfs/dbraw/zinc/05/81/85/405058185.db2.gz JKPCKHCNNRHMIA-CQSZACIVSA-N 2 0 319.405 2.438 20 5 DEBDRP O=[N+]([O-])c1ccc2oc(C[NH+]3CCC4(CC[NH2+]C4)CC3)nc2c1 ZINC000431038529 405566161 /nfs/dbraw/zinc/56/61/61/405566161.db2.gz DCPBIUONZWGFHL-UHFFFAOYSA-N 2 0 316.361 2.312 20 5 DEBDRP COc1cc([N+](=O)[O-])ccc1C[N@H+](C)CCCn1ccnc1 ZINC000430218578 269126833 /nfs/dbraw/zinc/12/68/33/269126833.db2.gz JHOAFGZUAQJTOZ-UHFFFAOYSA-N 2 0 304.350 2.322 20 5 DEBDRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000449755774 535674828 /nfs/dbraw/zinc/67/48/28/535674828.db2.gz UVVLHCWFDHZWEX-UHFFFAOYSA-N 2 0 320.437 2.101 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449711 637188574 /nfs/dbraw/zinc/18/85/74/637188574.db2.gz QEEGWVSXQKTSBC-KGLIPLIRSA-N 2 0 319.405 2.486 20 5 DEBDRP C[NH+](C)CCC1CC[NH+](C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579140 642187381 /nfs/dbraw/zinc/18/73/81/642187381.db2.gz KGKQFVXVJWPJKP-KRWDZBQOSA-N 2 0 321.421 2.292 20 5 DEBDRP [NH3+]CCCCCCC[NH+]1CCN(c2ccc([N+](=O)[O-])nc2)CC1 ZINC000842471538 650747184 /nfs/dbraw/zinc/74/71/84/650747184.db2.gz HUVYYVOHGFRBCF-UHFFFAOYSA-N 2 0 321.425 2.021 20 5 DEBDRP O=[N+]([O-])c1cccc2c1CC[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)C2 ZINC000903896983 643500427 /nfs/dbraw/zinc/50/04/27/643500427.db2.gz WTHMHTWMWAPETA-LQDVMPOASA-N 2 0 301.390 2.484 20 5 DEBDRP [NH3+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2CCOc1ccc([N+](=O)[O-])cc1 ZINC000843360931 650957040 /nfs/dbraw/zinc/95/70/40/650957040.db2.gz MIIQJDGXOGVJOS-LQDVMPOASA-N 2 0 305.378 2.318 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151408 647595023 /nfs/dbraw/zinc/59/50/23/647595023.db2.gz BLBRGCVXDYAPIH-RHSMWYFYSA-N 2 0 321.421 2.196 20 5 DEBDRP O=[N+]([O-])c1ccc([C@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000819267031 647621522 /nfs/dbraw/zinc/62/15/22/647621522.db2.gz IORFWAZKXIWNOO-QGZVFWFLSA-N 2 0 319.405 2.092 20 5 DEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc([N+](=O)[O-])c2C)CC1 ZINC000873012508 689140620 /nfs/dbraw/zinc/14/06/20/689140620.db2.gz SIHLILHFOJMCLU-AWEZNQCLSA-N 2 0 320.437 2.019 20 5 DEBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]CCCCC[NH+]3CCCC3)C2)c1 ZINC000877553093 690149703 /nfs/dbraw/zinc/14/97/03/690149703.db2.gz ZKGSEESZTZFKIF-UHFFFAOYSA-N 2 0 321.425 2.351 20 5 DEBDRP COCC[N@@H+](Cc1ccccc1[N+](=O)[O-])CC1CC[NH+](C)CC1 ZINC000877665594 690183432 /nfs/dbraw/zinc/18/34/32/690183432.db2.gz YWVPHPCCKIFJOP-UHFFFAOYSA-N 2 0 321.421 2.385 20 5 DEBDRP [NH2+]=C(NCCCC[NH3+])Nc1ccc(C(F)(F)F)c([N+](=O)[O-])c1 ZINC001167878358 778741217 /nfs/dbraw/zinc/74/12/17/778741217.db2.gz KJBRDVGRJAJEKX-UHFFFAOYSA-N 2 0 319.287 2.289 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298095 786894254 /nfs/dbraw/zinc/89/42/54/786894254.db2.gz ZXQRJYGXSYORAZ-OLZOCXBDSA-N 2 0 307.394 2.076 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2CC[NH2+]CC2)n1 ZINC000593322507 358054214 /nfs/dbraw/zinc/05/42/14/358054214.db2.gz NTZLPJHGZIOYHM-LSDHHAIUSA-N 2 0 321.425 2.254 20 5 DEBDRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539069232 285068531 /nfs/dbraw/zinc/06/85/31/285068531.db2.gz SLUMTNICRHSBHN-BBRMVZONSA-N 2 0 307.394 2.294 20 5 DEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@@H]21 ZINC000158656599 197291373 /nfs/dbraw/zinc/29/13/73/197291373.db2.gz NAJLAQSNVKWMPF-YOEHRIQHSA-N 2 0 319.405 2.390 20 5 DEBDRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccccc1[N+](=O)[O-] ZINC000371289394 148083836 /nfs/dbraw/zinc/08/38/36/148083836.db2.gz KSEPZJHQLHOCMP-DJIMGWMZSA-N 2 0 319.405 2.278 20 5 DEBDRP CC[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000193024024 402761020 /nfs/dbraw/zinc/76/10/20/402761020.db2.gz LFWZPDZXSNEVSN-QGZVFWFLSA-N 2 0 320.437 2.273 20 5 DEBDRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278680355 402869592 /nfs/dbraw/zinc/86/95/92/402869592.db2.gz JTWZIYLMHAOTEE-MRXNPFEDSA-N 2 0 319.405 2.019 20 5 DEBDRP C/C(=C/c1cccc([N+](=O)[O-])c1)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000344790527 404369325 /nfs/dbraw/zinc/36/93/25/404369325.db2.gz JIKVIHZQDYBXJV-UVTDQMKNSA-N 2 0 319.405 2.044 20 5 DEBDRP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779554 404732362 /nfs/dbraw/zinc/73/23/62/404732362.db2.gz KKNJHBDTIASNQY-GJZGRUSLSA-N 2 0 319.405 2.425 20 5 DEBDRP COc1cc(C[NH2+]CC2(C)CC[NH2+]CC2)c([N+](=O)[O-])cc1OC ZINC000414897634 404761169 /nfs/dbraw/zinc/76/11/69/404761169.db2.gz FDFBDSCAGOQWEW-UHFFFAOYSA-N 2 0 323.393 2.091 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415127760 404814243 /nfs/dbraw/zinc/81/42/43/404814243.db2.gz RESIMRPANFUESM-NVXWUHKLSA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423489787 533685916 /nfs/dbraw/zinc/68/59/16/533685916.db2.gz GUQPIVQNWQGJOP-MBNYWOFBSA-N 2 0 320.393 2.029 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423474430 279674188 /nfs/dbraw/zinc/67/41/88/279674188.db2.gz OUYMBTBLGDJGGQ-LJISPDSOSA-N 2 0 321.425 2.382 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423363461 295313757 /nfs/dbraw/zinc/31/37/57/295313757.db2.gz IZXVXGMWHUUDPU-ZOBORPQBSA-N 2 0 307.398 2.135 20 5 DEBDRP COc1c(O)ccc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1[N+](=O)[O-] ZINC000894860387 637269638 /nfs/dbraw/zinc/26/96/38/637269638.db2.gz BWRRRIIXYLAQGK-LBPRGKRZSA-N 2 0 323.393 2.131 20 5 DEBDRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000796756294 644787889 /nfs/dbraw/zinc/78/78/89/644787889.db2.gz UREVLRIFQGPEGT-ZBCRRDGASA-N 2 0 307.394 2.091 20 5 DEBDRP C[C@@H](C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968973 647552371 /nfs/dbraw/zinc/55/23/71/647552371.db2.gz HZHPRYXJELDLPD-YOEHRIQHSA-N 2 0 321.421 2.340 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151863 647595492 /nfs/dbraw/zinc/59/54/92/647595492.db2.gz GRDBASGZAFHGIJ-RHSMWYFYSA-N 2 0 321.421 2.196 20 5 DEBDRP CC(C)(C[NH2+]C[C@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCC1 ZINC000819260880 647620128 /nfs/dbraw/zinc/62/01/28/647620128.db2.gz WIVLBVOUGDZXGM-INIZCTEOSA-N 2 0 321.421 2.340 20 5 DEBDRP CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@@H](O)C[NH+]1CCCC1 ZINC000920095498 648204440 /nfs/dbraw/zinc/20/44/40/648204440.db2.gz PISPNNOMSMKTHP-KRWDZBQOSA-N 2 0 321.421 2.262 20 5 DEBDRP COCC[N@@H+](Cc1cccc([N+](=O)[O-])c1)CC1CC[NH+](C)CC1 ZINC000877665276 690183427 /nfs/dbraw/zinc/18/34/27/690183427.db2.gz OPXSPRZQEYRECP-UHFFFAOYSA-N 2 0 321.421 2.385 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000886838271 692207062 /nfs/dbraw/zinc/20/70/62/692207062.db2.gz URCUXYYNYNRZAV-KGLIPLIRSA-N 2 0 304.394 2.201 20 5 DEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001332366283 1149853746 /nfs/dbraw/zinc/85/37/46/1149853746.db2.gz XLJJUKSPSXHZDP-INIZCTEOSA-N 2 0 319.405 2.094 20 5 DEBDRP C[C@H](Cc1ccc([N+](=O)[O-])cc1)[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001173223532 793640349 /nfs/dbraw/zinc/64/03/49/793640349.db2.gz GJBHIZGQJRISKC-BMFZPTHFSA-N 2 0 303.406 2.409 20 5 DEBDRP [NH3+]CCc1cn(-c2cc(Cl)cc([N+](=O)[O-])n2)c2cc[nH+]cc12 ZINC001160946284 798768058 /nfs/dbraw/zinc/76/80/58/798768058.db2.gz ZGFANXMNNKDSBF-UHFFFAOYSA-N 2 0 317.736 2.483 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H](C)C2)c([N+](=O)[O-])c1 ZINC001246100281 1140860735 /nfs/dbraw/zinc/86/07/35/1140860735.db2.gz ODBZHFXDLNQVAQ-MELADBBJSA-N 2 0 321.421 2.370 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CC2 ZINC001246195691 1140871974 /nfs/dbraw/zinc/87/19/74/1140871974.db2.gz BHYREFAEGPVRAM-XJKSGUPXSA-N 2 0 303.406 2.431 20 5 DEBDRP [NH3+][C@@H]1CCC[N@@H+](C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC001246540563 1140945224 /nfs/dbraw/zinc/94/52/24/1140945224.db2.gz GYQSKTYIUJTTPF-CQSZACIVSA-N 2 0 318.421 2.377 20 5 DEBDRP CC(C)[N@H+](C)CCC[NH2+]CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC001262561770 1144319222 /nfs/dbraw/zinc/31/92/22/1144319222.db2.gz GWAPDCFJQWEDRO-UHFFFAOYSA-N 2 0 322.409 2.243 20 5 DEBDRP Cc1c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000155005771 197012406 /nfs/dbraw/zinc/01/24/06/197012406.db2.gz ZFVKZEUQHQJFDF-HIFRSBDPSA-N 2 0 320.437 2.190 20 5 DEBDRP Cc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1[N+](=O)[O-] ZINC000346693384 292099535 /nfs/dbraw/zinc/09/95/35/292099535.db2.gz MUAQQRRJXYVFMD-UHFFFAOYSA-N 2 0 307.394 2.233 20 5 DEBDRP C[NH2+]CCC1CC[NH+](CCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000261994571 145251282 /nfs/dbraw/zinc/25/12/82/145251282.db2.gz NIEDROLOKZWIOM-UHFFFAOYSA-N 2 0 307.394 2.295 20 5 DEBDRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC1 ZINC000173321648 402692376 /nfs/dbraw/zinc/69/23/76/402692376.db2.gz TXQHAYRZGDXSGL-GJZGRUSLSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@H](CCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415023504 404789309 /nfs/dbraw/zinc/78/93/09/404789309.db2.gz MYSBWVVEZMATBA-VXGBXAGGSA-N 2 0 308.382 2.029 20 5 DEBDRP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029596 404790967 /nfs/dbraw/zinc/79/09/67/404790967.db2.gz DZCQOYPEXREPRH-GXSJLCMTSA-N 2 0 315.320 2.413 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338413 405325067 /nfs/dbraw/zinc/32/50/67/405325067.db2.gz XYFFOPRECPGUEO-CABCVRRESA-N 2 0 319.405 2.295 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423289930 405749444 /nfs/dbraw/zinc/74/94/44/405749444.db2.gz YNBRAWWTJNDENA-LBPRGKRZSA-N 2 0 322.409 2.419 20 5 DEBDRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921184 230278901 /nfs/dbraw/zinc/27/89/01/230278901.db2.gz NOYRIYQTVIVOOH-XKQJLSEDSA-N 2 0 321.421 2.259 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415039833 533689012 /nfs/dbraw/zinc/68/90/12/533689012.db2.gz OHIKXNQOIONFBL-MBNYWOFBSA-N 2 0 320.393 2.029 20 5 DEBDRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362962 535577024 /nfs/dbraw/zinc/57/70/24/535577024.db2.gz DGVLDFKLIHKZBS-HOCLYGCPSA-N 2 0 323.441 2.282 20 5 DEBDRP C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000923389268 637156279 /nfs/dbraw/zinc/15/62/79/637156279.db2.gz USLVYSWEYORPLG-UHOFOFEASA-N 2 0 307.394 2.078 20 5 DEBDRP C[N@H+](CC1CC[NH+](C)CC1)Cn1ncc2cc([N+](=O)[O-])ccc21 ZINC000103462132 637884530 /nfs/dbraw/zinc/88/45/30/637884530.db2.gz MBNCHQCMADYDKQ-UHFFFAOYSA-N 2 0 317.393 2.176 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC[C@H](C)[NH+](C)C ZINC000895292290 637895975 /nfs/dbraw/zinc/89/59/75/637895975.db2.gz AXVXLDLNFHDVFB-OLZOCXBDSA-N 2 0 322.409 2.242 20 5 DEBDRP [NH3+]C1CC[NH+](CCc2cc(-c3ccccc3[N+](=O)[O-])no2)CC1 ZINC000901396618 642648280 /nfs/dbraw/zinc/64/82/80/642648280.db2.gz UVYAJVZQSWLVHX-UHFFFAOYSA-N 2 0 316.361 2.215 20 5 DEBDRP O=[N+]([O-])CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000905207809 643831539 /nfs/dbraw/zinc/83/15/39/643831539.db2.gz IUQCTCJNUVJLME-YESZJQIVSA-N 2 0 303.406 2.153 20 5 DEBDRP C[N@H+](CCC(=O)Nc1ccccc1[N+](=O)[O-])C1CCC([NH3+])CC1 ZINC000843355742 650956279 /nfs/dbraw/zinc/95/62/79/650956279.db2.gz WGZWWUMCUPHEFZ-UHFFFAOYSA-N 2 0 320.393 2.125 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133357 647590088 /nfs/dbraw/zinc/59/00/88/647590088.db2.gz OOQRZMUFKVDIBZ-NUEKZKHPSA-N 2 0 307.394 2.091 20 5 DEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000872228800 688958455 /nfs/dbraw/zinc/95/84/55/688958455.db2.gz KRUKOZDFYNRQDW-WIHSUSGWSA-N 2 0 321.421 2.481 20 5 DEBDRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873268480 689198811 /nfs/dbraw/zinc/19/88/11/689198811.db2.gz DUIDVUXAAAKCDU-BPLDGKMQSA-N 2 0 321.425 2.253 20 5 DEBDRP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1[N+](=O)[O-] ZINC000925783327 693340442 /nfs/dbraw/zinc/34/04/42/693340442.db2.gz FDZIUIZQRHTZLI-DYEKYZERSA-N 2 0 307.394 2.500 20 5 DEBDRP CCO[C@H](CN[C@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961639 693536453 /nfs/dbraw/zinc/53/64/53/693536453.db2.gz PQIUZOWEMDYFNC-DOMZBBRYSA-N 2 0 307.394 2.138 20 5 DEBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967615 784989785 /nfs/dbraw/zinc/98/97/85/784989785.db2.gz RHAAJHXFBDGYCG-HZPDHXFCSA-N 2 0 321.421 2.162 20 5 DEBDRP CC[N@H+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@@H]2C1 ZINC001173238396 793657005 /nfs/dbraw/zinc/65/70/05/793657005.db2.gz RFHYBMOTIPLDDW-BMFZPTHFSA-N 2 0 303.406 2.409 20 5 DEBDRP CN(C)/C=C\c1cc(N(C)CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165141358 799661787 /nfs/dbraw/zinc/66/17/87/799661787.db2.gz HNUBZSJJSICLKS-TWGQIWQCSA-N 2 0 319.409 2.054 20 5 DEBDRP C[N+](C)(C)CCCO[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC001224621668 802886869 /nfs/dbraw/zinc/88/68/69/802886869.db2.gz YPMMYOGGXNKJFR-GOSISDBHSA-N 2 0 307.458 2.000 20 5 DEBDRP CC[NH+]1CCC(C[NH2+]Cc2cc(OC)c(O)cc2[N+](=O)[O-])CC1 ZINC001620778246 1066649026 /nfs/dbraw/zinc/64/90/26/1066649026.db2.gz JDENNFSICLNLGA-UHFFFAOYSA-N 2 0 323.393 2.131 20 5 DEBDRP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580260 1143264258 /nfs/dbraw/zinc/26/42/58/1143264258.db2.gz BTHUYNZUXRQHPU-BBRMVZONSA-N 2 0 303.406 2.384 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@@H]2CC23CC[NH2+]CC3)n1 ZINC000591581772 357738867 /nfs/dbraw/zinc/73/88/67/357738867.db2.gz SGDZGUWWIMFKHE-BFHYXJOUSA-N 2 0 319.409 2.007 20 5 DEBDRP C[C@@H]1CCC[N@H+](CCOc2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000593730830 358132718 /nfs/dbraw/zinc/13/27/18/358132718.db2.gz HZWHYUBPRODLLZ-CZUORRHYSA-N 2 0 307.394 2.423 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000347089839 146192666 /nfs/dbraw/zinc/19/26/66/146192666.db2.gz DQMBVSBXDMVJFC-UHFFFAOYSA-N 2 0 307.394 2.425 20 5 DEBDRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000154420721 402212000 /nfs/dbraw/zinc/21/20/00/402212000.db2.gz HDDDWENCMYFAAN-HNNXBMFYSA-N 2 0 320.437 2.273 20 5 DEBDRP Cc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000185863013 402383856 /nfs/dbraw/zinc/38/38/56/402383856.db2.gz LKRGNWXLCSIYSK-OAHLLOKOSA-N 2 0 320.437 2.019 20 5 DEBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000245468723 402463833 /nfs/dbraw/zinc/46/38/33/402463833.db2.gz UDJNMMOPYQEWQA-PBHICJAKSA-N 2 0 321.421 2.482 20 5 DEBDRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc([N+](=O)[O-])c1 ZINC000282290730 403140640 /nfs/dbraw/zinc/14/06/40/403140640.db2.gz LQZQHAAEPMKZEU-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000269672278 403156024 /nfs/dbraw/zinc/15/60/24/403156024.db2.gz VCKPCFCLERYHEI-YOEHRIQHSA-N 2 0 321.421 2.292 20 5 DEBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415127761 404814039 /nfs/dbraw/zinc/81/40/39/404814039.db2.gz RESIMRPANFUESM-RDJZCZTQSA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+]C1CCC([NH3+])CC1 ZINC000437779576 405219441 /nfs/dbraw/zinc/21/94/41/405219441.db2.gz VNRZMSJIDOCGCV-PNESKVBLSA-N 2 0 320.393 2.171 20 5 DEBDRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccccc1[N+](=O)[O-] ZINC000430573940 405459675 /nfs/dbraw/zinc/45/96/75/405459675.db2.gz NGFTUCGTCWRBAM-ZDUSSCGKSA-N 2 0 322.409 2.229 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000423288851 405749392 /nfs/dbraw/zinc/74/93/92/405749392.db2.gz VKRQGYKFHUKPKO-CHWSQXEVSA-N 2 0 309.414 2.382 20 5 DEBDRP C[C@@H]1C[C@H](C)[N@H+](CCOc2ccc([N+](=O)[O-])cc2)C[C@@H]1C[NH3+] ZINC000422625819 230157872 /nfs/dbraw/zinc/15/78/72/230157872.db2.gz COWQMRIZSNAOPU-RDBSUJKOSA-N 2 0 307.394 2.279 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931485519 633770646 /nfs/dbraw/zinc/77/06/46/633770646.db2.gz LULWVXNFZUPIJV-ZDUSSCGKSA-N 2 0 307.394 2.044 20 5 DEBDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817986100 647400928 /nfs/dbraw/zinc/40/09/28/647400928.db2.gz IREHSMSLEXCQHH-DOERSZECSA-N 2 0 304.394 2.216 20 5 DEBDRP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819186273 647603787 /nfs/dbraw/zinc/60/37/87/647603787.db2.gz XRFGJXCEGWVQEJ-PUJMQQBBSA-N 2 0 321.421 2.338 20 5 DEBDRP O=[N+]([O-])c1cccc([C@@H](O)C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000819333846 647637369 /nfs/dbraw/zinc/63/73/69/647637369.db2.gz QUENBMDTASXMJS-KRWDZBQOSA-N 2 0 321.421 2.484 20 5 DEBDRP CC[NH+](CC)CC[C@H](CO)NCc1c(C)ccc([N+](=O)[O-])c1C ZINC000883160090 691444043 /nfs/dbraw/zinc/44/40/43/691444043.db2.gz FSCGTROLWONCIF-OAHLLOKOSA-N 2 0 323.437 2.394 20 5 DEBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057138 1152055008 /nfs/dbraw/zinc/05/50/08/1152055008.db2.gz NBKCRHZINYQWNC-ZNMIVQPWSA-N 2 0 321.425 2.028 20 5 DEBDRP C[NH+](C)Cc1ccc(CC[NH2+][C@@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168976580 784981189 /nfs/dbraw/zinc/98/11/89/784981189.db2.gz DQWJLTJCAVQCAK-DLBZAZTESA-N 2 0 305.422 2.326 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]CCCC[NH+](C)C)c([N+](=O)[O-])c1 ZINC001170300168 786894110 /nfs/dbraw/zinc/89/41/10/786894110.db2.gz YAAXAJXNXCLDAU-CYBMUJFWSA-N 2 0 309.410 2.466 20 5 DEBDRP C[NH+](C)CCCCNc1ccc([N+](=O)[O-])c(OCC[NH+](C)C)c1 ZINC001161730642 798924679 /nfs/dbraw/zinc/92/46/79/798924679.db2.gz NMJDUPXAJMZSIS-UHFFFAOYSA-N 2 0 324.425 2.289 20 5 DEBDRP [NH3+]CCCC[NH2+]CCCNc1ccc2c(cccc2[N+](=O)[O-])n1 ZINC001162290381 799051956 /nfs/dbraw/zinc/05/19/56/799051956.db2.gz RIEBVBVFIKSTAY-UHFFFAOYSA-N 2 0 317.393 2.274 20 5 DEBDRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000155711381 186105510 /nfs/dbraw/zinc/10/55/10/186105510.db2.gz KYDHJKQJIDQERI-HUUCEWRRSA-N 2 0 320.437 2.271 20 5 DEBDRP COc1cc(C[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])cc1OC ZINC000580957336 357108618 /nfs/dbraw/zinc/10/86/18/357108618.db2.gz KWMCJWKKGDNNRF-UHFFFAOYSA-N 2 0 323.393 2.173 20 5 DEBDRP C[C@@H]1CCC[N@H+](CCOc2ccccc2[N+](=O)[O-])[C@H]1CC[NH3+] ZINC000593730823 358132526 /nfs/dbraw/zinc/13/25/26/358132526.db2.gz HQRRIIQLWVIPPB-KGLIPLIRSA-N 2 0 307.394 2.423 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357086294 147039135 /nfs/dbraw/zinc/03/91/35/147039135.db2.gz USWGCVKKNAXPIL-CQSZACIVSA-N 2 0 319.405 2.425 20 5 DEBDRP O=[N+]([O-])c1ccc2oc(C[N@@H+]3CCC4(C3)CC[NH2+]CC4)nc2c1 ZINC000358505613 147146373 /nfs/dbraw/zinc/14/63/73/147146373.db2.gz KOYMFKLRNSZFNK-UHFFFAOYSA-N 2 0 316.361 2.312 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000151829065 402059132 /nfs/dbraw/zinc/05/91/32/402059132.db2.gz FRLOABAKJZWAFX-AWEZNQCLSA-N 2 0 321.421 2.258 20 5 DEBDRP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1[N+](=O)[O-] ZINC000320605237 404067221 /nfs/dbraw/zinc/06/72/21/404067221.db2.gz AUFRPFNSTKOLRV-OKILXGFUSA-N 2 0 305.378 2.035 20 5 DEBDRP COc1cc(C[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000752 404785616 /nfs/dbraw/zinc/78/56/16/404785616.db2.gz UCJOPVXEZUWNKR-DGCLKSJQSA-N 2 0 323.393 2.219 20 5 DEBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000415123604 404813278 /nfs/dbraw/zinc/81/32/78/404813278.db2.gz LLVNXGLTOBGGFM-DOTOQJQBSA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420333775 405323250 /nfs/dbraw/zinc/32/32/50/405323250.db2.gz FRPOFVCBKIPNQV-HNNXBMFYSA-N 2 0 319.405 2.438 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423367582 405780636 /nfs/dbraw/zinc/78/06/36/405780636.db2.gz CUQPNHYRIKGQSQ-DYEKYZERSA-N 2 0 320.393 2.171 20 5 DEBDRP COCC1(C[NH2+][C@@H](C)Cc2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000423396901 405789213 /nfs/dbraw/zinc/78/92/13/405789213.db2.gz BSRQWBRDANBCCQ-AWEZNQCLSA-N 2 0 321.421 2.132 20 5 DEBDRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000422624986 230156945 /nfs/dbraw/zinc/15/69/45/230156945.db2.gz AGUISUWXPPPBLA-MCIONIFRSA-N 2 0 307.394 2.279 20 5 DEBDRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc([N+](=O)[O-])cc1F)CC2 ZINC000923448453 637183111 /nfs/dbraw/zinc/18/31/11/637183111.db2.gz CHAILJCZVGTAMO-AWEZNQCLSA-N 2 0 323.368 2.064 20 5 DEBDRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c(F)cccc1[N+](=O)[O-])CC2 ZINC000923452476 637189274 /nfs/dbraw/zinc/18/92/74/637189274.db2.gz HFUGHBRKMURPCT-GFCCVEGCSA-N 2 0 323.368 2.064 20 5 DEBDRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817986102 647400589 /nfs/dbraw/zinc/40/05/89/647400589.db2.gz IREHSMSLEXCQHH-SCUASFONSA-N 2 0 304.394 2.216 20 5 DEBDRP O=[N+]([O-])c1ccc([C@@H](O)C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1 ZINC000819267030 647621714 /nfs/dbraw/zinc/62/17/14/647621714.db2.gz IORFWAZKXIWNOO-KRWDZBQOSA-N 2 0 319.405 2.092 20 5 DEBDRP CC(C)N(Cc1ccc([N+](=O)[O-])cc1)C[C@H](O)C[NH+]1CCCC1 ZINC000920095499 648204332 /nfs/dbraw/zinc/20/43/32/648204332.db2.gz PISPNNOMSMKTHP-QGZVFWFLSA-N 2 0 321.421 2.262 20 5 DEBDRP CC1(C)[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925598695 693306317 /nfs/dbraw/zinc/30/63/17/693306317.db2.gz SSRLKQOMKMYAFN-PMPSAXMXSA-N 2 0 319.405 2.340 20 5 DEBDRP [NH3+]C1(c2ccccc2)CC[NH+]([C@@H]2CC[C@@H](C[N+](=O)[O-])C2)CC1 ZINC001168997505 784996216 /nfs/dbraw/zinc/99/62/16/784996216.db2.gz CUDHDXLRDFBSCR-GDBMZVCRSA-N 2 0 303.406 2.382 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298097 786894148 /nfs/dbraw/zinc/89/41/48/786894148.db2.gz ZXQRJYGXSYORAZ-STQMWFEESA-N 2 0 307.394 2.076 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)n2ccnc2CC[NH3+])c1F ZINC001173179218 793620682 /nfs/dbraw/zinc/62/06/82/793620682.db2.gz OHTNDCMRCVVNSY-JTQLQIEISA-N 2 0 322.340 2.244 20 5 DEBDRP COCCC1([NH3+])CC[NH+]([C@H](C)Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC001173218121 793636100 /nfs/dbraw/zinc/63/61/00/793636100.db2.gz BFSVLLVUBUBJMZ-CQSZACIVSA-N 2 0 321.421 2.356 20 5 DEBDRP C[C@@H]1C[NH2+]CCC[C@@H]1CNc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001162467611 799094916 /nfs/dbraw/zinc/09/49/16/799094916.db2.gz REXXFYSCEJXIDV-VXGBXAGGSA-N 2 0 304.394 2.246 20 5 DEBDRP C[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1c2ccccc2cc2ccccc21 ZINC001220054428 802406555 /nfs/dbraw/zinc/40/65/55/802406555.db2.gz BOHZFNFOLHQOKW-IBGZPJMESA-N 2 0 321.424 2.198 20 5 DEBDRP Cc1cc(Cl)c([N+](=O)[O-])c(NCCC[NH2+]CCCC[NH3+])n1 ZINC001162290287 1086311768 /nfs/dbraw/zinc/31/17/68/1086311768.db2.gz MPSCBMMFINEMJO-UHFFFAOYSA-N 2 0 315.805 2.082 20 5 DEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[N@@H+]1C[C@H]2CC[NH+](C)C[C@H]2C1 ZINC001254559972 1143248958 /nfs/dbraw/zinc/24/89/58/1143248958.db2.gz DFXGWQYXEMTBJU-IMJJTQAJSA-N 2 0 303.406 2.409 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)C[C@@H]([NH2+]CC13CC[NH+](CC1)CC3)C2 ZINC001254579029 1143261366 /nfs/dbraw/zinc/26/13/66/1143261366.db2.gz OXRBBNJYSNHMCG-HNNXBMFYSA-N 2 0 301.390 2.138 20 5 DEBDRP CC[NH+]1CCC(C[NH2+][C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584978 1143267611 /nfs/dbraw/zinc/26/76/11/1143267611.db2.gz UTGXVINXNCEVGV-INIZCTEOSA-N 2 0 303.406 2.384 20 5 DEBDRP CC(C)c1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000077450454 355205883 /nfs/dbraw/zinc/20/58/83/355205883.db2.gz VTUFBOAOEXCDPK-UHFFFAOYSA-N 2 0 321.421 2.265 20 5 DEBDRP C[C@@H](C[NH2+][C@H]1CCc2c1cccc2[N+](=O)[O-])CN1CCOCC1 ZINC000581379985 357177931 /nfs/dbraw/zinc/17/79/31/357177931.db2.gz DEUGYACGANAHCX-BBRMVZONSA-N 2 0 319.405 2.140 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314263 358052691 /nfs/dbraw/zinc/05/26/91/358052691.db2.gz BLWYLHQEZTZTAC-INMHGKMJSA-N 2 0 319.405 2.313 20 5 DEBDRP Cc1c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000268974724 207138104 /nfs/dbraw/zinc/13/81/04/207138104.db2.gz IYWOPSQCNNGKCC-ZDUSSCGKSA-N 2 0 307.394 2.011 20 5 DEBDRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127677231 401745221 /nfs/dbraw/zinc/74/52/21/401745221.db2.gz KFKSHDKZZXCRNQ-WMLDXEAASA-N 2 0 320.437 2.271 20 5 DEBDRP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1[N+](=O)[O-] ZINC000414779556 404732403 /nfs/dbraw/zinc/73/24/03/404732403.db2.gz KKNJHBDTIASNQY-HUUCEWRRSA-N 2 0 319.405 2.425 20 5 DEBDRP C[C@H](CCC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000415026557 404790266 /nfs/dbraw/zinc/79/02/66/404790266.db2.gz UOVDDWQSIGAXJG-SECBINFHSA-N 2 0 303.309 2.413 20 5 DEBDRP C[NH+](C)CCOC1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000353515800 404854731 /nfs/dbraw/zinc/85/47/31/404854731.db2.gz FQILNRVKGFBDJS-UHFFFAOYSA-N 2 0 307.394 2.137 20 5 DEBDRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499462 292345033 /nfs/dbraw/zinc/34/50/33/292345033.db2.gz CQJRRWILHIUULL-UONOGXRCSA-N 2 0 309.414 2.253 20 5 DEBDRP [NH3+]C[C@@H]1CC[N@H+](CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C1 ZINC000430959870 405548399 /nfs/dbraw/zinc/54/83/99/405548399.db2.gz FGELNNVXHFHFLF-LBPRGKRZSA-N 2 0 316.361 2.073 20 5 DEBDRP CCC[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH2+]CC1 ZINC000431100546 405577270 /nfs/dbraw/zinc/57/72/70/405577270.db2.gz VNRAKUFLHAYOAB-UHFFFAOYSA-N 2 0 307.394 2.438 20 5 DEBDRP COCC1(C[NH2+][C@@H](C)c2cccc([N+](=O)[O-])c2)CC[NH2+]CC1 ZINC000423380958 405784137 /nfs/dbraw/zinc/78/41/37/405784137.db2.gz FDDMFUZSXMDQSX-ZDUSSCGKSA-N 2 0 307.394 2.262 20 5 DEBDRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000348362961 535580741 /nfs/dbraw/zinc/58/07/41/535580741.db2.gz DGVLDFKLIHKZBS-GOEBONIOSA-N 2 0 323.441 2.282 20 5 DEBDRP C[C@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455011 637185661 /nfs/dbraw/zinc/18/56/61/637185661.db2.gz RUTBZHCPDGNULH-CJNGLKHVSA-N 2 0 319.405 2.486 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@@H]3CCCC[NH2+]C3)CC2)cc1 ZINC000841091489 650428589 /nfs/dbraw/zinc/42/85/89/650428589.db2.gz YYUYFCTYLJYIBZ-OAHLLOKOSA-N 2 0 318.421 2.295 20 5 DEBDRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429045 643034927 /nfs/dbraw/zinc/03/49/27/643034927.db2.gz JMSFSNQUUFCSOQ-QHSBEEBCSA-N 2 0 307.394 2.040 20 5 DEBDRP O=[N+]([O-])CC[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905712083 644010934 /nfs/dbraw/zinc/01/09/34/644010934.db2.gz FATBBRUGHRLYRZ-IKGGRYGDSA-N 2 0 303.406 2.153 20 5 DEBDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817986099 647400573 /nfs/dbraw/zinc/40/05/73/647400573.db2.gz IREHSMSLEXCQHH-AHLTXXRQSA-N 2 0 304.394 2.216 20 5 DEBDRP CN(C)/C=C/c1cc(N(C)CC[NH+]2CCCC2)ncc1[N+](=O)[O-] ZINC001165141357 799661777 /nfs/dbraw/zinc/66/17/77/799661777.db2.gz HNUBZSJJSICLKS-RMKNXTFCSA-N 2 0 319.409 2.054 20 5 DEBDRP Cc1c(C[NH2+]CCCCCN2CC[NH2+]CC2)cccc1[N+](=O)[O-] ZINC001579534370 1067364014 /nfs/dbraw/zinc/36/40/14/1067364014.db2.gz HGZXJBVWSRDVRM-UHFFFAOYSA-N 2 0 320.437 2.068 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2C)c([N+](=O)[O-])c1 ZINC001246121906 1140863344 /nfs/dbraw/zinc/86/33/44/1140863344.db2.gz VHLPYHJJPCHWET-YDHLFZDLSA-N 2 0 321.421 2.370 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+][C@H]2CCCC[C@H]2[NH3+])c([N+](=O)[O-])c1 ZINC001246475293 1140914985 /nfs/dbraw/zinc/91/49/85/1140914985.db2.gz CWJJGVCRDIWNCQ-GLQYFDAESA-N 2 0 307.394 2.394 20 5 DEBDRP CC[NH+]1CCC(C[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254584979 1143268528 /nfs/dbraw/zinc/26/85/28/1143268528.db2.gz UTGXVINXNCEVGV-MRXNPFEDSA-N 2 0 303.406 2.384 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592469634 357882547 /nfs/dbraw/zinc/88/25/47/357882547.db2.gz XKZBNISXYMIOAJ-YRGRVCCFSA-N 2 0 305.378 2.081 20 5 DEBDRP COc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000357043414 147029508 /nfs/dbraw/zinc/02/95/08/147029508.db2.gz GBDYRDXKDVKJOI-OAHLLOKOSA-N 2 0 319.405 2.425 20 5 DEBDRP C[NH+](C)CC1CC[NH+](CCOc2cccc([N+](=O)[O-])c2)CC1 ZINC000341187481 403815283 /nfs/dbraw/zinc/81/52/83/403815283.db2.gz NHZFRYRMNCYPHV-UHFFFAOYSA-N 2 0 307.394 2.247 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000342106094 404370727 /nfs/dbraw/zinc/37/07/27/404370727.db2.gz OSBJGJJOULENJA-APHBMKBZSA-N 2 0 305.378 2.033 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415046592 404794988 /nfs/dbraw/zinc/79/49/88/404794988.db2.gz XPJMWFBNXQBHAF-FUAJKEFHSA-N 2 0 301.390 2.113 20 5 DEBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123887 404813266 /nfs/dbraw/zinc/81/32/66/404813266.db2.gz LRLGZOBHJDKGHZ-RDJZCZTQSA-N 2 0 319.405 2.313 20 5 DEBDRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000568499461 292344912 /nfs/dbraw/zinc/34/49/12/292344912.db2.gz CQJRRWILHIUULL-KGLIPLIRSA-N 2 0 309.414 2.253 20 5 DEBDRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000447572507 405418303 /nfs/dbraw/zinc/41/83/03/405418303.db2.gz CHKFWIZNOLHTGA-HUUCEWRRSA-N 2 0 319.409 2.127 20 5 DEBDRP COCC1(C[NH2+][C@@H](C)c2ccc([N+](=O)[O-])cc2)CC[NH2+]CC1 ZINC000423395588 405788150 /nfs/dbraw/zinc/78/81/50/405788150.db2.gz RBEJFWICSBCITI-ZDUSSCGKSA-N 2 0 307.394 2.262 20 5 DEBDRP Cc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1[N+](=O)[O-] ZINC000923447981 637183340 /nfs/dbraw/zinc/18/33/40/637183340.db2.gz YYYUHTMVJFLTFD-HNNXBMFYSA-N 2 0 319.405 2.233 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455016 637186756 /nfs/dbraw/zinc/18/67/56/637186756.db2.gz RUTBZHCPDGNULH-XJKSGUPXSA-N 2 0 319.405 2.486 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000841032965 650409460 /nfs/dbraw/zinc/40/94/60/650409460.db2.gz KSFZEARKCGCDDS-AWEZNQCLSA-N 2 0 318.421 2.153 20 5 DEBDRP CC(C)[C@H]([NH3+])C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841029413 640848472 /nfs/dbraw/zinc/84/84/72/640848472.db2.gz GUCOVSLDEFUECT-MRXNPFEDSA-N 2 0 306.410 2.137 20 5 DEBDRP C[C@@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000819102604 647583407 /nfs/dbraw/zinc/58/34/07/647583407.db2.gz MYCLLWYECHXDPL-IUODEOHRSA-N 2 0 309.410 2.194 20 5 DEBDRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)Cn1nccc1[N+](=O)[O-] ZINC000872744708 689081738 /nfs/dbraw/zinc/08/17/38/689081738.db2.gz XKRIDRSDNWFZFE-UHFFFAOYSA-N 2 0 309.414 2.049 20 5 DEBDRP O=[N+]([O-])c1cnn(C2CC([NH2+][C@@H]3CCCN4CCCC[C@@H]34)C2)c1 ZINC000877619064 690168900 /nfs/dbraw/zinc/16/89/00/690168900.db2.gz MZDCCGCTMHEKLA-GMEATFMZSA-N 2 0 319.409 2.101 20 5 DEBDRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)c3cccc([N+](=O)[O-])c3)C2)CC1 ZINC000878867624 690517150 /nfs/dbraw/zinc/51/71/50/690517150.db2.gz VGWXMBUTIWDKEW-MRXNPFEDSA-N 2 0 319.405 2.046 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](Cc1ccccc1[N+](=O)[O-])C1CC1 ZINC000925783285 693340369 /nfs/dbraw/zinc/34/03/69/693340369.db2.gz FBPCOHVSQHPNKC-UHOFOFEASA-N 2 0 303.406 2.361 20 5 DEBDRP Cc1cc([N+](=O)[O-])c(OC(C)C)cc1NC(=[NH2+])NCCCC[NH3+] ZINC001167883140 778746721 /nfs/dbraw/zinc/74/67/21/778746721.db2.gz ABUDRWLQKPQYIB-UHFFFAOYSA-N 2 0 323.397 2.366 20 5 DEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc([N+](=O)[O-])c(-c2ccc(F)cc2)n1 ZINC001159790008 798608581 /nfs/dbraw/zinc/60/85/81/798608581.db2.gz ZOVBEEYMEUCNJL-ZDUSSCGKSA-N 2 0 319.340 2.232 20 5 DEBDRP CC[C@@H]([NH2+]C[C@@]1(O)CCC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC001578225473 1067025629 /nfs/dbraw/zinc/02/56/29/1067025629.db2.gz AWRRZSLOKFRWGI-HZPDHXFCSA-N 2 0 307.394 2.140 20 5 DEBDRP [NH3+][C@@]12CC[C@@]([NH2+][C@H]3Cc4ccc([N+](=O)[O-])cc4C3)(C1)CCC2 ZINC001246330551 1140884853 /nfs/dbraw/zinc/88/48/53/1140884853.db2.gz BPQXSVRHAHKGCO-BHYGNILZSA-N 2 0 301.390 2.456 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CC[NH2+]C[C@@H]1F)CC2 ZINC001246477877 1140915986 /nfs/dbraw/zinc/91/59/86/1140915986.db2.gz RAUODKNYXVUDIN-UXLLHSPISA-N 2 0 321.396 2.379 20 5 DEBDRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1Cc2ccc([N+](=O)[O-])cc2C1 ZINC001254601433 1143275008 /nfs/dbraw/zinc/27/50/08/1143275008.db2.gz ZXTJEYDVQFDERC-QGZVFWFLSA-N 2 0 303.406 2.336 20 5 DEBDRP C[N@@H+]1CC[C@@]2(CC[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)C1 ZINC001254608212 1143279937 /nfs/dbraw/zinc/27/99/37/1143279937.db2.gz PRGIIGPJQJXRQN-DLBZAZTESA-N 2 0 301.390 2.090 20 5 DEBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000592475746 357883234 /nfs/dbraw/zinc/88/32/34/357883234.db2.gz HLDWYNBXLQLZIL-CYBMUJFWSA-N 2 0 305.378 2.048 20 5 DEBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000602020899 360243832 /nfs/dbraw/zinc/24/38/32/360243832.db2.gz OUQMOTLSKKXVDG-AJNGGQMLSA-N 2 0 321.425 2.382 20 5 DEBDRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc([N+](=O)[O-])cc3)CC[C@@H]21 ZINC000158776914 197301092 /nfs/dbraw/zinc/30/10/92/197301092.db2.gz BIJDQZAUICEYQO-YOEHRIQHSA-N 2 0 319.405 2.390 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+]CCC2=CC[NH2+]CC2)n1 ZINC000423536128 296518600 /nfs/dbraw/zinc/51/86/00/296518600.db2.gz GQROBBJMVWAPST-LSDHHAIUSA-N 2 0 319.409 2.174 20 5 DEBDRP COc1ccc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1[N+](=O)[O-] ZINC000261971004 145248633 /nfs/dbraw/zinc/24/86/33/145248633.db2.gz IFQQWFKRJWQJSG-UHFFFAOYSA-N 2 0 305.378 2.179 20 5 DEBDRP C[C@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266891566 402997323 /nfs/dbraw/zinc/99/73/23/402997323.db2.gz DAKHVQZXHYZEJE-OAHLLOKOSA-N 2 0 320.437 2.225 20 5 DEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@H]21 ZINC000342106095 404370184 /nfs/dbraw/zinc/37/01/84/404370184.db2.gz OSBJGJJOULENJA-DAXOMENPSA-N 2 0 305.378 2.033 20 5 DEBDRP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000415027080 404790135 /nfs/dbraw/zinc/79/01/35/404790135.db2.gz VXQNZEJOVHFVDH-LBPRGKRZSA-N 2 0 317.393 2.212 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415039831 404793433 /nfs/dbraw/zinc/79/34/33/404793433.db2.gz OHIKXNQOIONFBL-DYEKYZERSA-N 2 0 320.393 2.029 20 5 DEBDRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3[N+](=O)[O-])CC2)C1 ZINC000415127759 404813722 /nfs/dbraw/zinc/81/37/22/404813722.db2.gz RESIMRPANFUESM-DOTOQJQBSA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCN1C ZINC000447543006 405417320 /nfs/dbraw/zinc/41/73/20/405417320.db2.gz KOAANDXTSIUVAW-APIJFGDWSA-N 2 0 321.425 2.347 20 5 DEBDRP CC[C@H](CSc1ccccc1[N+](=O)[O-])[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423447152 405809360 /nfs/dbraw/zinc/80/93/60/405809360.db2.gz ZMZGDGMLCJWPDV-FJJYHAOUSA-N 2 0 307.419 2.273 20 5 DEBDRP CC[N@H+](C[C@@H](O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]CC1 ZINC000923336423 637122408 /nfs/dbraw/zinc/12/24/08/637122408.db2.gz SDYXGGVSYDDSIJ-GDBMZVCRSA-N 2 0 307.394 2.092 20 5 DEBDRP C[C@@H]1CC2(C[N@@H+]1C[C@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383017 637149169 /nfs/dbraw/zinc/14/91/69/637149169.db2.gz GMXDFHRBJXDOCH-CJNGLKHVSA-N 2 0 319.405 2.092 20 5 DEBDRP [NH3+]CC[C@H]1CC[N@H+](Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000904405626 643660204 /nfs/dbraw/zinc/66/02/04/643660204.db2.gz LMLPBWXIPRFKQI-JTQLQIEISA-N 2 0 315.320 2.367 20 5 DEBDRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819375824 647646498 /nfs/dbraw/zinc/64/64/98/647646498.db2.gz SZLXMXOSVQGRBU-ZBCRRDGASA-N 2 0 307.394 2.091 20 5 DEBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@H]([NH+](C)C)C[C@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057135 1152054996 /nfs/dbraw/zinc/05/49/96/1152054996.db2.gz NBKCRHZINYQWNC-KKUMJFAQSA-N 2 0 321.425 2.028 20 5 DEBDRP CC(C)C[N@H+](C)CCCNC[C@@H](O)c1cccc([N+](=O)[O-])c1 ZINC001356620041 1152095919 /nfs/dbraw/zinc/09/59/19/1152095919.db2.gz AAQFSIMQKPUQKL-MRXNPFEDSA-N 2 0 309.410 2.196 20 5 DEBDRP O=[N+]([O-])C[C@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001168988377 785005668 /nfs/dbraw/zinc/00/56/68/785005668.db2.gz RLQZNBUXOPSJOQ-ZFWWWQNUSA-N 2 0 304.394 2.085 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298094 786894297 /nfs/dbraw/zinc/89/42/97/786894297.db2.gz ZXQRJYGXSYORAZ-CHWSQXEVSA-N 2 0 307.394 2.076 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]CCC[NH+](C)C)c1F ZINC001173174830 793617442 /nfs/dbraw/zinc/61/74/42/793617442.db2.gz DCIOHMNOILJHSE-NSHDSACASA-N 2 0 313.373 2.215 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[NH2+]C[C@@H]1CCC[NH2+]CC1 ZINC001578189822 1067012017 /nfs/dbraw/zinc/01/20/17/1067012017.db2.gz VIKHSDKMMYSQBR-CYBMUJFWSA-N 2 0 307.394 2.473 20 5 DEBDRP [NH3+]Cc1cccc(CN2CC(Oc3ccc([N+](=O)[O-])cc3)C2)c1 ZINC001580342670 1075906652 /nfs/dbraw/zinc/90/66/52/1075906652.db2.gz BBLNJOOBGLUZPS-UHFFFAOYSA-N 2 0 313.357 2.317 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH2+]CC2([NH3+])CCCC2)c([N+](=O)[O-])c1 ZINC001246075672 1140857911 /nfs/dbraw/zinc/85/79/11/1140857911.db2.gz MJFDILOFGNFCAB-GFCCVEGCSA-N 2 0 307.394 2.396 20 5 DEBDRP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)C1 ZINC001254580265 1143265006 /nfs/dbraw/zinc/26/50/06/1143265006.db2.gz BTHUYNZUXRQHPU-CZUORRHYSA-N 2 0 303.406 2.384 20 5 DEBDRP CCC[N@H+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@@H]2C1 ZINC001254610517 1143281478 /nfs/dbraw/zinc/28/14/78/1143281478.db2.gz KLFCFTGZIHRVPP-JZXOWHBKSA-N 2 0 315.417 2.336 20 5 DEBDRP CCOc1cc(CN2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)ccc1[N+](=O)[O-] ZINC001307989846 1147441171 /nfs/dbraw/zinc/44/11/71/1147441171.db2.gz VKUFKXRSBUDTRM-CABCVRRESA-N 2 0 319.405 2.377 20 5 DEBDRP CCC[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000268987497 207145188 /nfs/dbraw/zinc/14/51/88/207145188.db2.gz LTIVYVCCDNMOIN-MRXNPFEDSA-N 2 0 321.421 2.482 20 5 DEBDRP Cc1cc(NCC[NH+]2CCCC2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000336861163 403934558 /nfs/dbraw/zinc/93/45/58/403934558.db2.gz XYQNOEQCWUVGOO-UHFFFAOYSA-N 2 0 300.362 2.381 20 5 DEBDRP C[C@@H]1C[C@H](C[NH+]2CCN(c3cccc([N+](=O)[O-])c3)CC2)CC[NH2+]1 ZINC000414696505 404710566 /nfs/dbraw/zinc/71/05/66/404710566.db2.gz GCPQYBDLXJJKKY-HUUCEWRRSA-N 2 0 318.421 2.105 20 5 DEBDRP Cc1c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cccc1[N+](=O)[O-] ZINC000420324172 405319558 /nfs/dbraw/zinc/31/95/58/405319558.db2.gz GVWLALQEYRYBDA-OAHLLOKOSA-N 2 0 319.405 2.091 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425945432 405331994 /nfs/dbraw/zinc/33/19/94/405331994.db2.gz QUPABLWFMCITMQ-QWHCGFSZSA-N 2 0 322.409 2.099 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423367581 405779979 /nfs/dbraw/zinc/77/99/79/405779979.db2.gz CUQPNHYRIKGQSQ-BZPMIXESSA-N 2 0 320.393 2.171 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000567910892 406159500 /nfs/dbraw/zinc/15/95/00/406159500.db2.gz JFANWQPGOWIHRN-CHWSQXEVSA-N 2 0 320.393 2.043 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000127498900 525926356 /nfs/dbraw/zinc/92/63/56/525926356.db2.gz FSJWYXGRCPKNFP-GJZGRUSLSA-N 2 0 320.437 2.190 20 5 DEBDRP CC[NH+]1CCC(C[NH2+]Cc2ccc(O)c(OC)c2[N+](=O)[O-])CC1 ZINC000892939022 625741274 /nfs/dbraw/zinc/74/12/74/625741274.db2.gz LGKMUKABDFLMFS-UHFFFAOYSA-N 2 0 323.393 2.131 20 5 DEBDRP COc1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cc1[N+](=O)[O-] ZINC000841032071 650409663 /nfs/dbraw/zinc/40/96/63/650409663.db2.gz JDTHLVUNBBFXMF-UHFFFAOYSA-N 2 0 315.373 2.394 20 5 DEBDRP CC[NH2+]CCC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000817943047 647389069 /nfs/dbraw/zinc/38/90/69/647389069.db2.gz IHJMCPSQVLNGSA-UHFFFAOYSA-N 2 0 306.410 2.153 20 5 DEBDRP C[C@H](CC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)[NH+]1CCCCC1 ZINC000819227172 647612486 /nfs/dbraw/zinc/61/24/86/647612486.db2.gz BGJLQEZTJXUSAG-RHSMWYFYSA-N 2 0 321.421 2.482 20 5 DEBDRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C1CC1 ZINC000819363307 647644151 /nfs/dbraw/zinc/64/41/51/647644151.db2.gz VKVYKSIINSRGSS-MRXNPFEDSA-N 2 0 307.394 2.092 20 5 DEBDRP C[NH+](C)Cc1ccc(CC[NH2+][C@@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168976582 784981002 /nfs/dbraw/zinc/98/10/02/784981002.db2.gz DQWJLTJCAVQCAK-IAGOWNOFSA-N 2 0 305.422 2.326 20 5 DEBDRP C[NH+](C)Cc1ccc(CC[NH2+][C@H]2CC[C@H](C[N+](=O)[O-])C2)cc1 ZINC001168976584 784981303 /nfs/dbraw/zinc/98/13/03/784981303.db2.gz DQWJLTJCAVQCAK-IRXDYDNUSA-N 2 0 305.422 2.326 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170296607 786892620 /nfs/dbraw/zinc/89/26/20/786892620.db2.gz GIWSQFCOJRLZHX-UONOGXRCSA-N 2 0 321.421 2.466 20 5 DEBDRP CC[N+](C)(C)Cc1ccccc1NCC[C@H]1CCOC12C[NH2+]C2 ZINC001163088663 799242155 /nfs/dbraw/zinc/24/21/55/799242155.db2.gz FWXFTSVFNFYTHT-KRWDZBQOSA-N 2 0 318.485 2.463 20 5 DEBDRP CC[N+](C)(C)Cc1ccccc1NC[C@@H]1OC[C@H]2C[NH2+]CC[C@H]21 ZINC001163172481 799269148 /nfs/dbraw/zinc/26/91/48/799269148.db2.gz SMADQBYZPRMEPS-LMMKCTJWSA-N 2 0 318.485 2.319 20 5 DEBDRP COc1ccc(C[NH2+]Cc2ccccc2C[NH3+])cc1[N+](=O)[O-] ZINC001579217816 1067262485 /nfs/dbraw/zinc/26/24/85/1067262485.db2.gz AAOWBXSGPMZBOY-UHFFFAOYSA-N 2 0 301.346 2.352 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])c1 ZINC001246198291 1140872026 /nfs/dbraw/zinc/87/20/26/1140872026.db2.gz ORCXGUHUKCQHPW-STQMWFEESA-N 2 0 307.394 2.124 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000592471180 357882603 /nfs/dbraw/zinc/88/26/03/357882603.db2.gz GZOVKEJYDBUQFT-UHFFFAOYSA-N 2 0 305.378 2.190 20 5 DEBDRP Cc1c([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000155005551 197012372 /nfs/dbraw/zinc/01/23/72/197012372.db2.gz ZFVKZEUQHQJFDF-ZFWWWQNUSA-N 2 0 320.437 2.190 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000120416681 195162081 /nfs/dbraw/zinc/16/20/81/195162081.db2.gz IZSGYVCHOMSEAO-HNNXBMFYSA-N 2 0 320.437 2.191 20 5 DEBDRP C/C(=C\c1cccc([N+](=O)[O-])c1)C[NH2+]CCOCC[NH+](C)C ZINC000349250140 533408823 /nfs/dbraw/zinc/40/88/23/533408823.db2.gz FNXTXOMDSKLPCO-SDNWHVSQSA-N 2 0 307.394 2.166 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC(OCCC[NH3+])CC1 ZINC000316480401 145363049 /nfs/dbraw/zinc/36/30/49/145363049.db2.gz RZGPTYADODROBU-ZDUSSCGKSA-N 2 0 307.394 2.486 20 5 DEBDRP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1[N+](=O)[O-] ZINC000151828988 402059169 /nfs/dbraw/zinc/05/91/69/402059169.db2.gz FRLOABAKJZWAFX-CQSZACIVSA-N 2 0 321.421 2.258 20 5 DEBDRP Cc1c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000162524220 402423615 /nfs/dbraw/zinc/42/36/15/402423615.db2.gz VWCIOYSLGMXPQV-HNNXBMFYSA-N 2 0 320.437 2.191 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000415123884 404813104 /nfs/dbraw/zinc/81/31/04/404813104.db2.gz LRLGZOBHJDKGHZ-NVXWUHKLSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130126 404814684 /nfs/dbraw/zinc/81/46/84/404814684.db2.gz QLMYSJDMSRITDK-IRXDYDNUSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cccc([N+](=O)[O-])c2)CC1 ZINC000415134300 404815943 /nfs/dbraw/zinc/81/59/43/404815943.db2.gz VXKOXPNRFOCGEW-IAGOWNOFSA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420332568 405322616 /nfs/dbraw/zinc/32/26/16/405322616.db2.gz DFZGXMAYTVGRIM-KRWDZBQOSA-N 2 0 319.405 2.438 20 5 DEBDRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000430600491 405464571 /nfs/dbraw/zinc/46/45/71/405464571.db2.gz SAVXZIKDEKUNRE-OAHLLOKOSA-N 2 0 322.409 2.229 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423489788 405824878 /nfs/dbraw/zinc/82/48/78/405824878.db2.gz GUQPIVQNWQGJOP-YRGRVCCFSA-N 2 0 320.393 2.029 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[C@H]2CCC[NH2+]2)n1 ZINC000423473282 275040525 /nfs/dbraw/zinc/04/05/25/275040525.db2.gz GQHQRIXEVDVMCI-RBSFLKMASA-N 2 0 321.425 2.397 20 5 DEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424369761 278222096 /nfs/dbraw/zinc/22/20/96/278222096.db2.gz CJQJMRAGJNEYTH-NILFDRSVSA-N 2 0 320.393 2.171 20 5 DEBDRP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc([N+](=O)[O-])c1 ZINC000925812230 635519473 /nfs/dbraw/zinc/51/94/73/635519473.db2.gz WBAGKWMRGQVQDA-MRXNPFEDSA-N 2 0 306.410 2.059 20 5 DEBDRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968972 647553024 /nfs/dbraw/zinc/55/30/24/647553024.db2.gz HZHPRYXJELDLPD-WMLDXEAASA-N 2 0 321.421 2.340 20 5 DEBDRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000818990811 647559400 /nfs/dbraw/zinc/55/94/00/647559400.db2.gz OHXPCZFIBHTTFG-KRWDZBQOSA-N 2 0 321.421 2.340 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)c1 ZINC000819333847 647637359 /nfs/dbraw/zinc/63/73/59/647637359.db2.gz QUENBMDTASXMJS-QGZVFWFLSA-N 2 0 321.421 2.484 20 5 DEBDRP C[C@H]([NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873271116 689199400 /nfs/dbraw/zinc/19/94/00/689199400.db2.gz DUIDVUXAAAKCDU-QEJZJMRPSA-N 2 0 321.425 2.253 20 5 DEBDRP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000876897480 689967553 /nfs/dbraw/zinc/96/75/53/689967553.db2.gz UEXCFANMDHEJLX-WLYUNCDWSA-N 2 0 321.425 2.349 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000886841695 692207835 /nfs/dbraw/zinc/20/78/35/692207835.db2.gz SMJWIRGCAMLYMU-AWEZNQCLSA-N 2 0 304.394 2.201 20 5 DEBDRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc([N+](=O)[O-])cc1 ZINC000925848189 693353142 /nfs/dbraw/zinc/35/31/42/693353142.db2.gz BQXBXGGLNJVONE-OAHLLOKOSA-N 2 0 320.437 2.321 20 5 DEBDRP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000925876486 693358349 /nfs/dbraw/zinc/35/83/49/693358349.db2.gz ZJPZJMMXXYFMRP-UONOGXRCSA-N 2 0 318.421 2.281 20 5 DEBDRP Cc1nn(C[N@H+]2C[C@@H]3CC[C@@H]([NH+](C)C)C[C@@H]3C2)c(C)c1[N+](=O)[O-] ZINC001356057136 1152055065 /nfs/dbraw/zinc/05/50/65/1152055065.db2.gz NBKCRHZINYQWNC-RRFJBIMHSA-N 2 0 321.425 2.028 20 5 DEBDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990272 785007198 /nfs/dbraw/zinc/00/71/98/785007198.db2.gz ZMVDVXYTFAMTGG-ZBFHGGJFSA-N 2 0 321.421 2.162 20 5 DEBDRP C[NH+](C)CCOc1cc(NC[C@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001171335854 791786824 /nfs/dbraw/zinc/78/68/24/791786824.db2.gz SSAPJYKLYGFDNG-CQSZACIVSA-N 2 0 322.409 2.089 20 5 DEBDRP COc1ccc(C[C@@H](C)[N@@H+]2CCC[C@H]([NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246539213 1140944767 /nfs/dbraw/zinc/94/47/67/1140944767.db2.gz FNAVYSMCBKIJEG-OCCSQVGLSA-N 2 0 307.394 2.348 20 5 DEBDRP C[NH+]1CCC2(CC[N@@H+]([C@@H]3Cc4ccc([N+](=O)[O-])cc4C3)C2)CC1 ZINC001254602777 1143276914 /nfs/dbraw/zinc/27/69/14/1143276914.db2.gz ITBGXYPTEABKAY-QGZVFWFLSA-N 2 0 315.417 2.480 20 5 DEBDRP CCC[NH+]1C[C@@H]2C[NH+]([C@H]3Cc4ccc([N+](=O)[O-])cc4C3)C[C@H]2C1 ZINC001254610519 1143282462 /nfs/dbraw/zinc/28/24/62/1143282462.db2.gz KLFCFTGZIHRVPP-NUJGCVRESA-N 2 0 315.417 2.336 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1 ZINC001327090251 1148322762 /nfs/dbraw/zinc/32/27/62/1148322762.db2.gz RKVYXMICUWBRMB-UHFFFAOYSA-N 2 0 319.405 2.439 20 5 DEBDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000173405651 198210973 /nfs/dbraw/zinc/21/09/73/198210973.db2.gz UDJNMMOPYQEWQA-WMLDXEAASA-N 2 0 321.421 2.482 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000592469632 357882443 /nfs/dbraw/zinc/88/24/43/357882443.db2.gz XKZBNISXYMIOAJ-OUCADQQQSA-N 2 0 305.378 2.081 20 5 DEBDRP [NH3+]C1(C[NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CCCC1 ZINC000596648239 358732147 /nfs/dbraw/zinc/73/21/47/358732147.db2.gz MXZWERZSNWKPSR-QWHCGFSZSA-N 2 0 307.398 2.136 20 5 DEBDRP Cc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1[N+](=O)[O-] ZINC000414784599 404734467 /nfs/dbraw/zinc/73/44/67/404734467.db2.gz INJFRUSAAYKLAY-OAHLLOKOSA-N 2 0 319.405 2.091 20 5 DEBDRP COCC1(C[NH2+]C/C=C\c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414977533 404780481 /nfs/dbraw/zinc/78/04/81/404780481.db2.gz RCTXIYGYGATVEH-XQRVVYSFSA-N 2 0 319.405 2.214 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415014798 404788280 /nfs/dbraw/zinc/78/82/80/404788280.db2.gz MWIGOXUZNTZEDG-CHWSQXEVSA-N 2 0 322.409 2.419 20 5 DEBDRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3cccc([N+](=O)[O-])c3)CC2)C1 ZINC000415123606 404813058 /nfs/dbraw/zinc/81/30/58/404813058.db2.gz LLVNXGLTOBGGFM-RDJZCZTQSA-N 2 0 319.405 2.313 20 5 DEBDRP Cc1cc([N+](=O)[O-])ccc1NC(=O)CC[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424336742 405071466 /nfs/dbraw/zinc/07/14/66/405071466.db2.gz QUCXAVAJFKYGGO-UKRRQHHQSA-N 2 0 320.393 2.091 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423363459 405778799 /nfs/dbraw/zinc/77/87/99/405778799.db2.gz IZXVXGMWHUUDPU-RQJABVFESA-N 2 0 307.398 2.135 20 5 DEBDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCCCc1ccc([N+](=O)[O-])cc1 ZINC000422921181 230277908 /nfs/dbraw/zinc/27/79/08/230277908.db2.gz NOYRIYQTVIVOOH-IAOVAPTHSA-N 2 0 321.421 2.259 20 5 DEBDRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173384671 267476325 /nfs/dbraw/zinc/47/63/25/267476325.db2.gz GOJDLAQHQCLUCH-LSDHHAIUSA-N 2 0 320.437 2.129 20 5 DEBDRP CC[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000923378822 637147481 /nfs/dbraw/zinc/14/74/81/637147481.db2.gz NCJGQRKTRGEEQW-CABCVRRESA-N 2 0 305.378 2.014 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000841057400 650417084 /nfs/dbraw/zinc/41/70/84/650417084.db2.gz KNCPRSMIYVMGLS-AWEZNQCLSA-N 2 0 318.421 2.295 20 5 DEBDRP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000841064704 650419655 /nfs/dbraw/zinc/41/96/55/650419655.db2.gz UEZGQBXKOQHNRL-GUYCJALGSA-N 2 0 318.421 2.151 20 5 DEBDRP COc1cc(C[N@@H+]2CC[C@@H](C[NH3+])[C@@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411236 643662053 /nfs/dbraw/zinc/66/20/53/643662053.db2.gz KFYTXYHGWZXHRH-RYUDHWBXSA-N 2 0 323.393 2.029 20 5 DEBDRP [NH3+]CCCCCC[NH2+][C@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000843342955 650953338 /nfs/dbraw/zinc/95/33/38/650953338.db2.gz VTYQNSIBQUFZPK-KBPBESRZSA-N 2 0 309.414 2.384 20 5 DEBDRP [NH3+]C1CCC([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1 ZINC000817948379 647390926 /nfs/dbraw/zinc/39/09/26/647390926.db2.gz YYZBADXXRZIBCJ-UHFFFAOYSA-N 2 0 318.421 2.423 20 5 DEBDRP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000872228909 688958126 /nfs/dbraw/zinc/95/81/26/688958126.db2.gz MOFVWCVIQPJUOX-WIHSUSGWSA-N 2 0 321.421 2.481 20 5 DEBDRP C[NH+](C)CC[C@@H]([NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)C(C)(C)C ZINC000877035762 690004322 /nfs/dbraw/zinc/00/43/22/690004322.db2.gz AGZQBVZMKBZARV-SSDMNJCBSA-N 2 0 323.441 2.451 20 5 DEBDRP O=[N+]([O-])c1ncccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000886838272 692206590 /nfs/dbraw/zinc/20/65/90/692206590.db2.gz URCUXYYNYNRZAV-UONOGXRCSA-N 2 0 304.394 2.201 20 5 DEBDRP [NH3+]CCCC[NH2+]CCCNc1nc2ccccc2cc1[N+](=O)[O-] ZINC001162292773 799052104 /nfs/dbraw/zinc/05/21/04/799052104.db2.gz PTJZNUGCBOCRNN-UHFFFAOYSA-N 2 0 317.393 2.274 20 5 DEBDRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc([N+](=O)[O-])cc1 ZINC001576482550 1066620390 /nfs/dbraw/zinc/62/03/90/1066620390.db2.gz ZDZUWIYPUPBFMO-HNNXBMFYSA-N 2 0 307.394 2.341 20 5 DEBDRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc([N+](=O)[O-])cc1 ZINC000319945331 356442323 /nfs/dbraw/zinc/44/23/23/356442323.db2.gz HFJQKYVCNDUSRB-AWEZNQCLSA-N 2 0 320.437 2.271 20 5 DEBDRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccc([N+](=O)[O-])cc1 ZINC000592438266 357877470 /nfs/dbraw/zinc/87/74/70/357877470.db2.gz IFEJRBAZMANVCB-NEPJUHHUSA-N 2 0 317.393 2.211 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000268972152 207134182 /nfs/dbraw/zinc/13/41/82/207134182.db2.gz IFTQYCHQEUNABJ-ZDUSSCGKSA-N 2 0 307.394 2.011 20 5 DEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccccc3[N+](=O)[O-])C[C@@H]21 ZINC000342100371 404367264 /nfs/dbraw/zinc/36/72/64/404367264.db2.gz JZSBAGHDLFVLDV-HZSPNIEDSA-N 2 0 305.378 2.033 20 5 DEBDRP CCC([NH3+])(CC)C[NH2+][C@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423289929 405749309 /nfs/dbraw/zinc/74/93/09/405749309.db2.gz YNBRAWWTJNDENA-GFCCVEGCSA-N 2 0 322.409 2.419 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423367583 405780592 /nfs/dbraw/zinc/78/05/92/405780592.db2.gz CUQPNHYRIKGQSQ-MBNYWOFBSA-N 2 0 320.393 2.171 20 5 DEBDRP C[C@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000173384656 267476504 /nfs/dbraw/zinc/47/65/04/267476504.db2.gz GOJDLAQHQCLUCH-CABCVRRESA-N 2 0 320.437 2.129 20 5 DEBDRP O=[N+]([O-])c1ccn([C@H]2CCCC[C@H]2[NH2+]CCC2=CC[NH2+]CC2)n1 ZINC000423536125 304811530 /nfs/dbraw/zinc/81/15/30/304811530.db2.gz GQROBBJMVWAPST-CABCVRRESA-N 2 0 319.409 2.174 20 5 DEBDRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(N)c([N+](=O)[O-])c1 ZINC000296648764 533814310 /nfs/dbraw/zinc/81/43/10/533814310.db2.gz YQOZNGFLQTXMHH-HLVVYCRESA-N 2 0 304.394 2.453 20 5 DEBDRP Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000127498119 525729177 /nfs/dbraw/zinc/72/91/77/525729177.db2.gz FSJWYXGRCPKNFP-HUUCEWRRSA-N 2 0 320.437 2.190 20 5 DEBDRP C[C@@H]1CC2(C[N@@H+]1C[C@@H](O)c1cccc([N+](=O)[O-])c1)CC[NH2+]CC2 ZINC000923383019 637149238 /nfs/dbraw/zinc/14/92/38/637149238.db2.gz GMXDFHRBJXDOCH-CZUORRHYSA-N 2 0 319.405 2.092 20 5 DEBDRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccccc1[N+](=O)[O-] ZINC000902429042 643035317 /nfs/dbraw/zinc/03/53/17/643035317.db2.gz JMSFSNQUUFCSOQ-AYRXBEOTSA-N 2 0 307.394 2.040 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497305 643372316 /nfs/dbraw/zinc/37/23/16/643372316.db2.gz UXNXVWNSNBFWAK-CHWSQXEVSA-N 2 0 307.394 2.410 20 5 DEBDRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000843342959 650953318 /nfs/dbraw/zinc/95/33/18/650953318.db2.gz VTYQNSIBQUFZPK-ZIAGYGMSSA-N 2 0 309.414 2.384 20 5 DEBDRP [NH3+]CCCCCC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000843342956 650953658 /nfs/dbraw/zinc/95/36/58/650953658.db2.gz VTYQNSIBQUFZPK-KGLIPLIRSA-N 2 0 309.414 2.384 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000817967428 647395826 /nfs/dbraw/zinc/39/58/26/647395826.db2.gz IFWDNQHXTDAMEL-UHFFFAOYSA-N 2 0 316.405 2.073 20 5 DEBDRP C[C@H]([NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C[NH+](C)C ZINC000819102605 647584053 /nfs/dbraw/zinc/58/40/53/647584053.db2.gz MYCLLWYECHXDPL-SWLSCSKDSA-N 2 0 309.410 2.194 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151410 647595699 /nfs/dbraw/zinc/59/56/99/647595699.db2.gz BLBRGCVXDYAPIH-YOEHRIQHSA-N 2 0 321.421 2.196 20 5 DEBDRP O=[N+]([O-])c1cnn(C2CC([NH2+]C3CC[NH+](C4CCC4)CC3)C2)c1 ZINC000876971464 689986964 /nfs/dbraw/zinc/98/69/64/689986964.db2.gz AJIPBRXMGBBHTM-UHFFFAOYSA-N 2 0 319.409 2.101 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC000931487186 694410116 /nfs/dbraw/zinc/41/01/16/694410116.db2.gz VCGVBYMXMCPUEW-ZDUSSCGKSA-N 2 0 307.394 2.044 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C)CC2)c([N+](=O)[O-])c1 ZINC001170300113 786894895 /nfs/dbraw/zinc/89/48/95/786894895.db2.gz XBFPSXVQFYPAFY-ZDUSSCGKSA-N 2 0 321.421 2.466 20 5 DEBDRP CC[NH+]1C[C@@H]2C[NH+]([C@H](C)Cc3ccc([N+](=O)[O-])cc3)C[C@H]2C1 ZINC001173238398 793656425 /nfs/dbraw/zinc/65/64/25/793656425.db2.gz RFHYBMOTIPLDDW-FVQBIDKESA-N 2 0 303.406 2.409 20 5 DEBDRP [NH3+]CCc1cn(-c2cc([N+](=O)[O-])c3cc[nH]c3n2)c2cc[nH+]cc12 ZINC001160950941 798769291 /nfs/dbraw/zinc/76/92/91/798769291.db2.gz VISSPDMXQQHGJH-UHFFFAOYSA-N 2 0 322.328 2.311 20 5 DEBDRP O=[N+]([O-])c1cc2c(cc1NC[C@@]1(F)CCCC[NH2+]C1)C[NH2+]C2 ZINC001162583602 799124100 /nfs/dbraw/zinc/12/41/00/799124100.db2.gz PWUGULBQKIEAAY-OAHLLOKOSA-N 2 0 308.357 2.092 20 5 DEBDRP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001329025169 1148858958 /nfs/dbraw/zinc/85/89/58/1148858958.db2.gz SONCAGPJJWAGOP-CYBMUJFWSA-N 2 0 306.410 2.009 20 5 DEBDRP CCC(CC)(C[NH3+])C[N@@H+]1CC[C@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001577050762 1066753486 /nfs/dbraw/zinc/75/34/86/1066753486.db2.gz CNRPKANQYTYGCX-ZDUSSCGKSA-N 2 0 321.425 2.241 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CC2 ZINC001246195690 1140872165 /nfs/dbraw/zinc/87/21/65/1140872165.db2.gz BHYREFAEGPVRAM-CZUORRHYSA-N 2 0 303.406 2.431 20 5 DEBDRP [NH3+]C[C@]1(F)CCC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001246552862 1140959464 /nfs/dbraw/zinc/95/94/64/1140959464.db2.gz WDCOBCOSBGQWQI-CVEARBPZSA-N 2 0 307.369 2.215 20 5 DEBDRP [NH3+][C@H]1CCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254476064 1143130618 /nfs/dbraw/zinc/13/06/18/1143130618.db2.gz KNWUIGSIFFCULT-JKSUJKDBSA-N 2 0 304.394 2.033 20 5 DEBDRP O=[N+]([O-])c1cnn(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1 ZINC000090539292 355563265 /nfs/dbraw/zinc/56/32/65/355563265.db2.gz LSURFDRTGZRXPP-UHFFFAOYSA-N 2 0 321.425 2.178 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@@H]2[NH2+][C@H]2CCC[NH2+]CC2)n1 ZINC000591578377 357737625 /nfs/dbraw/zinc/73/76/25/357737625.db2.gz XMEMTOCBKRFLQY-MELADBBJSA-N 2 0 307.398 2.007 20 5 DEBDRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3[N+](=O)[O-])C2)C1 ZINC000593314259 358052635 /nfs/dbraw/zinc/05/26/35/358052635.db2.gz BLWYLHQEZTZTAC-BFYDXBDKSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccc([N+](=O)[O-])cc1)C2 ZINC000593729054 358131125 /nfs/dbraw/zinc/13/11/25/358131125.db2.gz DNUOKMLLDSNTAB-BBRMVZONSA-N 2 0 305.378 2.034 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000531976444 284635272 /nfs/dbraw/zinc/63/52/72/284635272.db2.gz GQCXUVDVIZCDDB-CYBMUJFWSA-N 2 0 307.394 2.011 20 5 DEBDRP O=[N+]([O-])c1ccccc1N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420303550 285163605 /nfs/dbraw/zinc/16/36/05/285163605.db2.gz KQYGVIJOGWOFEF-OAHLLOKOSA-N 2 0 318.421 2.107 20 5 DEBDRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1cc([N+](=O)[O-])ccc1OC(F)F ZINC000346694068 146125504 /nfs/dbraw/zinc/12/55/04/146125504.db2.gz RRXVOQXPHZDLGU-UWVGGRQHSA-N 2 0 315.320 2.365 20 5 DEBDRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cccc1[N+](=O)[O-] ZINC000151839304 402060076 /nfs/dbraw/zinc/06/00/76/402060076.db2.gz YNZZCQULHPZODS-AWEZNQCLSA-N 2 0 321.421 2.258 20 5 DEBDRP C[C@@H]1CC2(C[N@@H+]1CCOc1ccccc1[N+](=O)[O-])CC[NH2+]CC2 ZINC000424292888 405059996 /nfs/dbraw/zinc/05/99/96/405059996.db2.gz OOPIXRHQNIUVGK-CQSZACIVSA-N 2 0 319.405 2.438 20 5 DEBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420299803 405310753 /nfs/dbraw/zinc/31/07/53/405310753.db2.gz JHHAHNIFUIRDOH-AWEZNQCLSA-N 2 0 319.405 2.438 20 5 DEBDRP C[N@H+](CCc1ncc(-c2cccc([N+](=O)[O-])c2)o1)C1CC([NH3+])C1 ZINC000420329658 405321552 /nfs/dbraw/zinc/32/15/52/405321552.db2.gz KLRVZFAAKLYKMP-UHFFFAOYSA-N 2 0 316.361 2.214 20 5 DEBDRP C[C@@H](Cc1ccccc1[N+](=O)[O-])[NH2+]C[C@H]1CCNCC1(F)F ZINC000423480064 405819057 /nfs/dbraw/zinc/81/90/57/405819057.db2.gz ORZSUJZQXAUVIJ-WCQYABFASA-N 2 0 313.348 2.360 20 5 DEBDRP C[C@@H]1C[C@H](C)[N@H+](CCOc2cccc([N+](=O)[O-])c2)C[C@@H]1C[NH3+] ZINC000422624990 230156929 /nfs/dbraw/zinc/15/69/29/230156929.db2.gz AGUISUWXPPPBLA-RDBSUJKOSA-N 2 0 307.394 2.279 20 5 DEBDRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1 ZINC000841085046 650426152 /nfs/dbraw/zinc/42/61/52/650426152.db2.gz STVVKNRDHQFYRG-UKRRQHHQSA-N 2 0 318.421 2.281 20 5 DEBDRP C[C@@H]1CCCN1CC[NH2+][C@@H]1CCCC[C@@H]1n1ccc([N+](=O)[O-])n1 ZINC000774209925 641877142 /nfs/dbraw/zinc/87/71/42/641877142.db2.gz PQYQDDBPCJDLHR-KFWWJZLASA-N 2 0 321.425 2.349 20 5 DEBDRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000902359602 643018489 /nfs/dbraw/zinc/01/84/89/643018489.db2.gz DVFDHEJJNKPCQS-ZDUSSCGKSA-N 2 0 307.394 2.341 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819151409 647595279 /nfs/dbraw/zinc/59/52/79/647595279.db2.gz BLBRGCVXDYAPIH-WMLDXEAASA-N 2 0 321.421 2.196 20 5 DEBDRP C[N@H+](CCCC[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1CC1 ZINC000819361014 647643766 /nfs/dbraw/zinc/64/37/66/647643766.db2.gz FZXJNFBTMQOLQA-MRXNPFEDSA-N 2 0 307.394 2.092 20 5 DEBDRP C[C@@H](CC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1)[NH+]1CCCCC1 ZINC000877315272 690074674 /nfs/dbraw/zinc/07/46/74/690074674.db2.gz MLYGWQRNHLBJIJ-NFOMZHRRSA-N 2 0 321.425 2.349 20 5 DEBDRP CCC1([NH3+])CC[NH+]([C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757143 693336425 /nfs/dbraw/zinc/33/64/25/693336425.db2.gz CZGVJFUHZGQPRE-ZIAGYGMSSA-N 2 0 321.425 2.478 20 5 DEBDRP O=[N+]([O-])C[C@H]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)cc2)C1 ZINC001168967741 784989858 /nfs/dbraw/zinc/98/98/58/784989858.db2.gz SVQWPKSGBGNYSH-LSDHHAIUSA-N 2 0 300.362 2.407 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2[NH3+])c1F ZINC001173182576 793621816 /nfs/dbraw/zinc/62/18/16/793621816.db2.gz HJTOYFYMYUBTNP-ZMLRMANQSA-N 2 0 311.357 2.143 20 5 DEBDRP [NH3+]CCC[C@H]([NH3+])Nc1nc2ccccc2c(Cl)c1[N+](=O)[O-] ZINC001159785999 798608348 /nfs/dbraw/zinc/60/83/48/798608348.db2.gz VHYWVZBYDPSENG-SNVBAGLBSA-N 2 0 309.757 2.232 20 5 DEBDRP [NH3+]CCCC[NH2+]CCCNc1ccc2cccc([N+](=O)[O-])c2n1 ZINC001162290135 799051534 /nfs/dbraw/zinc/05/15/34/799051534.db2.gz KMRPKSUGGDQPLY-UHFFFAOYSA-N 2 0 317.393 2.274 20 5 DEBDRP C[NH2+]Cc1ccccc1C[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC001578741174 1067159906 /nfs/dbraw/zinc/15/99/06/1067159906.db2.gz HURRLYNKRCKXQW-UHFFFAOYSA-N 2 0 315.377 2.004 20 5 DEBDRP C[NH+](C)CC1CC[NH+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC1 ZINC001254598139 1143272537 /nfs/dbraw/zinc/27/25/37/1143272537.db2.gz HFCLYSZLMTXLAW-QGZVFWFLSA-N 2 0 303.406 2.336 20 5 DEBDRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000173391502 198209680 /nfs/dbraw/zinc/20/96/80/198209680.db2.gz RQFPPAPAGCREFL-HNNXBMFYSA-N 2 0 320.437 2.273 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000330518917 282885240 /nfs/dbraw/zinc/88/52/40/282885240.db2.gz NIJJGEUQEVKLDM-UHFFFAOYSA-N 2 0 307.394 2.377 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+][C@H]2CC23CC[NH2+]CC3)n1 ZINC000591581773 357738894 /nfs/dbraw/zinc/73/88/94/357738894.db2.gz SGDZGUWWIMFKHE-MCIONIFRSA-N 2 0 319.409 2.007 20 5 DEBDRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc([N+](=O)[O-])cc3)C2)C1 ZINC000593315372 358053162 /nfs/dbraw/zinc/05/31/62/358053162.db2.gz IZKROUMLSFMGHE-INMHGKMJSA-N 2 0 319.405 2.313 20 5 DEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]CC1([NH3+])CCCC1 ZINC000596648228 358732112 /nfs/dbraw/zinc/73/21/12/358732112.db2.gz MNSBLXNWMIQBCN-LBPRGKRZSA-N 2 0 320.393 2.173 20 5 DEBDRP COc1ccc(OCC[NH+]2CCC(CC[NH3+])CC2)c([N+](=O)[O-])c1 ZINC000563816353 292074689 /nfs/dbraw/zinc/07/46/89/292074689.db2.gz LJXUVIBYYGHBFY-UHFFFAOYSA-N 2 0 323.393 2.043 20 5 DEBDRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3cccc([N+](=O)[O-])c3)CC[C@H]21 ZINC000248118407 145148630 /nfs/dbraw/zinc/14/86/30/145148630.db2.gz NAJLAQSNVKWMPF-RHSMWYFYSA-N 2 0 319.405 2.390 20 5 DEBDRP COc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1[N+](=O)[O-] ZINC000357043413 147028818 /nfs/dbraw/zinc/02/88/18/147028818.db2.gz GBDYRDXKDVKJOI-HNNXBMFYSA-N 2 0 319.405 2.425 20 5 DEBDRP C[C@@H](C[NH2+][C@@H](C)c1cccc([N+](=O)[O-])c1)CN1CC[NH+](C)CC1 ZINC000173384644 402695431 /nfs/dbraw/zinc/69/54/31/402695431.db2.gz GOJDLAQHQCLUCH-GJZGRUSLSA-N 2 0 320.437 2.129 20 5 DEBDRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3ccc([N+](=O)[O-])cc32)CC1 ZINC000278680352 402869515 /nfs/dbraw/zinc/86/95/15/402869515.db2.gz JTWZIYLMHAOTEE-INIZCTEOSA-N 2 0 319.405 2.019 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344059335 403882963 /nfs/dbraw/zinc/88/29/63/403882963.db2.gz LPXOXYJPMUTLLS-HNNXBMFYSA-N 2 0 322.453 2.471 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@@H]21 ZINC000342094237 404362569 /nfs/dbraw/zinc/36/25/69/404362569.db2.gz FCPFXOJZLLDNOA-VBNZEHGJSA-N 2 0 305.378 2.033 20 5 DEBDRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2[N+](=O)[O-])CC1 ZINC000415117964 404811544 /nfs/dbraw/zinc/81/15/44/404811544.db2.gz DMIBAXKNYCCBBI-NVXWUHKLSA-N 2 0 319.405 2.313 20 5 DEBDRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc([N+](=O)[O-])cc2)CC1 ZINC000415130127 404814696 /nfs/dbraw/zinc/81/46/96/404814696.db2.gz QLMYSJDMSRITDK-SJORKVTESA-N 2 0 319.405 2.313 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321034 405318628 /nfs/dbraw/zinc/31/86/28/405318628.db2.gz CDSBSIPYVHJSRP-HUUCEWRRSA-N 2 0 319.405 2.295 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423363460 405778473 /nfs/dbraw/zinc/77/84/73/405778473.db2.gz IZXVXGMWHUUDPU-XJFOESAGSA-N 2 0 307.398 2.135 20 5 DEBDRP CC1(C[NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC[NH2+]CC1 ZINC000423321043 275896473 /nfs/dbraw/zinc/89/64/73/275896473.db2.gz FWYJTTALFXXIHV-ZIAGYGMSSA-N 2 0 321.425 2.254 20 5 DEBDRP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)C1 ZINC000925594547 625428541 /nfs/dbraw/zinc/42/85/41/625428541.db2.gz DJIHJOFUCYPBGX-QWHCGFSZSA-N 2 0 307.394 2.469 20 5 DEBDRP C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CCC[NH3+] ZINC000923386686 637155442 /nfs/dbraw/zinc/15/54/42/637155442.db2.gz AGWRHIHKIPPMHB-XYPHTWIQSA-N 2 0 321.421 2.468 20 5 DEBDRP C[C@@H]1CCC[N@H+](C[C@H](O)c2cccc([N+](=O)[O-])c2)[C@H]1CC[NH3+] ZINC000923389266 637155764 /nfs/dbraw/zinc/15/57/64/637155764.db2.gz USLVYSWEYORPLG-KCXAZCMYSA-N 2 0 307.394 2.078 20 5 DEBDRP Cc1c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cccc1[N+](=O)[O-] ZINC000923452009 637189561 /nfs/dbraw/zinc/18/95/61/637189561.db2.gz DEJZTMSXOOIFAX-OAHLLOKOSA-N 2 0 319.405 2.233 20 5 DEBDRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC[NH2+]1 ZINC000841005783 640569174 /nfs/dbraw/zinc/56/91/74/640569174.db2.gz KBORMCPVTINOLW-GJZGRUSLSA-N 2 0 318.421 2.105 20 5 DEBDRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000765451967 640780258 /nfs/dbraw/zinc/78/02/58/640780258.db2.gz URMIYVQFAIMXJM-AWEZNQCLSA-N 2 0 320.437 2.493 20 5 DEBDRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907153 647379233 /nfs/dbraw/zinc/37/92/33/647379233.db2.gz KTOSLYXSQHQQLM-NSHDSACASA-N 2 0 301.774 2.092 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000818984353 647557816 /nfs/dbraw/zinc/55/78/16/647557816.db2.gz FJVCOHQLIQNBPN-YOEHRIQHSA-N 2 0 321.421 2.338 20 5 DEBDRP CCC[N@H+](CC[N+](=O)[O-])C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000929983239 694064305 /nfs/dbraw/zinc/06/43/05/694064305.db2.gz ZEHWLRUHSCCGNA-UHFFFAOYSA-N 2 0 321.425 2.051 20 5 DEBDRP C[C@@H]1CC[N@@H+]([C@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@H]1C[NH3+] ZINC001246558642 1140962389 /nfs/dbraw/zinc/96/23/89/1140962389.db2.gz NTCGBVBHGQCIRZ-IFIJOSMWSA-N 2 0 303.406 2.369 20 5 DEBDRP C[C@@H]1CC[N@@H+]([C@@H]2Cc3ccc([N+](=O)[O-])cc3C2)CC[C@@H]1C[NH3+] ZINC001246558644 1140964318 /nfs/dbraw/zinc/96/43/18/1140964318.db2.gz NTCGBVBHGQCIRZ-SUYBPPKGSA-N 2 0 303.406 2.369 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420333780 229661158 /nfs/dbraw/zinc/66/11/58/229661158.db2.gz FRPOFVCBKIPNQV-OAHLLOKOSA-N 2 0 319.405 2.438 20 5 DEBDRP C[C@H]([NH2+]CCOc1ccc([N+](=O)[O-])cc1)C1CC[NH+](C)CC1 ZINC000089580924 355536966 /nfs/dbraw/zinc/53/69/66/355536966.db2.gz LTRRQFLONPGUHO-ZDUSSCGKSA-N 2 0 307.394 2.294 20 5 DEBDRP C[C@@H]1CCC[N@H+](CCOc2ccc([N+](=O)[O-])cc2)[C@@H]1CC[NH3+] ZINC000593733994 358132558 /nfs/dbraw/zinc/13/25/58/358132558.db2.gz QOKJWHZYAUOPSI-CZUORRHYSA-N 2 0 307.394 2.423 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC[C@@H]2CCC[NH2+]2)n1 ZINC000423473283 285168936 /nfs/dbraw/zinc/16/89/36/285168936.db2.gz GQHQRIXEVDVMCI-RRFJBIMHSA-N 2 0 321.425 2.397 20 5 DEBDRP CC[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000155063318 402243541 /nfs/dbraw/zinc/24/35/41/402243541.db2.gz HECCWZXBZDTXTK-WMLDXEAASA-N 2 0 320.437 2.271 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH+]2CCC(c3ncc[nH]3)CC2)c1 ZINC000269642180 403152579 /nfs/dbraw/zinc/15/25/79/403152579.db2.gz JRHLIGLHAMOPHC-OAHLLOKOSA-N 2 0 316.361 2.231 20 5 DEBDRP C[C@H](N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(N)c([N+](=O)[O-])c1 ZINC000283998480 403237770 /nfs/dbraw/zinc/23/77/70/403237770.db2.gz HSFOOKBSJGZVQR-CQDKDKBSSA-N 2 0 304.394 2.454 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3cccc([N+](=O)[O-])c3)C[C@@H]21 ZINC000342106097 404370149 /nfs/dbraw/zinc/37/01/49/404370149.db2.gz OSBJGJJOULENJA-VBNZEHGJSA-N 2 0 305.378 2.033 20 5 DEBDRP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]C2)c([N+](=O)[O-])cc1OC ZINC000414855671 404749537 /nfs/dbraw/zinc/74/95/37/404749537.db2.gz XENGBAOHHQVZLU-GFCCVEGCSA-N 2 0 323.393 2.091 20 5 DEBDRP COCC1(C[NH2+]C/C=C/c2ccccc2[N+](=O)[O-])CC[NH2+]CC1 ZINC000414977532 404780549 /nfs/dbraw/zinc/78/05/49/404780549.db2.gz RCTXIYGYGATVEH-GQCTYLIASA-N 2 0 319.405 2.214 20 5 DEBDRP C[C@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414956241 404775367 /nfs/dbraw/zinc/77/53/67/404775367.db2.gz VBYAHBJUGGXLME-BZPMIXESSA-N 2 0 320.393 2.042 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332248 405322707 /nfs/dbraw/zinc/32/27/07/405322707.db2.gz RRPGZOZAHDLAOO-HUUCEWRRSA-N 2 0 319.405 2.295 20 5 DEBDRP C[C@H](CCCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000415014799 533851267 /nfs/dbraw/zinc/85/12/67/533851267.db2.gz MWIGOXUZNTZEDG-OLZOCXBDSA-N 2 0 322.409 2.419 20 5 DEBDRP CC(C)[N@@H+](Cc1ccc([N+](=O)[O-])cc1)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923309352 637109101 /nfs/dbraw/zinc/10/91/01/637109101.db2.gz KCYKGZIDUHQJPS-MRXNPFEDSA-N 2 0 319.405 2.184 20 5 DEBDRP Cc1ccc(CN2CC[NH2+]CCC23CCOCC3)cc1[N+](=O)[O-] ZINC000903818954 643472406 /nfs/dbraw/zinc/47/24/06/643472406.db2.gz ZODWKIPOTIFFBP-UHFFFAOYSA-N 2 0 319.405 2.248 20 5 DEBDRP O=[N+]([O-])CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000905207804 643831533 /nfs/dbraw/zinc/83/15/33/643831533.db2.gz IUQCTCJNUVJLME-GVDBMIGSSA-N 2 0 303.406 2.153 20 5 DEBDRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818431027 647464913 /nfs/dbraw/zinc/46/49/13/647464913.db2.gz DUWYGIBBOPOXTA-IAGOWNOFSA-N 2 0 318.421 2.423 20 5 DEBDRP CCC1([NH3+])CC[NH+]([C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000925757142 693336655 /nfs/dbraw/zinc/33/66/55/693336655.db2.gz CZGVJFUHZGQPRE-UONOGXRCSA-N 2 0 321.425 2.478 20 5 DEBDRP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C)C2)c([N+](=O)[O-])c1 ZINC001170298096 786893669 /nfs/dbraw/zinc/89/36/69/786893669.db2.gz ZXQRJYGXSYORAZ-QWHCGFSZSA-N 2 0 307.394 2.076 20 5 DEBDRP C[NH+](C)CCOc1cc(NC[C@@H]2CCCC[NH2+]2)ccc1[N+](=O)[O-] ZINC001171335853 791787176 /nfs/dbraw/zinc/78/71/76/791787176.db2.gz SSAPJYKLYGFDNG-AWEZNQCLSA-N 2 0 322.409 2.089 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[N@H+](C)C[C@H](C)C[NH3+])c1F ZINC001173178209 793620521 /nfs/dbraw/zinc/62/05/21/793620521.db2.gz BMMFCRLATAZMMV-MNOVXSKESA-N 2 0 313.373 2.200 20 5 DEBDRP C[NH+](C)CCOc1cc(N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1[N+](=O)[O-] ZINC001162400955 799079058 /nfs/dbraw/zinc/07/90/58/799079058.db2.gz JNWVVYHJQLJSJH-CHWSQXEVSA-N 2 0 322.409 2.217 20 5 DEBDRP C[N+](C)(C)CCCOC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001224623105 802886621 /nfs/dbraw/zinc/88/66/21/802886621.db2.gz LEWOLCSEHSKZCO-IBGZPJMESA-N 2 0 321.485 2.390 20 5 DEBDRP C[NH+](C)[C@H]1CCCC[C@@H]1Nc1cc2c(cc1[N+](=O)[O-])C[NH2+]C2 ZINC001168601749 1084129428 /nfs/dbraw/zinc/12/94/28/1084129428.db2.gz VFHXRLQAYXSKMQ-ZFWWWQNUSA-N 2 0 304.394 2.483 20 5 DEBDRP COc1ccc(C[C@H](C)[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c([N+](=O)[O-])c1 ZINC001246542521 1140948621 /nfs/dbraw/zinc/94/86/21/1140948621.db2.gz PXGRPBPVCFHAJU-SGMGOOAPSA-N 2 0 307.394 2.061 20 5 DEBDRP COc1ccc(C[C@@H](C)[NH+]2CCC(C[NH3+])CC2)c([N+](=O)[O-])c1 ZINC001246540767 1140948785 /nfs/dbraw/zinc/94/87/85/1140948785.db2.gz WULVHNUWMKUPMO-GFCCVEGCSA-N 2 0 307.394 2.205 20 5 DEBDRP C[C@@H](C[NH3+])C[N@H+](C)C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC001254470158 1143128971 /nfs/dbraw/zinc/12/89/71/1143128971.db2.gz QBNSTSBVXZLHGI-ZDUSSCGKSA-N 2 0 306.410 2.090 20 5 DEBDRP [NH3+]C[C@H]1CC[C@H]([NH2+][C@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000602020905 360243909 /nfs/dbraw/zinc/24/39/09/360243909.db2.gz OUQMOTLSKKXVDG-ZQDZILKHSA-N 2 0 321.425 2.382 20 5 DEBDRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc([N+](=O)[O-])cc2)[C@@H](C)C1 ZINC000539069233 285068609 /nfs/dbraw/zinc/06/86/09/285068609.db2.gz SLUMTNICRHSBHN-XJKSGUPXSA-N 2 0 307.394 2.294 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[C@@H]([NH2+]CC1=CC[NH2+]CC1)C1CC1 ZINC000423345921 296514115 /nfs/dbraw/zinc/51/41/15/296514115.db2.gz OORRDBBUNVXFGD-MRXNPFEDSA-N 2 0 301.390 2.425 20 5 DEBDRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000127676756 401744992 /nfs/dbraw/zinc/74/49/92/401744992.db2.gz KFKSHDKZZXCRNQ-RHSMWYFYSA-N 2 0 320.437 2.271 20 5 DEBDRP COc1cc(C[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)c([N+](=O)[O-])cc1OC ZINC000415000750 404785244 /nfs/dbraw/zinc/78/52/44/404785244.db2.gz UCJOPVXEZUWNKR-AAEUAGOBSA-N 2 0 323.393 2.219 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420332569 405322665 /nfs/dbraw/zinc/32/26/65/405322665.db2.gz DFZGXMAYTVGRIM-QGZVFWFLSA-N 2 0 319.405 2.438 20 5 DEBDRP C[C@@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+]C1CCC([NH3+])CC1 ZINC000423222094 405728409 /nfs/dbraw/zinc/72/84/09/405728409.db2.gz ZQNFKGCEFUJBHH-HIFPTAJRSA-N 2 0 320.393 2.171 20 5 DEBDRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)C1 ZINC000423363458 405778898 /nfs/dbraw/zinc/77/88/98/405778898.db2.gz IZXVXGMWHUUDPU-RFGFWPKPSA-N 2 0 307.398 2.135 20 5 DEBDRP Cc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1[N+](=O)[O-] ZINC000154980482 301788134 /nfs/dbraw/zinc/78/81/34/301788134.db2.gz LHVMMDJHYKLYMH-CABCVRRESA-N 2 0 320.437 2.190 20 5 DEBDRP COc1c(O)ccc(C[N@H+](C)CC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC000891935098 624670599 /nfs/dbraw/zinc/67/05/99/624670599.db2.gz NYZHBKGIIFMAJF-UHFFFAOYSA-N 2 0 323.393 2.083 20 5 DEBDRP CC[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000923378825 637147530 /nfs/dbraw/zinc/14/75/30/637147530.db2.gz NCJGQRKTRGEEQW-LSDHHAIUSA-N 2 0 305.378 2.014 20 5 DEBDRP COc1c(O)ccc(C[NH2+]CCCC[N@H+](C)C2CC2)c1[N+](=O)[O-] ZINC000894806760 637218989 /nfs/dbraw/zinc/21/89/89/637218989.db2.gz KPXFFRMDAIHYPZ-UHFFFAOYSA-N 2 0 323.393 2.273 20 5 DEBDRP CC(C)([NH3+])CC[NH2+]C1CCN(c2ccc([N+](=O)[O-])cc2)CC1 ZINC000903940142 643521468 /nfs/dbraw/zinc/52/14/68/643521468.db2.gz YNGLASXQHQSSBY-UHFFFAOYSA-N 2 0 306.410 2.281 20 5 DEBDRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc([N+](=O)[O-])ccc1Cl ZINC000817907151 647379185 /nfs/dbraw/zinc/37/91/85/647379185.db2.gz KTOSLYXSQHQQLM-LLVKDONJSA-N 2 0 301.774 2.092 20 5 DEBDRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccc(N)c([N+](=O)[O-])c1 ZINC000817986101 647400758 /nfs/dbraw/zinc/40/07/58/647400758.db2.gz IREHSMSLEXCQHH-IGHBBLSQSA-N 2 0 304.394 2.216 20 5 DEBDRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000818990903 647559847 /nfs/dbraw/zinc/55/98/47/647559847.db2.gz RUIXDGDXQNMWGA-KRWDZBQOSA-N 2 0 321.421 2.340 20 5 DEBDRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000819151865 647595200 /nfs/dbraw/zinc/59/52/00/647595200.db2.gz GRDBASGZAFHGIJ-YOEHRIQHSA-N 2 0 321.421 2.196 20 5 DEBDRP C[N@H+](CCCCCC[NH3+])Cc1cc2c(cc1[N+](=O)[O-])OCCO2 ZINC000873231296 689190377 /nfs/dbraw/zinc/19/03/77/689190377.db2.gz DCAGGINGDQLUJU-UHFFFAOYSA-N 2 0 323.393 2.317 20 5 DEBDRP CC(C)C[N@H+](CCn1cc([N+](=O)[O-])cn1)CC1CC[NH+](C)CC1 ZINC000879704045 690710626 /nfs/dbraw/zinc/71/06/26/690710626.db2.gz IWQCYELXISITMO-UHFFFAOYSA-N 2 0 323.441 2.091 20 5 DEBDRP CCO[C@H](CN[C@@H]1CCc2c1cccc2[N+](=O)[O-])C[NH+](C)C ZINC000926961643 693536126 /nfs/dbraw/zinc/53/61/26/693536126.db2.gz PQIUZOWEMDYFNC-IUODEOHRSA-N 2 0 307.394 2.138 20 5 DEBDRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CC[C@@H](C[N+](=O)[O-])C1 ZINC001168990269 785007215 /nfs/dbraw/zinc/00/72/15/785007215.db2.gz ZMVDVXYTFAMTGG-GDBMZVCRSA-N 2 0 321.421 2.162 20 5 DEBDRP C[NH+]1CCN(c2cc[nH+]cc2Nc2ccccc2[N+](=O)[O-])CC1 ZINC001206157835 800481221 /nfs/dbraw/zinc/48/12/21/800481221.db2.gz FPSJDTCQIWXKFD-UHFFFAOYSA-N 2 0 313.361 2.485 20 5 DEBDRP CC1(C)C[N@H+](Cc2ccccc2)C[C@H](COCC[N+](C)(C)C)O1 ZINC001224776207 802902336 /nfs/dbraw/zinc/90/23/36/802902336.db2.gz SRYQDNTZPVSAAU-GOSISDBHSA-N 2 0 321.485 2.389 20 5 DEBDRP CCC(CC)(C[NH3+])C[N@@H+]1CC[C@@H](Nc2ccc([N+](=O)[O-])cn2)C1 ZINC001577050761 1066753427 /nfs/dbraw/zinc/75/34/27/1066753427.db2.gz CNRPKANQYTYGCX-CYBMUJFWSA-N 2 0 321.425 2.241 20 5 DEBDRP Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC001579877685 1067443693 /nfs/dbraw/zinc/44/36/93/1067443693.db2.gz YRUZPJBNKXDTRJ-HNNXBMFYSA-N 2 0 317.393 2.170 20 5 DEBDRP CC[NH+]1CCC(C[NH2+][C@@](C)(CO)c2cccc([N+](=O)[O-])c2)CC1 ZINC001665450985 1081030991 /nfs/dbraw/zinc/03/09/91/1081030991.db2.gz YQASHOOKICWNEP-KRWDZBQOSA-N 2 0 321.421 2.124 20 5 DEBDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1cccc([N+](=O)[O-])c1 ZINC000173405666 198210995 /nfs/dbraw/zinc/21/09/95/198210995.db2.gz UDJNMMOPYQEWQA-RHSMWYFYSA-N 2 0 321.421 2.482 20 5 DEBDRP O=[N+]([O-])c1ccc(OC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346982221 146174562 /nfs/dbraw/zinc/17/45/62/146174562.db2.gz MVRFWKOOJYZBPW-AWEZNQCLSA-N 2 0 319.405 2.438 20 5 DEBDRP O=[N+]([O-])c1cccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000359227423 147286186 /nfs/dbraw/zinc/28/61/86/147286186.db2.gz WHQHJCSHBSXUBV-UHFFFAOYSA-N 2 0 318.421 2.107 20 5 DEBDRP Cc1c(C[NH+]2CCC(OCCC[NH3+])CC2)cccc1[N+](=O)[O-] ZINC000336855849 403930098 /nfs/dbraw/zinc/93/00/98/403930098.db2.gz ZNDIMUJSENDJAA-UHFFFAOYSA-N 2 0 307.394 2.233 20 5 DEBDRP Cc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1[N+](=O)[O-] ZINC000290212445 404083289 /nfs/dbraw/zinc/08/32/89/404083289.db2.gz QSYHAKZCJRDCOR-UHFFFAOYSA-N 2 0 322.453 2.219 20 5 DEBDRP C[C@H]1C[C@@H](C[NH+]2CCN(c3ccccc3[N+](=O)[O-])CC2)CC[NH2+]1 ZINC000414678433 404706936 /nfs/dbraw/zinc/70/69/36/404706936.db2.gz XWSNPHNFPXXUAD-GJZGRUSLSA-N 2 0 318.421 2.105 20 5 DEBDRP O=[N+]([O-])c1ccc(OCC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338414 405325232 /nfs/dbraw/zinc/32/52/32/405325232.db2.gz XYFFOPRECPGUEO-GJZGRUSLSA-N 2 0 319.405 2.295 20 5 DEBDRP C[C@H](CC(=O)Nc1ccc([N+](=O)[O-])cc1)[NH2+][C@@H](C)CCC[NH3+] ZINC000423469227 533686058 /nfs/dbraw/zinc/68/60/58/533686058.db2.gz YSDJYDKGVUFOPF-NWDGAFQWSA-N 2 0 308.382 2.029 20 5 DEBDRP C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccc([N+](=O)[O-])c2)[C@@H]1CC[NH3+] ZINC000923389263 637156413 /nfs/dbraw/zinc/15/64/13/637156413.db2.gz USLVYSWEYORPLG-DAXOMENPSA-N 2 0 307.394 2.078 20 5 DEBDRP O=[N+]([O-])CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000905207801 643831324 /nfs/dbraw/zinc/83/13/24/643831324.db2.gz IUQCTCJNUVJLME-BRWVUGGUSA-N 2 0 303.406 2.153 20 5 DEBDRP C[C@H](C[NH2+]C[C@@H](O)c1cccc([N+](=O)[O-])c1)C[NH+]1CCCCC1 ZINC000818968971 647552492 /nfs/dbraw/zinc/55/24/92/647552492.db2.gz HZHPRYXJELDLPD-RHSMWYFYSA-N 2 0 321.421 2.340 20 5 DEBDRP C[NH+](C)C1CCC([NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)CC1 ZINC000819375823 647646709 /nfs/dbraw/zinc/64/67/09/647646709.db2.gz SZLXMXOSVQGRBU-XUJLQICISA-N 2 0 307.394 2.091 20 5 DEBDRP C[C@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873271113 689199533 /nfs/dbraw/zinc/19/95/33/689199533.db2.gz DUIDVUXAAAKCDU-AEGPPILISA-N 2 0 321.425 2.253 20 5 DEBDRP O=[N+]([O-])c1cccc([C@H](O)C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC001335398316 1150406678 /nfs/dbraw/zinc/40/66/78/1150406678.db2.gz SQOSOFLUCFPCEZ-BRWVUGGUSA-N 2 0 319.405 2.235 20 5 DEBDRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[C@@H](C[N+](=O)[O-])C2)cc1 ZINC001168967613 784990295 /nfs/dbraw/zinc/99/02/95/784990295.db2.gz RHAAJHXFBDGYCG-CVEARBPZSA-N 2 0 321.421 2.162 20 5 DEBDRP O=[N+]([O-])C[C@@H]1CC[C@H]([NH+]2CCC([NH+]3CCC(F)CC3)CC2)C1 ZINC001169034240 785011170 /nfs/dbraw/zinc/01/11/70/785011170.db2.gz GHQKQQVGWLEGNP-CJNGLKHVSA-N 2 0 313.417 2.330 20 5 DEBDRP COc1c(O)ccc(C[NH2+]CCC2CC[NH+](C)CC2)c1[N+](=O)[O-] ZINC001119943975 795376785 /nfs/dbraw/zinc/37/67/85/795376785.db2.gz XXDODFOWMWUSDM-UHFFFAOYSA-N 2 0 323.393 2.131 20 5 DEBDRP O=[N+]([O-])c1ccn([C@@H]2CCCC[C@H]2[NH2+]CCC2CC[NH2+]CC2)n1 ZINC000593322506 358054798 /nfs/dbraw/zinc/05/47/98/358054798.db2.gz NTZLPJHGZIOYHM-HUUCEWRRSA-N 2 0 321.425 2.254 20 5 DEBDRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1cccc([N+](=O)[O-])c1)C2 ZINC000593735003 358133606 /nfs/dbraw/zinc/13/36/06/358133606.db2.gz TUILBUKCQQCLJD-BBRMVZONSA-N 2 0 305.378 2.034 20 5 DEBDRP C[C@@H]1C[N@H+](CCC[NH2+]CCc2ccc([N+](=O)[O-])cc2)CCCO1 ZINC000602633705 360469356 /nfs/dbraw/zinc/46/93/56/360469356.db2.gz NYVLLVDBXYICCU-OAHLLOKOSA-N 2 0 321.421 2.228 20 5 DEBDRP Cc1ncc([N+](=O)[O-])n1CC[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603119683 360707912 /nfs/dbraw/zinc/70/79/12/360707912.db2.gz KPBIZVYMURBGKV-UHFFFAOYSA-N 2 0 323.441 2.298 20 5 DEBDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCOc1ccc([N+](=O)[O-])cc1 ZINC000540173291 285111473 /nfs/dbraw/zinc/11/14/73/285111473.db2.gz CCXLFGQWGWZZPM-IOASZLSFSA-N 2 0 307.394 2.292 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262079576 145259792 /nfs/dbraw/zinc/25/97/92/145259792.db2.gz HAOUTEMFZXTNJH-CQDKDKBSSA-N 2 0 305.378 2.163 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337820828 404261262 /nfs/dbraw/zinc/26/12/62/404261262.db2.gz UGRDERNPNZQKPA-KGLIPLIRSA-N 2 0 305.378 2.320 20 5 DEBDRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cc([N+](=O)[O-])ccc2OC(F)F)C1 ZINC000415029599 404790940 /nfs/dbraw/zinc/79/09/40/404790940.db2.gz DZCQOYPEXREPRH-ONGXEEELSA-N 2 0 315.320 2.413 20 5 DEBDRP C[C@@H](c1cccc([N+](=O)[O-])c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420331098 405321916 /nfs/dbraw/zinc/32/19/16/405321916.db2.gz QPCUGOJONOOBLQ-ZFWWWQNUSA-N 2 0 319.405 2.343 20 5 DEBDRP O=[N+]([O-])c1cccc(OCC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332246 405322497 /nfs/dbraw/zinc/32/24/97/405322497.db2.gz RRPGZOZAHDLAOO-CABCVRRESA-N 2 0 319.405 2.295 20 5 DEBDRP C[C@]1(C[NH2+][C@H]2CCCC[C@@H]2n2ccc([N+](=O)[O-])n2)CCC[NH2+]C1 ZINC000423344736 280159254 /nfs/dbraw/zinc/15/92/54/280159254.db2.gz ONCBBLVSPWZIHZ-DZKIICNBSA-N 2 0 321.425 2.254 20 5 DEBDRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc([N+](=O)[O-])cc2)CC1 ZINC000776579141 642187195 /nfs/dbraw/zinc/18/71/95/642187195.db2.gz KGKQFVXVJWPJKP-QGZVFWFLSA-N 2 0 321.421 2.292 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000843356274 650956509 /nfs/dbraw/zinc/95/65/09/650956509.db2.gz LMTFEDXUDNZWHV-UHFFFAOYSA-N 2 0 318.421 2.107 20 5 DEBDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)c2ccc([N+](=O)[O-])cc2)C1 ZINC000819133355 647589883 /nfs/dbraw/zinc/58/98/83/647589883.db2.gz OOQRZMUFKVDIBZ-FVQBIDKESA-N 2 0 307.394 2.091 20 5 DEBDRP C[C@@H]1C[N@@H+](Cc2ccc(CN(C)CC[N+](=O)[O-])cc2)C[C@H](C)O1 ZINC000930861190 694256825 /nfs/dbraw/zinc/25/68/25/694256825.db2.gz AHVGXHXELBBKEM-GASCZTMLSA-N 2 0 321.421 2.004 20 5 DEBDRP Cc1c(C[NH2+]CCN2CCC([NH+](C)C)CC2)cccc1[N+](=O)[O-] ZINC000873069363 689153389 /nfs/dbraw/zinc/15/33/89/689153389.db2.gz FACHVIKUHZAJFC-UHFFFAOYSA-N 2 0 320.437 2.019 20 5 DEBDRP CC[NH+](CC)CC[C@H](CO)NCc1cccc([N+](=O)[O-])c1C ZINC000883160395 691444191 /nfs/dbraw/zinc/44/41/91/691444191.db2.gz OLYQPKBVVTXHBU-OAHLLOKOSA-N 2 0 309.410 2.086 20 5 DEBDRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccnc1[N+](=O)[O-])CC2 ZINC000886305924 692050229 /nfs/dbraw/zinc/05/02/29/692050229.db2.gz ULGPTTCXJHFMAR-UHFFFAOYSA-N 2 0 304.394 2.298 20 5 DEBDRP [NH3+]C1(c2ccccc2)CC[NH+]([C@@H]2CC[C@H](C[N+](=O)[O-])C2)CC1 ZINC001168997506 784996990 /nfs/dbraw/zinc/99/69/90/784996990.db2.gz CUDHDXLRDFBSCR-GOEBONIOSA-N 2 0 303.406 2.382 20 5 DEBDRP [NH3+]CCC[C@@H]([NH3+])Nc1ccc2c(ccc(Cl)c2[N+](=O)[O-])n1 ZINC001159786807 789679817 /nfs/dbraw/zinc/67/98/17/789679817.db2.gz KMUVTYKHRJXQOK-NSHDSACASA-N 2 0 309.757 2.232 20 5 DEBDRP COc1ccc([N+](=O)[O-])c(C[C@H](C)[NH2+]C2CC[NH2+]CC2)c1F ZINC001246072097 1140857216 /nfs/dbraw/zinc/85/72/16/1140857216.db2.gz FCUFZBUOCZQCPU-JTQLQIEISA-N 2 0 311.357 2.015 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246647151 1141021425 /nfs/dbraw/zinc/02/14/25/1141021425.db2.gz ZGYWTJBGKJXPQI-BHYGNILZSA-N 2 0 301.390 2.278 20 5 DEBDRP O=[N+]([O-])c1ccc2c(c1)CC[C@H]([N@@H+]1CC[C@@H]3[NH2+]CC[C@H]31)CC2 ZINC001246647152 1141021989 /nfs/dbraw/zinc/02/19/89/1141021989.db2.gz ZGYWTJBGKJXPQI-HYVNUMGLSA-N 2 0 301.390 2.278 20 5 DEBDRP O=[N+]([O-])c1ccccc1OCC[N@H+](C1CC1)C1CC[NH2+]CC1 ZINC000592471228 357882506 /nfs/dbraw/zinc/88/25/06/357882506.db2.gz NTFCEQZMCDZKTR-UHFFFAOYSA-N 2 0 305.378 2.190 20 5 DEBDRP O=[N+]([O-])c1ccccc1C[C@H]1CCC[C@@H]1[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415069830 285162774 /nfs/dbraw/zinc/16/27/74/285162774.db2.gz XPJMWFBNXQBHAF-ZJBDGZLFSA-N 2 0 301.390 2.113 20 5 DEBDRP COc1ccc([N+](=O)[O-])cc1CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262079583 145259916 /nfs/dbraw/zinc/25/99/16/145259916.db2.gz HAOUTEMFZXTNJH-GLQYFDAESA-N 2 0 305.378 2.163 20 5 DEBDRP C[NH2+]CC1CC[NH+](Cc2cc(OC)c(OC)cc2[N+](=O)[O-])CC1 ZINC000347166969 146204081 /nfs/dbraw/zinc/20/40/81/146204081.db2.gz LJRMOLJXGQCMRD-UHFFFAOYSA-N 2 0 323.393 2.043 20 5 DEBDRP Cc1c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cccc1[N+](=O)[O-] ZINC000127556323 401739824 /nfs/dbraw/zinc/73/98/24/401739824.db2.gz IZQSSTZAVCHAGK-HIFRSBDPSA-N 2 0 320.437 2.190 20 5 DEBDRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc([N+](=O)[O-])cc3)C[C@H]21 ZINC000342094234 404362217 /nfs/dbraw/zinc/36/22/17/404362217.db2.gz FCPFXOJZLLDNOA-DAXOMENPSA-N 2 0 305.378 2.033 20 5 DEBDRP CCOc1ccc([N+](=O)[O-])cc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770535 404730036 /nfs/dbraw/zinc/73/00/36/404730036.db2.gz OZZAJVNWHCVHBV-OKILXGFUSA-N 2 0 319.405 2.425 20 5 DEBDRP C[C@@H](CC(=O)Nc1cccc([N+](=O)[O-])c1)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414956248 404775419 /nfs/dbraw/zinc/77/54/19/404775419.db2.gz VBYAHBJUGGXLME-MBNYWOFBSA-N 2 0 320.393 2.042 20 5 DEBDRP C[C@H]1CN(CCc2ncc(-c3cccc([N+](=O)[O-])c3)o2)C[C@H]1[NH3+] ZINC000420367336 405333760 /nfs/dbraw/zinc/33/37/60/405333760.db2.gz JYAVBNVHEKGHNM-SMDDNHRTSA-N 2 0 316.361 2.071 20 5 DEBDRP C[C@@H](CCC[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc([N+](=O)[O-])cc1 ZINC000423469228 405815346 /nfs/dbraw/zinc/81/53/46/405815346.db2.gz YSDJYDKGVUFOPF-RYUDHWBXSA-N 2 0 308.382 2.029 20 5 DEBDRP COc1cc(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c([N+](=O)[O-])cc1O ZINC000459722439 406019651 /nfs/dbraw/zinc/01/96/51/406019651.db2.gz BJNBVWCOSBPIPB-LBPRGKRZSA-N 2 0 323.393 2.131 20 5 DEBDRP Cc1ccc([N+](=O)[O-])cc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000531976445 406030885 /nfs/dbraw/zinc/03/08/85/406030885.db2.gz GQCXUVDVIZCDDB-ZDUSSCGKSA-N 2 0 307.394 2.011 20 5 DEBDRP [NH3+]C1CCC([NH2+][C@@H]2CCCC[C@H]2n2ccc([N+](=O)[O-])n2)CC1 ZINC000423234833 295212398 /nfs/dbraw/zinc/21/23/98/295212398.db2.gz QNCMSBZOLBSCRH-NWINJMCUSA-N 2 0 307.398 2.135 20 5 DEBDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc([N+](=O)[O-])c1 ZINC000160149843 525445418 /nfs/dbraw/zinc/44/54/18/525445418.db2.gz HMXLTAYVCQOCRC-CQSZACIVSA-N 2 0 320.437 2.271 20 5 DEBDRP CC[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1cccc([N+](=O)[O-])c1 ZINC000923378823 637147506 /nfs/dbraw/zinc/14/75/06/637147506.db2.gz NCJGQRKTRGEEQW-GJZGRUSLSA-N 2 0 305.378 2.014 20 5 DEBDRP C[C@@H](c1ccccc1[N+](=O)[O-])[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449712 637188294 /nfs/dbraw/zinc/18/82/94/637188294.db2.gz QEEGWVSXQKTSBC-UONOGXRCSA-N 2 0 319.405 2.486 20 5 DEBDRP O=[N+]([O-])c1ccc(N2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000841055034 650415536 /nfs/dbraw/zinc/41/55/36/650415536.db2.gz KSCQZQCTQZLXKI-CQSZACIVSA-N 2 0 318.421 2.295 20 5 DEBDRP COc1cc(C[N@@H+]2CC[C@H](C[NH3+])[C@H](C)C2)c([N+](=O)[O-])cc1OC ZINC000904411237 643661879 /nfs/dbraw/zinc/66/18/79/643661879.db2.gz KFYTXYHGWZXHRH-VXGBXAGGSA-N 2 0 323.393 2.029 20 5 DEBDRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)c2cccc([N+](=O)[O-])c2)C1 ZINC000818984204 647557650 /nfs/dbraw/zinc/55/76/50/647557650.db2.gz ANRBDLOREQZVAU-PBHICJAKSA-N 2 0 321.421 2.338 20 5 DEBDRP CC(C)(C[NH2+]C[C@@H](O)c1ccc([N+](=O)[O-])cc1)C[NH+]1CCCC1 ZINC000819260177 647620011 /nfs/dbraw/zinc/62/00/11/647620011.db2.gz PQRWTBPMDKGDPH-MRXNPFEDSA-N 2 0 321.421 2.340 20 5 DEBDRP CN(C(=O)C[N@H+](C)CCCCCC[NH3+])c1ccc([N+](=O)[O-])cc1 ZINC000872154884 688939812 /nfs/dbraw/zinc/93/98/12/688939812.db2.gz DFIXJFYBLSLBKE-UHFFFAOYSA-N 2 0 322.409 2.009 20 5 DEBDRP C[C@@H]([NH2+][C@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1)C1CC[NH2+]CC1 ZINC000873268482 689198813 /nfs/dbraw/zinc/19/88/13/689198813.db2.gz DUIDVUXAAAKCDU-VHDGCEQUSA-N 2 0 321.425 2.253 20 5 DEBDRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCCC[C@H]1n1ccc([N+](=O)[O-])n1 ZINC000925803543 693344730 /nfs/dbraw/zinc/34/47/30/693344730.db2.gz QPMXEGPDHZQBQI-KBUPBQIOSA-N 2 0 321.425 2.110 20 5 DEBDRP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc([N+](=O)[O-])c1 ZINC000925848603 693352745 /nfs/dbraw/zinc/35/27/45/693352745.db2.gz IYYHZNSPJNXCRU-OAHLLOKOSA-N 2 0 320.437 2.321 20 5 DEBDRP