smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CC(=O)O[C@H](C)[C@H]1C(=O)N2C(C(=O)OCc3ccc([N+](=O)[O-])cc3)=CS[C@@H]12 73400194 FOAOLXCEEMYIPI-OELKAKTESA-N 392.389 1.962 5 1 GDBF Cn1c(=O)n(O)c(=O)c2cc(-c3cn(Cc4ccc([N+](=O)[O-])cc4)nn3)ccc21 1772612465 GBLFGQHNDUQXFD-UHFFFAOYSA-N 394.347 1.153 5 1 GDBF O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1cn(-c2ccccc2)c(=O)[nH]c1=O 26293034 SLKQHGRUGHPJFC-UHFFFAOYSA-N 378.300 1.235 5 1 GDBF COC(=O)C1=C(C)N2CCO[C@@]2(C)[C@@H](C(=O)OC)[C@@H]1c1cccc([N+](=O)[O-])c1 95560460 HCGSYPRSCGXAIW-MDZRGWNJSA-N 390.392 1.977 5 1 GDBF O=[N+]([O-])c1cn2c(n1)OC[C@@H](N[C@@H](CO)c1ccc(OC(F)(F)F)cc1)C2 72180036 LJDDAMIHUNACNT-JQWIXIFHSA-N 388.302 1.774 5 1 GDBF CC(C)[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN 82082241 OZADSQGIJFDYJN-AWEZNQCLSA-N 392.437 1.975 5 1 GDBF CCN1CCN(Cc2nc3ncc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2)CC1 169302601 VBPKFKYRCDFDHX-UHFFFAOYSA-N 394.435 1.826 5 1 GDBF O=C1CCCN1CCC/N=c1/c([N+](=O)[O-])nn(-c2ccc(Cl)cc2)n1O 13152975 LBCDJONGTIHIQZ-VKAVYKQESA-N 380.792 1.386 5 1 GDBF O=C1NNC=C([N+](=O)[O-])[C@]12c1ccccc1C[C@H]1CN(c3ccccc3)CCN12 962629000 DKEUHEHOWFCLQU-LAUBAEHRSA-N 391.431 1.381 5 1 GDBF COC(=O)[C@@]1(c2ccc([N+](=O)[O-])cc2)C[C@@H]1CN1CCN(c2ncccn2)CC1 28634798 CSVAQHRLHGGGMI-OXQOHEQNSA-N 397.435 1.638 5 1 GDBF CCS(=O)(=O)CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719461 FWERPCVWYLUHSA-ZIAGYGMSSA-N 397.409 1.414 5 1 GDBF CS(=O)(=O)Nc1cccc(-n2c3nc(=O)[nH]c(=O)c-3cc3ccccc32)c1 96282692 VEXGASXJDARWTC-UHFFFAOYSA-N 382.401 1.550 5 1 GDBF Cc1c2cc[n+]([C@@H]3OC[C@@H](O)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 38576090 BPVBTSVRULALAY-KDXIVRHGSA-O 395.435 1.696 5 1 GDBF CCOC(=O)c1nc2c(O)nc3cc([N+](=O)[O-])c(-n4ccc(C=O)c4)cc3n2n1 13532613 UYROZPTZUFKNPE-UHFFFAOYSA-N 396.319 1.671 5 1 GDBF N[C@@H](CCc1nc2ccc(CCO)cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271022 XDBSVWVBKVPSRX-HNNXBMFYSA-N 383.408 1.905 5 1 GDBF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4049215 BHRCRPFXHJUZHD-AEFFLSMTSA-N 399.359 1.524 5 1 GDBF O=C(Cn1cc([N+](=O)[O-])nc1[N+](=O)[O-])N1CCN(c2ccc(F)cc2)CC1 6444859 BFJDFJCLKQUKAW-UHFFFAOYSA-N 378.320 1.187 5 1 GDBF Cc1ncc([N+](=O)[O-])n1CCNC(=O)CCCCCn1ccnc1[N+](=O)[O-] 12971187 WRXSMKZZMUUQDT-UHFFFAOYSA-N 379.377 1.581 5 1 GDBF CN(C)S(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270016 HNJCKHJEQRYBDP-AWEZNQCLSA-N 389.437 1.964 5 1 GDBF O=C1C[C@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc([N+](=O)[O-])cc1 13651443 QEMVHCKXIHCYIK-QGZVFWFLSA-N 387.373 1.041 5 1 GDBF CCOC(=O)C1=C(C)NC(=O)N(CCC(N)=O)[C@@H]1c1cccc([N+](=O)[O-])c1 1772656686 PUJADXSDBUCQPL-OAHLLOKOSA-N 376.369 1.374 5 1 GDBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN(C)C 82083958 MYAYZTKRGHKGTE-NSHDSACASA-N 392.437 1.941 5 1 GDBF N[C@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F 95552462 XGHASKQZUALAOL-AWEZNQCLSA-N 379.291 1.788 5 1 GDBF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 195427182 MQZSVWVJONYPDK-SKNMWMDOSA-N 384.344 1.128 5 1 GDBF O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]1C(=O)Nc1ccc(F)cc1 1772593071 FCAGWSULTLQWMF-ZDUSSCGKSA-N 386.295 1.572 5 1 GDBF Cc1c2cc[n+]([C@H]3O[C@H](CO)[C@@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 28755913 PKNVFFTUOHPWON-GFRNBQLOSA-O 395.435 1.696 5 1 GDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2c(O)nc(S)nc2[nH]1 587118507 QYAXUQDKMZAIGM-UHFFFAOYSA-N 375.292 1.827 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc3c(cc2[nH]1)OCO3 587271842 IARLTPNCLAEZRD-GJZGRUSLSA-N 386.320 1.233 5 1 GDBF CCN(C)C(=O)c1nn(CC)c(=O)c2nn(-c3cccc([N+](=O)[O-])c3)c(C)c12 49070739 QBUSVGVFUBJUQU-UHFFFAOYSA-N 384.396 1.911 5 1 GDBF CCS(=O)(=O)C[C@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28015351 OVADDGXJGBLCHW-LBPRGKRZSA-N 384.332 1.738 5 1 GDBF CC(=O)NCCNc1ncc(C(=O)NCC2CC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135452 OUEYIZIUYPWUDI-UHFFFAOYSA-N 398.423 1.740 5 1 GDBF O=C(O)Cn1c(=O)nc2n(-c3ccc(Cl)cc3)c3ccccc3nc-2c1=O 13755546 HEZUZUXEXVLWDU-UHFFFAOYSA-N 382.763 1.785 5 1 GDBF CCOC(=O)C1=C(C)NC(=O)N(CCC(N)=O)[C@H]1c1cccc([N+](=O)[O-])c1 1772656685 PUJADXSDBUCQPL-HNNXBMFYSA-N 376.369 1.374 5 1 GDBF Cc1ncc(Cn2cc(COc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])nn2)c(N)n1 82152455 LRDPADXCVWMULC-UHFFFAOYSA-N 386.328 1.402 5 1 GDBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN(C)C 82083653 SEVBUXUODZNKEY-NSHDSACASA-N 392.437 1.941 5 1 GDBF CN1C(=O)[C@@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21 28347519 AWUASRQQAQTHGV-ZFVVBOAOSA-N 377.356 1.880 5 1 GDBF O=C(O)c1ccc(S(=O)(=O)N[C@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 13816054 ZHSMDLPSBGXPQW-CQSZACIVSA-N 394.361 1.267 5 1 GDBF O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O 299819954 GMEUQYDHXPCIHT-SECBINFHSA-N 376.300 1.005 5 1 GDBF Cc1ncc([N+](=O)[O-])n1-c1ccnc(NS(=O)(=O)c2ccc(N)cc2)n1 1911577571 WYKBEGLBSQAFQA-UHFFFAOYSA-N 375.370 1.262 5 1 GDBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn4c5cnc(O)nc5oc2c34)C1 101748158 BBZBSGGMPXVEFP-ZETCQYMHSA-N 399.338 1.069 5 1 GDBF Cn1cc(-c2cnc3ccc4ccc(CS(N)(=O)=O)cc4c(=O)c3c2)cn1 95583590 PWDDBMQBJMTVPY-UHFFFAOYSA-N 380.429 1.937 5 1 GDBF O=c1c2ccc(OS(=O)(=O)O)cc2oc2cc(OS(=O)(=O)O)ccc12 95579476 SNXUDJGWJWHUKQ-UHFFFAOYSA-N 388.331 1.309 5 1 GDBF COc1ccccc1CN=c1c([N+](=O)[O-])nn(-c2ccc3c(c2)OCCO3)n1O 263592233 PGYWBJIKGQWDPY-UHFFFAOYSA-N 399.363 1.700 5 3 GDBF C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169295015 BTWSFRYVPCVJKN-JRRBAZMTSA-N 398.371 1.516 5 1 GDBF CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1cccc([N+](=O)[O-])c1 621471880 QNXKOZJCOGSMLR-KAECEXQPSA-N 386.364 1.646 5 1 GDBF Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 4008935 KOTBAVYTFOXIEH-WVMBZCLNSA-N 398.371 1.436 5 1 GDBF NCC(=O)NCC(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1Cl 26639338 CDNZKQZDZGOQET-UHFFFAOYSA-N 390.783 1.493 5 1 GDBF CCS(=O)(=O)CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719463 FWERPCVWYLUHSA-KGLIPLIRSA-N 397.409 1.414 5 1 GDBF C[C@H]1O[C@@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O 4185469 FLTTUASWHSPFOB-LGGLKNIISA-N 392.433 1.985 5 1 GDBF CCS(=O)(=O)CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 40763233 XEGVPNGBPGPLCK-CQSZACIVSA-N 397.409 1.201 5 1 GDBF COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@@H](O)CO)c2n1 45324872 AOAIQIGKMPIJRP-GFCCVEGCSA-N 376.844 1.800 5 1 GDBF C[n+]1c2ccccc2cc2c(CN[C@@H](CCCNC(=N)N)C(=O)O)cccc21 17193383 POYMNWJYVMWKKD-KRWDZBQOSA-O 380.472 1.624 5 1 GDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnnc(O)c2[nH]1 587265924 HYLRXADDANRHJH-KSBSHMNSSA-N 375.301 1.409 5 1 GDBF CCN(CCCc1ccc([N+](=O)[O-])cc1)CCNc1cc(=O)n(C)c(=O)n1C 26996874 JCSAPWGLUPINGN-UHFFFAOYSA-N 389.456 1.359 5 1 GDBF Nc1ncnc2c1ncn2[C@@H]1C[C@H](OCc2ccccc2[N+](=O)[O-])[C@@H](CO)O1 5733477 FBEHPMNCKUQUFR-MJBXVCDLSA-N 386.368 1.182 5 1 GDBF O=C(Cn1cnc(I)c1[N+](=O)[O-])NCc1cccnc1 28088537 BXNDKQKCKKBBDZ-UHFFFAOYSA-N 387.137 1.107 5 1 GDBF O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@@H](c4ccccc4)O[C@@H]3[C@H](O)[C@@H]2O)cc1 95921656 BGBDVEKOBCWPHZ-NYLIBXOJSA-N 389.360 1.535 5 1 GDBF C[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN(C)C 82083655 SEVBUXUODZNKEY-LLVKDONJSA-N 392.437 1.941 5 1 GDBF COCCNC(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1 82136139 AMMOZQZBNTUFHU-UHFFFAOYSA-N 375.385 1.486 5 1 GDBF O=[N+]([O-])c1nn(-c2ccc3c(c2)OCCO3)n(O)c1=NCc1ccc(F)cc1 263592222 DLYIGPIPFWDLLZ-UHFFFAOYSA-N 387.327 1.831 5 3 GDBF O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 1618810 GXDKEGKOGQTQBK-UHFFFAOYSA-N 379.350 1.210 5 1 GDBF CC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] 49792837 BZASEFCQVJQJFJ-ZAYFYUHKSA-N 398.415 1.661 5 1 GDBF CCOC(=O)C1=C(C)NC(CO)=C(C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 31490827 LWTWJBUKUVHABE-INIZCTEOSA-N 390.392 1.928 5 1 GDBF O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(Cl)sc2Cl)n1 299828017 GNHBZGBGPBOYOC-UHFFFAOYSA-N 386.242 1.923 5 1 GDBF COc1c(C(C)(C)[C@@H](O)CO)c(O)c2c(=O)c3cccc(O)c3oc2c1O 2356401578 JIZMIZKEQUJUSI-JTQLQIEISA-N 376.361 1.702 5 1 GDBF COC(=O)c1ccccc1OC[C@@H](O)CNCCNc1ccc([N+](=O)[O-])cn1 40632125 MWUOMAZZKNLKSM-AWEZNQCLSA-N 390.396 1.218 5 1 GDBF COc1cc(-c2ccc(C(F)(F)F)nc2)nn1C(=O)Cn1cnc([N+](=O)[O-])n1 587867801 BPNQLLMNXLPWHC-UHFFFAOYSA-N 397.273 1.813 5 1 GDBF CS(=O)(=O)Nc1ccc2ccc3ncc(N4CCOCC4)cc3c(=O)c2c1 101425554 NENQLFCGPDUKQZ-UHFFFAOYSA-N 385.445 1.956 5 1 GDBF N=C(N)NCCC[C@@H](NC(=O)c1c2ccccc2nc2ccccc12)C(=O)O 5848688 HEBPAPMKVPCMJW-MRXNPFEDSA-N 379.420 1.834 5 1 GDBF O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 103284944 SGKVYAKLLXHMSE-MRVPVSSYSA-N 379.379 1.794 5 1 GDBF O=C(O)[C@@H]1CC2(CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)SCCS2 103249723 HRYADIHXUSIUPC-NSHDSACASA-N 390.464 1.619 5 1 GDBF NC(=O)CNS(=O)(=O)c1cccc(-c2nc3cc([N+](=O)[O-])c(F)cc3[nH]2)c1 586936724 UMEYKZGVNBUUSN-UHFFFAOYSA-N 393.356 1.041 5 1 GDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 587266607 LPJZGFLCYVIWTL-SSDLBLMSSA-N 391.300 1.115 5 1 GDBF COc1ccccc1NC(=O)NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12 27549478 TZOSCVSNTDPJEE-UHFFFAOYSA-N 385.336 1.455 5 1 GDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587274928 WYBUZDNXAVTWNT-SNVBAGLBSA-N 378.414 1.722 5 1 GDBF CO[C@H]1[C@H](OC(=O)c2cccc3nc4ccccc4nc23)O[C@@H](C)[C@H](O)[C@H]1O 1772647381 DYDCQWDAMGFOOU-RLJJTGRQSA-N 384.388 1.421 5 1 GDBF O=C1c2ccccc2S(=O)(=O)N1C[C@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 1857569850 GNBGSOPUQVPRAT-CYBMUJFWSA-N 387.373 1.933 5 1 GDBF CC(=O)OC[C@H]1O[C@H](OC(C)C)C=C([C@H](O)c2ccc([N+](=O)[O-])cc2)[C@@H]1O 28656235 AKPLSKHMYGGVJT-XDNAFOTISA-N 381.381 1.629 5 1 GDBF CCN(C)c1ncc(C(=O)NCCNC(C)=O)c(-c2cccc([N+](=O)[O-])c2)n1 82136130 ZHUSFFFYEOWEEV-UHFFFAOYSA-N 386.412 1.374 5 1 GDBF Cc1onc(-c2nc3c(O)nc(N)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587080188 SDVBTWPBOJUPDL-UHFFFAOYSA-N 391.735 1.411 5 1 GDBF O=C1NC(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]1C(=O)Nc1ccc(F)cc1 1772593070 FCAGWSULTLQWMF-CYBMUJFWSA-N 386.295 1.572 5 1 GDBF CCOC(=O)[C@@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570671 HQHGIDISGGRWFJ-ZCFIWIBFSA-N 377.425 1.900 5 1 GDBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@@H](C)c1nc2c(O)nc(N)nc2[nH]1 587266148 YSKMDDKJMOUHJY-ZETCQYMHSA-N 388.340 1.900 5 1 GDBF Cn1cnc([N+](=O)[O-])c1S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])o2)s1 1857574420 HCDCRRAFNGJXIU-UHFFFAOYSA-N 386.327 1.181 5 1 GDBF C[n+]1c2ccccc2cc2c(CN[C@H](CCCNC(=N)N)C(=O)O)cccc21 73369928 POYMNWJYVMWKKD-QGZVFWFLSA-O 380.472 1.624 5 1 GDBF CN(Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1)S(=O)(=O)c1cccnc1 586929652 ZVVNWDRYGAEDSL-UHFFFAOYSA-N 392.353 1.595 5 1 GDBF C[C@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 587267116 UGSPMEUWCWTGLE-QUBYGPBYSA-N 375.301 1.409 5 1 GDBF COc1c(O)cc2c(=O)oc3c(O)c(OS(=O)(=O)O)cc4c(=O)oc1c2c34 15150547 WDSQQUKUBNMNRX-UHFFFAOYSA-N 396.285 1.092 5 1 GDBF biogenic COC(=O)C1=C2Nc3c(OC)cccc3[C@@]23CC[N+]2([O-])C[C@@H]([C@H](C)O)[C@@H]1C[C@@H]32 85663269 HOIKOKOXBRLRBT-YCPQDENBSA-N 386.448 1.903 5 1 GDBF COc1cccc(S(=O)(=O)N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)c1 653798468 XYELANVRRVYJFC-UHFFFAOYSA-N 381.410 1.703 5 1 GDBF COC(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2n1 586919965 AWEXAWOBQNCLFG-UHFFFAOYSA-N 376.350 1.627 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O 40403684 FUDASQUKIIBOEB-BDXSIMOUSA-N 393.440 1.335 5 1 GDBF O=C(NCC(=O)N1CCCNCC1)c1csc(-c2ccccc2[N+](=O)[O-])n1 82084897 WURNXXUKSYEYOI-UHFFFAOYSA-N 389.437 1.270 5 1 GDBF C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1O 45370297 XTFVLFGRXGBQCC-XSAWRDGJSA-N 382.460 1.712 5 1 GDBF CCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])[C@@H](C)C1 377813066 AUBYQCHTDWCONQ-JTQLQIEISA-N 399.340 1.158 5 1 GDBF CC(C)CC(=O)N[C@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587202115 BXRMAFJHNLCLEV-SNVBAGLBSA-N 378.345 1.458 5 1 GDBF CCOc1cc(C=O)cc([N+](=O)[O-])c1O[C@H](C)c1nc2c(O)nc(N)nc2[nH]1 587266143 YSKMDDKJMOUHJY-SSDOTTSWSA-N 388.340 1.900 5 1 GDBF O=C(N[C@H](Cc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)O)OCc1ccccc1 587206771 NYUFBWRXSUNDJX-LLVKDONJSA-N 385.336 1.788 5 1 GDBF CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@@+]13[O-] 253776869 BZASEFCQVJQJFJ-SQGLHSCGSA-N 398.415 1.661 5 1 GDBF CS(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586920019 DCPNAVXJAOQGTE-UHFFFAOYSA-N 395.418 1.849 5 1 GDBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC 5389950 AFJPGVUCVDCFPM-HUOFZQLVSA-N 385.484 1.389 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc3cn[nH]c3cc2[nH]1 587272559 NZURLMOMABGFCV-GJZGRUSLSA-N 382.336 1.380 5 1 GDBF CCOC(=O)C(CC(=O)c1cccc([N+](=O)[O-])c1)(NC(C)=O)C(=O)OCC 26652340 XVJIQQOZNTYLID-UHFFFAOYSA-N 380.353 1.169 5 1 GDBF CC(C)[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN 82082386 FJHHJNLXTVYGTF-AWEZNQCLSA-N 392.437 1.975 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccnc(Cl)c2[nH]1 587272115 KDCSJLGSTLMIKX-RYUDHWBXSA-N 377.744 1.553 5 1 GDBF O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccc([N+](=O)[O-])cc2)N1 95582322 YETQTXNGWKLLEN-ZJUUUORDSA-N 388.321 1.394 5 1 GDBF Cc1cc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@@H]4C=C[C@]23O4)cc([N+](=O)[O-])c1 36383074 AIPJQKWAPHHTMA-JZFARQHMSA-N 394.405 1.216 5 3 GDBF COc1ccccc1N1CCN(C[C@@H](O)Cn2c([N+](=O)[O-])cnc2C)CC1 1772600437 JZJRVSVTXVNLEQ-OAHLLOKOSA-N 375.429 1.291 5 1 GDBF O=C1c2cc3c(cc2OCN1CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@@H]1O3 72174969 IQVIDJNDLODBGH-INIZCTEOSA-N 399.363 1.238 5 1 GDBF Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 195408490 KOTBAVYTFOXIEH-OSLDLMBLSA-N 398.371 1.436 5 1 GDBF N=c1[nH]c2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc-2c(Cl)[nH]1 587270946 UTMOYZNNCVRWBM-VIFPVBQESA-N 390.791 1.177 5 1 GDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(S(=O)(=O)O)cc3[nH]2)cc1 586920325 IKNQLYNPFPWVGU-UHFFFAOYSA-N 397.390 1.692 5 1 GDBF O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2[N+](=O)[O-])N1 95582486 MYWYRFNGXOEEQO-ZJUUUORDSA-N 388.321 1.394 5 1 GDBF O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1 1618811 YJJUZWQDDTWIBL-UHFFFAOYSA-N 379.350 1.210 5 1 GDBF O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1NS(=O)(=O)C(F)(F)F 3932777 CIZDPFHYIBIKFB-UHFFFAOYSA-N 382.232 1.606 5 1 GDBF CC1=C(c2ccc3nc(C[C@@H]4C(=O)C[C@@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 587264010 QCDVVXHNNRKELE-SWHYSGLUSA-N 397.435 1.979 5 1 GDBF O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(Sc2ccccc2)c1 4185217 XBMKODJDSTWVOB-VQHPVUNQSA-N 378.406 1.597 5 1 GDBF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1 103284946 SGKVYAKLLXHMSE-QMMMGPOBSA-N 379.379 1.794 5 1 GDBF CN(C(=O)CNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)c1ccccc1 95603200 FNJXBCFONRBCTC-UHFFFAOYSA-N 391.405 1.391 5 1 GDBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O 587649021 NYNCRTVQPPFATF-IAGOWNOFSA-N 398.423 1.880 5 1 GDBF COC(=O)[C@]1(c2ccc([N+](=O)[O-])cc2)C[C@@H]1CN1CCN(c2ncccn2)CC1 28634801 CSVAQHRLHGGGMI-UZLBHIALSA-N 397.435 1.638 5 1 GDBF O=C(Cn1cnc2ccc(Cl)cc2c1=O)NCc1ncc([N+](=O)[O-])s1 299822395 ACVCSPOUMGICOT-UHFFFAOYSA-N 379.785 1.731 5 1 GDBF Cn1cccc1C(=O)O[C@H]1C[C@H]2C[C@H](OC(=O)c3cccn3C)[C@@H](C1)[N+]2(C)[O-] 86049463 GMTPJCQCKXACMX-QBRXPDNCSA-N 387.436 1.994 5 1 GDBF O=[N+]([O-])c1ccc2nc(-c3nc(O)nc(O)c3I)[nH]c2c1 587181735 BAGHGQJMRUKTND-UHFFFAOYSA-N 399.104 1.944 5 1 GDBF O=[N+]([O-])c1cc(COc2nnnn2-c2ccccc2[N+](=O)[O-])cc([N+](=O)[O-])c1 169327939 FDIXWVGXMOXFLX-UHFFFAOYSA-N 387.268 1.966 5 1 GDBF CC(C)(C)C1CS(=O)(=O)C(c2cc([N+](=O)[O-])ccc2O)S(=O)(=O)C1 13733460 OVCYBRBLCLVYSC-UHFFFAOYSA-N 377.440 1.805 5 1 GDBF CC[S@](=O)CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719582 QIHKLWAIKTWSRN-BGPVNYDRSA-N 381.410 1.748 5 1 GDBF CC(=O)NCCNC(=O)c1cnc(N2CCCC2)nc1-c1cccc([N+](=O)[O-])c1 82135998 RTDHGQHZTORDKI-UHFFFAOYSA-N 398.423 1.518 5 1 GDBF COc1ccc([N+](=O)[O-])cc1-n1c(CN2CCNCC2)nc2ccccc2c1=O 72122909 BDDCLDRLILJZPQ-UHFFFAOYSA-N 395.419 1.708 5 1 GDBF O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 1857600170 WOCRMWFAXDVFSZ-ZDUSSCGKSA-N 387.373 1.933 5 1 GDBF C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@@](O)(C(C)C)[C@H](C)O)[C@@H]12 238785734 MTHHNSCIBYQVSB-SRUCPVDRSA-N 397.468 1.202 5 1 GDBF O=[N+]([O-])c1cccc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586941106 FWSBJSSCPJFOSQ-UHFFFAOYSA-N 390.377 1.721 5 1 GDBF CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@@+]13[O-] 253975350 MVVOGBRCQSCYJN-IROUTDFISA-O 397.451 1.793 5 1 GDBF Cn1nc([N+](=O)[O-])cc1C(=O)c1c(CO)oc2cc(Br)cnc12 587275433 ARTLZFPJZGYHDS-UHFFFAOYSA-N 381.142 1.955 5 1 GDBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O 587648320 CIWVKNMWTBBLSC-IRXDYDNUSA-N 398.423 1.880 5 1 GDBF COCCNc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1[N+](=O)[O-] 587266397 VPRSJZCVSFEGOK-UHFFFAOYSA-N 391.409 1.844 5 1 GDBF C[n+]1c2ccccc2c(C(=O)N[C@@H](CCCNC(=N)N)C(=O)O)c2ccccc21 5923221 LPMYDYCQOQXSLW-HNNXBMFYSA-O 394.455 1.264 5 1 GDBF OC[C@@H]1O[C@H](O)[C@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@H](O)[C@H]1O 58668313 VYLIXIBUUQECKY-YPWFZXRJSA-N 393.439 1.474 5 1 GDBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@]4(CO)C(=O)OC 238742294 AFJPGVUCVDCFPM-VJUSGHNVSA-N 385.484 1.389 5 1 GDBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 587266605 LPJZGFLCYVIWTL-CDUCUWFYSA-N 391.300 1.115 5 1 GDBF COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1=O 4845820 QOMRKBMSTBNJOO-YNHQPCIGSA-N 387.392 1.963 5 1 GDBF CCOC(=O)C(CC(=O)c1cccc([N+](=O)[O-])c1)(NC(=O)CC)C(=O)OCC 26652335 HWMHYUXRBFCARK-UHFFFAOYSA-N 394.380 1.559 5 1 GDBF CN(C)CCNC(=O)c1ccc(N(C)C)c2c(=O)c3cccc([N+](=O)[O-])c3[nH]c12 1772586246 KRHQUZFFKMECEW-UHFFFAOYSA-N 397.435 1.947 5 1 GDBF COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)[C@@H](O)[C@H](O)C(C)(C)O4 13397667 ZDUPGHPJVKHTEK-MJGOQNOKSA-N 387.388 1.677 5 1 GDBF endogenous,in-man O=C1N=c2c(Br)cc([N+](=O)[O-])cc2=C1c1[nH]c2ccccc2c1O 169722496 GMWNUOYYAIVEDR-UHFFFAOYSA-N 386.161 1.903 5 1 GDBF NS(=O)(=O)c1ccc(NC(=O)c2cccn3c(=O)c4ccccc4nc23)cc1 1620844 AHGBBGZQXYSBCC-UHFFFAOYSA-N 394.412 1.747 5 1 GDBF CC(=O)NC[C@@H]1OC(=O)N2c3ccc(-c4ccc([N+](=O)[O-])nc4)cc3OC[C@@H]12 73164996 JDPFGPAQTKVUTF-HOCLYGCPSA-N 384.348 1.879 5 1 GDBF Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1[N+](=O)[O-] 4008936 KOTBAVYTFOXIEH-GGNLRSJOSA-N 398.371 1.436 5 1 GDBF CC(C)[C@@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)OCCN 82082243 OZADSQGIJFDYJN-CQSZACIVSA-N 392.437 1.975 5 1 GDBF COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1nc2sccn2c1[N+](=O)[O-] 31901209 BFSNUBUISVVEOR-UHFFFAOYSA-N 392.393 1.885 5 1 GDBF COCCNC(=O)c1cnc(N2CCOCC2)nc1-c1cccc([N+](=O)[O-])c1 82136016 HSSZZXVYPCEIDJ-UHFFFAOYSA-N 387.396 1.265 5 1 GDBF OC[C@H]1O[C@@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O 26471115 VYLIXIBUUQECKY-UYOMMXDPSA-N 393.439 1.474 5 1 GDBF C/C=C(\C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@H](O)[C@H]12)C(C)C 238756005 IBJZSSCBLWOCEV-CXTZWKIHSA-N 397.468 1.202 5 1 GDBF Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@H](O)Cn1c([N+](=O)[O-])cnc1C 299825528 YSGCDTKLSKSERM-LBPRGKRZSA-N 386.364 1.482 5 1 GDBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O 587649023 NYNCRTVQPPFATF-SJORKVTESA-N 398.423 1.880 5 1 GDBF C[C@H]1CC(N=c2[nH]c3ccc([N+](=O)[O-])cc3[nH]c2=Nc2ccc(O)cc2)=NN1 1857566719 XEMNYCMGLRBGRK-JTQLQIEISA-N 379.380 1.938 5 1 GDBF O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2cc(Cl)c(Cl)s2)n1 299840638 VUTMGWFCFQXNQK-UHFFFAOYSA-N 386.242 1.923 5 1 GDBF COc1cc(OCc2nc3cccc(S(N)(=O)=O)c3[nH]2)ccc1[N+](=O)[O-] 587261790 IZFCPYRSYMTFOE-UHFFFAOYSA-N 378.366 1.706 5 1 GDBF C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 832715 BTWSFRYVPCVJKN-LYLMJZQMSA-N 398.371 1.516 5 1 GDBF C[N+](C)(C)CCCN1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1CCCN1[C@H]2c1ccc(C(=N)N)cc1 33360043 JCLUABDCGDTVPA-VJANTYMQSA-N 398.531 1.187 5 1 GDBF in-vitro CC[S@@](=O)CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 40566907 GLSZSQUYSPCBSW-PTFIGZPYSA-N 381.410 1.535 5 1 GDBF COc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1C 587272114 KAXGDUVQGJBGHF-HOTGVXAUSA-N 386.364 1.821 5 1 GDBF NS(=O)(=O)Cc1ccc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586929930 JIVWPHLFTKSOPQ-UHFFFAOYSA-N 377.338 1.835 5 1 GDBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC 4097926 AFJPGVUCVDCFPM-MLIPYVIESA-N 385.484 1.389 5 1 GDBF in-vitro O=C(NCc1ccco1)[C@H]1CCCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])C1 201440101 SKIAYTBMQFORJW-ZDUSSCGKSA-N 393.421 1.905 5 3 GDBF COc1cc(Cn2cc(CNC(=O)c3ccc([N+](=O)[O-])o3)nn2)ccc1F 103247638 KMCGGWVWAOHFBI-UHFFFAOYSA-N 375.316 1.905 5 1 GDBF COc1cc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2cc1F 587272121 KKHFXZYKQUTTHD-GJZGRUSLSA-N 390.327 1.652 5 1 GDBF COc1ccc(C(=O)c2c3ccc([N+](=O)[O-])cc3[n+]([O-])n2CCCC(N)=O)cc1 36383495 TVPLBFWAONEXRK-UHFFFAOYSA-N 398.375 1.688 5 3 GDBF CC[S@](=O)CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 40566908 GLSZSQUYSPCBSW-IYJVBRSBSA-N 381.410 1.535 5 1 GDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@@H]1C[N+](=O)[O-] 587262282 HDFAJFOITZUUFD-IJLUTSLNSA-N 394.453 1.474 5 1 GDBF CC(=O)Oc1ccc(-n2nc3c(=O)[nH]c4c([N+](=O)[O-])cccc4n3c2=O)cc1 13580751 PGCBALBTOACOHM-UHFFFAOYSA-N 381.304 1.160 5 1 GDBF COc1cc([N+](=O)[O-])ccc1NC(=O)CCN1C(=O)[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1=O 4845819 QOMRKBMSTBNJOO-QFBVAWSSSA-N 387.392 1.963 5 1 GDBF O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cccc2c1=O 299819957 GMEUQYDHXPCIHT-VIFPVBQESA-N 376.300 1.005 5 1 GDBF COCCOc1ccc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)cc1[N+](=O)[O-] 587264268 FQTGIUGFKBDZEX-UHFFFAOYSA-N 392.393 1.811 5 1 GDBF COc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2ccc3c(c2)OCO3)cc1 168538561 RDRJFNLJSWAUDE-UHFFFAOYSA-N 394.405 1.120 5 1 GDBF C[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 832714 GBVRGGHOJXRVAO-LYLMJZQMSA-N 398.371 1.516 5 1 GDBF CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)[C@H]2[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N12 29254109 ONEDESPSBFCVIB-GUTXKFCHSA-N 396.421 1.061 5 1 GDBF Cn1c2ccccc2c(=O)c2cccc(C(=O)N[C@@H](CCC(N)=O)C(=O)O)c21 5932651 GUTPPHJZEXNFQM-AWEZNQCLSA-N 381.388 1.140 5 1 GDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262759 HUWCYNYSQGTTAY-KBMXLJTQSA-N 385.468 1.975 5 1 GDBF O=[N+]([O-])c1cccc2nc(-c3nc(O)nc(O)c3I)[nH]c12 587182754 RWWXJPIQVAWLAX-UHFFFAOYSA-N 399.104 1.944 5 1 GDBF NS(=O)(=O)c1ccc(-n2cc(C(=O)O)c(-c3ccc([N+](=O)[O-])cc3)n2)cc1 71296394 MUSGUKZLVUYEHO-UHFFFAOYSA-N 388.361 1.793 5 1 GDBF COC(=O)c1cc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2cn1 586921163 ZXFWOUAKEKTHAG-UHFFFAOYSA-N 376.350 1.627 5 1 GDBF NC(=O)c1c(-c2ccc([N+](=O)[O-])cc2)nsc1NC(=O)N1CCCC1=O 145712460 NCOSUPYQFRQJTJ-UHFFFAOYSA-N 375.366 1.972 5 1 GDBF CC(=O)O[C@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] 33829466 BIPBWKRVOQYJMX-QGZVFWFLSA-N 386.320 1.805 5 1 GDBF CCOC(=O)[C@@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc([N+](=O)[O-])s1 39010519 NOOIKYOUJFXKIH-HNNXBMFYSA-N 396.381 1.264 5 1 GDBF CCC[C@@H]1C[C@H](C(=O)N[C@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 58486063 FUDPYSRYHXSDSL-UEILYKACSA-N 379.457 1.616 5 1 GDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@H](C(Cl)(CO)CO)O3 14689088 OYGSTYGNRLPAMK-OAHLLOKOSA-N 375.808 1.663 5 1 GDBF endogenous,in-man CC(C)(C)c1noc(-c2cc3c(cc2[N+](=O)[O-])OCO3)c1C(=O)NCCO 2483838 LTVBIOYAGGETIH-UHFFFAOYSA-N 377.353 1.998 5 1 GDBF O=[N+]([O-])c1cc(N[C@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc(Sc2ccccc2)c1 4185225 XBMKODJDSTWVOB-NCOADZHNSA-N 378.406 1.597 5 1 GDBF C[C@H](NC(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1)C(=O)N1CCNCC1 82083211 CALBZZVXFTYGSH-NSHDSACASA-N 389.437 1.268 5 1 GDBF C[C@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587274195 NZECWGNZPYTSQH-SNVBAGLBSA-N 378.414 1.722 5 1 GDBF C[N@+]1(CC2CC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5 253804920 HRLBITJBWAMBFC-ZLMYMKHBSA-O 383.468 1.063 5 1 GDBF O=C(NCCO)[C@@H]1C(c2ccccc2)=NO[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4049214 BHRCRPFXHJUZHD-SJLPKXTDSA-N 399.359 1.524 5 1 GDBF C/C=C1/C[N+]2([O-])CC[C@@]34c5ccccc5N[C@]32[C@H](O)C[C@@H]1[C@@]4(CO)C(=O)OC 238744399 GIGCGYPQRRCQFB-HSQDWNHPSA-N 386.448 1.257 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)ncc2[nH]1 587272246 LRDDKWZBCDYUEX-STQMWFEESA-N 377.744 1.553 5 1 GDBF NS(=O)(=O)c1cc(NC(=O)NCCc2ccccc2)c(O)c([N+](=O)[O-])c1 1857769342 LUEKHRJJNZEFMV-UHFFFAOYSA-N 380.382 1.312 5 1 GDBF CC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@H]4C5=[N+]([O-])c6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3C(=O)O 102041694 BZASEFCQVJQJFJ-HBBGSRMWSA-N 398.415 1.661 5 1 GDBF O=C(O)[C@H]1CSCN1c1nc2nonc2nc1Nc1ccc([N+](=O)[O-])cc1 82053410 DXVHWVKFZDFVJW-SECBINFHSA-N 389.353 1.629 5 1 GDBF CCOC(=O)[C@@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc([N+](=O)[O-])cc1 799511 LRQXDKAQYSRKPX-YKTARERQSA-N 393.392 1.761 5 1 GDBF CN1C(=O)[C@@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21 101010694 AWUASRQQAQTHGV-YYQUZTFQSA-N 377.356 1.880 5 1 GDBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@@H]1c1ncc([N+](=O)[O-])n1C 40862696 UUFLYGUVTJMYSE-OAHLLOKOSA-N 391.428 1.605 5 1 GDBF OC[C@@H]1O[C@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O 26471122 VYLIXIBUUQECKY-GIFBIUIXSA-N 393.439 1.474 5 1 GDBF COC(=O)c1c2nc3ccc(N(C)C)cc3oc-2c(O)c(=O)c1N1CCOCC1 653693464 VKNRDBPKLZRTOR-UHFFFAOYSA-N 399.403 1.688 5 1 GDBF C/C=C(\C)C(=O)O[C@@H]1CC[N@@+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 263614540 MTHHNSCIBYQVSB-ZTFVZYQTSA-N 397.468 1.202 5 1 GDBF in-vitro C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)N(C(=O)OC(C)(C)C)C1=O 1857580741 AAJJUKFANSGINO-SNVBAGLBSA-N 385.398 1.914 5 1 GDBF CN(CCc1ccc([N+](=O)[O-])cc1)c1nc(-c2ncncc2F)cc(=O)n1C 143436940 BIHANFBBEUOMIP-UHFFFAOYSA-N 384.371 1.964 5 1 GDBF CSc1ccc(S(=O)(=O)NCc2nc3cnncc3[nH]2)cc1[N+](=O)[O-] 586941859 XLUYWCKDYUQPIL-UHFFFAOYSA-N 380.411 1.462 5 1 GDBF CN(C)S(=O)(=O)CCc1nc2cc(Br)cc([N+](=O)[O-])c2[nH]1 586930144 GJMMZYMHLZWXSB-UHFFFAOYSA-N 377.220 1.668 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)cc(F)c2[nH]1 587272505 NBBJQEJOIHPTII-KBPBESRZSA-N 378.291 1.782 5 1 GDBF CC[S@@](=O)CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 40566909 GLSZSQUYSPCBSW-RXBISOJRSA-N 381.410 1.535 5 1 GDBF Cc1c2cc[n+]([C@@H]3OC[C@@H](O)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 40640274 BPVBTSVRULALAY-BRKWEVRTSA-O 395.435 1.696 5 1 GDBF Cc1c([N+](=O)[O-])c(C(F)(F)F)nn1Cc1nc2[nH]c(=N)[nH]c(Cl)c-2n1 587117092 GYDSNEOLPJZLGA-UHFFFAOYSA-N 376.686 1.851 5 1 GDBF O=C(CN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3)[C@@H]2C1=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 141649023 MQZSVWVJONYPDK-UDVXPWBQSA-N 384.344 1.128 5 1 GDBF Cc1cccc2cc3c(=O)n(CCN(C)C)cc(C(=O)NCCN(C)C)c3nc12 25999069 ZROKQJLWXIWMRR-UHFFFAOYSA-N 395.507 1.711 5 1 GDBF C[C@@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@@H](C)O1 28867992 KOTMUVMROGTSHI-NXEZZACHSA-N 388.380 1.951 5 1 GDBF O=[N+]([O-])c1cnc2[nH]c(CCNS(=O)(=O)c3ccc(Cl)nc3)nc2c1 586942601 OBVFBVWHOLSBBZ-UHFFFAOYSA-N 382.789 1.436 5 1 GDBF CSc1ccc(S(=O)(=O)NCc2nc3cncnc3[nH]2)cc1[N+](=O)[O-] 586942035 ZOJMYXSDUXWQGV-UHFFFAOYSA-N 380.411 1.462 5 1 GDBF Cc1cc2[nH]c(-c3cccc(S(=O)(=O)NCC(N)=O)c3)nc2cc1[N+](=O)[O-] 586935559 ILISRQIESWKQDY-UHFFFAOYSA-N 389.393 1.210 5 1 GDBF Cc1nnc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)cn12 653850995 PECIRAVSCZVZJT-UHFFFAOYSA-N 395.423 1.950 5 1 GDBF COc1cc(OC)c2c(=O)c3c(O)cccc3oc2c1[C@@H](CO)[C@@H](O)CO 2356621102 OYAFTBOJOHDCMA-ONGXEEELSA-N 376.361 1.098 5 1 GDBF O=C(N[C@H](Cc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)O)OCc1ccccc1 587208125 ZHPMOLHXAFIXEH-CYBMUJFWSA-N 385.336 1.788 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(F)c(F)cc2[nH]1 587273394 SOTWRUDMBWTACH-KBPBESRZSA-N 378.291 1.782 5 1 GDBF COc1n[nH]c(C(=O)c2c(CO)oc3cc(Br)cnc23)c1[N+](=O)[O-] 587276363 NALJUSOCDSFVAX-UHFFFAOYSA-N 397.141 1.954 5 1 GDBF NS(=O)(=O)c1cccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c12 587269745 NSOTWSLQKJMBDZ-UHFFFAOYSA-N 385.365 1.366 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cncc(Cl)c2[nH]1 587273283 RGINVSPSKVORCB-STQMWFEESA-N 377.744 1.553 5 1 GDBF CCCc1nc2nc(C)c(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)n2[nH]1 104396302 PYIHEYFEXBANER-UHFFFAOYSA-N 392.397 1.388 5 3 GDBF Cc1c2cc[n+]([C@@H]3O[C@@H](CO)[C@H](O)[C@@H]3O)cc2c(C)c2c1[nH]c1ccccc12 48999449 KVCRXNIYXVJJIN-AGOPTVSRSA-O 379.436 1.990 5 1 GDBF CCN(CC)C(=O)C1=C(C)NC(C)=C(C(=O)OC)[C@H]1c1ncc([N+](=O)[O-])n1C 40862698 UUFLYGUVTJMYSE-HNNXBMFYSA-N 391.428 1.605 5 1 GDBF CN(C)CCNC(=O)c1ccc(NCCNCCO)c2cc3ccccc3nc12 27546565 HJYJYNUECRAFHK-UHFFFAOYSA-N 395.507 1.673 5 1 GDBF CNS(=O)(=O)N1CCC(c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)CC1 586956172 YETUHJFIJILYQQ-UHFFFAOYSA-N 384.374 1.023 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2c(Cl)ccnc2[nH]1 587274002 XRXWRTIPDFAPAH-RYUDHWBXSA-N 377.744 1.553 5 1 GDBF O=[N+]([O-])c1ccccc1O[C@@H]1O[C@@H]2COC3(CCCCC3)O[C@H]2[C@H](O)[C@@H]1O 95921648 ZGCNYHQSOWSTQV-NQNKBUKLSA-N 381.381 1.496 5 1 GDBF CC(C)Cn1c(=O)c2ccc3c(=O)n(CCCO)c(=O)c4ccc(c1=O)c2c34 1857771707 UGFLYKGVBGBUSO-UHFFFAOYSA-N 380.400 1.104 5 1 GDBF O=C(O)C[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 29403318 UBYJQBWWSNBVPA-QMMMGPOBSA-N 383.666 1.709 5 1 GDBF COc1cc2c(cc1OC)[C@@H]1[C@H](O)[C@@H](OC)[C@H](OC(C)=O)C3=CC[N+]([O-])(C2)[C@H]31 136064112 NZYVRYPZBAESCJ-MDAMHZMCSA-N 391.420 1.245 5 1 GDBF C/C=C(/C)C(=O)O[C@H](C)[C@@](O)(C(=O)OCC1=CC[N+]2([O-])CC[C@@H](O)[C@H]12)C(C)C 85850114 IBJZSSCBLWOCEV-XBFQCHGQSA-N 397.468 1.202 5 1 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ZEKOWQWMQRIXBG-UHFFFAOYSA-N 394.347 1.909 5 1 GDBF CN(C)S(=O)(=O)c1ccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c2c1 587268807 LAYGMGPENZJMDB-UHFFFAOYSA-N 376.398 1.729 5 1 GDBF O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 29398935 UCSBVUZFPHDKDJ-SSDOTTSWSA-N 383.666 1.709 5 1 GDBF CCOC(=O)N1CCN([N+](=O)NOc2cc(C)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 377837507 FNDZIFAVQRMSAW-UHFFFAOYSA-N 399.340 1.078 5 1 GDBF CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2ccc([N+](=O)[O-])cc2)nc1O 299816599 HXUYWWVGBSXMKL-UHFFFAOYSA-N 381.392 1.474 5 1 GDBF O=[N+]([O-])c1cc(-c2nc3ccc(-n4cnnn4)cc3[nH]2)nn1CC(F)(F)F 587092579 VIBLBNNYEXDICI-UHFFFAOYSA-N 379.262 1.873 5 1 GDBF O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1O[C@H](CNC2CCCCCC2)[C@@H](O)[C@@H]1O 40420529 ILBLKZHRKKHEBC-BDXSIMOUSA-N 393.440 1.335 5 1 GDBF CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccc([N+](=O)[O-])cc1 621471737 XWQLXPKKQURUAH-IGWPVBGESA-N 386.364 1.646 5 1 GDBF CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1cccc([N+](=O)[O-])c1 621471879 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O=[N+]([O-])c1ccc(O[C@H]2O[C@@H]3CO[C@H](c4ccccc4)O[C@@H]3[C@H](O)[C@@H]2O)cc1 95921657 BGBDVEKOBCWPHZ-SVMUCYCZSA-N 389.360 1.535 5 1 GDBF COc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1[C@@H](CO)[C@@H](O)CO 2356393137 BHULANSBOAGJCQ-ONGXEEELSA-N 376.361 1.098 5 1 GDBF CSc1ccc(S(=O)(=O)NCc2nc3c(N)ncnc3[nH]2)cc1[N+](=O)[O-] 586941135 OJKUTXRUFWLUHJ-UHFFFAOYSA-N 395.426 1.044 5 1 GDBF Cc1c2cc[n+]([C@@H]3OC[C@H](O)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 28762677 BPVBTSVRULALAY-GUGJDKNPSA-O 395.435 1.696 5 1 GDBF Cc1onc(-c2nc3c(O)nc(O)nc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079739 MWICQUKSYJNKNA-UHFFFAOYSA-N 392.719 1.534 5 1 GDBF Cc1oc(-c2nc3cc(C(=O)N4CCN(CCO)CC4)ccc3[nH]2)cc1[N+](=O)[O-] 587268912 NFDNJBXXIZHOMK-UHFFFAOYSA-N 399.407 1.790 5 1 GDBF Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1ccc(CN2CCN(C)CC2)cc1 26568376 UNNIFQIWZIRFGO-UHFFFAOYSA-N 387.440 1.704 5 1 GDBF CC=C(C)C(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@H]12)C(C)C 2356321344 IBJZSSCBLWOCEV-XMWJODTMSA-N 397.468 1.202 5 1 GDBF O=C(NC[C@H]1CC[C@@H]2[C@@H](CN2S(=O)(=O)c2ccccc2[N+](=O)[O-])O1)C1CC1 95869198 CUQCMRBSEHEROM-UMVBOHGHSA-N 395.437 1.042 5 1 GDBF C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 45370291 XTFVLFGRXGBQCC-DRIVOLBVSA-N 382.460 1.712 5 1 GDBF COCCOc1ccc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)cc1[N+](=O)[O-] 587264192 COJLEYNARJTQKH-UHFFFAOYSA-N 392.393 1.811 5 1 GDBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@H]2[C@H](N=CN2C)N(C)C1=O 587648319 CIWVKNMWTBBLSC-IAGOWNOFSA-N 398.423 1.880 5 1 GDBF COc1nn(CCC(=O)n2ncc3ccc(Cl)cc3c2=O)cc1[N+](=O)[O-] 587652798 KNTOPFJWFHFOLU-UHFFFAOYSA-N 377.744 1.894 5 1 GDBF COc1cc(O)c2c(=O)c3c(OC)cccc3oc2c1[C@H](CO)[C@@H](O)CO 2356393136 BHULANSBOAGJCQ-KOLCDFICSA-N 376.361 1.098 5 1 GDBF C[C@H]1COC2(CCN(S(=O)(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)CC2)O1 169350172 NPRTYRQPHNUBCV-JTQLQIEISA-N 387.370 1.419 5 1 GDBF N[C@H](CCC(=O)n1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O)C(=O)O 103194769 WWPQKKHLAOGWBK-CQSZACIVSA-N 396.359 1.804 5 1 GDBF CN(C)S(=O)(=O)CCc1nc2ccc(Br)c([N+](=O)[O-])c2[nH]1 586930208 HVVLTFWKLJGSFG-UHFFFAOYSA-N 377.220 1.668 5 1 GDBF C[C@H](NC(=O)[C@@H]1COC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N1)c1ccccc1 38147789 SFJZUUDKNPCJAG-KKXDTOCCSA-N 383.404 1.898 5 1 GDBF Cc1c2cc[n+]([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 48999301 PKNVFFTUOHPWON-BRKWEVRTSA-O 395.435 1.696 5 1 GDBF O=C(O)c1ccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587272578 OIRUAQSHAXEKLZ-KBPBESRZSA-N 386.320 1.202 5 1 GDBF O=C1C[C@@]2(C(=O)N1)c1ccccc1S(=O)(=O)N2Cc1ccc([N+](=O)[O-])cc1 13651442 QEMVHCKXIHCYIK-KRWDZBQOSA-N 387.373 1.041 5 1 GDBF CN(C)CCOC(=O)CN(C)C(=O)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82085769 HGVCFVVQKMUBKN-UHFFFAOYSA-N 392.437 1.895 5 1 GDBF CC1CCN(C(=O)CN(C)C(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 95604229 FZGJMOCBKUTRKF-UHFFFAOYSA-N 397.453 1.329 5 1 GDBF C[C@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586939460 PDNHGQFMWAHCEY-ZETCQYMHSA-N 384.805 1.898 5 1 GDBF CN(C)C(=O)Oc1ccc2c(=O)n(Cc3cccc([N+](=O)[O-])c3)c(=O)oc2c1 653887475 CCLCEAHCIRSECN-UHFFFAOYSA-N 385.332 1.972 5 1 GDBF COc1cc(OC)c2c(=O)c3c(O)cccc3oc2c1[C@H](CO)[C@@H](O)CO 2356621101 OYAFTBOJOHDCMA-KOLCDFICSA-N 376.361 1.098 5 1 GDBF CC[S@](=O)CCOC(=O)[C@@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719580 QIHKLWAIKTWSRN-YFONVMMFSA-N 381.410 1.748 5 1 GDBF Nc1nn2c(O)cc(CN[C@H](N)SCc3ccccc3)nc2c1[N+](=O)[O-] 28357267 DPSTWAKFBZYKRC-HNNXBMFYSA-N 375.414 1.191 5 1 GDBF C/C=C1\C[N@@+]2([O-])[C@H]3C[C@@H]1[C@@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 299811251 XTFVLFGRXGBQCC-QWHGBWLXSA-N 382.460 1.712 5 1 GDBF O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O 299821351 KZTOWTNNJSUVRY-SECBINFHSA-N 394.290 1.144 5 1 GDBF C[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 17747784 GBVRGGHOJXRVAO-PZKYHXORSA-N 398.371 1.516 5 1 GDBF O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@H](c2ccccc2[N+](=O)[O-])N1 95582488 MYWYRFNGXOEEQO-UWVGGRQHSA-N 388.321 1.394 5 1 GDBF Cc1ccc([N+](=O)[O-])c2c(NCCNC(=O)Cn3ccnc3[N+](=O)[O-])ccnc12 1629580 UYZMBSWEXFHVRH-UHFFFAOYSA-N 399.367 1.784 5 1 GDBF Cn1nc(C(=O)c2c(CO)oc3cc(Br)cnc23)cc1[N+](=O)[O-] 587275568 DDOHUXUUAHHEOY-UHFFFAOYSA-N 381.142 1.955 5 1 GDBF COc1cc(-c2nc3ccc(S(N)(=O)=O)cc3[nH]2)c(OC)c([N+](=O)[O-])c1 587261187 XSRGDQDEDHJXEV-UHFFFAOYSA-N 378.366 1.803 5 1 GDBF N[C@@H](CCc1nc2cnc(Cl)[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269581 FPYNNGDCRDQXTC-JTQLQIEISA-N 375.776 1.765 5 1 GDBF O=c1c(O)nc2cc([N+](=O)[O-])c(-n3ccnc3)cc2n1[C@@H]1CN2CCC1CC2 13759237 CBVKGNRTADEAED-MRXNPFEDSA-N 382.380 1.463 5 1 GDBF CC1=C(c2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@H]4C[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 587264009 QCDVVXHNNRKELE-LEWSCRJBSA-N 397.435 1.979 5 1 GDBF CC[C@@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3cccc([N+](=O)[O-])c3nc2-1 26402680 XQHHKVBMHNTWSH-FQEVSTJZSA-N 393.355 1.988 5 1 GDBF N[C@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2[N+](=O)[O-])C1 27524574 SZRHLWXMAGPGNY-QMMMGPOBSA-N 376.344 1.619 5 1 GDBF COc1cc2c(cc1OC)[C@@H](c1ccc([N+](=O)[O-])cc1)N(S(N)(=O)=O)CC2 40395815 YWUXDDWSEKTAKY-QGZVFWFLSA-N 393.421 1.763 5 1 GDBF CCCn1c(=O)c2ccc(NCCN(C)C)c3c(=O)c4ccccc4n(c1=O)c23 100960277 NCPOKZLDLHZLFX-UHFFFAOYSA-N 392.459 1.949 5 1 GDBF Nc1ncnc2c1ncn2[C@@H]1C[C@@H](OCc2ccccc2[N+](=O)[O-])[C@@H](CO)O1 5733473 FBEHPMNCKUQUFR-MCIONIFRSA-N 386.368 1.182 5 1 GDBF O=C1COc2cc3[nH]c(CS(=O)(=O)c4ccc([N+](=O)[O-])cc4)nc3cc2N1 586920767 QUTHUNAFHIOADJ-UHFFFAOYSA-N 388.361 1.776 5 1 GDBF C[C@@H]1O[C@@H](Nc2cc(Sc3ccccc3)cc([N+](=O)[O-])c2)[C@@H](O)[C@@H](O)[C@H]1O 4185473 FLTTUASWHSPFOB-PVXYELIFSA-N 392.433 1.985 5 1 GDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587268073 WLLJEEAXFFEBEH-JTQLQIEISA-N 378.414 1.836 5 1 GDBF COCCNc1ncc(C(=O)N2CCOCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82148366 QHLRRABNXNQFBX-UHFFFAOYSA-N 387.396 1.583 5 1 GDBF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c(Cl)cc2[nH]1 586939459 PDNHGQFMWAHCEY-SSDOTTSWSA-N 384.805 1.898 5 1 GDBF NC(=O)c1cc(N2CCC(c3nc4c(N)ccnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263659 YQAZCFMOEFRAIY-UHFFFAOYSA-N 381.396 1.931 5 1 GDBF CN(C)S(=O)(=O)c1cccc2nc(CNc3ncccc3[N+](=O)[O-])[nH]c12 587268577 FMLPADTWRZXSQR-UHFFFAOYSA-N 376.398 1.729 5 1 GDBF COC(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2n1 587273818 WCLGHTNHHYLOKY-LBPRGKRZSA-N 398.379 1.551 5 1 GDBF N[C@@H]1CCN(c2c(F)cc3c(=O)c(C(=O)O)cn(C4CC4)c3c2[N+](=O)[O-])C1 27524573 SZRHLWXMAGPGNY-MRVPVSSYSA-N 376.344 1.619 5 1 GDBF CS(=O)(=O)c1ccc2nc([C@@H](N)Cc3ccc(O)c([N+](=O)[O-])c3)[nH]c2c1 587265396 TYEMTYVYMNUGME-NSHDSACASA-N 376.394 1.823 5 1 GDBF C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C1=O 12563247 BTWSFRYVPCVJKN-GSHBDLQKSA-N 398.371 1.516 5 1 GDBF OC[C@@H]1O[C@H](O)[C@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@H](O)[C@@H]1O 40449819 VYLIXIBUUQECKY-GEFFGTOZSA-N 393.439 1.474 5 1 GDBF CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@+]13[O-] 253776860 BZASEFCQVJQJFJ-LATQBIMLSA-N 398.415 1.661 5 1 GDBF C[S@](=O)C[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322009 WLSPHDIMYXVIAA-LJZMDLFKSA-N 376.386 1.763 5 1 GDBF O=C(Cn1cnc([N+](=O)[O-])n1)N1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 473152701 VMQJQZZJFVZNTF-UHFFFAOYSA-N 399.238 1.838 5 1 GDBF Cc1ccc(NC(=O)Cn2nc(C(=O)O)c3ccccc3c2=O)c([N+](=O)[O-])c1 5517023 HCIUPYFDUNMUBY-UHFFFAOYSA-N 382.332 1.950 5 3 GDBF C[S@@](=O)C[C@@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322007 WLSPHDIMYXVIAA-KPHLJTLVSA-N 376.386 1.763 5 1 GDBF O=[N+]([O-])c1cncc2nc(CCNS(=O)(=O)c3ccc(Cl)nc3)[nH]c12 586942842 PXZBQQCFMUJIBG-UHFFFAOYSA-N 382.789 1.436 5 1 GDBF CCC(=O)Nc1ccc(OC[C@@H](O)CNCCNC(=O)C(C)C)c([N+](=O)[O-])c1 27104308 OODDVCHJSQCQIL-AWEZNQCLSA-N 396.444 1.045 5 1 GDBF NCCOCCNc1nnc(NCCOCCN)c2cc3ccccc3cc12 28647509 RZNNUZHKUVLYMP-UHFFFAOYSA-N 384.484 1.557 5 1 GDBF O=C(c1ccc(F)cc1)N1CCN(C[C@@H]2CCn3cc([N+](=O)[O-])nc3O2)CC1 1772589543 VXYCSMKYPXVDCD-HNNXBMFYSA-N 389.387 1.540 5 1 GDBF Cc1ncc([N+](=O)[O-])n1C[C@@H](O)CN1CCN(c2cccc(Cl)c2)CC1 1772582779 CYQFVGWWHVQXMC-INIZCTEOSA-N 379.848 1.936 5 1 GDBF N[C@@](CCCNC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F 95552461 XGHASKQZUALAOL-CQSZACIVSA-N 379.291 1.788 5 1 GDBF O=C(O)c1cn(C[C@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O 299825707 ZUHRJVGCWAFXDF-SNVBAGLBSA-N 376.300 1.005 5 1 GDBF CCOCn1c([C@H](OC(C)=O)c2cccc([N+](=O)[O-])c2)c(CC)c(=O)[nH]c1=O 29404435 GVKUWDKGWRHBCN-MRXNPFEDSA-N 391.380 1.654 5 1 GDBF COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C(N)=O)cc(OC)c1OC 27635277 LTDXYRHGDAFGAH-UHFFFAOYSA-N 375.337 1.972 5 1 GDBF NCCNc1ccc2c(CNCCCCO)nn3c4cccc(O)c4c(=O)c1c23 101155942 MXHVASHFPQAGOF-UHFFFAOYSA-N 395.463 1.377 5 1 GDBF CS[C@@]1(CO)C(=O)N2c3cc([N+](=O)[O-])ccc3C[C@]2(SC)C(=O)N1C 72122804 QPNKLYVDVCPJLD-GJZGRUSLSA-N 383.451 1.067 5 1 GDBF biogenic COc1cc(-c2nc3cccc(S(N)(=O)=O)c3[nH]2)c(OC)c([N+](=O)[O-])c1 587261163 WZDMVNACNZFGRL-UHFFFAOYSA-N 378.366 1.803 5 1 GDBF O=C(O)CNS(=O)(=O)c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 1618812 YBRGNQPHDKSWNM-UHFFFAOYSA-N 379.350 1.210 5 1 GDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3c(S)nc(S)nc3[nH]2)cc1 586920871 SRYGGZHWOZJLEP-UHFFFAOYSA-N 383.436 1.812 5 1 GDBF O=C(NCC(=O)N1CCCNCC1)c1csc(-c2cccc([N+](=O)[O-])c2)n1 82084845 OJPDOWGRXLOADT-UHFFFAOYSA-N 389.437 1.270 5 1 GDBF C[C@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 587267118 UGSPMEUWCWTGLE-WKEGUHRASA-N 375.301 1.409 5 1 GDBF Cc1nn(Cc2ccccc2-c2nc3c(O)nc(N)nc3[nH]2)c(C)c1[N+](=O)[O-] 587268026 VUTLQPYAANZQJM-UHFFFAOYSA-N 380.368 2.078 5 1 GDBF N[C@@H](Cc1cc(-c2ccccc2)cc(CP(=O)(O)O)c1[N+](=O)[O-])C(=O)O 13741484 FJDODAARIMBISM-AWEZNQCLSA-N 380.293 1.894 5 1 GDBF CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@H]1c1ccccc1[N+](=O)[O-] 621471733 WOWFQBKIFGWJIM-IGWPVBGESA-N 386.364 1.646 5 1 GDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(N)(=O)=O)cc2[nH]1 587265059 RVFJSZYIUXSACJ-JTQLQIEISA-N 377.382 1.067 5 1 GDBF Cc1onc(-c2nc3ncnc(N)c3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079812 OHXHLHDEXDFJJW-UHFFFAOYSA-N 375.736 1.705 5 1 GDBF C/C=C1\C[N@@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1O 299811249 XTFVLFGRXGBQCC-JBPUPJDBSA-N 382.460 1.712 5 1 GDBF O=C(NCCN1CCOCC1)c1cccn2c(=O)c3ccc(Cl)cc3nc12 20646270 OXXKBJDUXHFIPE-UHFFFAOYSA-N 386.839 1.563 5 1 GDBF O=C1NC(=O)C([C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)C(=O)N1 1866490 IKIDFIQJNLAKJU-AWEZNQCLSA-N 381.344 1.934 5 1 GDBF Nc1ncnc2c1ncn2[C@@H]1C[C@@H](OCc2ccccc2[N+](=O)[O-])[C@H](CO)O1 32067991 FBEHPMNCKUQUFR-RDBSUJKOSA-N 386.368 1.182 5 1 GDBF CN(C)CCNC(=O)c1ccc(NCCN(C)C)c2c(=O)c3ccccc3[nH]c12 13652286 JQDFTSQWANVBNH-UHFFFAOYSA-N 395.507 1.946 5 1 GDBF CC=C(C)C(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@H](O)[C@@H]12)C(C)C 2356321343 IBJZSSCBLWOCEV-WVEMUNHJSA-N 397.468 1.202 5 1 GDBF CN1CCN(C(=O)C[C@@H]2c3ccccc3C(=O)N2c2ccc([N+](=O)[O-])cn2)CC1 1772580235 OFUIXKRGGXOILE-QGZVFWFLSA-N 395.419 1.855 5 1 GDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587262751 HUWCYNYSQGTTAY-BMFZPTHFSA-N 385.468 1.975 5 1 GDBF O=C(Cn1cnc([N+](=O)[O-])c1I)NCc1cccnc1 28092218 YVZIPZLZDJTJOM-UHFFFAOYSA-N 387.137 1.107 5 1 GDBF Cc1ccc(C/N=c2\c([N+](=O)[O-])nn(-c3ccc4c(c3)OCCO4)n2O)cc1 15974180 BGCFYFLJUKMNRF-HTXNQAPBSA-N 383.364 2.000 5 1 GDBF CSc1ccc(S(=O)(=O)NCc2nc3ccnc(N)c3[nH]2)cc1[N+](=O)[O-] 586941849 XHGAKEVGBPWJOJ-UHFFFAOYSA-N 394.438 1.649 5 1 GDBF CNC(=O)[C@H](C(=O)NO)N(C)C(=O)c1ccc(-c2ccc3c(c2)CCN3C)cc1 199745187 NDRRCVQDIXFNCF-GOSISDBHSA-N 396.447 1.038 5 1 GDBF O=C(O)[C@H]1O[C@H](Oc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@H](O)[C@H]1O 2356302799 BUCREAQPYGLZLI-KOVVAJLHSA-N 394.379 1.855 5 1 GDBF CN(CCCNCCCCNCCCN)c1ccc([N+](=O)[O-])c2nonc12 43066732 IBRBMVWQOOMKOT-UHFFFAOYSA-N 379.465 1.266 5 1 GDBF COc1cc(C)nc(NC(=O)NS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)n1 1857553443 YUOICWOAQNWXNU-UHFFFAOYSA-N 383.342 1.147 5 1 GDBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@H](O)CN3CCOCC3)c12 43075802 MPVZQFDAHUIBJE-CQSZACIVSA-N 382.416 1.546 5 1 GDBF NCCOC(=O)[C@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085366 BIOOUYDSNIWLHQ-CQSZACIVSA-N 390.421 1.825 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cccc([N+](=O)[O-])c2[nH]1 587273860 VZBNWNGDJADKNJ-KBPBESRZSA-N 387.308 1.412 5 1 GDBF CCOC(=O)[C@H](C)S(=O)(=O)c1nnc(-c2ccc([N+](=O)[O-])s2)s1 28570672 HQHGIDISGGRWFJ-LURJTMIESA-N 377.425 1.900 5 1 GDBF COc1cc(S(=O)(=O)O)cc2cc(S(=O)(=O)O)cc([N+](C)(C)C)c12 6519650 ZAWMXJDZORMLQV-UHFFFAOYSA-O 376.432 1.539 5 1 GDBF C/C=C1\C[N+]2(C)CC[C@]34c5ccccc5N[C@@]32[C@H](O)C[C@H]1[C@]4(CO)C(=O)OC 238746277 AFJPGVUCVDCFPM-NHTUNCILSA-N 385.484 1.389 5 1 GDBF N[C@@H](CCc1nc2c(O)nc(S)nc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587272819 QECBFAMMPGNSIM-VIFPVBQESA-N 389.397 1.154 5 1 GDBF COc1cc(OC)c2c(=O)c3c(O)cccc3oc2c1[C@@H](CO)[C@H](O)CO 2356621100 OYAFTBOJOHDCMA-GXSJLCMTSA-N 376.361 1.098 5 1 GDBF O=[N+]([O-])c1ncn(CCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 84688818 OTKBRNUNBNDCJK-UHFFFAOYSA-N 379.320 1.574 5 1 GDBF CS(=O)(=O)c1cc(-c2nc3c(O)nc(O)nc3[nH]2)cc([N+](=O)[O-])c1Cl 586924420 ACLUGXAPVUOPMK-UHFFFAOYSA-N 385.745 1.396 5 1 GDBF Cn1c2ccc(NC3=NCCN3)cc2c(=O)c2ccc(NC3=NCCN3)cc21 299844552 FHOMVXKTCQUTMZ-UHFFFAOYSA-N 375.436 1.434 5 1 GDBF N[C@@H](CCc1nc2cc([N+](=O)[O-])cnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271105 ARLRQGCDXYCUJW-LBPRGKRZSA-N 385.340 1.673 5 1 GDBF C[C@@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)OCCN(C)C 82083959 MYAYZTKRGHKGTE-LLVKDONJSA-N 392.437 1.941 5 1 GDBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@@H](NC=O)C3)c21 13478418 GVGFIAFOGXDRDO-HQQGHWSLSA-N 397.391 1.749 5 1 GDBF CC(=O)NCCNc1ncc(C(=O)N2CCCC2)c(-c2ccc([N+](=O)[O-])cc2)n1 82149033 FJECYHHFMZSFGR-UHFFFAOYSA-N 398.423 1.836 5 1 GDBF O=C(CCCCC(=O)N1CC[N+]2(CCCC2)CC1)N1CC[N+]2(CCCC2)CC1 29411417 VRWUDMLSGDSUHI-UHFFFAOYSA-N 392.588 1.452 5 1 GDBF C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@@H](C)O)[C@H]12 238768194 MTHHNSCIBYQVSB-RXMVFFGASA-N 397.468 1.202 5 1 GDBF O=C1N=C2[C@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2[N+](=O)[O-])N1 95582485 MYWYRFNGXOEEQO-NXEZZACHSA-N 388.321 1.394 5 1 GDBF CCCCNS(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587275112 UTQQPDGNELHRLZ-UHFFFAOYSA-N 378.414 1.950 5 1 GDBF NCCOC(=O)[C@@H]1CCCN1C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085367 BIOOUYDSNIWLHQ-AWEZNQCLSA-N 390.421 1.825 5 1 GDBF CCC[C@@H]1C[C@H](C(=O)N[C@](C)(CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 253634575 FUDPYSRYHXSDSL-VVHMCBODSA-N 379.457 1.616 5 1 GDBF CCN(CC)S(=O)(=O)c1ccc2nc(-c3cc([N+](=O)[O-])nn3C)[nH]c2c1 587275191 YSDVTKHDTFIWIV-UHFFFAOYSA-N 378.414 1.902 5 1 GDBF O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@H](Oc1ccc(C(F)(F)F)cn1)C2 1857639539 VMTLJFRSJPXIOJ-MRVPVSSYSA-N 378.288 1.440 5 1 GDBF CC(C)(C)C1CS(=O)(=O)C(c2cc(O)ccc2[N+](=O)[O-])S(=O)(=O)C1 13733463 NOLGPOIGECXGJW-UHFFFAOYSA-N 377.440 1.805 5 1 GDBF COc1cc[nH]c1/C=C1\C(=O)Nc2ccc([N+](=O)[O-])c(N3CC[C@H](C(N)=O)C3)c21 13478398 UICIZMQSRIHCGB-DFYQSJSGSA-N 397.391 1.736 5 1 GDBF O=C1c2cc3c(cc2OCN1CCn1cnc([N+](=O)[O-])c1)C(=O)N1CCC[C@H]1O3 72175213 BNYOQLQIKXWXTQ-MRXNPFEDSA-N 399.363 1.238 5 1 GDBF CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1ccc([N+](=O)[O-])cc1 82150257 BRJULGVQUHZZNA-UHFFFAOYSA-N 386.412 1.692 5 1 GDBF O=[N+]([O-])c1ccc(Nc2nc(N3CCN(CCO)CC3)nc3[nH]cnc23)cc1 53313077 VCDISXDGHWTILW-UHFFFAOYSA-N 384.400 1.119 5 1 GDBF Cc1cc(=O)oc2c1c1oc(C(=O)O)cc(=O)c1c1oc(C(=O)O)cc(=O)c21 169344949 YLWVXOXSNGBYPR-UHFFFAOYSA-N 384.252 1.711 5 1 GDBF O=C(NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C1=C(N2CCCC2)COC1=O 61949581 FAIZKLISUVURRQ-UHFFFAOYSA-N 379.756 1.411 5 3 GDBF CC(C)[C@H](NC(=O)CCCCCO[P@](=O)(O)OCC[N+](C)(C)C)C(N)=O 28651130 VVEGCVOUEDVEBY-HNNXBMFYSA-O 396.445 1.013 5 1 GDBF COc1ccc(-n2c(CN3CCNCC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1 169339970 RFXQHTPXSKYGSZ-UHFFFAOYSA-N 395.419 1.708 5 1 GDBF 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1.587 5 3 GDBF COc1ccc(S(=O)(=O)N2CCN(Cc3ccc([N+](=O)[O-])o3)CC2)cc1 653801354 VJNTXBSKIUADGI-UHFFFAOYSA-N 381.410 1.703 5 1 GDBF COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)[C@@H](O)[C@@H](O)C(C)(C)O4 13397664 ZDUPGHPJVKHTEK-IEBWSBKVSA-N 387.388 1.677 5 1 GDBF endogenous,in-man Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cccc(CN2CCN(C)CC2)c1 1492515 ZXCUNMHSJGOHRS-UHFFFAOYSA-N 387.440 1.704 5 1 GDBF O=C1NNC=C([N+](=O)[O-])[C@@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962629003 DKEUHEHOWFCLQU-UTKZUKDTSA-N 391.431 1.381 5 1 GDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3nc(Br)c[nH]c-3n2)cc1 586920697 VHJDLCVELKJDPD-UHFFFAOYSA-N 398.198 1.949 5 1 GDBF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 103286701 XBYSDZRQGALXBA-QMMMGPOBSA-N 379.379 1.794 5 1 GDBF COc1cc(OCc2nc3ccc(S(N)(=O)=O)cc3[nH]2)ccc1[N+](=O)[O-] 587262008 LYSGVEIQEMKCCV-UHFFFAOYSA-N 378.366 1.706 5 1 GDBF C[N@@+]1(CC2CC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5 253804914 HRLBITJBWAMBFC-DCMAONCTSA-O 383.468 1.063 5 1 GDBF O=c1c2cc([N+](=O)[O-])ccc2nc(CN2CCNCC2)n1-c1ccccc1F 169303825 HOYGNFGLVWCNRB-UHFFFAOYSA-N 383.383 1.838 5 1 GDBF NS(=O)(=O)c1ccc(F)c(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)c1 587140394 GDKBWTOUSPRDEY-UHFFFAOYSA-N 381.301 1.833 5 1 GDBF CCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCC)[C@H]1c1ccc([N+](=O)[O-])cc1 13154906 LRQXDKAQYSRKPX-FPXQBCRKSA-N 393.392 1.761 5 1 GDBF Cc1c2cc[n+]([C@H]3O[C@@H](CO)[C@H](O)[C@H]3O)cc2c(C)c2c1[nH]c1ccc(O)cc12 48998107 PKNVFFTUOHPWON-MVWVFHAYSA-O 395.435 1.696 5 1 GDBF O=C1c2ccccc2S(=O)(=O)N1C[C@@H]1CC(c2cccc([N+](=O)[O-])c2)=NO1 1857569851 GNBGSOPUQVPRAT-ZDUSSCGKSA-N 387.373 1.933 5 1 GDBF CC(=O)O[C@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] 49033254 MVVOGBRCQSCYJN-WFOPGYCASA-O 397.451 1.793 5 1 GDBF COc1ccc(NC(=O)[C@H]2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 1772569905 SHHGAHWTIJWBOZ-AWEZNQCLSA-N 398.331 1.441 5 1 GDBF O=C(NCCO)[C@H]1C(c2ccccc2)=NO[C@H]1c1cc2c(cc1[N+](=O)[O-])OCO2 4049217 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BLNIOBUDYCCJFB-GSEOLPGOSA-N 384.388 1.752 5 1 GDBF COC(=O)c1cc(C(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O)cc([N+](=O)[O-])c1 13683253 DWZRFNSBEJCUGQ-UHFFFAOYSA-N 397.299 1.086 5 1 GDBF COCCCNC(=O)c1cnc(NCCOC)nc1-c1ccc([N+](=O)[O-])cc1 82148019 CNRGXBODNHFWSK-UHFFFAOYSA-N 389.412 1.876 5 1 GDBF OC[C@H]1O[C@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O 26471130 VYLIXIBUUQECKY-ZNQXQWGRSA-N 393.439 1.474 5 1 GDBF NC(=O)c1cc(N2CCC(c3nc4c(O)nc(O)nc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263375 SGOVUGOYBOXXHO-UHFFFAOYSA-N 399.367 1.155 5 1 GDBF CSc1ccc(S(=O)(=O)NCc2nc3c(N)ccnc3[nH]2)cc1[N+](=O)[O-] 586941954 YFMWRZSWWJRINR-UHFFFAOYSA-N 394.438 1.649 5 1 GDBF O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@@H](Oc1ccc(OC(F)(F)F)cc1)C2 1857759322 LYHZJDYMRHBVMG-JTQLQIEISA-N 393.299 1.925 5 1 GDBF O=C1c2cc3c(cc2OCN1CCn1cc([N+](=O)[O-])cn1)C(=O)N1CCC[C@H]1O3 72174968 IQVIDJNDLODBGH-MRXNPFEDSA-N 399.363 1.238 5 1 GDBF CS(=O)(=O)CCNC(=O)c1cccn2c(=O)c3cc4ccccc4cc3nc12 169349297 HVPNYGPYDGPRDO-UHFFFAOYSA-N 395.440 1.775 5 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377.263 1.652 5 1 GDBF CCCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])CC1 377795118 WEHLYTWCCXFOSW-UHFFFAOYSA-N 399.340 1.160 5 1 GDBF OC[C@H]1O[C@@]2(CC(c3cc4ccccc4c4ccccc34)=NO2)[C@H](O)[C@@H](O)[C@@H]1O 653698592 CVSJVTYANOYZHD-QMCAAQAGSA-N 395.411 1.288 5 1 GDBF CC=C(C)C(=O)O[C@H](C)[C@](O)(C(=O)OCC1=CC[N@+]2([O-])CC[C@@H](O)[C@@H]12)C(C)C 2356321342 IBJZSSCBLWOCEV-WOUGYZGKSA-N 397.468 1.202 5 1 GDBF O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2ccc(F)cc2c1=O 299825703 ZUHRJVGCWAFXDF-JTQLQIEISA-N 376.300 1.005 5 1 GDBF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cncc([N+](=O)[O-])c4[nH]3)c2N)C1 586956041 YXUKEHVTFPREHF-UHFFFAOYSA-N 388.409 1.433 5 1 GDBF CC(=O)O[C@H]1[C@H]2[C@@H]3C[C@H]4C5=[N+]([O-])c6ccccc6[C@]51C[C@@H]2[N+]4([O-])[C@@H](C)[C@@H]3C(=O)O 169337837 BZASEFCQVJQJFJ-BRILDUJPSA-N 398.415 1.661 5 1 GDBF CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@+]13[O-] 253776854 BZASEFCQVJQJFJ-GTLMKVTQSA-N 398.415 1.661 5 1 GDBF 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DNIGLUHHUQKONI-UHFFFAOYSA-N 382.354 1.600 5 1 GDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 587267114 UGSPMEUWCWTGLE-LDWIPMOCSA-N 375.301 1.409 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2cc(Cl)cnc2[nH]1 587271689 FMIYTCZRNSCIND-RYUDHWBXSA-N 377.744 1.553 5 1 GDBF COc1ccc(-n2nc([N+](=O)[O-])c(=NCc3ccc4c(c3)OCO4)n2O)cc1 263592230 LNHXYOJDPLRIJX-UHFFFAOYSA-N 385.336 1.658 5 3 GDBF COc1ccc(NC(=O)[C@@H]2C(=O)NC(=O)N(c3ccc([N+](=O)[O-])cc3)C2=O)cc1 1772569906 SHHGAHWTIJWBOZ-CQSZACIVSA-N 398.331 1.441 5 1 GDBF COc1ccc2nc3cc(Cl)ccc3c(NCCNC[C@H](O)CO)c2n1 45324869 AOAIQIGKMPIJRP-LBPRGKRZSA-N 376.844 1.800 5 1 GDBF C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3C=C[C@H](C3)[C@H]2C1=O 169690338 BTWSFRYVPCVJKN-BOFATEMHSA-N 398.371 1.516 5 1 GDBF N=C(O)c1cn(-c2ccc(S(N)(=O)=O)cc2)nc1-c1ccc([N+](=O)[O-])cc1 89469046 XKWBOBPNRHNHTQ-UHFFFAOYSA-N 387.377 1.978 5 1 GDBF Cn1nccc1CS(=O)(=O)Cc1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586923566 QKLUGTRORMXUMN-UHFFFAOYSA-N 380.342 1.228 5 1 GDBF Cc1cnc(Cl)c2[nH]c([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587274077 YGONRRWNELWIDQ-STQMWFEESA-N 391.771 1.861 5 1 GDBF Nc1ncnc2c1ncn2[C@H]1C[C@@H](OCc2ccccc2[N+](=O)[O-])[C@@H](CO)O1 5733469 FBEHPMNCKUQUFR-MGPQQGTHSA-N 386.368 1.182 5 1 GDBF Nc1ccc(S(=O)(=O)NCc2cn(Cc3ccc([N+](=O)[O-])cc3)nn2)cc1 64415704 GECMKZPZSHWQNL-UHFFFAOYSA-N 388.409 1.295 5 1 GDBF O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@H](Oc1ccc(OC(F)(F)F)cc1)C2 1857759323 LYHZJDYMRHBVMG-SNVBAGLBSA-N 393.299 1.925 5 1 GDBF O=[N+]([O-])C1=C2N(C[C@H]3CCC[C@H]3N2Cc2ccc(Cl)nc2)CN(CCO)C1 35079203 OLYJZPFHLMWABM-HUUCEWRRSA-N 393.875 1.733 5 1 GDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587274927 WYBUZDNXAVTWNT-JTQLQIEISA-N 378.414 1.722 5 1 GDBF CCS(=O)(=O)C[C@@](C)(O)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1 28015346 OVADDGXJGBLCHW-GFCCVEGCSA-N 384.332 1.738 5 1 GDBF CNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)Nc1n[nH]c(=S)s1 138627767 ZRGXZRGPZWOKOK-SECBINFHSA-N 382.427 1.588 5 1 GDBF COCCCNc1ncc(C(=O)NCCOC)c(-c2cccc([N+](=O)[O-])c2)n1 82135933 ADHAFHVXNHYCDS-UHFFFAOYSA-N 389.412 1.876 5 1 GDBF CN(CCO)S(=O)(=O)c1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 28258376 YCKZRGPAFWZSQG-UHFFFAOYSA-N 377.374 1.257 5 1 GDBF O=C(O)[C@@H]1CSCN1c1nc2nonc2nc1Nc1ccc([N+](=O)[O-])cc1 82053413 DXVHWVKFZDFVJW-VIFPVBQESA-N 389.353 1.629 5 1 GDBF O=C(O)CCNc1c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c2c1[N+](=O)[O-] 1772620240 JTEUNGLBPDFBLV-UHFFFAOYSA-N 379.300 1.969 5 1 GDBF C[N+]1(CC2CC2)CC[C@]23c4c5ccc(C(N)=O)c4O[C@H]2C(=O)CC[C@@]3(O)[C@H]1C5 40893685 HRLBITJBWAMBFC-XDKTWKSGSA-O 383.468 1.063 5 1 GDBF CS(=O)(=O)c1ccc(C(=O)NCCCC(=O)N2CCCCC2)cc1[N+](=O)[O-] 95601173 INCRHHCQVBHDDR-UHFFFAOYSA-N 397.453 1.521 5 1 GDBF O=C1CCCN1CCCNc1c([N+](=O)[O-])n[n+](-c2ccc(Cl)cc2)n1O 61958042 LBCDJONGTIHIQZ-UHFFFAOYSA-O 381.800 1.383 5 1 GDBF COCCNc1ncc(C(=O)N2CCOCC2)c(-c2cccc([N+](=O)[O-])c2)n1 82135001 WGDFZRDCHXMROS-UHFFFAOYSA-N 387.396 1.583 5 1 GDBF CCCCNC(=O)CC[C@H](NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)O 1857634925 ULRBAUVMGRJVES-ZDUSSCGKSA-N 387.414 1.023 5 1 GDBF COc1cc(CN=c2nn[nH][nH]2)cc(OC)c1OCc1ccc([N+](=O)[O-])cc1 473154265 FYPWZTHVCYBTQC-UHFFFAOYSA-N 386.368 1.738 5 1 GDBF C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587274192 NZECWGNZPYTSQH-JTQLQIEISA-N 378.414 1.722 5 1 GDBF NS(=O)(=O)c1ccc2nc(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)[nH]c2c1 586921060 VZDQXZBFOAOETJ-UHFFFAOYSA-N 396.406 1.092 5 1 GDBF N[C@@H](CCc1nc2c(Cl)ncnc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587269449 CCOHZLYGCMDAOH-JTQLQIEISA-N 375.776 1.813 5 1 GDBF CC(=O)O[C@]1(C)C(=O)OC[C@@H]2CC[N@+]3([O-])CC[C@H](OC(=O)C=C(C)C[C@@H]1C)[C@@H]23 2356321552 ZWSRKXMUQMZSQI-XSUGMQCGSA-N 395.452 1.856 5 1 GDBF COc1c(O)ccc2c(=O)c3c(O)cc4c(c3n(C)c12)[C@H](O)[C@H](O)C(C)(C)O4 13397673 ZDUPGHPJVKHTEK-HKUYNNGSSA-N 387.388 1.677 5 1 GDBF endogenous,in-man CSc1ccc(S(=O)(=O)NCc2nc3c(O)ncnc3[nH]2)cc1[N+](=O)[O-] 586941323 RZENNTFJSIHUKG-UHFFFAOYSA-N 396.410 1.167 5 1 GDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262756 HUWCYNYSQGTTAY-FVQBIDKESA-N 385.468 1.975 5 1 GDBF CCC[C@@H]1C[C@H](C(=O)N[C@@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 28243881 FUDPYSRYHXSDSL-WKCGWZECSA-N 379.457 1.616 5 1 GDBF CC(=O)NCCNC(=O)c1cnc(NCC2CC2)nc1-c1cccc([N+](=O)[O-])c1 82135927 GEYJRWOTNHPHFQ-UHFFFAOYSA-N 398.423 1.740 5 1 GDBF NS(=O)(=O)c1c[nH]c(-c2nc3c([N+](=O)[O-])cc(Br)cc3[nH]2)c1 586930073 OJBSWUSUFTYIMW-UHFFFAOYSA-N 386.187 1.876 5 1 GDBF O=[N+]([O-])c1cncc2nc(CNS(=O)(=O)c3ccc(F)c(F)c3F)[nH]c12 587135802 ONUMCIRXVPZABG-UHFFFAOYSA-N 387.299 1.762 5 1 GDBF Cn1c(=O)c2ncn(Cc3cc(=O)oc4c3ccc3ccccc34)c2n(C)c1=O 1857646221 QDXGXNKWXFHMIK-UHFFFAOYSA-N 388.383 1.742 5 1 GDBF COc1cc2c(cc1OC)[C@@H](c1cccc([N+](=O)[O-])c1)N(S(N)(=O)=O)CC2 40875950 GRCLVIQEAYEYKM-QGZVFWFLSA-N 393.421 1.763 5 1 GDBF OCCNCCOc1ccc2cc3ccc(OCCNCCO)cc3nc2c1 29413737 FMFVUMPYSLKHAI-UHFFFAOYSA-N 385.464 1.309 5 1 GDBF Cn1cc([N+](=O)[O-])c(C(=O)c2c(CO)oc3cc(Br)cnc23)n1 587276221 KGSMSNCFSNOIPH-UHFFFAOYSA-N 381.142 1.955 5 1 GDBF O=[N+]([O-])c1cn2c(n1)S(=O)(=O)C[C@@H](Oc1ccc(C(F)(F)F)cn1)C2 1857639540 VMTLJFRSJPXIOJ-QMMMGPOBSA-N 378.288 1.440 5 1 GDBF O=[N+]([O-])c1cccc(Nc2nc(N3CCN(CCO)CC3)nc3[nH]cnc23)c1 53229642 DLHWWPAGKBRJNY-UHFFFAOYSA-N 384.400 1.119 5 1 GDBF CCOC(=O)c1cnc(-c2cccc([N+](=O)[O-])c2)nc1NN1C(=O)C=C(C)C1=O 29397509 GDPWWZPDWRFGIN-UHFFFAOYSA-N 397.347 1.871 5 1 GDBF CC1=C(c2ccc3nc(C[C@@H]4C(=O)C[C@H](C)[C@@H]4C[N+](=O)[O-])[nH]c3c2)NNC(=O)C1 587264003 QCDVVXHNNRKELE-BPNCWPANSA-N 397.435 1.979 5 1 GDBF COC(=O)c1ccnc2[nH]c(CS(=O)(=O)c3ccc([N+](=O)[O-])cc3)nc12 586920437 KDNTWGXNKHEPFC-UHFFFAOYSA-N 376.350 1.627 5 1 GDBF O=[N+]([O-])c1cc([C@H](NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1 13440483 NODYQEOCEWHVKQ-CQSZACIVSA-N 396.252 1.508 5 1 GDBF Cc1onc(-c2nc3c(O)nncc3[nH]2)c1Cn1cc(Cl)c([N+](=O)[O-])n1 587079038 FOBLBXKMOQXSBJ-UHFFFAOYSA-N 376.720 1.828 5 1 GDBF NS(=O)(=O)c1cc(NC(=O)Nc2ccc3c(c2)OCO3)c(O)c([N+](=O)[O-])c1 1857655950 ORVNHJJKEJHGBW-UHFFFAOYSA-N 396.337 1.321 5 1 GDBF COCC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)C(C(=O)OC)=C(C)N1 49112898 APPKLXWHRBPLNS-HNNXBMFYSA-N 376.365 1.802 5 1 GDBF COc1ccc(-n2cc(CO[C@@H]3COc4nc([N+](=O)[O-])cn4C3)nn2)cc1F 45315816 ZPJUCDFHSBBTRG-LBPRGKRZSA-N 390.331 1.498 5 1 GDBF Cc1cnc2c(c1)S(=O)(=O)N(Cc1cccc([N+](=O)[O-])c1)CN2CC(=O)O 71318691 QXJKNBPHLNLFGJ-UHFFFAOYSA-N 392.393 1.351 5 1 GDBF N[C@@H](CCc1nc2nc(Cl)c[nH]c-2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587270950 UXWRELDPHFIDKO-JTQLQIEISA-N 375.776 1.765 5 1 GDBF Cc1ccc([N+](=O)[O-])c([C@@]2(C)c3[nH]cnc3C[C@H]3C(=O)N4CCC[C@H]4C(=O)N32)c1 963207608 RJSSDAHBWACLRB-FTRWYGJKSA-N 395.419 1.648 5 1 GDBF O=C1CN(Cc2nc3ccc([N+](=O)[O-])cc3c(=O)n2-c2ccccc2F)CCN1 203653133 ATTKHHCGLNWRHK-UHFFFAOYSA-N 397.366 1.365 5 1 GDBF O=[N+]([O-])c1ccc(CN2C[C@@H](N3CCN(CC4CC4)CC3)CS2(=O)=O)cc1 61923707 YLXAPELKCDMJPJ-GOSISDBHSA-N 394.497 1.136 5 3 GDBF CC(=O)O[C@@]1(c2ccccc2)c2cc([N+](=O)[O-])ccc2NC(=O)CN1[N+](=O)[O-] 33829467 BIPBWKRVOQYJMX-KRWDZBQOSA-N 386.320 1.805 5 1 GDBF COc1cc2c(cc1OC)[C@H](c1ccc([N+](=O)[O-])cc1)N(S(N)(=O)=O)CC2 40395814 YWUXDDWSEKTAKY-KRWDZBQOSA-N 393.421 1.763 5 1 GDBF C/C=C1/C[N+]2(C)CC[C@]34c5ccccc5N[C@@]32[C@H](O)C[C@H]1[C@]4(CO)C(=O)OC 169645495 AFJPGVUCVDCFPM-VTAFQGNGSA-N 385.484 1.389 5 1 GDBF O=C(c1ccc([N+](=O)[O-])cc1)N1CCC(c2nc3c(O)nc(O)nc3[nH]2)CC1 587270567 NNFPGGQCWGNGHG-UHFFFAOYSA-N 384.352 1.692 5 1 GDBF COC(=O)c1ccnc2[nH]c(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)nc12 587271248 DPRIGEKNECKBEW-ZDUSSCGKSA-N 398.379 1.551 5 1 GDBF NCCC[C@](NC(=O)OCc1ccc([N+](=O)[O-])cc1F)(C(=O)O)C(F)F 95556077 ZBRYQWISLMQTHQ-CQSZACIVSA-N 379.291 1.788 5 1 GDBF O=C(O)c1cn(C2CC2)c2c([N+](=O)[O-])c(N3CCOCC3)c(F)cc2c1=O 26954044 MLVROEMVJFRDEW-UHFFFAOYSA-N 377.328 1.919 5 1 GDBF OC[C@@H]1O[C@@H](O)[C@@H](NCc2ccc3ccc4cccc5ccc2c3c45)[C@@H](O)[C@@H]1O 26471109 VYLIXIBUUQECKY-AZCFJWIISA-N 393.439 1.474 5 1 GDBF O=C(O)C(=O)N[C@H](Cc1ccc(OCc2ccccc2[N+](=O)[O-])cc1)C(=O)O 45374101 XILIMABFMQTKBZ-CQSZACIVSA-N 388.332 1.370 5 1 GDBF CCOC(=O)N1CCN([N+](=O)NOc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C[C@H]1C 377813092 LIHBZOMPMAAWEY-SNVBAGLBSA-N 399.340 1.158 5 1 GDBF O=[N+]([O-])c1ncn(CCCCNS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 84688819 ICCJYTZQFXTQSO-UHFFFAOYSA-N 393.347 1.964 5 1 GDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587265288 VQXGDQBPOMPUIY-WXHSDQCUSA-N 394.453 1.474 5 1 GDBF C[C@@H]1CC(=O)[C@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-] 587262606 HDFAJFOITZUUFD-UTUOFQBUSA-N 394.453 1.474 5 1 GDBF O=C(O)c1ccn(-c2cc3c(cc2[N+](=O)[O-])nc(O)c2nc(C(=O)O)nn23)c1 13532628 HREVLFOANBUFKJ-UHFFFAOYSA-N 384.264 1.078 5 1 GDBF NS(=O)(=O)c1ccc2nc(-c3cn(-c4cccc([N+](=O)[O-])c4)nn3)[nH]c2c1 587270203 SAJLFSSTPSATMW-UHFFFAOYSA-N 385.365 1.366 5 1 GDBF OC[C@H]1O[C@@H](Oc2c3ccccc3c3nccc4cc[nH]c2c43)[C@H](O)[C@@H](O)[C@@H]1O 5939937 FUADXHDEKVHXKW-FFYOZGDPSA-N 396.399 1.048 5 1 GDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 587266606 LPJZGFLCYVIWTL-MLUIRONXSA-N 391.300 1.115 5 1 GDBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O 587648908 NYNCRTVQPPFATF-DLBZAZTESA-N 398.423 1.880 5 1 GDBF O=C(O)c1ccc(S(=O)(=O)N[C@@H](Cc2ccc([N+](=O)[O-])cc2)C(=O)O)cc1 214273656 ZHSMDLPSBGXPQW-AWEZNQCLSA-N 394.361 1.267 5 1 GDBF CC(=O)O[C@@H]1[C@@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@@+]13[O-] 253776865 BZASEFCQVJQJFJ-QQNIVHBCSA-N 398.415 1.661 5 1 GDBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@H](N1CCOCC1)CCO2 1857593272 SZFGDESEYGUWKP-CQSZACIVSA-N 379.413 1.674 5 1 GDBF COc1c(C(C)(C)[C@H](O)CO)c(O)c2c(=O)c3cccc(O)c3oc2c1O 238789558 JIZMIZKEQUJUSI-SNVBAGLBSA-N 376.361 1.702 5 1 GDBF CC(=O)O[C@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+]([O-])c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] 102041688 BZASEFCQVJQJFJ-JREDLDCFSA-N 398.415 1.661 5 1 GDBF Nc1ncnc2c1ncn2[C@@H]1C[C@H](OCc2ccccc2[N+](=O)[O-])[C@H](CO)O1 105508188 FBEHPMNCKUQUFR-IHRRRGAJSA-N 386.368 1.182 5 1 GDBF COc1cc2c(cc1OC)[C@H](c1cccc([N+](=O)[O-])c1)N(S(N)(=O)=O)CC2 40875947 GRCLVIQEAYEYKM-KRWDZBQOSA-N 393.421 1.763 5 1 GDBF O=[N+]([O-])c1cc(CS(=O)(=O)c2nnnn2C2CCCCC2)cc([N+](=O)[O-])c1 169331781 VUDBXKZXVKHXLL-UHFFFAOYSA-N 396.385 1.969 5 1 GDBF O=C(O)c1cccc2nc([C@@H](O)[C@H](O)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c12 587272286 MGVPWEPACYTFQC-KBPBESRZSA-N 386.320 1.202 5 1 GDBF CC(C)(C)c1[nH]cnc1C=c1nc(O)c(=Cc2cccc([N+](=O)[O-])c2)nc1O 299816351 WKWCIQRMKIXECJ-UHFFFAOYSA-N 381.392 1.474 5 1 GDBF O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])s1 103286696 JPNSDQYDYZKGEC-MRVPVSSYSA-N 379.379 1.794 5 1 GDBF Cc1ccc(C(=O)COC(=O)CN2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1[N+](=O)[O-] 2480913 KOTBAVYTFOXIEH-VUWOVVPOSA-N 398.371 1.436 5 1 GDBF COCCCNC(=O)c1cnc(NCCOC)nc1-c1cccc([N+](=O)[O-])c1 82134818 XXZINERJNSTBCK-UHFFFAOYSA-N 389.412 1.876 5 1 GDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587267197 GLPGIBGOMLFZNN-SNVBAGLBSA-N 378.414 1.836 5 1 GDBF C/C=C1\C[N+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H](O)[C@]4(C[C@@H]12)c1ccccc1N(C)[C@H]34 238754050 XTFVLFGRXGBQCC-OWOPMTOOSA-N 382.460 1.712 5 1 GDBF NC(=O)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587271009 WNQZNGZMUUEMGC-ZDUSSCGKSA-N 382.380 1.469 5 1 GDBF Cc1ccc(S(=O)(=O)N(C)NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 26257175 NNXAKBPPRRBRAK-UHFFFAOYSA-N 385.423 1.417 5 1 GDBF C[C@H](NC(=O)[C@H]1COC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N1)c1ccccc1 40575970 SFJZUUDKNPCJAG-DOPJRALCSA-N 383.404 1.898 5 1 GDBF CCCN(CCC)c1c([N+](=O)[O-])cc(C(=O)N(CCO)CCO)cc1[N+](=O)[O-] 5733601 ZECYMEXHHZVGMJ-UHFFFAOYSA-N 398.416 1.556 5 1 GDBF CCOC(=O)C1=C(C)NC(CO)=C(C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 31490825 LWTWJBUKUVHABE-MRXNPFEDSA-N 390.392 1.928 5 1 GDBF N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)c1nc2ccc(S(=O)(=O)O)cc2[nH]1 587263742 CZLHJSWLCNRDNP-JTQLQIEISA-N 378.366 1.666 5 1 GDBF CCC[C@H]1C[C@H](C(=O)N[C@@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 28243887 FUDPYSRYHXSDSL-CZANMRCUSA-N 379.457 1.616 5 1 GDBF CN1C(=O)[C@H]2C=C[C@@H]1[C@@H]1C(=O)N(c3ccc([N+](=O)[O-])c4ccccc34)C(=O)[C@H]21 28347511 AWUASRQQAQTHGV-DXEWXGHRSA-N 377.356 1.880 5 1 GDBF N[C@@H](CCc1nc2cncc([N+](=O)[O-])c2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271944 JUAOCYCMLSZPQE-NSHDSACASA-N 385.340 1.673 5 1 GDBF O=C1NNC=C([N+](=O)[O-])[C@]12c1ccccc1C[C@@H]1CN(c3ccccc3)CCN12 962628994 DKEUHEHOWFCLQU-DYESRHJHSA-N 391.431 1.381 5 1 GDBF C[S@@](=O)C[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322011 WLSPHDIMYXVIAA-RPHGYIDUSA-N 376.386 1.763 5 1 GDBF CCCN(CCC)c1c([N+](=O)[O-])cc(S(=O)(=O)NCCO)cc1[N+](=O)[O-] 58591276 ANSCPBKCGPLSQU-UHFFFAOYSA-N 390.418 1.400 5 1 GDBF O=C1N[C@@H](Cc2c[nH]c3cccc([N+](=O)[O-])c23)C(=O)N[C@H]1Cc1ccccc1 14765822 NBRLIEDDTJSMAU-HOTGVXAUSA-N 378.388 1.845 5 1 GDBF biogenic C[C@@H]1O[C@H](Oc2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)[C@H](O)[C@H](O)[C@H]1O 28002166 UULSPKJPSGCIMK-PJWBGXTRSA-N 389.360 1.032 5 1 GDBF O=C1N=C(NO)C(c2ccc(O)c([N+](=O)[O-])c2)=C1c1ccc(O)c([N+](=O)[O-])c1 1857649592 PXKRDHDWALYKMB-UHFFFAOYSA-N 386.276 1.743 5 1 GDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3ccc(N4CCN(C)CC4)cc3[nH]2)[C@@H]1C[N+](=O)[O-] 587262762 HUWCYNYSQGTTAY-VNQPRFMTSA-N 385.468 1.975 5 1 GDBF CN(C)S(=O)(=O)c1cccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c12 587273068 HDASGACQVLAUMA-UHFFFAOYSA-N 378.414 1.551 5 1 GDBF Nc1nc2oc3ccc(C4CCS(=O)(=O)CC4)cc3c(=O)c2cc1C(=O)O 1857765190 YLXHHSZCWBYDQH-UHFFFAOYSA-N 388.401 1.914 5 1 GDBF O=C1c2ccccc2S(=O)(=O)N1C[C@H]1CC(c2ccc([N+](=O)[O-])cc2)=NO1 1857600169 WOCRMWFAXDVFSZ-CYBMUJFWSA-N 387.373 1.933 5 1 GDBF O=[n+]1c2cc3c(cc2n(O)c2cccc(O)c21)CN(CCN1CCOCC1)C3 377841285 BMCJEQJIDGHJDO-UHFFFAOYSA-O 383.428 1.300 5 1 GDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)nc(O)nc2[nH]1 587266604 LPJZGFLCYVIWTL-ANLVUFKYSA-N 391.300 1.115 5 1 GDBF CC(=O)O[C@]1(C)C(=O)OC[C@@H]2CC[N@+]3([O-])CC[C@H](OC(=O)C=C(C)C[C@H]1C)[C@H]23 2356321551 ZWSRKXMUQMZSQI-QPPKDJHYSA-N 395.452 1.856 5 1 GDBF CC(C)N(C(=O)CCNC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(C)C 95602855 FBMHXYQYTGEMHC-UHFFFAOYSA-N 399.469 1.764 5 1 GDBF C/C=C1\C[N@+]2([O-])[C@H]3C[C@@H]1[C@]1(C(=O)OC)[C@@H]2C[C@]2(c4ccccc4N(C)[C@H]32)[C@H]1O 299811252 XTFVLFGRXGBQCC-UKQBIQDLSA-N 382.460 1.712 5 1 GDBF O=C(C[C@@H]1SC(=O)NC1=O)Nc1nnc(-c2ccccc2[N+](=O)[O-])s1 103286697 JPNSDQYDYZKGEC-QMMMGPOBSA-N 379.379 1.794 5 1 GDBF Nc1cc(N)nc(SCCN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)n1 26836137 GRWIWROUHUWLFV-UHFFFAOYSA-N 389.485 1.459 5 1 GDBF CCS(=O)(=O)CCOC(=O)[C@H]1C(C)=NC(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 169719462 FWERPCVWYLUHSA-UONOGXRCSA-N 397.409 1.414 5 1 GDBF O=[N+]([O-])c1ccc(S(=O)(=O)n2nnnc2-c2ccc3c(c2)OCO3)cc1 73220216 DLICEQGVDKWCPZ-UHFFFAOYSA-N 375.322 1.214 5 1 GDBF CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)[C@@H]2[C@@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N12 29254103 ONEDESPSBFCVIB-GZBFAFLISA-N 396.421 1.061 5 1 GDBF CN(CC(=O)N1CCCCC1)C(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1 95605221 VHPXCRLXUJEOAF-UHFFFAOYSA-N 383.426 1.083 5 1 GDBF O=[N+]([O-])c1cc(CS(=O)(=O)c2nnnn2-c2ccccc2)cc([N+](=O)[O-])c1 169331782 ONWRCTYHCNBYLO-UHFFFAOYSA-N 390.337 1.453 5 1 GDBF Cc1oc(CNS(C)(=O)=O)cc1-c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586945243 BYXHTERSVKCASJ-UHFFFAOYSA-N 395.353 1.997 5 1 GDBF CN(CC(=O)N1CCNCC1)C(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1 82085740 XDAXYDLHQSFNSN-UHFFFAOYSA-N 389.437 1.222 5 1 GDBF O=C(O)C[C@H]1OCC=C2C[N+]3(CO)CC[C@]45c6ccccc6N[C@H]4[C@H]1[C@H]2C[C@@H]53 238766457 VEHOQSLNNSKEAH-PBLGMLDFSA-O 383.468 1.707 5 1 GDBF O=C(O)c1cn(C2CC2)c2nc(N3CCSCC3)c([N+](=O)[O-])cc2c1=O 28867981 AEUIFGCGTCVELS-UHFFFAOYSA-N 376.394 1.891 5 1 GDBF O=c1n([C@H]2CO[C@@H](CO)O2)cc(F)c2nc(-c3ccc([N+](=O)[O-])cc3)cn12 26838995 UTTKWKPKQPXHDU-ZIAGYGMSSA-N 376.300 1.074 5 1 GDBF C/C=C(\C)C(=O)O[C@@H]1CC[N+]2([O-])CC=C(COC(=O)[C@](O)(C(C)C)[C@H](C)O)[C@H]12 87528745 MTHHNSCIBYQVSB-FMYLHMKPSA-N 397.468 1.202 5 1 GDBF in-vitro O=C1COCCN1c1ccc(CO[C@@H]2COc3nc([N+](=O)[O-])cn3C2)cc1F 653793666 NFLGJSBUECMFDX-LBPRGKRZSA-N 392.343 1.271 5 1 GDBF NC(=O)c1cc(N2CCC(c3nc4c(O)ncnc4[nH]3)CC2)ccc1[N+](=O)[O-] 587263339 RTHQCNYVPLEQBZ-UHFFFAOYSA-N 383.368 1.450 5 1 GDBF CC[C@]1(O)C(=O)OCc2c1cc1n(c2=O)Cc2cc3ccc([N+](=O)[O-])cc3nc2-1 13220362 GLRJWRVLJLAIAQ-HXUWFJFHSA-N 393.355 1.988 5 1 GDBF Cc1cc(Cl)nc(NC(=O)NS(=O)(=O)Oc2ccccc2[N+](=O)[O-])n1 1857589266 NHLPZMISFNFADV-UHFFFAOYSA-N 387.761 1.792 5 1 GDBF Cc1cc(Cl)nc(NC(=O)NS(=O)(=O)Oc2ccc([N+](=O)[O-])cc2)n1 1857535706 HGRLEBYCIALLOA-UHFFFAOYSA-N 387.761 1.792 5 1 GDBF O=C(O)C[C@@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 29403315 UBYJQBWWSNBVPA-MRVPVSSYSA-N 383.666 1.709 5 1 GDBF CNS(=O)(=O)c1cc(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)n(C)c1 586947487 OVONAYSRYKDUEU-UHFFFAOYSA-N 380.342 1.293 5 1 GDBF O=C(C[C@H]1SC(=O)NC1=O)Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1 103286699 XBYSDZRQGALXBA-MRVPVSSYSA-N 379.379 1.794 5 1 GDBF CCS(=O)(=O)CCOC(=O)[C@H]1C(C)=NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 169719464 FWERPCVWYLUHSA-KBPBESRZSA-N 397.409 1.414 5 1 GDBF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cncc([N+](=O)[O-])c2[nH]1 587227570 OKGXDQLLEXNLDF-UHFFFAOYSA-N 384.352 1.409 5 1 GDBF O=C1C(=O)N(CCN2CCN(NCc3ccc([N+](=O)[O-])o3)CC2)c2ccccc21 1772571343 QJGFINOWEIVVRR-UHFFFAOYSA-N 399.407 1.040 5 1 GDBF O=C(O)[C@H]1NCCN(C(=O)c2ccc3cc4ccccc4cc3c2)[C@H]1C(=O)O 82152410 HFLLLNMKIQKDKS-ZWKOTPCHSA-N 378.384 1.945 5 1 GDBF O=[N+]([O-])c1ccc(-n2nnnc2OCc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 169329947 YNUZVOUJLMYKKK-UHFFFAOYSA-N 387.268 1.966 5 1 GDBF O=C(c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1)N1CCOCC1 82148136 TUAZZQPKXUGBQW-UHFFFAOYSA-N 399.407 1.361 5 1 GDBF O=C(O)c1cn(C[C@@H](O)Cn2cnc([N+](=O)[O-])c2)c2c(F)cc(F)cc2c1=O 299821352 KZTOWTNNJSUVRY-VIFPVBQESA-N 394.290 1.144 5 1 GDBF C[C@@H]1CC(=O)[C@H](Cc2nc3ccc(S(=O)(=O)N(C)C)cc3[nH]2)[C@H]1C[N+](=O)[O-] 587265286 VQXGDQBPOMPUIY-RTXFEEFZSA-N 394.453 1.474 5 1 GDBF O=C(c1ccc([N+](=O)[O-])o1)N1CCC2(CC1)C[C@@H](N1CCOCC1)CCO2 1857593271 SZFGDESEYGUWKP-AWEZNQCLSA-N 379.413 1.674 5 1 GDBF CN(C)S(=O)(=O)c1ccc(OCc2nc3cncc([N+](=O)[O-])c3[nH]2)cc1 586932011 SGFYTIIJOJRUNW-UHFFFAOYSA-N 377.382 1.695 5 1 GDBF O=C1c2cc3c(cc2OCN1CCn1cnc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H]1O3 72175214 BNYOQLQIKXWXTQ-INIZCTEOSA-N 399.363 1.238 5 1 GDBF O=C(Cn1c2ccccc2c2nc3ccccc3nc21)NCCCNCCO 1772613230 LZZKSUFETRWVHN-UHFFFAOYSA-N 377.448 1.826 5 1 GDBF Cn1cc(-c2cnc3ccc4ccc(NS(N)(=O)=O)cc4c(=O)c3c2)cn1 72112667 KKTIIYBITFAHGL-UHFFFAOYSA-N 381.417 1.764 5 1 GDBF N[C@@H](CCc1nc2cc3nc(O)[nH]c3cc2[nH]1)C(=O)Nc1ccc([N+](=O)[O-])cc1 587271157 CEBGBDURBMXGLY-NSHDSACASA-N 395.379 1.952 5 1 GDBF Cn1c2ccccc2c(=O)c2cccc(C(=O)N[C@H](CCC(N)=O)C(=O)O)c21 5582338 GUTPPHJZEXNFQM-CQSZACIVSA-N 381.388 1.140 5 1 GDBF C[C@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@H]2C1=O 169690337 BTWSFRYVPCVJKN-OYLQLQMYSA-N 398.371 1.516 5 1 GDBF CC[S@](=O)CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 40566910 GLSZSQUYSPCBSW-RMKBEBRYSA-N 381.410 1.535 5 1 GDBF COc1cnc2c(c1)C(=O)c1c-2n(CCCN)c(=O)c2cc([N+](=O)[O-])ccc12 103250732 IYZMVJDDDLUYMA-UHFFFAOYSA-N 380.360 1.874 5 1 GDBF O=[N+]([O-])c1ccc(S(=O)(=O)Cc2nc3ccc(-n4cnnn4)cc3[nH]2)cc1 586920262 GRTKFRLOARMLGV-UHFFFAOYSA-N 385.365 1.421 5 1 GDBF O=[N+]([O-])c1cc([C@@H](NCc2ccco2)P(=O)(O)O)c2nc(O)c(O)nc2c1 13440485 NODYQEOCEWHVKQ-AWEZNQCLSA-N 396.252 1.508 5 1 GDBF C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@H](C)O1 28867999 KOTMUVMROGTSHI-UWVGGRQHSA-N 388.380 1.951 5 1 GDBF Cc1ncc([N+](=O)[O-])n1C[C@H](O)Cn1cc(C(=O)O)c(=O)c2cc(F)ccc21 299818832 AVBIKZLEGBDYSW-LLVKDONJSA-N 390.327 1.313 5 1 GDBF C[C@@H]1CN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)N(C(=O)OC(C)(C)C)[C@H]1O 1857590403 JCZWOSCIEGKZAW-MFKMUULPSA-N 387.414 1.706 5 1 GDBF CC[C@@]1(O)C(=O)OCc2c1c([N+](=O)[O-])c1n(c2=O)Cc2cc3ccccc3nc2-1 66113502 UHOVTGRPKJHLRQ-FQEVSTJZSA-N 393.355 1.988 5 1 GDBF NS(=O)(=O)c1ccc(CCc2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3[nH]2)cc1 586930404 RWRVZNTVCPVSTO-UHFFFAOYSA-N 391.365 1.812 5 1 GDBF Cc1c([N+](=O)[O-])cnn1[C@@H](C)c1nc2ccc(S(=O)(=O)N(C)C)cc2[nH]1 587267192 GLPGIBGOMLFZNN-JTQLQIEISA-N 378.414 1.836 5 1 GDBF CCCc1ccc(N2C[C@H](C[C@](C)(C(=O)NO)S(C)(=O)=O)OC2=O)cc1 230475074 RTCBXHMAMFKIFX-WMLDXEAASA-N 384.454 1.663 5 1 GDBF CC(=O)O[C@@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N@+]13[O-] 253975358 MVVOGBRCQSCYJN-UQZSRNJLSA-O 397.451 1.793 5 1 GDBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@@H]2[C@H](N=CN2C)N(C)C1=O 587648318 CIWVKNMWTBBLSC-DLBZAZTESA-N 398.423 1.880 5 1 GDBF CO/C(O)=C1/C(C)=Nc2c(c(=O)n(C)c(=O)n2C)[C@@H]1c1ccccc1[N+](=O)[O-] 621471734 WOWFQBKIFGWJIM-KAECEXQPSA-N 386.364 1.646 5 1 GDBF CCOC(=O)C1=C(C)NC(=O)N(CCC(=O)O)[C@@H]1c1cccc([N+](=O)[O-])c1 1772594179 MGTYQRRJACHXHO-OAHLLOKOSA-N 377.353 1.973 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(Cl)nc2[nH]1 587272506 NBGPSLPPDBILLK-RYUDHWBXSA-N 377.744 1.553 5 1 GDBF Cc1[nH]c2cc([N+](=O)[O-])ccc2c1CCCN1C(=O)[C@H]2[C@@H](N=CN2C)N(C)C1=O 587648321 CIWVKNMWTBBLSC-SJORKVTESA-N 398.423 1.880 5 1 GDBF Cc1[nH]c2cccc([N+](=O)[O-])c2c1CCCN1C(=O)[C@@H]2[C@@H](N=CN2C)N(C)C1=O 587649022 NYNCRTVQPPFATF-IRXDYDNUSA-N 398.423 1.880 5 1 GDBF CC1CCN(C(=O)CCNC(=O)c2ccc(S(C)(=O)=O)c([N+](=O)[O-])c2)CC1 95602180 QCQMDIMTRIQLID-UHFFFAOYSA-N 397.453 1.377 5 1 GDBF Cc1c([N+](=O)[O-])cnn1[C@H](C)c1nc2cccc(S(=O)(=O)N(C)C)c2[nH]1 587268074 WLLJEEAXFFEBEH-SNVBAGLBSA-N 378.414 1.836 5 1 GDBF C[C@H](NC(=O)c1csc(-c2ccccc2[N+](=O)[O-])n1)C(=O)N1CCNCC1 82083475 LQMPCUOMSVPOPP-NSHDSACASA-N 389.437 1.268 5 1 GDBF CN1CCN(C(=O)C[C@H]2c3ccccc3C(=O)N2c2ccc([N+](=O)[O-])cn2)CC1 1772580234 OFUIXKRGGXOILE-KRWDZBQOSA-N 395.419 1.855 5 1 GDBF CC(=O)O[C@H]1[C@H]2[C@@H]3C[C@@]14C(=[N+](C)c1ccccc14)[C@@H]1C[C@H]2[C@@H](C(=O)O)[C@H](C)[N+]13[O-] 102227378 MVVOGBRCQSCYJN-KNPSVSIDSA-O 397.451 1.793 5 1 GDBF CC(=O)O[C@]1(C)C(=O)OC[C@@H]2CC[N@+]3([O-])CC[C@H](OC(=O)C=C(C)C[C@H]1C)[C@@H]23 2356321550 ZWSRKXMUQMZSQI-LAZCSWDTSA-N 395.452 1.856 5 1 GDBF C[C@@H]1CC(=O)[C@@H](Cc2nc3cccc(S(=O)(=O)N(C)C)c3[nH]2)[C@H]1C[N+](=O)[O-] 587262608 HDFAJFOITZUUFD-WOPDTQHZSA-N 394.453 1.474 5 1 GDBF N=C(N)c1ccc2nc(CC[C@H](N)C(=O)Nc3ccc([N+](=O)[O-])cc3)[nH]c2c1 587270634 OQUNRCAORULSGF-ZDUSSCGKSA-N 381.396 1.654 5 1 GDBF Cn1c([N+](=O)[O-])cnc1-c1nnc(N2CCN(C(=O)c3ccccc3)CC2)s1 40919019 MSKSXJXFZKOIME-UHFFFAOYSA-N 399.436 1.809 5 1 GDBF C[S@](=O)C[C@H](O)COc1ccc2oc3ccc(C(=O)O)cc3c(=O)c2c1 169322012 WLSPHDIMYXVIAA-QYOLQKOISA-N 376.386 1.763 5 1 GDBF O=C(CNC(=O)OCc1ccccc1)NCc1nc2cc([N+](=O)[O-])cnc2[nH]1 587226679 DVPJEDAFGJYINV-UHFFFAOYSA-N 384.352 1.409 5 1 GDBF CC(C)CC(=O)N[C@@H](CC(N)=O)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 587202102 BXRMAFJHNLCLEV-JTQLQIEISA-N 378.345 1.458 5 1 GDBF O=[N+]([O-])c1cncc2nc(CNS(=O)(=O)c3ccc4c(c3)OCCO4)[nH]c12 586941814 ONXTTXIGTLALBU-UHFFFAOYSA-N 391.365 1.116 5 1 GDBF COc1cc(OC)c2c(=O)c3c(O)cccc3oc2c1[C@H](CO)[C@H](O)CO 238785788 OYAFTBOJOHDCMA-MWLCHTKSSA-N 376.361 1.098 5 1 GDBF C[C@@H](NS(=O)(=O)c1cnn(C)c1)c1nc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]1 586940281 YZAJDSHEGSJCTI-SSDOTTSWSA-N 395.357 1.152 5 1 GDBF O=C1N=C2[C@@H](C(=O)N=C3SC([N+](=O)[O-])=CN32)[C@@H](c2ccccc2[N+](=O)[O-])N1 95582487 MYWYRFNGXOEEQO-VHSXEESVSA-N 388.321 1.394 5 1 GDBF C[C@@H](O)[C@@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2c(O)ncnc2[nH]1 587267115 UGSPMEUWCWTGLE-LHLIQPBNSA-N 375.301 1.409 5 1 GDBF Nc1nc(O)c2nc(C3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)[nH]c2n1 587270048 IYHSWRMAKOLWKR-UHFFFAOYSA-N 383.368 1.569 5 1 GDBF COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N1CCC[C@H](Cn2ccnc2)C1 653864188 ZNQSUTZOQACINW-CYBMUJFWSA-N 380.426 1.901 5 1 GDBF OC[C@H]1O[C@H](Oc2cccc3c2[nH]c2cc4ccccc4nc23)[C@@H](O)[C@H](O)[C@H]1O 2356687553 SRDJZKPJNJDIHB-PQLHGUBISA-N 396.399 1.048 5 1 GDBF C[C@@H](O)[C@H](Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1nc2cnnc(O)c2[nH]1 587265911 HYLRXADDANRHJH-KBUNVGBDSA-N 375.301 1.409 5 1 GDBF C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(c3ccc(C[N+]4(C)CCOCC4)cc3)C[C@H]12 3924994 HIQKIEWSBYFVNF-FSPWUOQZSA-O 387.456 1.071 5 1 GDBF NC(=O)c1ccccc1Nc1nc(NCCCN2CCCC2=O)ncc1[N+](=O)[O-] 64510576 UUKXIJPRWLGHGE-UHFFFAOYSA-N 399.411 1.652 5 1 GDBF C[N+]1(CC2CC2)CC[C@]23CC(=O)CC[C@@]2(O)[C@H]1Cc1ccc(C(N)=O)c(O)c13 40895442 ATCVVCBJNHXIEX-UNTQOGJHSA-O 385.484 1.398 5 1 GDBF in-man O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@H]2O)cc(Sc2ccccc2)c1 4185222 XBMKODJDSTWVOB-QBPKDAKJSA-N 378.406 1.597 5 1 GDBF CC1(C)O[C@@H]2[C@@H](CO)O[C@@H](OCc3noc(-c4ccc([N+](=O)[O-])cc4)n3)[C@@H]2O1 1772633941 OZOZRRBFVIFIDW-XKVFNRALSA-N 393.352 1.399 5 1 GDBF NC(=O)c1cc(N2CCC(c3nc4cc(N)ncc4[nH]3)CC2)ccc1[N+](=O)[O-] 587262533 BRDUYRDGNWDYQK-UHFFFAOYSA-N 381.396 1.931 5 1 GDBF CS(=O)(=O)N1CCc2c(ccc(-c3nc4cc([N+](=O)[O-])cnc4[nH]3)c2N)C1 586955728 UMXUOCOQGKUOQS-UHFFFAOYSA-N 388.409 1.433 5 1 GDBF CCC[C@@H]1C[C@@H](C(=O)N[C@@](C)(CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)N(C)C1 28243865 FUDPYSRYHXSDSL-DOEAQHAXSA-N 379.457 1.616 5 1 GDBF O=[N+]([O-])c1cc(N[C@@H]2OC[C@@H](O)[C@@H](O)[C@@H]2O)cc(Sc2ccccc2)c1 4185227 XBMKODJDSTWVOB-WCXIOVBPSA-N 378.406 1.597 5 1 GDBF CSc1ccc(S(=O)(=O)NCc2nc3cnnc(O)c3[nH]2)cc1[N+](=O)[O-] 586941341 SFDLNYPZMHUSIQ-UHFFFAOYSA-N 396.410 1.167 5 1 GDBF CN(C)[N+](=O)NOc1cc(Nc2ccc(CO)cc2)c([N+](=O)[O-])cc1[N+](=O)[O-] 377803814 OTVNOWBWJURQFH-UHFFFAOYSA-N 393.336 1.793 5 1 GDBF OC[C@H]1O[C@@H](Oc2cccc3c2[nH]c2cc4ccccc4nc23)[C@@H](O)[C@H](O)[C@H]1O 2356687554 SRDJZKPJNJDIHB-VHQPJYBDSA-N 396.399 1.048 5 1 GDBF CS(=O)(=O)c1cc(-c2nc3c(O)nc(N)nc3[nH]2)cc([N+](=O)[O-])c1Cl 586926877 QDLIOWNEQPUIFD-UHFFFAOYSA-N 384.761 1.273 5 1 GDBF O=[N+]([O-])c1ccc(C=c2nc(O)c(=Cc3ccccc3[N+](=O)[O-])nc2O)cc1 253639069 WIKITQIYWUXHHB-UHFFFAOYSA-N 380.316 1.362 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc([N+](=O)[O-])cc2[nH]1 587272498 MSXLAMZYKODXND-KBPBESRZSA-N 387.308 1.412 5 1 GDBF Cc1ccc2c(c1)c(=O)c(C(=O)O)cn2C[C@@H](O)Cn1c([N+](=O)[O-])cnc1C 299825523 YSGCDTKLSKSERM-GFCCVEGCSA-N 386.364 1.482 5 1 GDBF Cn1c2ccccc2c(=O)c2c(O)cc3c(c21)C[C@@H](C(Cl)(CO)CO)O3 14689090 OYGSTYGNRLPAMK-HNNXBMFYSA-N 375.808 1.663 5 1 GDBF endogenous,in-man CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)[C@@H]2[C@H](Cc3ccc([N+](=O)[O-])cc3)C(=O)N12 29254115 ONEDESPSBFCVIB-UMVBOHGHSA-N 396.421 1.061 5 1 GDBF C[C@H]1CN(c2nc3c(cc2[N+](=O)[O-])c(=O)c(C(=O)O)cn3C2CC2)C[C@@H](C)O1 28867995 KOTMUVMROGTSHI-AOOOYVTPSA-N 388.380 1.951 5 1 GDBF Cc1ncc([N+](=O)[O-])n1CCOc1c(C(=O)O)cc([N+](=O)[O-])cc1[N+](=O)[O-] 49762327 BAVTYVPXXIMEBA-UHFFFAOYSA-N 381.257 1.693 5 1 GDBF COc1ccc2c(c1O)N1C(=O)C[C@@H]3OCC=C4C[N+]5([O-])CC[C@@]26[C@@H]1[C@H]3[C@H]4C[C@@H]65 238768817 FGFMDCCHLLGQKB-GUWFLJGQSA-N 396.443 1.819 5 1 GDBF CN(C)S(=O)(=O)c1ccc2nc(CCCn3ccc([N+](=O)[O-])n3)[nH]c2c1 587274660 XXWJARLDKLDAPR-UHFFFAOYSA-N 378.414 1.551 5 1 GDBF CC[C@H]1C[C@H](C)[C@](C)(OC(C)=O)C(=O)OCC2=CC[N+]3([O-])CC[C@@H](OC1=O)[C@@H]23 136354127 GQVHLPXCFNBWGC-JHFBSSHUSA-N 395.452 1.856 5 1 GDBF C[C@@H](C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C1=O 169295014 BTWSFRYVPCVJKN-OBWXAGNPSA-N 398.371 1.516 5 1 GDBF CCN(C)C(=O)c1cnc(NCCNC(C)=O)nc1-c1cccc([N+](=O)[O-])c1 82136193 DCLBONVCXVSVJR-UHFFFAOYSA-N 386.412 1.692 5 1 GDBF O=c1n(CCN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(O)c2n1CCCC2 169714901 XDFZHNZGCJKQNJ-UHFFFAOYSA-N 387.440 1.422 5 1 GDBF CSc1ccc(S(=O)(=O)NCc2nc3ncc[nH]c-3n2)cc1[N+](=O)[O-] 586940677 BWGFTGDBSKKUCN-UHFFFAOYSA-N 380.411 1.413 5 1 GDBF N[C@@H](CCC(=O)n1c(-c2ccc([N+](=O)[O-])cc2)nc2ccccc2c1=O)C(=O)O 103194766 WWPQKKHLAOGWBK-AWEZNQCLSA-N 396.359 1.804 5 1 GDBF COCCNC(=O)c1cnc(N2CCOCC2)nc1-c1ccc([N+](=O)[O-])cc1 82150162 IXHUXSBTUPBUCX-UHFFFAOYSA-N 387.396 1.265 5 1 GDBF C/C=C1/C[N+]2(C)CC[C@@]34c5ccccc5N[C@]32[C@@H](O)C[C@@H]1[C@]4(CO)C(=O)OC 4097927 AFJPGVUCVDCFPM-GWOIXLOFSA-N 385.484 1.389 5 1 GDBF in-vitro Cc1cc(C(=O)O[C@H]2[C@H](C)NS(=O)(=O)[C@H]3C[C@H]4C=C[C@]23O4)cc([N+](=O)[O-])c1 102322124 AIPJQKWAPHHTMA-NDVGNUNBSA-N 394.405 1.216 5 1 GDBF O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](O)[C@H](O)c1nc2ccc(F)c(F)c2[nH]1 587273203 QPWHARAVFMVCQS-KBPBESRZSA-N 378.291 1.782 5 1 GDBF CCOC(=O)[C@](Cc1ccco1)(NC(C)=O)C(=O)Nc1ncc([N+](=O)[O-])s1 39010518 NOOIKYOUJFXKIH-OAHLLOKOSA-N 396.381 1.264 5 1 GDBF COc1cc2c(cc1OC)C(c1cccc([N+](=O)[O-])c1)=Nn1c(n[nH]c1=O)C2 29545813 PLRBYKVLIWSBMJ-UHFFFAOYSA-N 381.348 1.702 5 1 GDBF O=C(O)c1cccc2c(=O)c3ccccc3n(C[C@@H](O)CN3CCOCC3)c12 43075805 MPVZQFDAHUIBJE-AWEZNQCLSA-N 382.416 1.546 5 1 GDBF