smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1 7881388 YJIUNFYPZKBBHC-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 7881669 GCVFCCCAAVVVRF-CQSZACIVSA-N 416.817 3.336 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 52979783 UWMHRZRRHUTODW-MRXNPFEDSA-N 417.487 3.251 5 40 HGBB COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2)cc1Br 224884431 NLICJFWYYVVDGR-UHFFFAOYSA-N 401.238 3.191 5 40 HGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC[C@H]2CCCO2)cc1 6949106 NRWWYZDMABQIKJ-LJQANCHMSA-N 415.398 3.376 5 40 HGBB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)Nc1cc([N+](=O)[O-])ccc1F 9882861 LRZBSAYWVNLNLH-UHFFFAOYSA-N 411.176 3.389 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 13784877 LXJDECQUUSHPCJ-FUOYASODSA-N 406.394 3.350 5 40 HGBB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 15881846 GXSAQIWVCPLNNW-UHFFFAOYSA-N 411.848 3.270 5 40 HGBB O=C(NCc1cccnc1OC1CCCC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 41524352 WPRLDYAIHZBERH-UHFFFAOYSA-N 418.837 3.220 5 40 HGBB CC(C)OC(=O)CCCNC(=O)CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 95943238 HNANHDVLIZYZHW-UHFFFAOYSA-N 405.373 3.264 5 40 HGBB CCc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222683972 HURLHJAQMLFHPF-UHFFFAOYSA-N 405.476 3.342 5 40 HGBB COc1ccc([C@@H](CNC(=O)Cn2nccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 604114442 AZDQYXYWPZZNKX-GOSISDBHSA-N 419.441 3.230 5 40 HGBB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)Cn1cc([N+](=O)[O-])ccc1=O 7020421 KVQDYHALRXZOPH-UHFFFAOYSA-N 421.453 3.384 5 40 HGBB COc1ccc(CCN(C)S(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)cc1OC 15325671 GUWAAEYAGWEJKC-UHFFFAOYSA-N 408.476 3.092 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Br)cc1 20611702 FCYDFUZPNTVDAS-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1ccc(OC(F)(F)F)cc1 24778346 MSJRXYPHNMCTAF-NSHDSACASA-N 412.320 3.355 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 408660571 AVLPMZZVCQTRPM-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 5022731 WMWBOAYAJOAHIE-UHFFFAOYSA-N 413.459 3.342 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@H]2C)cc1 13880616 UVKJFDJDBXKUIG-CQSZACIVSA-N 409.895 3.456 5 40 HGBB Cc1ccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])cc1 20329485 VPDJTQAVHNXTPT-UHFFFAOYSA-N 419.489 3.341 5 40 HGBB Cc1nc(SCC(=O)N(C)[C@H](C)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c(C)c1C 25835821 ZJHJDKFJUYISNU-CQSZACIVSA-N 416.503 3.326 5 40 HGBB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225074645 UQGJAZFDOJQNNZ-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB CCn1nc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2c1=O 10855524 CSZRYFOZNSQETE-UHFFFAOYSA-N 400.822 3.250 5 40 HGBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccccc1[N+](=O)[O-] 9057523 DONMOBBDXVTDHP-UHFFFAOYSA-N 401.360 3.284 5 40 HGBB CC(C)(C)OC(=O)N1C[C@@H](Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])C[C@H]1C(=O)O 42783194 MUEKRMPXOVXPFC-JQWIXIFHSA-N 420.340 3.455 5 40 HGBB COc1ccc(C(=O)N(C)C[C@@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4680802 MSOYAUHCMPGQQW-QGZVFWFLSA-N 416.474 3.413 5 40 HGBB COC(=O)c1nn(-c2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 20137901 OADUWJRMPRYANA-UHFFFAOYSA-N 423.307 3.052 5 40 HGBB COc1ccc(C(=O)O[C@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1[N+](=O)[O-] 5640097 FWAGPPXRTXGYJG-SECBINFHSA-N 403.416 3.436 5 40 HGBB CCN1C(=O)[C@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2cc(Br)ccc21 8921899 QRPNZBCGIQVIHK-SFHVURJKSA-N 419.231 3.184 5 40 HGBB C[C@H]1CCCCN1CCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 9118849 LJPYZBBTNGTTKX-HNNXBMFYSA-N 412.556 3.348 5 40 HGBB CCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)cc1OC 40155231 GKLVJSDRCKKIGQ-UHFFFAOYSA-N 401.419 3.393 5 40 HGBB O=C(COC(=O)c1ccc(Br)o1)Nc1cc(Cl)ccc1[N+](=O)[O-] 5506919 VJBGGBHEDVBIMS-UHFFFAOYSA-N 403.572 3.399 5 40 HGBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3Br)CC2)cc1 83937767 VRAQKRKHGWBYHN-UHFFFAOYSA-N 420.263 3.328 5 40 HGBB COc1ccc(OC)c(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)c1 408532668 ONGQWFVVHTXAEI-UHFFFAOYSA-N 411.370 3.297 5 40 HGBB Cc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 5413573 FXMFTLLFVWVGDH-UHFFFAOYSA-N 403.441 3.445 5 40 HGBB Cc1ccc(C)c(NC(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 7820012 IFIMLVHLBKWWRG-ZDUSSCGKSA-N 400.387 3.167 5 40 HGBB CCc1ccc([C@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1 10296594 AQZKBTYEGVUZQB-SFHVURJKSA-N 416.401 3.001 5 40 HGBB COc1cc2c(cc1OC)-c1c(OC)c(OC)c([N+](=O)[O-])c3c1[C@@H](C2)N(C)CC3 20518184 GHNKQXUBBRYYOC-CQSZACIVSA-N 400.431 3.381 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1195658860 FPSSGRDRJBAVHA-CVEARBPZSA-N 406.483 3.123 5 40 HGBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NC1CC1 4906361 CZVLJHKESWEYOO-UHFFFAOYSA-N 411.469 3.194 5 40 HGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10203644 CJZPTSUFPAGSIG-QGZVFWFLSA-N 424.501 3.465 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 29285094 RANUMKFTDPJOQC-UHFFFAOYSA-N 409.364 3.451 5 40 HGBB CCOC(=O)CN(c1ccccc1OCC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224770377 AGKMIUADDRFMGS-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224980023 GWDKSWHYSLKOCF-MRXNPFEDSA-N 413.474 3.089 5 40 HGBB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1[N+](=O)[O-] 68835011 LJPXHWWFDXARRE-UHFFFAOYSA-N 408.380 3.374 5 40 HGBB O=C(Oc1ccc(Cl)cc1C(=S)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 4679038 LESMIZOYEAYBKN-UHFFFAOYSA-N 406.847 3.475 5 40 HGBB Cc1ccc([C@@H](CN2CCOCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 24258081 OLVLRZPUNSIXLK-GOSISDBHSA-N 403.866 3.360 5 40 HGBB COc1ccc([C@@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1832912 BJWHKKNMUOMXBE-SJORKVTESA-N 416.494 3.238 5 40 HGBB biogenic O=C(NCc1nncn1-c1ccccc1)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-] 48354867 NOSPZZJZZNPMHF-UHFFFAOYSA-N 421.335 3.047 5 40 HGBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224281861 BCQZVHCYTHSZIY-INIZCTEOSA-N 415.465 3.466 5 40 HGBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccco1 2247113 QUYGKMTWKXBZKI-OAHLLOKOSA-N 415.453 3.423 5 40 HGBB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])ccc1O 5560437 YPPVIDPXYVMCKJ-FNORWQNLSA-N 400.387 3.121 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 7977305 LQYKHAWXEODWKQ-UHFFFAOYSA-N 420.853 3.144 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1[N+](=O)[O-] 8974092 ZBBMWVRPONUIEZ-UHFFFAOYSA-N 418.212 3.309 5 40 HGBB Cc1nc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1Br 17088160 HTJFHWAMZNJXKL-UHFFFAOYSA-N 409.265 3.496 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 22375273 SLAPJPFDOGKKOV-MRXNPFEDSA-N 419.503 3.163 5 40 HGBB C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCOCC1 23182292 BHBJGJZKUKLUFC-CXAGYDPISA-N 406.533 3.405 5 40 HGBB Cc1c(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)cccc1[N+](=O)[O-] 23616319 FBAKYJWYLLMRFP-DHZHZOJOSA-N 401.444 3.095 5 40 HGBB CCOc1cc(CNC(=O)c2ccc3nc4ccccc4c(=O)n3c2)ccc1OC 57477766 JFBQNIHLFHEODE-UHFFFAOYSA-N 403.438 3.185 5 40 HGBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224281811 BCQZVHCYTHSZIY-MRXNPFEDSA-N 415.465 3.466 5 40 HGBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)CC 408696767 FBHLQUWKLPWEJQ-UHFFFAOYSA-N 407.448 3.451 5 40 HGBB CCOc1ccc(CCNC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)cc1OCC 4601357 TWPAIIPIAGGHBJ-UHFFFAOYSA-N 402.403 3.093 5 40 HGBB COc1cc(NC(=O)COC(=O)CCC(=O)c2cccs2)c(C)cc1[N+](=O)[O-] 4916373 VAKLFVFAFFPEJF-UHFFFAOYSA-N 406.416 3.118 5 40 HGBB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H](C)SC2=N1 5067166 DTBUJXURVXEJKG-BLLLJJGKSA-N 403.460 3.443 5 40 HGBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 6441658 JUYVFCVUVOHOCC-UHFFFAOYSA-N 411.370 3.466 5 40 HGBB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 9708714 GVAULQYMECBCSF-IBGZPJMESA-N 420.425 3.047 5 40 HGBB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12893289 VEHVBVQJGRGZNZ-KRWDZBQOSA-N 423.878 3.430 5 40 HGBB O=C(CSc1nnc2nc(O)cc(-c3ccccc3)n12)Nc1ccc([N+](=O)[O-])cc1 15881773 UBPIDEDKMIUSTA-UHFFFAOYSA-N 422.426 3.136 5 40 HGBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1CN1CCN(c2ccccc2)CC1 20266094 IMIMDULJSJBUBV-XMHGGMMESA-N 424.482 3.411 5 40 HGBB COc1cccc(OC)c1C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6954640 NZJNIIIYLFGOLX-UHFFFAOYSA-N 405.838 3.228 5 40 HGBB CCOc1cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c([N+](=O)[O-])cc1OC 7568038 BZCYBZGQTILQLZ-UHFFFAOYSA-N 410.329 3.076 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1 8416350 NVPNJOHBKOPLJD-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2N1 9411278 RFCQFNLRBOXFHS-CQSZACIVSA-N 412.793 3.024 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2ccc(CN3CCCCC3)cc2)cc1[N+](=O)[O-] 15357209 MRONIASNNMUFNZ-UHFFFAOYSA-N 403.504 3.368 5 40 HGBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)S2)cc1 34701675 VJGMJEWPVQAAHM-VPEZWSJASA-N 401.444 3.471 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@@H]1C[C@@H]2C[C@H]3C[C@H]2C[C@H]1C3 102691994 BTUZUIDUPGWLIR-ICBNADEASA-N 416.542 3.291 5 40 HGBB Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 408586387 OIFIOBKFCSOXPJ-UHFFFAOYSA-N 418.431 3.430 5 40 HGBB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 408663984 YMEQSKHPRHYNRG-GOSISDBHSA-N 424.453 3.499 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)CC1 4544737 CFDWYVNTLZLSIP-BAMKMPJRSA-N 411.458 3.123 5 40 HGBB CCOc1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1 5204328 JIPDQRTURCTCRJ-UHFFFAOYSA-N 400.416 3.251 5 40 HGBB Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 7685487 LYLKRPRGUSRCHR-GFCCVEGCSA-N 412.851 3.017 5 40 HGBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2[N+](=O)[O-])C1 12603950 GYYDJXDSKIAUJA-GASCZTMLSA-N 415.446 3.143 5 40 HGBB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC 15790726 OXZXRKHUQQBPFC-UHFFFAOYSA-N 421.475 3.195 5 40 HGBB O=C(NC[C@H](c1ccccc1Cl)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] 31661966 RXGDWFKLUBZIDX-GOSISDBHSA-N 404.854 3.443 5 40 HGBB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 12859356 GEMJELUQSHBLML-OAHLLOKOSA-N 424.434 3.427 5 40 HGBB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C(C)C)c1 27340353 DJJOMJZIZQAOLB-SFHVURJKSA-N 401.419 3.005 5 40 HGBB O=C(CCc1ccccc1)NC1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 48274184 HQANHMRTGLMYON-UHFFFAOYSA-N 407.474 3.115 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408682141 JAINSYHYUMBMNJ-IRXDYDNUSA-N 405.410 3.103 5 40 HGBB CCOP(=O)(OCC)/C(=C\n1c(S)nc2ccc([N+](=O)[O-])cc21)C(=O)OC 1636746 QNBZXWZURAUMSU-LCYFTJDESA-N 415.364 3.471 5 40 HGBB COc1cccc(CN(C)c2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 7984320 ISIDMBJVPUSSAY-UHFFFAOYSA-N 405.476 3.024 5 40 HGBB Cc1c(NC(=O)c2cccc(S(=O)(=O)N3CCCCC3)c2)cccc1[N+](=O)[O-] 8267620 UZULJQMWSAMREK-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 9379149 OLHRWBDFTHWBCZ-HXUWFJFHSA-N 419.503 3.425 5 40 HGBB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc([N+](=O)[O-])ccc1NCCO 9562990 DWRDQSQYKMTLDO-UHFFFAOYSA-N 418.793 3.059 5 40 HGBB COc1ccc2cc(CCNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(=O)[nH]c2c1 9669259 HAVORCVIBCSZSO-UHFFFAOYSA-N 401.806 3.071 5 40 HGBB COc1ccc(-c2csc(NC(=O)COC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1 2620277 FNSMITODOAKWGG-UHFFFAOYSA-N 403.372 3.115 5 40 HGBB COc1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1Br 6275166 RSPBOCYQNLQTLO-UHFFFAOYSA-N 410.249 3.493 5 40 HGBB COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@H]2CCCc3ccccc32)cc1OC 12773142 ZKVKGTXVVNIJDR-KRWDZBQOSA-N 400.431 3.436 5 40 HGBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1 15737729 AWAYMMAJQLTWFH-UHFFFAOYSA-N 417.487 3.341 5 40 HGBB CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@H](OCC)C12CCCCC2 78874843 IPLTWCAPFFEFMP-MSOLQXFVSA-N 405.495 3.123 5 40 HGBB CCOc1cccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222527465 MCNKCRPYIXFXTF-GOSISDBHSA-N 421.475 3.177 5 40 HGBB Cc1nn(Cc2ccccc2C(=O)Nc2ccc3c(c2)OCCO3)c(C)c1[N+](=O)[O-] 2795666 RIGYFNIJQYHUAI-UHFFFAOYSA-N 408.414 3.480 5 40 HGBB Cn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1 4130389 KCCYKPGMMONUKY-UHFFFAOYSA-N 416.438 3.205 5 40 HGBB COc1ccccc1[C@@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 6250194 QLFNVYVYGHJWMA-LJQANCHMSA-N 419.503 3.256 5 40 HGBB CCOc1ccccc1-n1nnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 9284663 LOGSHEZZTIITIV-UHFFFAOYSA-N 415.431 3.128 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCC1(c2ccc3c(c2)OCCO3)CCCC1 10519454 DKUAZCTWNNZIMW-UHFFFAOYSA-N 418.471 3.156 5 40 HGBB Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 15881358 SYNCHXOFASLFDN-UHFFFAOYSA-N 419.372 3.389 5 40 HGBB COc1cc(OC)cc([C@@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2nccn2C)c1 36435329 LJMDXICFOPNYQJ-GOSISDBHSA-N 411.418 3.257 5 40 HGBB CSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220030693 SLLMUROQVFFELI-UHFFFAOYSA-N 409.489 3.030 5 40 HGBB Cc1cc(C)cc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220378805 RUAGLRMSLYNENX-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB COc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl 408569427 WTRRYCKQJQRFBX-HKJQZYRSSA-N 413.861 3.403 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(NCCCN3CCCCC3)c([N+](=O)[O-])c2)CC1 9376583 KFIQDOSTPPXPBS-UHFFFAOYSA-N 424.567 3.303 5 40 HGBB CCNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 9891959 DKPQETHNZXTJIR-UHFFFAOYSA-N 424.910 3.191 5 40 HGBB O=C(c1cccc(OC[C@@H]2CCCO2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 26367097 IDKBNLLFCVZMFQ-NRFANRHFSA-N 411.458 3.115 5 40 HGBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27374964 PQKRUKJVZASWQC-ZBFHGGJFSA-N 422.441 3.261 5 40 HGBB C[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCCOc1ccccc1F 32670133 AZJILMRLCPVHJY-LLVKDONJSA-N 410.785 3.128 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 409235347 ZUHLIBWABLCDJK-OVCLIPMQSA-N 401.375 3.409 5 40 HGBB NC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)sc2c1CCCC2 6062185 WCUXVYQOAOOYPQ-UHFFFAOYSA-N 409.851 3.305 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 7881178 XURNCPDUSZQGGH-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 17092137 GLDDLQIZDKORHM-UHFFFAOYSA-N 420.403 3.037 5 40 HGBB CCOc1ccccc1N1CCN(C(=O)c2cn[nH]c2-c2ccc([N+](=O)[O-])cc2)CC1 72328750 XQGJKSDJWNGNEG-UHFFFAOYSA-N 421.457 3.346 5 40 HGBB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 223113333 ZUJVPHMXPKPPHL-UHFFFAOYSA-N 402.432 3.184 5 40 HGBB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225015159 NJJFHPQXQVLKDU-UHFFFAOYSA-N 400.840 3.481 5 40 HGBB COc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409416255 SNGYCLLACMUQBK-DAXSKMNVSA-N 407.220 3.443 5 40 HGBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1ccc(F)cc1Cl 2658625 HRFGHHJFRFABKN-UHFFFAOYSA-N 406.753 3.117 5 40 HGBB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O 3596030 QQQMWWFNUJURGL-OAQYLSRUSA-N 410.430 3.089 5 40 HGBB CCCCOc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 3636958 KXTZBLVKBJHEPR-AQTBWJFISA-N 422.466 3.453 5 40 HGBB O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCC(=O)c1ccccc1 4113426 LBZIBIDQMMWCHN-UHFFFAOYSA-N 424.409 3.177 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 4159821 HNNDOPFUTVBSDP-FQEVSTJZSA-N 415.405 3.441 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccco1 13370261 PZTNAKQOHOPMHQ-MHWRWJLKSA-N 421.365 3.326 5 40 HGBB O=C(NCCc1cccs1)c1cc([N+](=O)[O-])ccc1I 32477963 URIATWDVSPTOAK-UHFFFAOYSA-N 402.213 3.233 5 40 HGBB O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 33652047 JHPYOKPTYDOYLW-NVNXTCNLSA-N 401.356 3.445 5 40 HGBB NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3cccc(I)c3)oc12 73641692 JKODSBIMGFMIGJ-UHFFFAOYSA-N 409.139 3.107 5 40 HGBB CCc1ccc(/C=c2/s/c(=C\C(=O)c3ccc(Cl)cc3)[nH]c2=O)cc1[N+](=O)[O-] 105631981 NLDPSFWOFRXIBT-PAUOAVIZSA-N 414.870 3.053 5 40 HGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220311649 POPTYJGFRWLEFE-JTQLQIEISA-N 415.830 3.181 5 40 HGBB CCOc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222619740 KDJXTBXGYMJRBK-UHFFFAOYSA-N 421.475 3.178 5 40 HGBB Cc1cccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)c1 17209301 JOQFOLTXBGTDDO-UHFFFAOYSA-N 419.489 3.341 5 40 HGBB COc1cc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c([N+](=O)[O-])cc1OC 24225027 MZUDHJSCFLPVNN-UHFFFAOYSA-N 410.430 3.129 5 40 HGBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 25230040 OUEVNJFJTWRQDM-UYAOXDASSA-N 414.458 3.333 5 40 HGBB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223109389 YOWYGVRGNLTCLX-KRWDZBQOSA-N 403.866 3.344 5 40 HGBB CSc1ccc(C(=O)NCC(=O)NCc2ccc(C(C)C)cc2)cc1[N+](=O)[O-] 239672489 BTGZOOFPQBEUCF-UHFFFAOYSA-N 401.488 3.486 5 40 HGBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 408565270 BLUNMNIXBKWOIU-SFHVURJKSA-N 414.443 3.423 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 408965927 XQDWHTLZWXQNAY-NVNXTCNLSA-N 417.374 3.115 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1195658863 FPSSGRDRJBAVHA-JKSUJKDBSA-N 406.483 3.123 5 40 HGBB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 12528639 HSMAJJIINYFYHF-UHFFFAOYSA-N 414.437 3.435 5 40 HGBB O=C(Nc1ccc(F)c(Cl)c1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 17155320 BCXZUOWZNCITOH-UHFFFAOYSA-N 417.780 3.430 5 40 HGBB CC(C)C(=O)Nc1cccc(NC(=O)COc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 32114723 WKLIQIGHRITOMQ-UHFFFAOYSA-N 402.363 3.115 5 40 HGBB Cc1nn(Cc2ccc(C(=O)N3CC[C@@H](Oc4cccnc4)C3)cc2)c(C)c1[N+](=O)[O-] 79110878 MPTRFLHWJMRUQK-HXUWFJFHSA-N 421.457 3.145 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NC(C(C)C)C(C)C)S(C)(=O)=O 222373998 LCPKVNZUZCMDDI-UHFFFAOYSA-N 413.540 3.246 5 40 HGBB O=C(OCc1cc(=O)oc2cc(O)ccc12)c1cc([N+](=O)[O-])ccc1N1CCCC1 5972179 NCYASYXWAHWSFW-UHFFFAOYSA-N 410.382 3.364 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 9597042 XJDOFWBRUYEBLN-VIFPVBQESA-N 423.765 3.349 5 40 HGBB O=C(NC[C@@H](c1ccccc1Cl)N1CCOCC1)Nc1ccccc1[N+](=O)[O-] 31661967 RXGDWFKLUBZIDX-SFHVURJKSA-N 404.854 3.443 5 40 HGBB C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@H](C)O1 40142628 ZTIRJNYVHBRZFY-GJZGRUSLSA-N 422.445 3.041 5 40 HGBB CCCOc1ccc(-c2nc3s/c(=C\c4ccccc4[N+](=O)[O-])c(=O)n3n2)cc1 2261369 XEQTVALXXHDPPX-ATVHPVEESA-N 408.439 3.063 5 40 HGBB CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(C)=O)cc2)cc1[N+](=O)[O-] 6242746 OMMXPJOEIXMBCM-UHFFFAOYSA-N 402.432 3.079 5 40 HGBB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 9708135 GVAULQYMECBCSF-LJQANCHMSA-N 420.425 3.047 5 40 HGBB O=C(OCC(=O)N1CCc2ccccc2C1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 4840036 IWJNPIQKAHZSJA-UHFFFAOYSA-N 423.469 3.327 5 40 HGBB Cc1ccc(NC(=O)Cn2nnc(-c3cccc(C(F)(F)F)c3)n2)c([N+](=O)[O-])c1 4932882 JZASKISBLQNMIE-UHFFFAOYSA-N 406.324 3.214 5 40 HGBB CCN(CCNc1ccc(CO)c2sc3ccccc3c(=O)c12)CC(C)(C)O 5010737 QHXAKFDWYXSMJM-UHFFFAOYSA-N 400.544 3.412 5 40 HGBB CCn1c(COc2ccc(C)cc2[N+](=O)[O-])nc2cc(S(=O)(=O)N(C)C)ccc21 6972559 ROKKOEGMBSOCAV-UHFFFAOYSA-N 418.475 3.102 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2cccnc2)N2CCc3ccccc32)cc1 9708089 PABPNJRZBIDKPJ-NRFANRHFSA-N 424.482 3.072 5 40 HGBB Cc1cccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1C 17089891 WJRIPFZGMGHVLC-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccccc5Cl)c(=O)c4cc3c2=O)n1 40399132 VHMMUNLHIUQPOO-UHFFFAOYSA-N 418.844 3.024 5 40 HGBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 100490502 MUIHSHNSWGAMOX-UHFFFAOYSA-N 416.331 3.182 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1622831243 KZGNOPTXRGHYQJ-HUUCEWRRSA-N 408.455 3.417 5 40 HGBB Cc1ccc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cc1[N+](=O)[O-] 4939883 NYUHKSMEUAGTKG-UHFFFAOYSA-N 419.441 3.449 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 7881599 BAIMNVWUMOTYOH-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccc([N+](=O)[O-])cc1 32127513 DRORNCRZSONVKO-UHFFFAOYSA-N 424.442 3.395 5 40 HGBB COC(=O)[C@@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 58022999 FDLZFPKQMRBTSQ-ITHMCKDVSA-N 419.231 3.401 5 40 HGBB Cc1cc(NC(=O)COc2c([N+](=O)[O-])cnc3ccc(Br)cc23)no1 96003406 GZNJHLGGRNVZST-UHFFFAOYSA-N 407.180 3.219 5 40 HGBB COc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 885720 FTOSQTZFSXYRBO-KRWDZBQOSA-N 409.320 3.213 5 40 HGBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 6591964 HMYNTIDYXPZJNC-ROUUACIJSA-N 406.394 3.407 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245777 LCIBPDYQWOWMLM-CYBMUJFWSA-N 405.813 3.417 5 40 HGBB Cn1ccnc1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(F)c1 12560013 QYQICHLFBDXCQR-QGZVFWFLSA-N 404.423 3.072 5 40 HGBB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 19929249 AEZGOTAKXPPLSF-UHFFFAOYSA-N 413.415 3.334 5 40 HGBB O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc([N+](=O)[O-])cc1 20738876 MEBRYLGSJLTYIL-AWEZNQCLSA-N 412.793 3.029 5 40 HGBB CC(C)OC(=O)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 44408548 FWJWDPRQUDCZLX-ZDUSSCGKSA-N 407.404 3.377 5 40 HGBB CCSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 20452505 IIORGHRQVMCRBF-UHFFFAOYSA-N 409.489 3.112 5 40 HGBB O=C(NC1CC1)c1ccc(NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 32869561 PFQQQWWPLQWILR-SFHVURJKSA-N 416.503 3.034 5 40 HGBB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219827981 AJKPTDCKNHZCJI-INIZCTEOSA-N 416.430 3.409 5 40 HGBB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2)n1 6787730 FMSVYVMGRXRTLL-UHFFFAOYSA-N 405.458 3.360 5 40 HGBB C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCN(C)CC1 4270917 TVKBNPXOSYBYAA-OXQOHEQNSA-N 413.547 3.258 5 40 HGBB Cn1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)n1 13566809 OLSIFFSQRHXIIW-HXUWFJFHSA-N 408.462 3.331 5 40 HGBB COc1ccccc1C(=O)Nc1cc(N2CCN(C)CC2)c([N+](=O)[O-])cc1Cl 72229539 XJUZRGXLAOTKTI-UHFFFAOYSA-N 404.854 3.261 5 40 HGBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 5788804 CFRBAHGSBVBIMK-UHFFFAOYSA-N 400.416 3.308 5 40 HGBB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)cc1 9467635 SIPCFLHFZLBYLL-UHFFFAOYSA-N 417.365 3.051 5 40 HGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(Nc2ccccc2C)CC1 58167680 QJTGJVMRCXZKRF-UHFFFAOYSA-N 405.476 3.177 5 40 HGBB COc1ccc2cc(CN(C)C(=O)Cn3cc(Cl)cc([N+](=O)[O-])c3=O)ccc2c1 89360966 UTHOALKLSNNPFM-UHFFFAOYSA-N 415.833 3.230 5 40 HGBB COCCN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 56852031 RKOPYSMRUDYBLK-MRXNPFEDSA-N 408.252 3.273 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C)C3 12934805 MSRRNDVMTUVWNI-NSHDSACASA-N 412.471 3.438 5 40 HGBB Cc1cc(C(=O)NCCCCNC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1[N+](=O)[O-] 6271054 CFBDWDFXWIERLH-UHFFFAOYSA-N 414.418 3.060 5 40 HGBB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)c1 6924505 WDAXPHKAGYNKER-UHFFFAOYSA-N 416.415 3.393 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1c(C)cccc1C)S(C)(=O)=O 220378711 KOZDMZROCKDSDC-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB COc1ccc(S(=O)(=O)NC(=O)c2ccc(-c3ccccc3)cc2)c([N+](=O)[O-])c1 59290798 MXISFCFQZGPRHP-UHFFFAOYSA-N 412.423 3.389 5 40 HGBB O=[N+]([O-])c1nn(-c2cc(C(F)(F)F)nc(-c3ccccn3)n2)cc1Br 89883977 XLZPJOZAZTVGHW-UHFFFAOYSA-N 415.129 3.414 5 40 HGBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1 408656515 STMCXCMBEAHWEY-OAHLLOKOSA-N 423.425 3.071 5 40 HGBB O=C1C[C@@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc([N+](=O)[O-])cc1 9669338 DSCPAFUZLWHFBF-GOSISDBHSA-N 412.833 3.194 5 40 HGBB O=C1c2cccc3c(N4CCOCC4)ccc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1 13550206 CIYVPGGHZBIMFP-UHFFFAOYSA-N 418.409 3.208 5 40 HGBB COc1ccc(-n2nc([N+](=O)[O-])c(Nc3ccc(Br)cc3F)[n+]2[O-])cc1 16226438 AHAAQSREHYOEHI-UHFFFAOYSA-N 424.186 3.068 5 40 HGBB Cc1cc(=O)n2c(n1)NC(NCc1ccccc1)=N[C@H]2c1cc([N+](=O)[O-])ccc1Cl 17094125 YBIGXFSOJVWFRU-GOSISDBHSA-N 424.848 3.232 5 40 HGBB COC(=O)C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 32900540 JSTIITRPIWTDPO-AWEZNQCLSA-N 403.460 3.291 5 40 HGBB COc1ccc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)s2)cc1 39762247 GPPPXIGKQSQVMR-UHFFFAOYSA-N 401.360 3.282 5 40 HGBB C[C@H](C(=O)Nc1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57470816 SMTAWUNBEYIRQM-OAHLLOKOSA-N 423.448 3.431 5 40 HGBB CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225029111 WJGOHKZWOUAMNZ-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB COc1ccccc1N1CCN(C(=O)CSCc2cccc([N+](=O)[O-])c2)CC1 408727330 PPYNXBDRLOYVMH-UHFFFAOYSA-N 401.488 3.185 5 40 HGBB COC(=O)c1cccc(NC(=O)c2ccccc2Cn2nc(C)c([N+](=O)[O-])c2C)c1 2796414 AJANSKPMIXTQLV-UHFFFAOYSA-N 408.414 3.495 5 40 HGBB CC(C)C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 22530729 UJHPLUYDQGTKBH-LJQANCHMSA-N 419.503 3.264 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 102629818 KSATXQVGRQIAQY-BLQKSXIESA-N 401.467 3.307 5 40 HGBB CCCCc1noc(COc2cn(-c3ccc([N+](=O)[O-])cc3)nc2C(=O)OCC)n1 32925494 SYQIUFSKLRJTTN-UHFFFAOYSA-N 415.406 3.262 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222556073 YDIGDRFZHTUWTQ-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB C[C@H](CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 224819927 JJLOVMCZIAOLKD-MRXNPFEDSA-N 419.503 3.061 5 40 HGBB CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225079492 SMDQQTADOXIXSK-UHFFFAOYSA-N 406.460 3.224 5 40 HGBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7881676 PBGIHPULAAXAFD-DOTOQJQBSA-N 410.426 3.379 5 40 HGBB COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224779313 BKUQEBMXZRIYJQ-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB NC(=O)c1cc(NC(=O)c2cc(F)cc3c(=O)c4cc(F)ccc4[nH]c23)ccc1F 681959372 VDVFURHGHTVFHV-UHFFFAOYSA-N 411.339 3.450 5 40 HGBB COc1cc(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC(F)F 3489660 GPEVEMIXSIVICP-UHFFFAOYSA-N 410.329 3.309 5 40 HGBB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 6786025 FVYLOAKHPGVOOK-UHFFFAOYSA-N 410.835 3.186 5 40 HGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 7881576 SQBGQSFDQJIACB-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1 8497686 BEZGOALZEMDLSC-UHFFFAOYSA-N 411.867 3.433 5 40 HGBB COc1cc(C(=O)NCCOc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 23142539 HFRKMUQWWKAKSV-UHFFFAOYSA-N 414.336 3.440 5 40 HGBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cccc1[N+](=O)[O-] 44844494 FUDZLGDUSXWZAH-UHFFFAOYSA-N 412.427 3.351 5 40 HGBB CC(=O)c1ccc(N2CCN(C(=O)c3cn[nH]c3-c3ccc([N+](=O)[O-])cc3)CC2)cc1 72328755 KMQUABHGKMFCME-UHFFFAOYSA-N 419.441 3.150 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 220395952 KCGSHTXKDHTCCN-UONOGXRCSA-N 423.466 3.074 5 40 HGBB CS(=O)(=O)N(CCCC(=O)NC1CCCCCCC1)c1cccc([N+](=O)[O-])c1 222365115 IZQBGLVFDOJDKC-UHFFFAOYSA-N 411.524 3.370 5 40 HGBB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2C)c([N+](=O)[O-])n1 7229497 BTDILSIDIPCXIW-UHFFFAOYSA-N 401.810 3.370 5 40 HGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(Br)c(C)n2)cc1[N+](=O)[O-] 17088161 MHSWCWJVWQNJLQ-UHFFFAOYSA-N 409.265 3.496 5 40 HGBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102736314 AFCTZKYPTZBVGN-ZCNNSNEGSA-N 416.393 3.041 5 40 HGBB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 4705339 GOGACJAGKQCXOE-GOSISDBHSA-N 406.402 3.123 5 40 HGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12774823 FIUIGKYUVJXSJA-AWEZNQCLSA-N 417.487 3.140 5 40 HGBB O=C(O)c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 17093764 QVZREULILPUYGL-UHFFFAOYSA-N 424.232 3.182 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 30864733 NSHYNYPPXQZEIP-UHFFFAOYSA-N 417.487 3.471 5 40 HGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 30870478 ZZMHBKFXVBILBZ-AWNIVKPZSA-N 424.438 3.443 5 40 HGBB Cc1c(N2C(=O)CS[C@H]2c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 2315030 REZYKVBAWWFODM-FQEVSTJZSA-N 410.455 3.171 5 40 HGBB CCC[C@@H](C)NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 6945346 GTSYVIGMSRQORR-OAHLLOKOSA-N 405.476 3.095 5 40 HGBB CC(C)c1c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c(=O)n(-c2ccccc2)n1C 24425670 WSQBOMQXOWIFDW-UHFFFAOYSA-N 416.459 3.008 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCCN(CC2CCCCC2)CC1 54318052 FTXVASCLUAHKNY-UHFFFAOYSA-N 404.511 3.130 5 40 HGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 224715209 STSAWCMJMJJQPS-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB COC(=O)c1ccc(C(=O)OC)c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c1 409269144 FYBGBCOITHJLGM-UHFFFAOYSA-N 418.427 3.040 5 40 HGBB O=C(CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] 4908271 WTMGHGRFNIIQDM-AYHJJNSGSA-N 423.473 3.350 5 40 HGBB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1cccc([N+](=O)[O-])c1 9716499 SDVAWOYMWBBSIX-UHFFFAOYSA-N 421.409 3.128 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1[N+](=O)[O-] 17082834 CVDVAUZLOTWQTK-UHFFFAOYSA-N 404.429 3.046 5 40 HGBB COc1ccc(C(=O)Nc2ccc(I)c(C)n2)cc1[N+](=O)[O-] 17089444 YQHLXTBVYVAWTC-UHFFFAOYSA-N 413.171 3.164 5 40 HGBB Cc1c(Cl)cccc1NC(=O)CNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2 17369352 IJKRBRKBDMNOCE-AATRIKPKSA-N 417.805 3.053 5 40 HGBB O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 19316164 RXUPEOSMRLAYCH-CQSZACIVSA-N 403.653 3.206 5 40 HGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](Cc2nccn2C)C1 89553066 PZMRRKWELFZTSM-ZIAGYGMSSA-N 405.886 3.263 5 40 HGBB CC(=O)OCCc1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])c(Cl)cc2C)c1 96011291 INROXBDEQDROIM-UHFFFAOYSA-N 412.851 3.463 5 40 HGBB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409105353 MZEVQVTUTFUIOB-XBDQXEDDSA-N 402.384 3.453 5 40 HGBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-] 4306185 USTZNXHZCDZFMC-QGZVFWFLSA-N 412.494 3.017 5 40 HGBB CC[C@@H](CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccccc1 12795882 NYKODBOVHUPTCS-INIZCTEOSA-N 406.442 3.373 5 40 HGBB CC(C)(C)OC(=O)N1CCC(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)o2)CC1 13038456 MBOGBOICNPVYQO-UHFFFAOYSA-N 417.422 3.230 5 40 HGBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 19594115 WWPWXHXKFQUHKZ-NXIIHZOPSA-N 401.444 3.471 5 40 HGBB COc1ccc(-c2nc(CCNC(=O)COc3ccc([N+](=O)[O-])cc3)cs2)cc1 27993591 URGJRLMSVFYSEO-UHFFFAOYSA-N 413.455 3.465 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 48341593 DPWURXDBHYFSBJ-UHFFFAOYSA-N 408.241 3.500 5 40 HGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 220480763 IPMNOBCSJSDQCH-JTQLQIEISA-N 415.830 3.181 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1C 7322700 GCTXKGDPRFAWKH-OAHLLOKOSA-N 400.460 3.437 5 40 HGBB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1=O 8946253 PIGJRXHNGDVLNY-NRFANRHFSA-N 410.430 3.089 5 40 HGBB CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 9190075 XDMUKHOLAFHHBF-UHFFFAOYSA-N 402.432 3.244 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 4518010 DQYSMJACKIWSIU-UHFFFAOYSA-N 403.441 3.374 5 40 HGBB CCCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)ccc1N1CCOCC1 4711583 OJJRUWGGWMCKHC-UHFFFAOYSA-N 413.430 3.251 5 40 HGBB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@@H]1C 4893276 ORJHMUOYWDPHAQ-RKVPGOIHSA-N 403.479 3.293 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 4895580 ZVAUCKIWTCYKSG-UHFFFAOYSA-N 412.425 3.063 5 40 HGBB CC(C)(C)NC(=O)COc1ccc(CNCCNc2ccc([N+](=O)[O-])cc2)cc1 6858813 FYVAIWZYTBFIHD-UHFFFAOYSA-N 400.479 3.090 5 40 HGBB COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)[nH]2)c1 7342077 SHHVCAMIQPLSLW-UHFFFAOYSA-N 400.416 3.372 5 40 HGBB COC(=O)[C@H](NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 58022998 FDLZFPKQMRBTSQ-DPTHPHEISA-N 419.231 3.401 5 40 HGBB COc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)c([N+](=O)[O-])c1 96347319 RIHCOWWXIVHRRY-UHFFFAOYSA-N 410.411 3.387 5 40 HGBB CCCCOc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 100840992 SKEXRTWFRRASLF-MJGOQNOKSA-N 409.398 3.066 5 40 HGBB COc1ccc(C(=O)O[C@@H](C)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1[N+](=O)[O-] 5640105 FWAGPPXRTXGYJG-VIFPVBQESA-N 403.416 3.436 5 40 HGBB CCCCn1c(=O)c2c(O)c(I)c(=O)oc2c2ccccc21 6757184 KQVHAKWFMXEAHF-UHFFFAOYSA-N 411.195 3.218 5 40 HGBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1N1CCCC1=O 12522451 ZITVBQCHNRIMGC-UHFFFAOYSA-N 424.457 3.119 5 40 HGBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 12903382 BKVLFKLBMWTXMY-VQAKBWMISA-N 409.442 3.496 5 40 HGBB O=C(O[C@H](C(=O)N1CCCCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 19298452 WSVGZPWPRFAKSU-IBGZPJMESA-N 412.398 3.234 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)s1 25053607 UQSMQBPIBYSLRN-CYBMUJFWSA-N 409.489 3.004 5 40 HGBB CN(c1ccc(I)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 55687153 YOHCESILUZUPTL-UHFFFAOYSA-N 418.212 3.025 5 40 HGBB Cc1cc(C2=CCN([C@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1N 72308617 JQFAYRWXASGJKF-CQSZACIVSA-N 424.457 3.330 5 40 HGBB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CCC[C@H]1C 102168586 QSEONKXXOFBSKR-VYDXJSESSA-N 403.479 3.293 5 40 HGBB CCc1cccc(C)c1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220410892 OQZHNBMBOFMCHT-AWEZNQCLSA-N 405.476 3.259 5 40 HGBB CC[C@H](C(=O)Nc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514283 OLQOYPLKNVJQCS-MRXNPFEDSA-N 411.867 3.432 5 40 HGBB O=C(Nc1cc2[nH]c(=O)[nH]c2cc1Br)c1cc([N+](=O)[O-])ccc1Cl 324699204 XHTRMXPBEJRUDS-UHFFFAOYSA-N 411.599 3.433 5 40 HGBB COc1ccc([C@@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 548413486 SOXBAVVOFMLOKK-MRXNPFEDSA-N 405.414 3.370 5 40 HGBB COc1cccc(OC)c1C(=O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1830713 VQXKDMFPSLKITC-OAHLLOKOSA-N 414.478 3.388 5 40 HGBB biogenic O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 3427967 ADSFVRFREZLWOJ-UHFFFAOYSA-N 423.454 3.102 5 40 HGBB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] 9708140 MXOMDWXMJZDRHU-LJQANCHMSA-N 420.425 3.047 5 40 HGBB CC(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])N1CCCC1 12607491 QDENKAGNLBUXRB-HXUWFJFHSA-N 424.567 3.302 5 40 HGBB NC(=O)c1ccc(SCC(=O)N[C@@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])c1 12775548 BLLXWIAIANDFBD-CYBMUJFWSA-N 421.475 3.278 5 40 HGBB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 13946204 KYMSCSXUVWDICG-UHFFFAOYSA-N 405.867 3.370 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 20611775 HKMHRVRFSZDRQM-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB COc1ccc(NC(=O)CNc2cccc(OC[C@H]3CCCO3)c2)c([N+](=O)[O-])c1 40062839 YPYQBUBRUGLZFQ-QGZVFWFLSA-N 401.419 3.212 5 40 HGBB O=C(NCc1ccc(F)cc1)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 48272297 YIKYFWDMINKTBN-UHFFFAOYSA-N 411.437 3.070 5 40 HGBB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 55451918 HNKOZKAQDUDYED-WVBUVRCRSA-N 418.493 3.487 5 40 HGBB CCC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 78933861 ABKTZGOCLYAWEJ-QFBILLFUSA-N 416.522 3.304 5 40 HGBB CC[C@H]1[C@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)[N+]3(CCC=C(C)C)[C@@H]1O 100768813 UKHLKPBTNRMFRJ-LSVQSCFWSA-N 409.594 3.426 5 40 HGBB CCc1ccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222517089 JNKITWCTECJSSM-SFHVURJKSA-N 405.476 3.341 5 40 HGBB COc1ccc(/C=C(\NC(=O)c2cccc([N+](=O)[O-])c2)C(=O)NCc2ccco2)cc1 8722301 JPOSZFIICWZAQP-NDENLUEZSA-N 421.409 3.284 5 40 HGBB CCOC(=O)c1cnn(-c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)c1C 40081873 YCNFVNQIZHDNNE-UHFFFAOYSA-N 424.413 3.283 5 40 HGBB CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc([N+](=O)[O-])cc3C)c(Cl)cc21 223366742 ZBLGHGADMQTVDP-UHFFFAOYSA-N 411.823 3.285 5 40 HGBB O=C(CCOc1ccccc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 4583466 RTMYNWVKWXDYFM-UHFFFAOYSA-N 412.471 3.322 5 40 HGBB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 2440873 XHBITTRYESHDPY-IBGZPJMESA-N 407.426 3.198 5 40 HGBB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cc(Cl)ccc1[N+](=O)[O-] 4107189 NRCQPCRSALAZGK-UHFFFAOYSA-N 402.750 3.322 5 40 HGBB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)[C@@H]1C 4893287 ORJHMUOYWDPHAQ-IIDMSEBBSA-N 403.479 3.293 5 40 HGBB CCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7882606 QOZWMAYMGITYJK-HNNXBMFYSA-N 411.414 3.153 5 40 HGBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@H](c2ccccc2Cl)n2nnnc2N3)c1 10296512 MJDGJSFBUFFDAW-INIZCTEOSA-N 422.792 3.092 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Cl 15638230 XTDOYIAQADUQCY-CYBMUJFWSA-N 403.822 3.409 5 40 HGBB CN(C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)C1CCCC1 22534587 GXJZUNCHIXYPEV-UHFFFAOYSA-N 417.487 3.191 5 40 HGBB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 56945179 ODNIOBJJKQDIJX-OAQYLSRUSA-N 420.469 3.481 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)N2CCCC2)c1 408589098 DPULCHKWPHIISU-UHFFFAOYSA-N 403.460 3.248 5 40 HGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)N1CCCCCC1 4714200 BLORPVVMOWUZHX-UHFFFAOYSA-N 417.487 3.193 5 40 HGBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7881677 PBGIHPULAAXAFD-WBVHZDCISA-N 410.426 3.379 5 40 HGBB O=C(COC(=O)CCC(=O)Nc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 8413729 CTAMVUBFNKJZEM-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 8475197 VGIPATSDYYHESH-MOXGXCLJSA-N 419.437 3.349 5 40 HGBB Cc1ccc(Cl)cc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10434360 QZNDKCGNWAWEMT-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB Cc1ccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12776284 QRKOUCJFSKZHMY-UHFFFAOYSA-N 417.487 3.008 5 40 HGBB CN(C)CC(C)(C)CNc1ccc(S(=O)(=O)Nc2ccccc2)cc1[N+](=O)[O-] 13038957 CBDYVRBGQPRSEF-UHFFFAOYSA-N 406.508 3.395 5 40 HGBB Cc1c(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cccc1[N+](=O)[O-] 15790641 CXIHGUMKPOHTGM-UHFFFAOYSA-N 400.479 3.500 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@H](C)CC(=O)c1ccccc1F 95962755 JIKADDNDGWLBSJ-CYBMUJFWSA-N 402.378 3.433 5 40 HGBB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccccc2[N+](=O)[O-])CCO1 96118374 UKHFDAHBTFYATG-MEDUHNTESA-N 418.475 3.402 5 40 HGBB Cn1c(=O)c2ccc3c4ccc5c(=O)oc(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 104218147 CKXUJYSENMCNSX-UHFFFAOYSA-N 405.365 3.292 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 220379647 YWVNZJXOLDJIQH-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB C[C@H]1C[C@@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)O1 32736579 FZGVUKLDWOTVFV-ZUZCIYMTSA-N 416.352 3.077 5 40 HGBB O=C(N1CCN(c2ccc([N+](=O)[O-])cn2)CC1)C1(c2cccc(Cl)c2)CCC1 65492967 WZDMYPPSSIBEMG-UHFFFAOYSA-N 400.866 3.414 5 40 HGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCNS(=O)(=O)c1ccccc1 4091546 GXCUFWQWJYFYBK-UHFFFAOYSA-N 403.382 3.394 5 40 HGBB COc1ccc(C(=O)OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4846307 KYHOSGJGSMSDJR-ZHHULCEESA-N 416.474 3.481 5 40 HGBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(Cc2ccc3c(c2)CCO3)CC1 24209643 BNQYLPKVXMTWOH-UHFFFAOYSA-N 401.850 3.141 5 40 HGBB CCOC(=O)c1ccc(OC[C@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)cc1 48299694 UIFBNUIYRUUXBG-GOSISDBHSA-N 411.414 3.075 5 40 HGBB O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1cccc([N+](=O)[O-])c1 56949887 OZQFKTKQGAYXLF-UHFFFAOYSA-N 421.453 3.449 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccccc2Cl)cc1[N+](=O)[O-] 408664409 QQEBVEBTUGLDRS-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB COCc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccc([N+](=O)[O-])cc2)cc1 540334091 VVSMQLRGYODDFK-UHFFFAOYSA-N 402.432 3.036 5 40 HGBB CCOC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 898388 ZRZFFVAKWKTLLS-WFASDCNBSA-N 406.464 3.076 5 40 HGBB COC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCCC2 995848 HVDDCHZNOBBDCN-UHFFFAOYSA-N 406.464 3.164 5 40 HGBB CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC 5213253 ZHYPXEAPKNEDJG-GFCCVEGCSA-N 418.402 3.195 5 40 HGBB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 10252688 GTRKSBQHGTYKRM-UHFFFAOYSA-N 423.497 3.365 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 13590483 LJRAENNWACDRLS-INIZCTEOSA-N 424.291 3.113 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)nc1 17087637 JCOKOSYWZUBNAA-UHFFFAOYSA-N 407.342 3.403 5 40 HGBB Cc1n[nH]c(C)c1N1C(=O)c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C1=O 408536438 WMCNYMAGMGXFFU-UHFFFAOYSA-N 405.414 3.489 5 40 HGBB COc1ccc([C@H]2CCCN2S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 15334089 RUTAOQQOMQZMJF-MRXNPFEDSA-N 422.459 3.146 5 40 HGBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 15396861 CWPOCEUQWYTNCO-UHFFFAOYSA-N 411.439 3.429 5 40 HGBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(F)cc1 16384040 VNSLROMHMDEXCA-UHFFFAOYSA-N 422.869 3.224 5 40 HGBB Cc1c(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 24562365 PHCJSYAINZHZMF-GOSISDBHSA-N 400.822 3.206 5 40 HGBB Cc1cc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)ccc1-n1cnnn1 29106518 UBLWGSSCKZYGQN-UHFFFAOYSA-N 410.437 3.078 5 40 HGBB CCc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 55530592 JLXAEPZUMLZMLJ-UHFFFAOYSA-N 419.485 3.466 5 40 HGBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 57333380 UPALRFSIWHNKLB-UHFFFAOYSA-N 419.821 3.124 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Cl)c1cccc([N+](=O)[O-])c1 222684158 SANKKFWSZURVCN-UHFFFAOYSA-N 411.867 3.433 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 223762047 MUHGJMZPDZFAJW-UHFFFAOYSA-N 408.823 3.085 5 40 HGBB COc1cc(C(C)=O)ccc1Oc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9119647 KHVJTMRAFIKFCL-UHFFFAOYSA-N 420.443 3.383 5 40 HGBB C[C@@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O)c1ccccc1 9763417 IOUGIFUUGWXXSF-FOIQADDNSA-N 405.410 3.058 5 40 HGBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2cccc(Cl)c2)CC1 25861563 ZMDLWZIJOJADQV-UHFFFAOYSA-N 419.890 3.325 5 40 HGBB C[C@H](C(=O)NC1CCCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 57517107 CIJCUAFFKGEBCR-CYBMUJFWSA-N 414.428 3.183 5 40 HGBB Cc1cc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 108375359 YMDLSHALTRZRRG-LDDOYCOJSA-N 411.462 3.218 5 40 HGBB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 4840015 OAGVMVPFBCQFTK-HOTGVXAUSA-N 403.479 3.246 5 40 HGBB COc1cc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc(OC)c1OC 10010576 LXKUNQXXEUFHCG-UHFFFAOYSA-N 419.415 3.491 5 40 HGBB Cc1nc2ccccc2c2c(NC(=O)CCN3C(=O)CCC3=O)c3ccccc3n12 29764444 WMMKDVOCDBISSG-UHFFFAOYSA-N 400.438 3.427 5 40 HGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(C(C)(C)C)no1 46761181 QCDURQOZDUNLLU-UHFFFAOYSA-N 415.406 3.217 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220648612 UHXCZMCCBNLXSS-KRWDZBQOSA-N 421.475 3.095 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)Cc1cccc(OC)c1OC 3403387 YIVLJDZAIJIBPG-ZDUSSCGKSA-N 403.435 3.080 5 40 HGBB CN(C)C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15446842 BPXYTTPHJPXLLV-IBGZPJMESA-N 402.882 3.200 5 40 HGBB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4063153 XRSOWPOLWWFIHE-UHFFFAOYSA-N 411.443 3.202 5 40 HGBB COc1cccc(NC(=O)CN(C)[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 6638262 RYGULGIHTJFBFS-GFCCVEGCSA-N 420.853 3.154 5 40 HGBB C[C@H]1CN(Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C[C@@H](C)O1 12594655 CAYFJPJYHVTMKM-OKILXGFUSA-N 419.507 3.101 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 13898067 LPPHGTYINLBCOG-UHFFFAOYSA-N 410.795 3.292 5 40 HGBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccccc1Br 20154225 PDNUGECHFPKUEX-UHFFFAOYSA-N 405.252 3.019 5 40 HGBB CCCCC(=O)NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O 98087102 QUEGIUJTLGCMDU-UHFFFAOYSA-N 420.219 3.328 5 40 HGBB Cc1ncc([N+](=O)[O-])n1CCO[C@@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 844857 IFBWEKPJYMXQBC-CQSZACIVSA-N 421.668 3.243 5 40 HGBB Cc1ccc2c(C)c(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])c(=O)oc2c1 9916858 BHFFMKLNQOQFTR-UHFFFAOYSA-N 409.442 3.479 5 40 HGBB CC(C)NS(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 12769936 QUEULIYDYLHEOO-UHFFFAOYSA-N 404.404 3.124 5 40 HGBB COc1ccc(O)c(C(=O)c2cc(Cl)c3nc4cc(C(=O)O)ccc4c(=O)n3c2)c1 14170924 MMJCFCRSVNFVEV-UHFFFAOYSA-N 424.796 3.145 5 40 HGBB COC(=O)c1cc(C(=O)OCc2ccc(OC(F)F)c(OC)c2)cc([N+](=O)[O-])c1 22874770 WBMMWMDVOSCGKR-UHFFFAOYSA-N 411.313 3.348 5 40 HGBB CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)c1nc2sccn2c1[N+](=O)[O-] 40155568 MNPQQFYPQRWGOI-LLVKDONJSA-N 416.381 3.199 5 40 HGBB CCc1cc(N(CCC(=O)OC)C[C@@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282885 VLDMEBZHJYVEDH-SFHVURJKSA-N 414.462 3.163 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccccc1Cl)S(C)(=O)=O 220379550 OAYJUSSCHCHPPY-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB COc1ccc(C)cc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220385165 HECPBOMFLOMNFZ-CQSZACIVSA-N 421.475 3.013 5 40 HGBB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395672 SQCMYQLCWQDXMB-JKSUJKDBSA-N 419.503 3.244 5 40 HGBB CCOc1ccccc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222684757 PEAFFOHQJVZTPQ-UHFFFAOYSA-N 421.475 3.178 5 40 HGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408679969 FQELNGGOUIPYJL-XPGWFJOJSA-N 419.437 3.349 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Oc2ncnc3sccc23)c([N+](=O)[O-])c1 9612773 RDDGXTYLZKBBFL-UHFFFAOYSA-N 408.461 3.422 5 40 HGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(C(F)(F)F)cc3)CC2)cc1 25344120 HXULQPKPCDJJKC-UHFFFAOYSA-N 415.393 3.125 5 40 HGBB C[C@@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 26442103 MUDJQPAOZSVRNS-KUHUBIRLSA-N 414.414 3.337 5 40 HGBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223592123 SXMUFNMQYGUXPA-MOPGFXCFSA-N 410.455 3.215 5 40 HGBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2N2CCCCC2)sc2nc3ccccc3n12 408998148 IEOCHBGCGMFFKN-CPNJWEJPSA-N 406.467 3.355 5 40 HGBB COC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCCCC2 3563319 ZVHKPBOGOTZELD-UHFFFAOYSA-N 422.415 3.100 5 40 HGBB Nn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 12655953 YLDVFKSRNGQUIT-UHFFFAOYSA-N 422.829 3.090 5 40 HGBB CC(C)C[C@@H](CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])N(C)C 12796988 DONIRMDJVCRFNG-AWEZNQCLSA-N 400.545 3.060 5 40 HGBB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(NC3CC3)c([N+](=O)[O-])c2)cc1 24596945 XNNDEWUADAKOMP-UHFFFAOYSA-N 405.414 3.386 5 40 HGBB CCOc1ccccc1N1CCN(Cc2nc(-c3ccc([N+](=O)[O-])cc3)no2)CC1 32935708 WDYXEWFEKMBWDP-UHFFFAOYSA-N 409.446 3.366 5 40 HGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Sc1nccn1C 58342900 UZZZXELOUIURIA-UHFFFAOYSA-N 420.472 3.289 5 40 HGBB COc1cccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222372652 LWWCVBOUOFKOOD-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 409216758 LFGGEVNIYBOLNC-WQRHYEAKSA-N 423.450 3.216 5 40 HGBB O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CCc2c(nnn2-c2ccccc2)C1 572608099 UQNYLXJXTLBWLM-UHFFFAOYSA-N 421.460 3.461 5 40 HGBB Cn1c(COc2ccc([N+](=O)[O-])cc2)c(Br)c(=O)n1-c1ccccc1 2539529 QXZATGLSLUUDCR-UHFFFAOYSA-N 404.220 3.426 5 40 HGBB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)c([N+](=O)[O-])c1 4545064 IJXXDVRLNLZFCY-VZJWBNGJSA-N 417.421 3.467 5 40 HGBB O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N1CCCCCC1 8181510 SRKIFEHNZCEJKX-UHFFFAOYSA-N 403.460 3.412 5 40 HGBB Cc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 13847286 OEPUVNZDRGUJBU-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB Cn1ccnc1C(=O)c1ccc(NCCCc2nc3ccccc3n2C)c([N+](=O)[O-])c1 72307703 RFBHPMUGTZSFIQ-UHFFFAOYSA-N 418.457 3.491 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(Cl)c1 218250052 CRBTXMZMIOQQKH-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 409180551 WWKFHBVLKNLDJN-UHFFFAOYSA-N 406.778 3.255 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 100744067 LXJDECQUUSHPCJ-BIPCEHGGSA-N 406.394 3.350 5 40 HGBB CCOc1ccc(C[C@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)C(=O)OC)cc1 58085779 QPJRMIUPYZJKMA-CQSZACIVSA-N 406.460 3.125 5 40 HGBB COCCN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 56852030 RKOPYSMRUDYBLK-INIZCTEOSA-N 408.252 3.273 5 40 HGBB CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408568295 SXNKMHKJAAVMSL-HWLQVEPHSA-N 423.469 3.148 5 40 HGBB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 100570960 PRLPYKHNRWKELD-KODHJQJWSA-N 404.378 3.126 5 40 HGBB O=[N+]([O-])c1ccn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)n1 2731541 LQYKQGZZAOMTPV-UHFFFAOYSA-N 416.854 3.333 5 40 HGBB O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)Nc1ccc(F)cc1 57534919 MZCKVEJUESPREX-UHFFFAOYSA-N 415.450 3.104 5 40 HGBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)NCC(F)(F)F 8945743 ZWULPNLJHNRLFJ-UHFFFAOYSA-N 406.700 3.344 5 40 HGBB CCOc1ccc2nc(NC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)sc2c1 6270955 IHKVJFFFQRRBNF-UHFFFAOYSA-N 414.443 3.362 5 40 HGBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225576036 RNAIXPVGIQJPFL-HNNXBMFYSA-N 401.438 3.218 5 40 HGBB COc1ccc2sc(N(CCN(C)C)C(=O)c3cccc([N+](=O)[O-])c3)nc2c1 5121499 NEESSVWPJNAZLT-UHFFFAOYSA-N 400.460 3.422 5 40 HGBB Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 6965956 AIHMHVRGIUZTNG-UHFFFAOYSA-N 418.906 3.394 5 40 HGBB Cc1ccc(SCCNC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1 14804001 KJJDCYXKKQOIJS-UHFFFAOYSA-N 415.471 3.500 5 40 HGBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O 408963124 MUFNXTSAEFCYIK-SXGWCWSVSA-N 413.411 3.284 5 40 HGBB CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 36393665 JNNLXSSGDMYYSX-FQEVSTJZSA-N 410.474 3.023 5 40 HGBB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])ccc1Cl 245225476 VWVHWFQLQCLAOX-GDBMZVCRSA-N 423.878 3.159 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1 5137716 LWCMHMCIOBWXRU-UHFFFAOYSA-N 407.448 3.378 5 40 HGBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O 8549486 JSPNDSSCHDJZKE-FQEVSTJZSA-N 421.453 3.425 5 40 HGBB Cc1ccc([C@@](O)(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 40087166 GVBYRVVBZMISOP-KRWDZBQOSA-N 415.368 3.255 5 40 HGBB Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 408564225 WJBOYEDXDJHIFE-SFHVURJKSA-N 423.347 3.170 5 40 HGBB O=[N+]([O-])c1ccccc1CSc1nnc(CN2CCOCC2)n1-c1ccccc1 409210070 HXFHZDOCIJBIDU-UHFFFAOYSA-N 411.487 3.300 5 40 HGBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])o1 409316453 XUMUCYWEMSREBN-UTCJRWHESA-N 400.303 3.143 5 40 HGBB O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 672976260 RYYXBDMYJJNYNV-VWLOTQADSA-N 409.445 3.417 5 40 HGBB COc1ccc(OCc2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)n2C)cc1 6223891 MBDRLEKRYKSKDB-UHFFFAOYSA-N 414.443 3.286 5 40 HGBB O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 10619098 GTDGNHHWJBHSBL-UHFFFAOYSA-N 423.497 3.333 5 40 HGBB O=C(CSc1ccc([N+](=O)[O-])cc1)NCc1nnc2ccc(C(F)(F)F)cn12 12928374 YXSVUUNPEQATBW-UHFFFAOYSA-N 411.365 3.065 5 40 HGBB COCCCN1C(=O)c2ccc(C(=O)O[C@@H](C)c3cccc([N+](=O)[O-])c3)cc2C1=O 25723120 ZLXOSJDITCOOLW-ZDUSSCGKSA-N 412.398 3.145 5 40 HGBB O=C(NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O)c1csc([N+](=O)[O-])c1 40140478 JJHICYJHURFNIZ-QPEQYQDCSA-N 421.431 3.262 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc(Cl)c1Cl 15945980 FYAQKPRZMOATFI-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2O)nnc1-c1ccccc1O 409412311 HYJQNYUIFZVXBA-UHFFFAOYSA-N 415.431 3.015 5 40 HGBB Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 845094 LELQDFQGTUMUFA-UHFFFAOYSA-N 406.464 3.244 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] 2661206 SFOPIDFWURCMGC-UHFFFAOYSA-N 418.452 3.479 5 40 HGBB CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c(=O)oc1C(F)(F)F 9453205 MBUUDKNNMJPRSN-UHFFFAOYSA-N 414.292 3.304 5 40 HGBB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14896052 AJGMPXNORQLZFW-UHFFFAOYSA-N 417.849 3.372 5 40 HGBB CCc1ccccc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17089880 PKXDOKQHRVKAAT-UHFFFAOYSA-N 414.487 3.121 5 40 HGBB COc1cc(N(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c(OC)cc1Cl 224790834 BOLDVMPYTSKSME-UHFFFAOYSA-N 400.840 3.399 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)c(Cl)c1 409025874 ZDJLARCZSPHFEO-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB CCOC(=O)c1sc2ncnc(NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C 15207187 QVQISZVWAQDMDV-CYBMUJFWSA-N 402.432 3.230 5 40 HGBB O=C(OCc1ccccc1[N+](=O)[O-])c1ccc(S(=O)(=O)NCc2ccco2)cc1 25114346 YBIVDCZOXOISAZ-UHFFFAOYSA-N 416.411 3.023 5 40 HGBB O=c1c(Nc2ccc([N+](=O)[O-])cc2)cc(S(=O)(=O)c2ccccc2)c2n1CCC2 26896882 JQQVWQJSKRBUAM-UHFFFAOYSA-N 411.439 3.279 5 40 HGBB O=C(O[C@H]1C[N+]2(Br)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 1688449 LBQSJEBSLPOUEZ-DWVUQKNYSA-N 417.323 3.385 5 40 HGBB in-vitro CCCOC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 6246234 GHLYBQFCOBGIAY-UHFFFAOYSA-N 413.430 3.251 5 40 HGBB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1C 7814842 YHMVDTVAJOGGNG-UHFFFAOYSA-N 405.476 3.494 5 40 HGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(C)cc1 9010325 CEKNFNQADGYGGA-NTMALXAHSA-N 409.398 3.450 5 40 HGBB CN(C)C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 15446843 BPXYTTPHJPXLLV-LJQANCHMSA-N 402.882 3.200 5 40 HGBB COc1cc(-c2nnc3sc(-c4ccc([N+](=O)[O-])cc4)nn23)cc(OC)c1OC 21260798 IXGAGLXUQBXWHA-UHFFFAOYSA-N 413.415 3.454 5 40 HGBB COc1ccc2c(c1)c(C(=O)CN1CCN(c3ccc([N+](=O)[O-])cc3)CC1)c(C)n2C 36108842 RRVICDMQRFPCHZ-UHFFFAOYSA-N 422.485 3.408 5 40 HGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCN(CCSc2ccccc2)CC1 36397126 GQQHWYHXDQKDMP-UHFFFAOYSA-N 401.488 3.296 5 40 HGBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223628536 DGBKIUYOSLNIID-PMACEKPBSA-N 423.498 3.135 5 40 HGBB Cc1noc(CC(Cc2onc(C)c2[N+](=O)[O-])c2ccc3c(c2)OCO3)c1[N+](=O)[O-] 2125270 JZLXHASUBNGMPW-UHFFFAOYSA-N 416.346 3.394 5 40 HGBB COc1cc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc(OC)c1OC 2468580 SHBCXEOFDCFFQV-JLTOFOAXSA-N 415.402 3.390 5 40 HGBB CCn1c(=O)n(CCC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 10903983 VXFQFVCVAOZXIB-UHFFFAOYSA-N 416.865 3.433 5 40 HGBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 16196528 ZUKPPSIBOIARJR-CYBMUJFWSA-N 400.456 3.447 5 40 HGBB COC(=O)c1cc(N2CCN(c3ccc(C(F)(F)F)cn3)CC2)ccc1[N+](=O)[O-] 29321986 NJJQZYJNNVJSPJ-UHFFFAOYSA-N 410.352 3.122 5 40 HGBB O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCC(=O)c1cc2ccccc2o1 2629990 YCDYUTYWRSXLIV-UHFFFAOYSA-N 416.773 3.150 5 40 HGBB CCOc1ccc(N(CCCCO)C(=O)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 4699973 RKUFTSPZHWTHDE-UHFFFAOYSA-N 401.419 3.122 5 40 HGBB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccc([N+](=O)[O-])cc1 4705337 YCNIXFFBCNOUFC-GOSISDBHSA-N 406.402 3.123 5 40 HGBB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 5178948 BFMBFZCCBYNKNT-IBGZPJMESA-N 407.426 3.198 5 40 HGBB COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 9601326 RMQYRUXWOFSTML-UHFFFAOYSA-N 420.809 3.127 5 40 HGBB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 12285043 ITXYIXPTXSUDIU-UHFFFAOYSA-N 404.342 3.489 5 40 HGBB CC(C)C[C@H](CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])N(C)C 12796991 DONIRMDJVCRFNG-CQSZACIVSA-N 400.545 3.060 5 40 HGBB CCc1c(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)cnn1-c1ccc([N+](=O)[O-])cc1 33009982 OVOAGWJZUDGSTP-UHFFFAOYSA-N 413.821 3.348 5 40 HGBB COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225084921 LQYLLBHSNNNOCB-UHFFFAOYSA-N 416.814 3.064 5 40 HGBB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408531962 PHBHHVBGSZUWFK-UHFFFAOYSA-N 414.378 3.183 5 40 HGBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 537481994 MMUATISNQGPIGL-IBGZPJMESA-N 410.430 3.080 5 40 HGBB CCCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2)ccc1N1CCOCC1 4711636 BTXQRJBOXBWRSL-UHFFFAOYSA-N 413.430 3.251 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)CCC(=O)c1ccccc1 7395893 CQIYXHFRDHDUID-ZDUSSCGKSA-N 400.387 3.137 5 40 HGBB Cn1cc(CN2C[C@H](O)C[C@H]2c2nc(-c3cccc([N+](=O)[O-])c3)no2)c2ccccc21 15674877 FTNPTCBBWHVABB-XLIONFOSSA-N 419.441 3.444 5 40 HGBB biogenic,in-vitro CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1 32999534 PFFNWSFRXFGKRD-AWNIVKPZSA-N 410.430 3.054 5 40 HGBB CN(C)CCCN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1cc([N+](=O)[O-])cn1 48332801 RGWNQELSQAQXRN-UHFFFAOYSA-N 414.293 3.079 5 40 HGBB Cc1ccccc1[C@@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 10810189 BMKDEWUVLGABDR-OAHLLOKOSA-N 405.476 3.097 5 40 HGBB COc1cc(C(=O)NCCn2c(C)nc3ccccc32)c([N+](=O)[O-])cc1OC(F)F 25963189 PMMDWXKRNDQJOQ-UHFFFAOYSA-N 420.372 3.293 5 40 HGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 40071023 FGYUWURNVOFKSG-UHFFFAOYSA-N 421.375 3.141 5 40 HGBB CC[C@@H](C(=O)NCc1ccccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534348 AIBKFDMQWSEHMI-SFHVURJKSA-N 419.503 3.073 5 40 HGBB C[C@@H]1CCN(C(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)c2ccccc2S1 57585520 XUQPSVAZTQDUHB-CQSZACIVSA-N 416.503 3.328 5 40 HGBB CN1CCN(c2cc(NC(=O)COc3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1 72229605 ZJKGXFYEILYBRN-UHFFFAOYSA-N 404.854 3.018 5 40 HGBB COc1cc(OCC(=O)NCc2ccccc2CN2CCCCC2)ccc1[N+](=O)[O-] 224841874 RGFAHNOKYTTYIP-UHFFFAOYSA-N 413.474 3.285 5 40 HGBB Cc1cccc(C)c1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222683730 KDUCFQZPNWWYOJ-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 16450415 UZJRANWOOPCKHU-UHFFFAOYSA-N 415.431 3.230 5 40 HGBB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2)c1 19928927 HZFCDPFYMILNEJ-UHFFFAOYSA-N 415.431 3.128 5 40 HGBB Cc1cccc2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)nc12 22998200 UJLUFSUMTWAXEV-UHFFFAOYSA-N 416.459 3.085 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220508112 CXECUIMJQNDUGW-QGZVFWFLSA-N 421.475 3.095 5 40 HGBB O=C(O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225041455 FXBWQFYIAHLNAN-UHFFFAOYSA-N 420.443 3.196 5 40 HGBB CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225079141 GRCIMKZXXWWORW-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1csc(-c2cccc(F)c2)n1 5137712 BANMHXUWBOTOLI-UHFFFAOYSA-N 407.448 3.378 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 32795461 DZXBLOZSZGFJLE-QGZVFWFLSA-N 411.439 3.372 5 40 HGBB CCCCn1/c(=N\C(=O)CC(C)C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103628209 NJQLNWUGKGGXKH-DAFNUICNSA-N 424.501 3.099 5 40 HGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)CC 103628736 JWJIRUIMQQHBLH-DAFNUICNSA-N 422.485 3.168 5 40 HGBB COc1ccc(-c2noc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)n2)c(OC)c1 217878482 YBWARGPZPXVSJA-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB CCc1cccc(CC)c1N1C[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 408657462 UGVHAPSLIODWGG-GOSISDBHSA-N 424.453 3.499 5 40 HGBB CCn1nc(C)c(CN(C)C(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)o2)c1C 2777902 ALFCPQYRLUWSPE-UHFFFAOYSA-N 414.466 3.155 5 40 HGBB Cc1cc(C)c(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 5693254 JTOLPNYOQFPMLP-UHFFFAOYSA-N 412.442 3.396 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10363527 JXEPELFSSYVATP-CQSZACIVSA-N 421.475 3.013 5 40 HGBB O=C1C[C@@H](C(F)(F)F)N(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2N1 21315139 IHSBJLFRNAQMTB-HNNXBMFYSA-N 409.320 3.280 5 40 HGBB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225072748 QKLPPSCRZAUSNQ-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB COc1ccc([C@@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCCC2)cc1 5689677 HYQMGJHJXJARKC-HXUWFJFHSA-N 419.503 3.256 5 40 HGBB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(F)c([N+](=O)[O-])c1 5936285 IXWFPSNNJNKFBE-UHFFFAOYSA-N 401.375 3.035 5 40 HGBB NC(=O)c1ccc(SCC(=O)N[C@H]2CCSc3c(F)cccc32)c([N+](=O)[O-])c1 12775553 BLLXWIAIANDFBD-ZDUSSCGKSA-N 421.475 3.278 5 40 HGBB CCOc1cc2c(cc1OCC)CN(Cn1c(=O)oc3ccc([N+](=O)[O-])cc31)CC2 32770198 TWOMHQKEZDLOMT-UHFFFAOYSA-N 413.430 3.316 5 40 HGBB CCOc1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220380467 QHIZCRUHCDKZQU-CQSZACIVSA-N 421.475 3.095 5 40 HGBB C[C@@H]1CN([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 16790845 NYFHBIAJUKMRKB-GPCCPHFNSA-N 410.685 3.130 5 40 HGBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(N(C)C)cc1[N+](=O)[O-] 19204756 ZZHCJKUNCQSQQA-UHFFFAOYSA-N 417.462 3.022 5 40 HGBB CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] 31071109 XAGUWZDMRMIKKC-MRXNPFEDSA-N 410.423 3.095 5 40 HGBB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 58451812 KMCPBHDVLVNDHY-UHFFFAOYSA-N 422.894 3.479 5 40 HGBB O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 103559244 VKJQQNNZECEUED-DZGCQCFKSA-N 406.181 3.194 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cn2c3c(cc(Br)cc3c1=O)CC2 223101531 BHCHOPISIUEALX-UHFFFAOYSA-N 414.215 3.481 5 40 HGBB CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224751556 AYRIBSAQTNWCDK-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1 225823312 BDBZEVYGGIMAON-UHFFFAOYSA-N 401.444 3.003 5 40 HGBB COc1ccc(-c2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)o2)c([N+](=O)[O-])c1 409345203 KFKCLOMKTUYZMN-DAXSKMNVSA-N 400.303 3.143 5 40 HGBB Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 1429552 XLUIBBDMTUPYHP-OAHLLOKOSA-N 416.393 3.278 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(F)c(Cl)c1)S(C)(=O)=O 10369093 GYOHQJKRVVXHCS-UHFFFAOYSA-N 415.830 3.100 5 40 HGBB COc1ccc(C2=N/C(=C\c3csc(-c4ccccn4)n3)C(=O)O2)cc1[N+](=O)[O-] 44252483 DWCFKCODFJVHGQ-ZROIWOOFSA-N 408.395 3.466 5 40 HGBB CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 100744749 KIPHTHYSVQAMJV-DZZVYKPMSA-N 417.573 3.270 5 40 HGBB O=C(O)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1 214996236 YGTGWDJBNZATGU-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB O=C(NC1CCCCC1)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 4551090 CDWOQYBFMWFVAI-GOSISDBHSA-N 417.849 3.283 5 40 HGBB CCCOC(=O)c1cc(NC(=O)c2ccccc2[N+](=O)[O-])ccc1N1CCOCC1 4749052 ARFCXQZGVBQOSA-UHFFFAOYSA-N 413.430 3.251 5 40 HGBB CC(C)c1ccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 6552894 DFTBESNYZCJDMX-UHFFFAOYSA-N 405.476 3.483 5 40 HGBB CCn1c(S[C@H](C)c2cccc([N+](=O)[O-])c2)nc2cc(S(N)(=O)=O)ccc21 7177664 MHCVFGZVORYNIF-LLVKDONJSA-N 406.489 3.465 5 40 HGBB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 14404680 BAKGBCSHIWAZSL-UHFFFAOYSA-N 424.373 3.348 5 40 HGBB CC(C)n1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc21 101174927 VPJBMWFMFOVBHE-UHFFFAOYSA-N 421.888 3.293 5 40 HGBB COc1cc(OCC(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1[N+](=O)[O-] 219822789 CIRWKMRXKBORSU-UHFFFAOYSA-N 419.865 3.293 5 40 HGBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(Nc3cccc(CO)c3)c([N+](=O)[O-])c2)C1 7981454 IGPYPLSLOMXWFY-GJZGRUSLSA-N 419.503 3.497 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 8416307 AUQBLUWTPYQCLW-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB O=C(c1ccc(Br)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2F)CC1 4117386 OJLRKSMYFWBXBL-UHFFFAOYSA-N 408.227 3.459 5 40 HGBB CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@H](C(=O)Nc1cc(C)on1)c1ccccc1 12557947 GTJXIXSUVZLBJP-SFHVURJKSA-N 410.386 3.470 5 40 HGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CCNc1ncc(C(F)(F)F)cc1Cl 20385685 HWVOQMRDROJRBD-UHFFFAOYSA-N 414.727 3.370 5 40 HGBB Cc1c(-n2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)c(=O)[nH]c2ccccc12 57964143 KKUZHGARJMLPIE-UHFFFAOYSA-N 417.425 3.044 5 40 HGBB Cc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n(CC(C)C)c2=N)c1 100707409 UIYJAGPZUIBCLW-UHFFFAOYSA-N 401.470 3.345 5 40 HGBB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220421448 XTVMSGXNYREHPP-HOTGVXAUSA-N 419.503 3.244 5 40 HGBB CCN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1)S(=O)(=O)CC 222395874 PFSKUAKGOFCVOF-UHFFFAOYSA-N 407.448 3.032 5 40 HGBB CCc1nnc(S/C(=C\c2cc(Br)cc([N+](=O)[O-])c2O)C(=O)O)o1 408631577 KLPMUIIPCZMDFW-WTKPLQERSA-N 416.209 3.226 5 40 HGBB O=C(Oc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 4593050 PRLPYKHNRWKELD-FTUNRGFVSA-N 404.378 3.126 5 40 HGBB Cc1ccc(NC(=O)Cc2c(C)nc3nc(C(F)(F)F)nn3c2C)cc1[N+](=O)[O-] 12776876 LTBRHDFIXXYVDP-UHFFFAOYSA-N 408.340 3.158 5 40 HGBB Cn1c(=O)nc2n(-c3cccc(C(F)(F)F)c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497861 QAFGADLRCKWZMJ-UHFFFAOYSA-N 416.315 3.116 5 40 HGBB CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225005328 BFWXXIPWPCKSLC-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408554817 UPUISHHRRBWMPD-AWEZNQCLSA-N 413.455 3.362 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 409156832 UTCFIQNRRSRINV-OQLLNIDSSA-N 401.375 3.409 5 40 HGBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccco1 2247114 QUYGKMTWKXBZKI-HNNXBMFYSA-N 415.453 3.423 5 40 HGBB CCC1CCC2(CC1)NC(=O)N(CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)C2=O 6218501 VINPFSSZBRVWDH-UHFFFAOYSA-N 408.842 3.078 5 40 HGBB COc1cc2nc3c(Cl)cc(C(=O)c4ccccc4O)cn3c(=O)c2cc1OC 9114659 ZZMVUIZANQJRHH-UHFFFAOYSA-N 410.813 3.455 5 40 HGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O 12544634 QLECMRKXHNUWMT-LJQANCHMSA-N 415.356 3.307 5 40 HGBB CSc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] 12938955 ULYKVFUYULOFQP-SFHVURJKSA-N 415.515 3.428 5 40 HGBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)Nc1cccc([N+](=O)[O-])c1 27489751 ULLSNDDEPHKPQK-UHFFFAOYSA-N 419.444 3.496 5 40 HGBB Cc1c(F)cc(C(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1[N+](=O)[O-] 40140114 ROBCASARWWRFBB-UHFFFAOYSA-N 409.420 3.308 5 40 HGBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc2ccccc2c1 225061569 GHWQPTCFFYYHHC-UHFFFAOYSA-N 414.439 3.425 5 40 HGBB CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225412652 ROQDYIHCXBKPMX-AWEZNQCLSA-N 419.478 3.130 5 40 HGBB CC(C)C(=O)N[C@@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 2702028 JSCDKWAIJWZBJI-NSHDSACASA-N 400.602 3.350 5 40 HGBB COc1cc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 218050281 WGQWEDWFGYSGQX-UHFFFAOYSA-N 406.460 3.170 5 40 HGBB COc1ccc(/C=C/C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1OC 6406400 WXLLEWBGDVVVQA-GQCTYLIASA-N 401.371 3.235 5 40 HGBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1 59502230 FKBJQIIYZXDWDW-UHFFFAOYSA-N 401.378 3.495 5 40 HGBB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224819322 UHOUELYRTLURFK-UHFFFAOYSA-N 413.540 3.472 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])OCC(=O)c1ccc(Br)s1 3337966 PNPUJRRILCHMOT-UHFFFAOYSA-N 400.206 3.224 5 40 HGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c1C 12973687 UZKMCVRKMIRGDI-UHFFFAOYSA-N 416.522 3.265 5 40 HGBB O=c1c2cc3c(=O)n(C4CC4)ccc3nc2ccn1-c1nc(C2CCCCC2)n[nH]1 40399025 LNBJMNRPDRKBRF-UHFFFAOYSA-N 402.458 3.201 5 40 HGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408683968 MOHVKDCNMLZBGZ-IEBWSBKVSA-N 419.437 3.494 5 40 HGBB O=C(CSc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccccc1 408994574 ZSFSZSJBUVQBAT-DYVFJYSZSA-N 419.484 3.114 5 40 HGBB O=C(OC[C@H]1CCCO1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 5020250 ASKZXZPTZHTIED-CYBMUJFWSA-N 414.421 3.213 5 40 HGBB COc1cc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 30840484 OJTCGXRVFGFCTD-CLFYSBASSA-N 409.398 3.038 5 40 HGBB COc1ccc(Cn2ccc3nc4ccn(Cc5ccncc5)c(=O)c4cc3c2=O)cc1 40398799 SYMSSJCUERFPAY-UHFFFAOYSA-N 424.460 3.212 5 40 HGBB O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccc([N+](=O)[O-])cc1 57688582 IMSJWUXOTMBKMY-UHFFFAOYSA-N 423.498 3.479 5 40 HGBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223628315 XVTFZSUAVXWYDZ-PMACEKPBSA-N 423.498 3.135 5 40 HGBB COc1ccc([C@H](CNC(=O)c2c[nH]nc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 548413485 SOXBAVVOFMLOKK-INIZCTEOSA-N 405.414 3.370 5 40 HGBB COc1ccc(-c2nc(NC(=O)Cn3nc(C)c([N+](=O)[O-])c3C)sc2C)cc1 5578370 LTUMGIGTEPZSLD-UHFFFAOYSA-N 401.448 3.487 5 40 HGBB CCOC(=O)c1c(NC(=O)COc2cccnc2[N+](=O)[O-])sc2c1CCCC2 5585757 AECNFZLLJHOMKR-UHFFFAOYSA-N 405.432 3.124 5 40 HGBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O 9433933 WAKKQIBHJFCIGR-GCJKJVERSA-N 422.441 3.025 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 220037344 YNUMXMLJFZOTHQ-MRXNPFEDSA-N 419.503 3.163 5 40 HGBB OCCNC(=S)Nc1ccc2nc3c4ncccc4c4cccnc4c3nc2c1 408974708 CDZITXIVIHROKV-UHFFFAOYSA-N 400.467 3.158 5 40 HGBB CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccccc1[N+](=O)[O-])CCCC2 6325801 SJTPDNYJUCJVIC-UHFFFAOYSA-N 417.443 3.289 5 40 HGBB O=C1S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 36046696 MLRDPANLJCFTAT-NVNXTCNLSA-N 401.356 3.445 5 40 HGBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 53898823 PIRVFEGBJVJPKD-ZFWWWQNUSA-N 401.297 3.028 5 40 HGBB Cc1nn2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2nc1=O 58134076 QBAVQCFAKZMDMX-UHFFFAOYSA-N 411.874 3.330 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)NC2CCCCC2)cc1[N+](=O)[O-] 408648652 XRPXGBNKCZPFBY-UHFFFAOYSA-N 405.451 3.004 5 40 HGBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)cc1[N+](=O)[O-] 409160657 VMXIXBPHONTKNY-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB O=C1N/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(Br)cc1 2986072 CFPPTHILAAFIIC-DHDCSXOGSA-N 402.204 3.450 5 40 HGBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1 57333385 UQVMNVJEPMIIIJ-UHFFFAOYSA-N 419.821 3.124 5 40 HGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(F)cc2)C[C@@]1(O)C(F)(F)F 1092541 NUVMVVMBJJPJIU-QGZVFWFLSA-N 411.311 3.164 5 40 HGBB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1[N+](=O)[O-] 3441163 FCLFSVHCILNFFA-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)OCc1csc(-c2ccccc2)n1 9883800 AGANHGHCDFOIRE-UHFFFAOYSA-N 423.406 3.058 5 40 HGBB Cc1ccc2c(COC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc(=O)oc2c1 9964012 ZZDVWRXBQHWACQ-UHFFFAOYSA-N 424.409 3.203 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H](O)c1ccccc1F 40083189 UDASKYVLRVHHFT-CQSZACIVSA-N 408.329 3.173 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(OCCn3cccn3)c2)c1C 40135044 YXEUSOMCRVBQLT-UHFFFAOYSA-N 416.459 3.288 5 40 HGBB O=C(NCCN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O)c1ccc([N+](=O)[O-])cc1 96544257 XJNMKBGSUCLESO-LFIBNONCSA-N 415.402 3.200 5 40 HGBB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3OC)ccc21 225725675 QCZMRVVQPSIKCE-UHFFFAOYSA-N 423.472 3.191 5 40 HGBB CCOc1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3CCOC)cc1 2349276 KXYOUWOUAZGJDR-UHFFFAOYSA-N 415.453 3.329 5 40 HGBB Cc1nn(CCc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)c(C)c1[N+](=O)[O-] 2730782 OZSWZTUXLJDBRS-UHFFFAOYSA-N 424.490 3.491 5 40 HGBB CCN1C(=O)[C@@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 8921791 QRCJEUNDEVGBGZ-GOSISDBHSA-N 419.231 3.184 5 40 HGBB Cc1cccc2nc(C(=O)O[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn12 24903166 DWWAIWDPAPMQNF-NSHDSACASA-N 402.794 3.388 5 40 HGBB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223154327 HZXFWFZSZDWRIN-KRWDZBQOSA-N 403.866 3.344 5 40 HGBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)N(C)Cc1c(F)cccc1Cl 10248423 KGCJODZPXXZWGN-UHFFFAOYSA-N 409.801 3.244 5 40 HGBB O=C(NCc1ccc(OCC(F)(F)F)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 12767740 QZMFVKSDFPBXPH-UHFFFAOYSA-N 412.320 3.237 5 40 HGBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 409356894 HCWPWZAFKIVRBV-MHWRWJLKSA-N 413.411 3.278 5 40 HGBB CC(C)CC(=O)Nc1ccc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)cc1 4412121 NLMRIHZLHZYDJX-UHFFFAOYSA-N 408.414 3.172 5 40 HGBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1 4996853 FWJWVNBZOHXLAU-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB O=C(OC[C@@H]1CCCO1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 5020247 ASKZXZPTZHTIED-ZDUSSCGKSA-N 414.421 3.213 5 40 HGBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)NC1CCCCC1 5167744 PMHXJDQAJFZNIO-UHFFFAOYSA-N 412.475 3.241 5 40 HGBB CC(=O)Nc1cccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 19929252 VHDUYBUQKSEFCO-UHFFFAOYSA-N 413.415 3.334 5 40 HGBB COc1cc(CCNC(=O)c2cccc3c2O[C@H](C)[C@H]3C)c([N+](=O)[O-])cc1OC 32820294 AYTUTHYUHHNQMI-CHWSQXEVSA-N 400.431 3.469 5 40 HGBB CCc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 260772579 USUXIOVLXDUXQW-GJZGRUSLSA-N 419.503 3.189 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c1 5652810 RHYYFXIZYDVAKT-UHFFFAOYSA-N 413.459 3.381 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)CCCC1=O 8475181 MSXDVARANXSIJF-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB CC(C)OC(=O)C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 15363479 ZZZAUCZTYRFHJN-INIZCTEOSA-N 410.423 3.095 5 40 HGBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2nc(/C=C/c3ccc(Cl)cc3)nn12 16734978 GJGPKGRDTADJSI-BOHWWTNISA-N 410.842 3.431 5 40 HGBB CCSc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 38752693 AUUVTLPTCUICGC-UHFFFAOYSA-N 423.516 3.420 5 40 HGBB Cc1cc(C(=O)NC[C@@H](c2ccc(Cl)cc2)N2CCOCC2)ccc1[N+](=O)[O-] 58154236 JNCZATCNGQAMLX-IBGZPJMESA-N 403.866 3.360 5 40 HGBB COc1cc(Cl)c(C)cc1NC(=O)CNc1cc([N+](=O)[O-])ccc1NCCO 5699563 RWXCJDMJOINPQE-UHFFFAOYSA-N 408.842 3.020 5 40 HGBB C[C@@H]1CCc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2C1 6911638 YEKXKJMVRRQQRN-GFCCVEGCSA-N 402.476 3.265 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 7309538 KZFDYNACBGCPPV-MRXNPFEDSA-N 404.444 3.200 5 40 HGBB CC[C@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccc(C)cc1 12522820 PFRVFGBMXHFBIX-FQEVSTJZSA-N 424.501 3.453 5 40 HGBB CNC(=O)NC(=O)[C@@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 13149043 DRWCUGNKDPBSRQ-SFHVURJKSA-N 423.381 3.209 5 40 HGBB COc1ccc(C)cc1NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222361647 LECGQATUDOIHIA-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225019476 ANCQQGFFLJTPFN-UHFFFAOYSA-N 406.460 3.477 5 40 HGBB CC[C@@H](C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cc(C)ccc3nc21 100811534 DRELNQRDQADLEH-OAHLLOKOSA-N 407.518 3.471 5 40 HGBB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 408608091 MREBLIRJHCINON-FQEVSTJZSA-N 411.458 3.267 5 40 HGBB Cc1cccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1C 2707874 RIBDSJAFJZBKRA-UHFFFAOYSA-N 407.426 3.280 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 4518017 KQLMYQZJKYWSOS-UHFFFAOYSA-N 403.441 3.374 5 40 HGBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 5567689 CSPOZFAMECTXTF-UHFFFAOYSA-N 416.459 3.469 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCc2ccccc2C1 6269856 DQSCLCVVONANFB-UHFFFAOYSA-N 401.488 3.332 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1cnc2ccccc2c1=O 10904104 YVNXBCHLJDSJMC-UHFFFAOYSA-N 400.822 3.007 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Sc2ncc3ccccn23)c([N+](=O)[O-])c1 18901199 BTGYMOXEWMTSOO-UHFFFAOYSA-N 406.489 3.424 5 40 HGBB CC[C@@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 44849135 BINWXWOHCJIYOK-GOSISDBHSA-N 419.503 3.245 5 40 HGBB O=[N+]([O-])c1ccc(N2CCC[C@@H]2c2ccsc2)c(S(=O)(=O)N2CCOCC2)c1 48234478 DBQPIKZZUOVESZ-MRXNPFEDSA-N 423.516 3.019 5 40 HGBB COC[C@@H](CCO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 89409707 IXMARLFKYFXSLN-CQSZACIVSA-N 424.837 3.176 5 40 HGBB Cc1nnc(S[C@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C 9166865 BUGAYBCQCLSRRG-SECBINFHSA-N 404.477 3.275 5 40 HGBB C[C@@H]1CN(Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C[C@@H](C)O1 12594645 CAYFJPJYHVTMKM-ZIAGYGMSSA-N 419.507 3.101 5 40 HGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCN1CCc2ccccc2C1 30317653 OSVMANSPZJSSRT-UHFFFAOYSA-N 411.505 3.329 5 40 HGBB COC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCN(C)C2 408566417 NVYNLKLEYPTHCM-UHFFFAOYSA-N 409.851 3.337 5 40 HGBB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 6333154 XVXIXZFDDBPEFP-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c1 8692973 VMORIEVVOUHSNW-VAWYXSNFSA-N 403.460 3.277 5 40 HGBB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)nn1 9627083 JAIYQMJQPOEUJT-UHFFFAOYSA-N 412.427 3.098 5 40 HGBB Cc1nn(CC(=O)O[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1[N+](=O)[O-] 21728818 WDDJQUGELQWTRT-JTQLQIEISA-N 415.233 3.285 5 40 HGBB CCc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 224930843 KJKVDAXIUCWIFM-HNNXBMFYSA-N 419.503 3.109 5 40 HGBB CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225029472 YWRBSFIINQYIOL-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc2ccccc12)S(C)(=O)=O 10372304 WCGBLAGVKACWGG-UHFFFAOYSA-N 413.455 3.461 5 40 HGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1ccc([N+](=O)[O-])cc1 40127953 ADNNTLNRYIJKDK-UHFFFAOYSA-N 412.358 3.444 5 40 HGBB O=C(O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225011254 LLMJBOJTJAGUQZ-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB COc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 6175313 GSAHIEVOWSJYFU-STRFDMGBSA-N 400.387 3.196 5 40 HGBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Cl)cc3)CC2=O)cc1[N+](=O)[O-] 7881670 GCVFCCCAAVVVRF-AWEZNQCLSA-N 416.817 3.336 5 40 HGBB O=c1c2c3c(sc2ncn1Cc1cc([N+](=O)[O-])cc2c1OCOC2)CSCC3 32850519 NIKYLEIYDVFNDA-UHFFFAOYSA-N 417.468 3.070 5 40 HGBB COc1ccc(C)cc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220385236 HECPBOMFLOMNFZ-AWEZNQCLSA-N 421.475 3.013 5 40 HGBB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224646837 QMOIDEMYMNYDDX-HNNXBMFYSA-N 401.438 3.218 5 40 HGBB O=C(Nc1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 2651776 BFRARAZGDCWTCH-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB CC1CCN(C(=O)COC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 6545638 NQSHJEIQOKLJEF-UHFFFAOYSA-N 403.479 3.246 5 40 HGBB Cc1ccc(C)c(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c1 8415016 FAEWEZBZGJADBT-UHFFFAOYSA-N 413.430 3.421 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)c1 13083987 NIUKWQPWMLYKBH-GFCCVEGCSA-N 420.472 3.275 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O 16347401 FYKYZYJZCFJWFS-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CCC(CC)[C@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 24483046 HFFCOHNYMZKFLN-NRFANRHFSA-N 418.538 3.062 5 40 HGBB O=C(/C=C/c1cccs1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 40115719 XRINKIMGUHKNSF-GQCTYLIASA-N 405.863 3.308 5 40 HGBB COc1ccc(Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(Br)c1OC 58391281 SDSMIKOIGOPHOL-UHFFFAOYSA-N 420.219 3.133 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(F)c(F)c1 222678287 CFBJMQAMYLWGQT-UHFFFAOYSA-N 413.402 3.058 5 40 HGBB O=C(Nc1cc2[nH]c(O)nc2cc1Br)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408536694 XIVONVVFVIICLP-UHFFFAOYSA-N 422.151 3.100 5 40 HGBB Cc1ccc(NC(=O)COC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c([N+](=O)[O-])c1 4989060 LPDKZAWQRIYWRO-KRWDZBQOSA-N 414.414 3.257 5 40 HGBB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 8286447 AZZPNAQQDSSSKJ-UHFFFAOYSA-N 417.487 3.341 5 40 HGBB C[C@@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 13040289 UDFPJKOEGFTGHH-OAHLLOKOSA-N 402.882 3.248 5 40 HGBB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 14317524 NLIHKLFYYYIBQW-UHFFFAOYSA-N 422.441 3.268 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1OC 16099643 XLDGVSQVKLPAFX-UHFFFAOYSA-N 417.237 3.175 5 40 HGBB CC1CCN(C(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 20417610 PMBMEZQZINPPJB-UHFFFAOYSA-N 417.487 3.049 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@H](N(C)Cc2ccccc2)C1 72308746 NTKUWGCNVGGSEE-IBGZPJMESA-N 412.490 3.138 5 40 HGBB COC(=O)c1cc(C(=O)Nc2cc(Cl)cc([N+](=O)[O-])c2O)n(-c2ccccc2)n1 95464837 XIHYTASKQUDAAB-UHFFFAOYSA-N 416.777 3.178 5 40 HGBB CC(=O)Nc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 5270820 LZJVANUOEHGKTR-UHFFFAOYSA-N 406.398 3.016 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 9867607 NQXPBIQYOKIADY-LBPRGKRZSA-N 409.430 3.404 5 40 HGBB O=C(CNc1cccc([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12527686 NSOQBERKDBQJQI-UHFFFAOYSA-N 406.324 3.245 5 40 HGBB C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 12609003 VPWAIIPQPXOSRB-AWEZNQCLSA-N 402.882 3.491 5 40 HGBB COc1ccccc1OCc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)o1 19928491 HCNRRBAYPJFWHA-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccccc4O)CC3)ccc2[N+](=O)[O-])n1 20353019 ZLXRIJZPVPDUPY-UHFFFAOYSA-N 421.457 3.065 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1cc(Cl)ccc1Cl 224940112 AGTSPHXTRAMJIZ-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB CCC(=O)N1CCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 225557587 LVVQDPYTSFNDJA-UHFFFAOYSA-N 409.851 3.348 5 40 HGBB CCOc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC 408566454 OFOLGAZSUXBJCX-ZAOYMGCJSA-N 411.458 3.006 5 40 HGBB COc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])c1 5938843 AIBYHEFHGDBHFV-UHFFFAOYSA-N 405.716 3.076 5 40 HGBB COc1ccc(-c2cc(-c3nnc(SCc4ccc([N+](=O)[O-])cc4)n3N)[nH]n2)cc1 9450175 PKYGNIKHUKKHQA-UHFFFAOYSA-N 423.458 3.258 5 40 HGBB CC(C)NC(=O)c1ccc(NC[C@@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 32869559 CGSOQCWUZCULIS-SFHVURJKSA-N 418.519 3.280 5 40 HGBB COC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)o2)cc1 59200730 HYCRMEHEPCRLPP-UHFFFAOYSA-N 414.399 3.162 5 40 HGBB CC(C)(C)OC(=O)N[C@@H](c1cccc([N+](=O)[O-])c1)[C@@H](O)C(=O)OCc1ccccc1 83259266 ZVGQPPNVQSLQBB-ZWKOTPCHSA-N 416.430 3.265 5 40 HGBB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2cccc([N+](=O)[O-])c2)cc1 408562222 OEDIPHGPTWABMK-UHFFFAOYSA-N 409.398 3.473 5 40 HGBB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(Cc4ccc([N+](=O)[O-])cc4)C3=O)ccc21 1103870 SYMKCPDALROBFC-LICLKQGHSA-N 424.438 3.022 5 40 HGBB Cc1cc2nnc(SCC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)n2c2ccccc12 3444930 DWCHVQHXXDUMTN-UHFFFAOYSA-N 421.438 3.148 5 40 HGBB CCc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220276308 HMLORCVPNLPNHX-AWEZNQCLSA-N 405.476 3.259 5 40 HGBB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521138 QDDUKVNAXMYJAC-SFHVURJKSA-N 409.508 3.146 5 40 HGBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)C)cc1 225667825 LOQHRYKKPSXWLA-MRXNPFEDSA-N 413.474 3.088 5 40 HGBB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc([N+](=O)[O-])cc1 409183852 UEXJXKSBNUPBHV-UHFFFAOYSA-N 416.393 3.428 5 40 HGBB Cc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 8040911 JSFLNUGGEDGQTB-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 13856671 VCYFZFNUFRZXJS-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB O=C(NCc1cccs1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 38550763 SHWWERBXCRBDMS-UHFFFAOYSA-N 403.489 3.298 5 40 HGBB O=C(Cc1ccccc1[N+](=O)[O-])NCc1nc(-c2cccc(Br)c2)no1 218162468 LRWLSRUCJKBJOH-UHFFFAOYSA-N 417.219 3.266 5 40 HGBB CCOc1ccccc1NC(=O)C[C@@H]1SC(Nc2ccc([N+](=O)[O-])cc2)=NC1=O 5499919 RWFHLEJLPWDGTI-INIZCTEOSA-N 414.443 3.432 5 40 HGBB Cc1ccc(C(=O)Nc2cccc(S(=O)(=O)N3CCCCC3)c2)cc1[N+](=O)[O-] 5635827 OBHNEALSXVEWDU-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(I)cc1F 17090471 ZGNZCBMGQOABHU-UHFFFAOYSA-N 416.146 3.356 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)C1C2CC3CC(C2)CC1C3 45221510 QSYYPMXNJLYQOL-UHFFFAOYSA-N 416.542 3.291 5 40 HGBB CCc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 260772573 USUXIOVLXDUXQW-CABCVRRESA-N 419.503 3.189 5 40 HGBB Cc1c([N+](=O)[O-])cnn1CCc1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2731049 WVAWZYLYGQKSJH-UHFFFAOYSA-N 410.463 3.182 5 40 HGBB O=C(c1ccc(OC[C@@H]2CCCO2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5895880 UKRPHMTZTGFTSF-NRFANRHFSA-N 411.458 3.115 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 19867577 COVCILVDXAHTOL-UHFFFAOYSA-N 417.487 3.084 5 40 HGBB CC[C@H]1[C@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@H]5O)[N+]3(CCC=C(C)C)[C@@H]1O 100768816 UKHLKPBTNRMFRJ-SZXLXTTDSA-N 409.594 3.426 5 40 HGBB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 220423552 LDNVBOIYZCAQQL-HOTGVXAUSA-N 419.503 3.244 5 40 HGBB Cc1cccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222377586 XTSADGAEPSGRNY-UHFFFAOYSA-N 419.503 3.074 5 40 HGBB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1cccc([N+](=O)[O-])c1 225740795 OHMUKMDEYUCPHR-UHFFFAOYSA-N 402.204 3.311 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Nc1cc(NC(C)=O)ccc1OC 6507721 IUCWZPAQQHUVGO-NSHDSACASA-N 402.407 3.010 5 40 HGBB O=C(COC(=O)c1cncc(Br)c1)Nc1ccc(Cl)cc1[N+](=O)[O-] 9597041 JTXFGUGUIRYZOD-UHFFFAOYSA-N 414.599 3.201 5 40 HGBB O=[N+]([O-])c1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 12644496 WYIJXRIMHCHDKT-UHFFFAOYSA-N 419.420 3.189 5 40 HGBB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2)nn1 15880830 ZDTAOYPGAYXRDC-UHFFFAOYSA-N 412.427 3.098 5 40 HGBB COc1cc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1OC(C)C 219824550 MZKFBZAVWIKURP-UHFFFAOYSA-N 404.419 3.094 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1F)S(C)(=O)=O 222655887 YFNYVBLQQJKGHH-UHFFFAOYSA-N 409.439 3.227 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2C(C)C)cc1 5171888 JUNKEGXOORJSJV-IBGZPJMESA-N 417.487 3.032 5 40 HGBB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 5850662 UEIJYUVMGGQMFL-SNVBAGLBSA-N 405.794 3.391 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N(C)C 10333834 DOKXZDNTPFPYJM-NRFANRHFSA-N 420.469 3.414 5 40 HGBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 20634772 MWURFSLMVQZCSL-SFHVURJKSA-N 423.425 3.424 5 40 HGBB CN(Cc1ccc(F)cc1F)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 58308176 VCQSCDYYKGFLNK-UHFFFAOYSA-N 421.219 3.456 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)[C@@H](C)CC(=O)c1ccccc1F 95962754 JIKADDNDGWLBSJ-ZDUSSCGKSA-N 402.378 3.433 5 40 HGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccccc1 100843264 XBZVSHPSYCLFJU-CTNGQTDRSA-N 412.405 3.377 5 40 HGBB CCCCOc1ccc(N2C(=O)[C@H]3C(c4ccc([N+](=O)[O-])cc4)=NO[C@H]3C2=O)cc1 103140262 SKEXRTWFRRASLF-PKOBYXMFSA-N 409.398 3.066 5 40 HGBB Cc1c(Cl)cccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220027358 MPDKQOKEKUTOFC-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB COc1ccc(C(=O)CSc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1[N+](=O)[O-] 12444609 QPTBOEBDNOQGQH-UHFFFAOYSA-N 405.457 3.493 5 40 HGBB Cc1cccc(C)c1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17089905 AYFSVCBSESHSBG-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 17093797 YQZFQJMGSNKZMN-UHFFFAOYSA-N 424.335 3.484 5 40 HGBB COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113883769 FPJZJSHPBSOMGS-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB Cc1cc(C)c(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220410227 HLYBXOAGNHJJQI-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB COC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccc(OC)cc1 873181 PFFCCYLKTQHXIU-UHFFFAOYSA-N 400.416 3.116 5 40 HGBB O=[N+]([O-])c1cccc(-c2noc([C@@H]3C[C@@H](O)CN3Cc3c[nH]c4ccccc34)n2)c1 15674849 AGHAFRLWWAYIOG-APWZRJJASA-N 405.414 3.434 5 40 HGBB biogenic,in-vitro COc1cc(C=C(C(=O)NCCC(C)C)C(=O)NCCC(C)C)cc([N+](=O)[O-])c1O 16410323 IHKRCEXQDPLHGD-UHFFFAOYSA-N 421.494 3.017 5 40 HGBB Cc1cccc(C)c1OCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 32945549 WXJZCCKCAZXYPZ-UHFFFAOYSA-N 400.431 3.284 5 40 HGBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc2ccccc2c1 225059362 AJLSXIAJYGKJRK-UHFFFAOYSA-N 400.412 3.116 5 40 HGBB Nc1cc(S[O])c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)c4ccc1c2c43 604940254 DHBJMPVZPPUACF-UHFFFAOYSA-N 424.457 3.097 5 40 HGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 837650 VQHMHUDCXQAMHA-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 3362619 MBRMZRVAYSZJFA-GFCCVEGCSA-N 402.403 3.358 5 40 HGBB CSCC[C@@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 12547492 FDBVFLNSZMVRJF-OAHLLOKOSA-N 400.460 3.461 5 40 HGBB CC(C)[C@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])N1CCCC1 12607493 QDENKAGNLBUXRB-FQEVSTJZSA-N 424.567 3.302 5 40 HGBB CSc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)cc1[N+](=O)[O-] 12938961 ULYKVFUYULOFQP-GOSISDBHSA-N 415.515 3.428 5 40 HGBB Cc1cc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 22393079 JTTRXRHWYVPMCQ-UHFFFAOYSA-N 405.476 3.233 5 40 HGBB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 220361932 MYGPJJQAMLPIMP-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CC[C@@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 220421543 ZVGJRARDNGKUAZ-DNVCBOLYSA-N 419.503 3.325 5 40 HGBB Cc1ccc(C)c(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222683647 JSDYVFVLQGQHBX-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB Cc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 408629129 ZSGWPYPIJKCAQI-UHFFFAOYSA-N 400.460 3.336 5 40 HGBB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409129765 MEKZSGHLESFYJF-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 101577044 KSATXQVGRQIAQY-UGGSBELWSA-N 401.467 3.307 5 40 HGBB CSc1nc2nc(C)c(CCC(=O)OCc3ccc([N+](=O)[O-])cc3)c(C)n2n1 7743486 QOPWOVMEFDNJJI-UHFFFAOYSA-N 401.448 3.047 5 40 HGBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccccc2[N+](=O)[O-])c(F)c1F 408626570 IDTAVKJGGZRPSY-UHFFFAOYSA-N 403.313 3.287 5 40 HGBB O=C(/N=c1/sccn1Cc1ccccc1F)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 17368819 WWZOHCNJRFNUIU-HTXNQAPBSA-N 402.363 3.295 5 40 HGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 7594496 NTTJGTTXGFDNBS-UHFFFAOYSA-N 412.333 3.104 5 40 HGBB Cn1c(Sc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])nc2ccccc21 9466787 PCTLJKLASVPNED-UHFFFAOYSA-N 418.500 3.417 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cccc(Br)c1 20611694 WBFMSMIYOPRTHZ-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB Cc1ncc([N+](=O)[O-])cc1C(=O)OCC(=O)c1ccc(CNC(=O)C(C)(C)C)s1 21628864 AERKLDKXIIRFTG-UHFFFAOYSA-N 419.459 3.062 5 40 HGBB COc1cc(CNc2ncc([N+](=O)[O-])c(NC3CC3)n2)ccc1OC[C@H]1CCCO1 52187711 KTMWRDRGYZAGTG-OAHLLOKOSA-N 415.450 3.138 5 40 HGBB Cc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 409408430 CNJCAPROKGPDSM-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 5022878 FGJDERDDVVBNGL-UHFFFAOYSA-N 413.459 3.342 5 40 HGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NC1CCCCC1 6043771 AWGXBMILUUKOME-NSHDSACASA-N 417.384 3.406 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O 8475257 YWOURZNRPQYFAC-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccco1 8620619 LJWBDGYAVRNMBY-UHFFFAOYSA-N 403.420 3.206 5 40 HGBB Nn1c(SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])nnc1-c1cccc(F)c1 89779403 LQKRCVQKMLFSBG-UHFFFAOYSA-N 422.829 3.090 5 40 HGBB COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(OC)c(OC)cc21 101035530 RXXZVVZJQPOMKU-VXPUYCOJSA-N 417.443 3.016 5 40 HGBB CC(=O)Nc1ccc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4981363 XFFUCANXYDJCLH-GOSISDBHSA-N 411.418 3.188 5 40 HGBB COc1ccc2cc(CN(C)C(=O)Cn3c(=O)oc4ccc([N+](=O)[O-])cc43)ccc2c1 28005842 WJTCPSZUDPYJAF-UHFFFAOYSA-N 421.409 3.323 5 40 HGBB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222889960 INOCAARSBHZXPV-CQSZACIVSA-N 403.866 3.344 5 40 HGBB COC(=O)c1cc(NC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc(C(=O)OC)c1 1753066 WXWQUOLWSOJJJV-UHFFFAOYSA-N 407.766 3.465 5 40 HGBB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 3521380 RTYVFVNHLRFQNZ-JTQLQIEISA-N 405.794 3.391 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 4976692 LCDCCVSNIRJSPD-UHFFFAOYSA-N 400.416 3.308 5 40 HGBB CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4981362 XFFUCANXYDJCLH-SFHVURJKSA-N 411.418 3.188 5 40 HGBB O=C(OCC(=O)c1cc2ccccc2o1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5708780 VNNJMDLSOFHJNS-UHFFFAOYSA-N 410.382 3.217 5 40 HGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(-n2cccn2)nc1 22509043 NDJJFWNZVDDZRE-UHFFFAOYSA-N 409.449 3.052 5 40 HGBB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57554088 YGCKCODLEZCWDL-OAHLLOKOSA-N 423.448 3.431 5 40 HGBB COC(=O)c1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1Cl 223833985 VWWDNBUODQEASS-UHFFFAOYSA-N 405.215 3.489 5 40 HGBB Cc1c(N(CCCC(=O)NCC2CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224862453 KSFRPFKCWTXSHS-UHFFFAOYSA-N 411.524 3.146 5 40 HGBB O=C(O)/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Sc1nc2ccccc2[nH]1 408635009 WLKUWJLPWZCDAJ-MLPAPPSSSA-N 402.344 3.303 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 408662452 ISVPTUYUHKXTPS-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 1155248 TUHGGHNGNPMCAZ-RVKKMQEKSA-N 423.347 3.007 5 40 HGBB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1c1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 101018080 TVBNDFOIIJKQQP-SAKMYQHLSA-N 410.433 3.295 5 40 HGBB O=C(CSc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccccc1 408994572 ZSFSZSJBUVQBAT-CXAGYDPISA-N 419.484 3.114 5 40 HGBB CCOc1ccccc1C(=O)N[C@@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C 32906928 XEJKUKJMWSJQJR-HXUWFJFHSA-N 411.458 3.337 5 40 HGBB Cc1cc(C)c(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220410155 HLYBXOAGNHJJQI-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17087500 JJKZTYXJFOFVTI-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 40155782 NQZGHKZHQSTAAT-CABCVRRESA-N 413.496 3.017 5 40 HGBB Cc1cc(C(=O)Oc2ccc3cc(C(=O)NC(C)C)c(=O)oc3c2)ccc1[N+](=O)[O-] 941594 JVVHBDBIMHWAMG-UHFFFAOYSA-N 410.382 3.367 5 40 HGBB CCOc1ccc(NC(=O)c2cccn(OCc3cccc([N+](=O)[O-])c3)c2=O)cc1 5054780 CIOVXOWSXREKKT-UHFFFAOYSA-N 409.398 3.036 5 40 HGBB COc1ccc(C(=O)Nc2nc3ccc(N4CCOCC4)cc3s2)cc1[N+](=O)[O-] 6414400 LNDASJQIOIXAAE-UHFFFAOYSA-N 414.443 3.302 5 40 HGBB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 8644643 OIUMAZBETOQPPY-LJQANCHMSA-N 416.821 3.044 5 40 HGBB COC(=O)c1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9906133 SJSHOUGKSQLGQK-UHFFFAOYSA-N 419.821 3.124 5 40 HGBB CN(C)[C@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 10333754 WXWKYVUNHXRORZ-HXUWFJFHSA-N 406.442 3.106 5 40 HGBB C[C@@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 16319440 RSJNSQFPYNLDOM-CQSZACIVSA-N 423.425 3.341 5 40 HGBB O=C(Nc1nc2ccccc2s1)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 17201237 LKKJEQBSRQIMII-UHFFFAOYSA-N 422.422 3.247 5 40 HGBB O=[N+]([O-])c1ccccc1COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 408603649 GOJOVNJSUZHTNQ-JXMROGBWSA-N 410.342 3.454 5 40 HGBB CCOC(=O)c1cc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)ccc1Cl 409202778 UTCMJFILBGNWBY-UHFFFAOYSA-N 406.778 3.220 5 40 HGBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)o2)c([N+](=O)[O-])c1 8020231 GBGUPMTYALVWMG-UHFFFAOYSA-N 401.400 3.063 5 40 HGBB CC(C)C(=O)OCC(=O)Nc1c(Br)cc([N+](=O)[O-])cc1Br 11079203 ZXALIWBHOKZVQH-UHFFFAOYSA-N 424.045 3.258 5 40 HGBB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 89904916 GKUNXMVZNPPOBF-JUZXBQNTSA-N 402.881 3.025 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 409130929 OJJVADCODXHJLX-UHFFFAOYSA-N 421.475 3.132 5 40 HGBB O=[N+]([O-])c1cccc(CSc2nnc(CN3CCOCC3)n2-c2ccccc2)c1 409217603 DQBIPVPVJYMFJK-UHFFFAOYSA-N 411.487 3.300 5 40 HGBB O=C(Nc1c(F)c(F)c(F)c(F)c1F)c1ccc(Cn2cc([N+](=O)[O-])cn2)o1 2765992 CEPMQHAKRKONJS-UHFFFAOYSA-N 402.235 3.380 5 40 HGBB COc1ccc(C)c2sc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nc12 5182631 OPPSUUFXXRGYDF-UHFFFAOYSA-N 412.471 3.484 5 40 HGBB CCCOc1ccc(N2C[C@@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2=O)cc1 5708189 JSZGRXWSHQRDOX-AWEZNQCLSA-N 413.430 3.384 5 40 HGBB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])ccc1O 5782343 JZPIRKMKWMFWHV-XVNBXDOJSA-N 406.778 3.158 5 40 HGBB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 7108001 VZALSULGHGLIPD-JTQLQIEISA-N 405.794 3.391 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2c(C)nn(Cc3ccccc3)c2C)cc1[N+](=O)[O-] 12931760 XHALTIHOZOQOQH-UHFFFAOYSA-N 414.487 3.243 5 40 HGBB O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1 15161866 QYGBIVDVJZVULO-UHFFFAOYSA-N 409.148 3.305 5 40 HGBB Cc1ccc2c(COC(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])cc(=O)oc2c1 16318937 AAEGQFZWIVNWHY-UHFFFAOYSA-N 424.409 3.203 5 40 HGBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2F)cc1 32640704 WCIGIXNUKOQFOL-WBVHZDCISA-N 421.475 3.009 5 40 HGBB CSCC[C@H](NC(=O)Cn1ccc2c([N+](=O)[O-])cccc21)c1nnc2ccccn12 96118567 FHBQCDXCWJNMGI-HNNXBMFYSA-N 424.486 3.203 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCCC1=CCCCC1)S(C)(=O)=O 222374792 MEFNHBJHYQBHQP-UHFFFAOYSA-N 423.535 3.456 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1cccc(CN2CCCCC2)c1 224671465 MSKRDIKEQKOSRM-UHFFFAOYSA-N 403.504 3.368 5 40 HGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1O 409350142 SQPVNAMEAWRPCN-RQZCQDPDSA-N 414.395 3.228 5 40 HGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1F 2728746 ZTSYYNKGZDDRHR-UHFFFAOYSA-N 407.404 3.276 5 40 HGBB CCOc1ccc(NC2=NC(=O)[C@H](CC(=O)Nc3ccccc3[N+](=O)[O-])S2)cc1 5499891 WMFTVCDMRYARPC-INIZCTEOSA-N 414.443 3.432 5 40 HGBB Cc1ccc([C@@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])N2CCOCC2)o1 32863489 GYSBEHCBHMBTFI-LJQANCHMSA-N 416.478 3.120 5 40 HGBB CCOC(=O)C1=C(C)Nc2nc(SC)nc(O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 44973721 FEPXGVASYPDMMW-ZDUSSCGKSA-N 402.432 3.207 5 40 HGBB COc1cc([N+](=O)[O-])c(C(=O)Nc2cccc(N3CCCNC3=O)c2)cc1SC 72301388 ZXQUTUXSXSKMEW-UHFFFAOYSA-N 416.459 3.497 5 40 HGBB CC[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222529301 ILTQQVXZOARZIB-SCLBCKFNSA-N 423.466 3.156 5 40 HGBB Cc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 222685904 NELGWGZJHPNWAO-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB COc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 705268 JSIFDQCKPFEOAF-QGZVFWFLSA-N 410.473 3.048 5 40 HGBB CCn1nccc1[C@H](C)NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809214 IALOQKQWBIXALZ-LBPRGKRZSA-N 402.842 3.200 5 40 HGBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(N3CCCSCC3)c([N+](=O)[O-])c2)C1 32935572 OCOBDFAHIXDRMF-GJZGRUSLSA-N 413.565 3.205 5 40 HGBB CN(CCOc1ccccc1)S(=O)(=O)c1ccc(Br)cc1[N+](=O)[O-] 58310792 FCAUIDQOYLPKOB-UHFFFAOYSA-N 415.265 3.057 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 4159822 HNNDOPFUTVBSDP-HXUWFJFHSA-N 415.405 3.441 5 40 HGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2)cc1[N+](=O)[O-] 8433943 JKXHHQMAMRFBPN-UHFFFAOYSA-N 400.387 3.138 5 40 HGBB Cc1cc(Br)ccc1NC(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 15764675 IFYGVFBNDVQNQE-UHFFFAOYSA-N 402.208 3.499 5 40 HGBB O=C(NCc1ccc(F)cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 38550769 XFJPBMFXDRPHGV-UHFFFAOYSA-N 415.450 3.375 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1 408620833 JYEFVHKVXLDHGF-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB O=C(NCCCNC(=O)c1cccs1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 7466441 UVKUCPROYCQUGE-UHFFFAOYSA-N 416.503 3.197 5 40 HGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(F)cc1 12561321 RARCOPXNIQXTFJ-UHFFFAOYSA-N 409.421 3.043 5 40 HGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2c(c1)OCCO2 17090560 AAMQKMAXVBYBTF-UHFFFAOYSA-N 416.440 3.103 5 40 HGBB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1cc(C)ccc1[N+](=O)[O-] 36612363 KZSTUVREULLFRV-KSSFIOAISA-N 404.444 3.279 5 40 HGBB C[C@@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 40142629 ZTIRJNYVHBRZFY-HUUCEWRRSA-N 422.445 3.041 5 40 HGBB CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)n1 40398863 DIVOGUQDRRZMQA-PXAZEXFGSA-N 422.514 3.292 5 40 HGBB CCOc1ccc(/C=c2\sc3nc4ccc([N+](=O)[O-])cc4n3c2=O)cc1OCC 59463318 VDNGIJPCRFGEBS-ZDLGFXPLSA-N 411.439 3.163 5 40 HGBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Oc2cccc3cccnc23)CC1=O 408667130 QFDSXLKNFZKSFU-AWEZNQCLSA-N 407.382 3.110 5 40 HGBB CC(C)(C)C(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4687601 LPWJMKNVHSVAGB-UHFFFAOYSA-N 404.345 3.217 5 40 HGBB COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 5101141 CUEMXGOAWVLMDS-QGZVFWFLSA-N 410.473 3.048 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N3C[C@H](C)O[C@@H](C)C3)c([N+](=O)[O-])c2)CC1 8055202 LTKFKBGNZIBVIC-PYBGIAKNSA-N 411.524 3.065 5 40 HGBB CN(C)C1(CNC(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)CCCCCC1 26252238 LWGLIXQPJDDEAJ-UHFFFAOYSA-N 403.527 3.081 5 40 HGBB Cc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)N2CCOCC2)c1[N+](=O)[O-] 29803550 NOBMRGJUCZIDGB-SFHVURJKSA-N 403.866 3.360 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@H]1C[C@@H]2C[C@H]3C[C@H]2C[C@H]1C3 102691999 BTUZUIDUPGWLIR-SPOLIRPYSA-N 416.542 3.291 5 40 HGBB C[C@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC1CCCC1 4245766 IDOSQYAWZWLLMO-JTQLQIEISA-N 403.357 3.016 5 40 HGBB O=C(c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCN(c2ncccn2)CC1 7955661 RIYIQDFVRCHZFO-UHFFFAOYSA-N 413.821 3.261 5 40 HGBB CS(=O)(=O)c1ccc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 7981682 GEGLKUCWLKDPPD-OAHLLOKOSA-N 404.444 3.111 5 40 HGBB COC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc2ccccc2c1 225061947 HORQDFNGACTNSO-UHFFFAOYSA-N 414.439 3.425 5 40 HGBB CC(C)(C)C(=O)COC(=O)c1ccc2c(c1)C(=O)N(c1ccc([N+](=O)[O-])cc1)C2=O 4545224 VIZIELFZXHZJDS-UHFFFAOYSA-N 410.382 3.167 5 40 HGBB COC(=O)c1ccc(OCC(=O)Nc2ccccc2[N+](=O)[O-])c(Br)c1 12990068 MVZZAFYFAZWHPO-UHFFFAOYSA-N 409.192 3.161 5 40 HGBB Cc1c(NC(=O)c2ccc(F)c(S(=O)(=O)N3CCCC3)c2)cccc1[N+](=O)[O-] 19935703 XBJLUTBUFOXAJD-UHFFFAOYSA-N 407.423 3.079 5 40 HGBB COc1cc(NC(=O)CSc2nc3cc([N+](=O)[O-])ccc3o2)cc(OC)c1OC 32777310 KQXGIOLCOZPFNI-UHFFFAOYSA-N 419.415 3.493 5 40 HGBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)NCc1cccc(Oc2ccccc2)c1 40094833 OSHFHULSOWQOPU-UHFFFAOYSA-N 405.410 3.433 5 40 HGBB CCOC(=O)c1cccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)c1 409391670 KMNPVXGAEFIPAD-UHFFFAOYSA-N 400.416 3.379 5 40 HGBB O=C1OC(c2cccc([N+](=O)[O-])c2)=N/C1=C\c1cc2c(cc1Br)OCO2 9066107 GFDBGDZTNFMZPO-ACAGNQJTSA-N 417.171 3.431 5 40 HGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 20410910 ASDKDTQDORDNFV-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB COc1cccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)c1 23106100 VJHZSHUPYXUAIY-LJQANCHMSA-N 419.865 3.060 5 40 HGBB CCCCOC(=O)c1ccc(-n2c3nc(=O)n(C)c(=O)c-3cc3ccccc32)cc1 59497800 BESPHBNFRYXTIP-UHFFFAOYSA-N 403.438 3.146 5 40 HGBB COc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 222581990 GSJIQBSDALEVPT-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=C(CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2)Nc1cccc([N+](=O)[O-])c1 100433794 JELMMOLHVJAROT-RTBURBONSA-N 423.473 3.350 5 40 HGBB O=C(O)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 3887622 KBYAVTWMQOVXKP-UHFFFAOYSA-N 408.457 3.229 5 40 HGBB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408663809 OELIFKDCDZIGAE-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB Cc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 220407053 CRTJDPDUYRJDGD-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)cc1 220036384 MJUYXRIXPYJTTC-KRWDZBQOSA-N 419.503 3.245 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccccc1)S(C)(=O)=O 222371433 TVRDGQWWCHPMKX-INIZCTEOSA-N 419.503 3.327 5 40 HGBB COc1ccc(C(=O)Nc2cccc(OCCN=c3c(C)c[nH]cc3[N+](=O)[O-])c2)cc1 1117687597 PDIMRAOFGGAGTO-UHFFFAOYSA-N 422.441 3.472 5 40 HGBB Cc1ccc(NC(=O)[C@H](NCCC(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 21793527 KLRIPVYSSCFHIF-OAQYLSRUSA-N 410.474 3.185 5 40 HGBB CSc1ccccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10332055 WJJRHVHJTNUXQF-UHFFFAOYSA-N 409.489 3.030 5 40 HGBB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@]31C 4073535 BZLZGZKNFWZMIY-NRFANRHFSA-N 406.398 3.325 5 40 HGBB biogenic COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)Cn1c2ccccc2c(=O)c2ccccc21 55451915 HNKOZKAQDUDYED-BPXKWBHBSA-N 418.493 3.487 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669794 ZZJDKTYZCVXXEY-MRXNPFEDSA-N 409.851 3.040 5 40 HGBB C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C[C@H](C)O1 24263514 VNWDUMAJDWGYOQ-GJZGRUSLSA-N 411.458 3.141 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 101577060 KSATXQVGRQIAQY-HMTTWLPMSA-N 401.467 3.307 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CC(=O)N(CCc2ccc(F)cc2)C1 8245778 LCIBPDYQWOWMLM-ZDUSSCGKSA-N 405.813 3.417 5 40 HGBB CO[C@H](C)c1nc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cs1 95941521 XQPNVOSGAXPIAC-CYBMUJFWSA-N 416.507 3.347 5 40 HGBB COc1cc(CN(C)C(=O)C2(c3ccc([N+](=O)[O-])cc3)CC2)cc(OC)c1OC 225989590 MCSQCHXWIRALMM-UHFFFAOYSA-N 400.431 3.311 5 40 HGBB CCCCC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16637556 LTZXKOMSQSLYPV-UHFFFAOYSA-N 418.441 3.327 5 40 HGBB O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1cccc([N+](=O)[O-])c1 4375595 YGZZSZVKJLQRIZ-UHFFFAOYSA-N 411.418 3.478 5 40 HGBB O=C(CN1C(=O)c2cc(Cl)c(Cl)cc2C1=O)OCc1ccc([N+](=O)[O-])cc1 6526750 MLHYLZAIEVRTCS-UHFFFAOYSA-N 409.181 3.241 5 40 HGBB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3[N+](=O)[O-])C(=O)[C@@H]2C)cc1 6640091 MCRXSOHMTNNHFP-HNNXBMFYSA-N 410.430 3.316 5 40 HGBB COc1ccc(NC(=O)COC(=O)c2c(C)nn(-c3ccccc3)c2C)c([N+](=O)[O-])c1 9119370 QBDROKSHODRPNS-UHFFFAOYSA-N 424.413 3.201 5 40 HGBB COc1ccc(NC(=S)NC(=O)c2ccccc2Br)cc1[N+](=O)[O-] 5611793 WCIHGOPXRWJGGZ-UHFFFAOYSA-N 410.249 3.493 5 40 HGBB Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13582232 TUHGGHNGNPMCAZ-RKVPGOIHSA-N 423.347 3.007 5 40 HGBB Cn1c(COc2ccccc2[N+](=O)[O-])c(Br)c(=O)n1-c1ccccc1 2543403 NGUIHWGOWWNYKJ-UHFFFAOYSA-N 404.220 3.426 5 40 HGBB CCCn1c(Sc2c(N)c3cc([N+](=O)[O-])ccc3[nH]c2=O)nc2ccccc2c1=O 5919356 UXJRJDFDERGCGI-UHFFFAOYSA-N 423.454 3.290 5 40 HGBB Cc1ccc2c(COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc(=O)oc2c1 9121204 UZKPIWYBTFFSDS-UHFFFAOYSA-N 424.409 3.203 5 40 HGBB COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 12998368 DPIWQMOTYZHGSA-QGZVFWFLSA-N 412.398 3.130 5 40 HGBB COc1cc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(C(=O)C2CC2)cc1OC 13945487 DJEDFQVXKNYTKY-UHFFFAOYSA-N 415.358 3.365 5 40 HGBB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)[C@@]31C 15954780 BZLZGZKNFWZMIY-OAQYLSRUSA-N 406.398 3.325 5 40 HGBB biogenic Cc1cc(=O)c(C(=O)Nc2ccc3ncccc3c2)nn1-c1ccccc1[N+](=O)[O-] 32933559 CLSOXGLGYGZPMD-UHFFFAOYSA-N 401.382 3.250 5 40 HGBB CCOC(=O)C1=C(C)N[C@@H](c2cccc([N+](=O)[O-])c2)N[C@H]1c1cccc([N+](=O)[O-])c1 95115833 LYSZPSRFMMSDIP-RBUKOAKNSA-N 412.402 3.273 5 40 HGBB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1cccc([N+](=O)[O-])c1 940457 ZMQKGYRNTNOBRM-GOSISDBHSA-N 406.402 3.123 5 40 HGBB O=[N+]([O-])c1c(N2CCCC2)c([N+](=O)[O-])c(N2CCCC2)c([N+](=O)[O-])c1N1CCCC1 29747660 NFRWTRVAMQRASO-UHFFFAOYSA-N 420.426 3.212 5 40 HGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@@H]32)cc1 32640710 GFTTYJGTCKASPW-ROUUACIJSA-N 417.512 3.178 5 40 HGBB C[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 222683282 XCHKWQGFQCHPAX-HNNXBMFYSA-N 405.476 3.018 5 40 HGBB COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225086351 BOMPDHWFWRVDRW-UHFFFAOYSA-N 406.460 3.197 5 40 HGBB O=C(NC(=S)Nc1ccccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17092457 DONQAUDFJLIPJA-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB C[C@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 16642626 TXLLJIIVAKUFMR-AWEZNQCLSA-N 403.460 3.268 5 40 HGBB Cc1ccc([C@@H](CN2CCOCC2)Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 23990266 RHMRSQWOERZIQT-GOSISDBHSA-N 409.442 3.495 5 40 HGBB O=[N+]([O-])c1ccc(-c2ncn(CN3CCN(C/C=C/c4ccccc4)CC3)n2)cc1 32814768 NDADYGHIEAPDRB-QPJJXVBHSA-N 404.474 3.142 5 40 HGBB O=C(NCC(F)(F)F)c1ccccc1NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40080058 BSQGOBIDQMXUDD-UHFFFAOYSA-N 407.308 3.016 5 40 HGBB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 225390448 ADCZCEHOEALCBU-GOSISDBHSA-N 421.475 3.095 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)CCCC1=O 8475264 GAKQBXAYPHNYOH-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB O=C1C[C@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 9360014 JYYNPYRVIQISRF-CQSZACIVSA-N 412.793 3.024 5 40 HGBB COc1cc(OC)c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1OC 15879672 NFDPEADALORJCR-UHFFFAOYSA-N 424.793 3.070 5 40 HGBB COc1cc(OC)cc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c1 17091404 DROHUQQGLIHPGX-UHFFFAOYSA-N 418.456 3.349 5 40 HGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Cl 20410901 FMDHFQALXJAYOV-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB Cc1cc(OCC(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)ccc1Cl 20611879 CKNWMUXYFDHMEZ-UHFFFAOYSA-N 405.838 3.411 5 40 HGBB CCSc1n[nH]c(-n2ccc3nc4ccn(C5CCCC5)c(=O)c4cc3c2=O)n1 40398907 PZFFLPUIGWPESX-UHFFFAOYSA-N 408.487 3.046 5 40 HGBB COc1ccc([C@@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCC2)cc1 58268803 VJRSFDFSXSCQOA-NRFANRHFSA-N 408.458 3.377 5 40 HGBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1ccc(OC(F)(F)F)cc1 826482 YHYSAFZSRDSUMB-UHFFFAOYSA-N 423.145 3.400 5 40 HGBB CC(=O)c1cc2c(cc1NC(=O)c1ccccc1Cn1nc([N+](=O)[O-])cc1C)OCO2 2794444 JMGRBZTWONBHES-UHFFFAOYSA-N 422.397 3.332 5 40 HGBB O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1cccc(C(F)(F)F)c1 13556153 WHCGBVFKBGBAAT-SFHVURJKSA-N 419.315 3.440 5 40 HGBB CCCCc1noc([C@@H](C)Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1 32761060 YNVKYOFCVIBKAD-CYBMUJFWSA-N 424.479 3.245 5 40 HGBB CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 36398210 DAWCHJRSODBSNK-UHFFFAOYSA-N 422.420 3.201 5 40 HGBB Cc1ccccc1NC1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)CC1 58430691 IVJJAJWJOWBNRD-UHFFFAOYSA-N 424.501 3.457 5 40 HGBB CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(C)cc1)n1cncn1 89941936 WYEHBVOAXBSRFE-FPOVZHCZSA-N 409.446 3.058 5 40 HGBB CCN1CCC[C@H]1CN/C=C1/C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 20503347 QMMMSFPNYVHQDN-DAMBIUFKSA-N 420.469 3.197 5 40 HGBB CNC(=O)c1ccc(Oc2ccc(S(=O)(=O)NCCC(C)C)cc2)c([N+](=O)[O-])c1 89821162 BKPSKNKTJNQUOD-UHFFFAOYSA-N 421.475 3.071 5 40 HGBB CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222874897 RYRINVWSCLADDC-MRXNPFEDSA-N 415.515 3.034 5 40 HGBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)cc1 14091615 HTFKUKMKRARZAG-UHFFFAOYSA-N 413.459 3.054 5 40 HGBB COc1ccccc1C(=O)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc([N+](=O)[O-])cc1 885723 RMEMWPGSWJPMAD-KRWDZBQOSA-N 409.320 3.213 5 40 HGBB CC(C)(C)c1ccc([C@@]2(C)NC(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 8948417 PISODYASYBXLOM-JOCHJYFZSA-N 424.457 3.298 5 40 HGBB COc1cc(CCNC(=O)c2sccc2-n2cccc2)c([N+](=O)[O-])cc1OC 12779181 GYJPOZWWZJNNPF-UHFFFAOYSA-N 401.444 3.437 5 40 HGBB COC(=O)c1cc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc([N+](=O)[O-])c1 17082329 JLBWRTMSQPRJQZ-UHFFFAOYSA-N 402.344 3.152 5 40 HGBB CN(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 58145374 XMLZHAIVQDTSHD-KBXCAEBGSA-N 406.870 3.281 5 40 HGBB COc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 58160670 URZQLTXIKPIYFW-AWEZNQCLSA-N 418.881 3.406 5 40 HGBB CC[C@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540565 OMGIACULOOMAHT-QGZVFWFLSA-N 417.487 3.037 5 40 HGBB CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224751089 SYYAVUKWWQRQBP-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB COc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)cc1[N+](=O)[O-] 5255400 AHAKZMXXXBEXPO-KRWDZBQOSA-N 411.197 3.323 5 40 HGBB CCOC(=O)CN(c1ccc(CC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224775847 RWJMKZCWUFQQKZ-UHFFFAOYSA-N 406.460 3.224 5 40 HGBB O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 409014256 HUYOTOIXVOLZRC-WJDWOHSUSA-N 415.427 3.261 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 16347382 UGJBOFNDIIXOLA-UHFFFAOYSA-N 413.455 3.316 5 40 HGBB Cc1c(NC(=O)c2ccc(CS(=O)(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] 44949282 JPXUXBQXQNHGKV-UHFFFAOYSA-N 403.460 3.081 5 40 HGBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223600850 ZQLRCUROWCWLFG-OALUTQOASA-N 410.455 3.215 5 40 HGBB COCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409142151 LMCRYXKPNOVGNB-XNTDXEJSSA-N 401.400 3.465 5 40 HGBB C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1ccccc1)N1CCN(C)CC1 4270915 TVKBNPXOSYBYAA-OXJNMPFZSA-N 413.547 3.258 5 40 HGBB Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1ccc([N+](=O)[O-])cc1 4392638 DUUQQHDEBWQUBV-UHFFFAOYSA-N 410.455 3.324 5 40 HGBB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 6862666 WLYJBDJQSDAJJZ-UHFFFAOYSA-N 402.476 3.134 5 40 HGBB CN(C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)C1CCCC1 20107227 NNMZUQKQHNANOG-UHFFFAOYSA-N 417.487 3.191 5 40 HGBB CCc1ccc([C@@H](CNS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 83823625 GQROZNKBWKFZQF-LJQANCHMSA-N 416.503 3.220 5 40 HGBB COc1cc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)ccc1[N+](=O)[O-] 408559347 ZHERHMFSHFXIDS-UHFFFAOYSA-N 410.415 3.154 5 40 HGBB COc1ccc(N2C[C@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc1 8473848 WWGUGWJAKKFEOI-LLVKDONJSA-N 412.427 3.205 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@H]1C[C@H]2C[C@@H]3C[C@H]2C[C@H]1C3 217653189 BTUZUIDUPGWLIR-QTMHVTGLSA-N 416.542 3.291 5 40 HGBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)/N=c1\sccn1Cc1ccccc1Cl 3568820 RLSNOFSWLBPCML-ZPHPHTNESA-N 421.818 3.037 5 40 HGBB CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 4580731 QAINEJUFVOVFCC-OAHLLOKOSA-N 402.403 3.256 5 40 HGBB COc1ccc(OC)c(N2C[C@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)c1 2974549 IQBAICXSMZMOOM-QFIPXVFZSA-N 412.466 3.262 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1cccc(Br)c1 5550229 JEJJDZLHEZGLOO-UHFFFAOYSA-N 410.249 3.493 5 40 HGBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccncc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 17917892 AFCTZKYPTZBVGN-HSALFYBXSA-N 416.393 3.041 5 40 HGBB O=C(C[C@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc([N+](=O)[O-])c1 18992317 RXFNYZZKCNJYKA-MRXNPFEDSA-N 423.406 3.119 5 40 HGBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](C)c3nc[nH]n3)c([N+](=O)[O-])c2)c(C)c1 95455210 IXRMIZMZFPXVDA-ZDUSSCGKSA-N 416.463 3.304 5 40 HGBB Cc1c(N(CCCC(=O)NCC2=CCCCC2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224860790 APOHSMSHKNVWDU-UHFFFAOYSA-N 409.508 3.066 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@H]1Cc2ccccc2O1 25569809 QPJLCOMVDNLWHR-LLVKDONJSA-N 402.350 3.304 5 40 HGBB CCCC[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 2064364 YDIYFVFUKMAAAZ-GOSISDBHSA-N 424.409 3.176 5 40 HGBB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2150684 GBYIFYCKCWCRLP-SIKLNZKXSA-N 418.453 3.171 5 40 HGBB biogenic COc1cc(C(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)cc(OC)c1OC 2148749 HGRBRVHNIWTZAF-UHFFFAOYSA-N 416.415 3.391 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N 8646639 XWYQMMGWLAZFQX-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])cc1OC 19473567 KZZLXTMOSIBJIZ-JTQLQIEISA-N 423.809 3.235 5 40 HGBB Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(N3CCCC3=O)cc2)cc1[N+](=O)[O-] 7423407 OFQWBZJIMFXDID-UHFFFAOYSA-N 409.851 3.484 5 40 HGBB CCC[C@@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 6324801 MHPSJQXEBQOMPM-OAHLLOKOSA-N 405.476 3.095 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1-c1nnc2n1CCCCC2 12631465 CVKNBQVWMOEBPT-UHFFFAOYSA-N 413.459 3.381 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14629989 DDENKPLLFRABET-UHFFFAOYSA-N 401.291 3.253 5 40 HGBB Cc1ccccc1-n1ncc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1C1CC1 29755849 VKRWXJWXABQCGI-FQEVSTJZSA-N 406.442 3.430 5 40 HGBB O=C(NCCc1nnc2ccccn12)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 40131447 OFHDVQHKVPPUQS-UHFFFAOYSA-N 403.398 3.402 5 40 HGBB CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223505464 UOWJQXJXIKAXAA-MRXNPFEDSA-N 415.515 3.381 5 40 HGBB CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 3382679 NVKADSUANGQBLR-GFCCVEGCSA-N 418.402 3.195 5 40 HGBB CCC(CC)C(=O)OC[C@H](C(=O)OC1C[C@H]2[C@H]3O[C@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 5964841 QMSAITMOQPMPNH-QOOFGHBJSA-N 416.538 3.050 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cccc(C(=O)Nc2cccc([N+](=O)[O-])c2)n1 8664620 WVURDDINVUGPBH-UHFFFAOYSA-N 407.342 3.403 5 40 HGBB CS(=O)(=O)c1ccc(F)c(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 12526896 DEFHZCOYRGRCOY-UHFFFAOYSA-N 424.453 3.336 5 40 HGBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)Nc1ccccc1 5167747 IFOZPHIIYWVEFB-UHFFFAOYSA-N 406.427 3.430 5 40 HGBB COC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1C)C(Cl)(Cl)Cl 6194339 ZRKGECGUUUPXJP-SECBINFHSA-N 415.686 3.242 5 40 HGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccco1 8620545 ZJWXQYSDTKORSN-UHFFFAOYSA-N 403.420 3.206 5 40 HGBB CCOc1cc2c(cc1CNC(=O)CCn1ncc3ccc([N+](=O)[O-])cc31)O[C@H](C)C2 40115472 SMGXQJCLEWCIMH-CQSZACIVSA-N 424.457 3.373 5 40 HGBB COCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 408575438 LGBWRYPMUIRGPH-UHFFFAOYSA-N 417.487 3.233 5 40 HGBB CC(C)(C)NS(=O)(=O)c1ccc(NCCCNC2CCCCC2)c([N+](=O)[O-])c1 12537233 ORGURUUYFJVCKJ-UHFFFAOYSA-N 412.556 3.396 5 40 HGBB Cc1ccccc1-n1ncc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1C1CC1 29755847 VKRWXJWXABQCGI-HXUWFJFHSA-N 406.442 3.430 5 40 HGBB CC(=O)c1cn(CC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c2ccccc12 32089731 CYHZWZZLGLBIKI-UHFFFAOYSA-N 406.442 3.101 5 40 HGBB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 32754213 PBJIADIZUHOUJH-ZDUSSCGKSA-N 408.501 3.310 5 40 HGBB CC[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 408640118 AJTSIRLELNSILD-QFBILLFUSA-N 410.426 3.461 5 40 HGBB Cc1nn(CC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c(C)c1[N+](=O)[O-] 3431478 GSAMCQNBTDFQSK-UHFFFAOYSA-N 407.382 3.411 5 40 HGBB O=C(COC(=O)c1c(F)cccc1F)Nc1ccc([N+](=O)[O-])cc1Br 15379183 USHCTUUZESOYTN-UHFFFAOYSA-N 415.146 3.431 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1cc([N+](=O)[O-])ccc1O 16920791 LZUCMPAXQBDTLU-CHHVJCJISA-N 417.374 3.115 5 40 HGBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 22348316 SKETWUBYYNDEDW-IBGZPJMESA-N 419.503 3.245 5 40 HGBB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3cc(Cl)c([N+](=O)[O-])cc3c2=O)c1C 24991276 IGTDGOPOETYFHU-CQSZACIVSA-N 417.849 3.323 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H]1Cc2ccccc2O1 25569807 QPJLCOMVDNLWHR-NSHDSACASA-N 402.350 3.304 5 40 HGBB COC(=O)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 44471030 DFIWORCYURTZDI-GFCCVEGCSA-N 413.249 3.453 5 40 HGBB COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)s2)cc1 225685673 LWUIBYWDXJOLLP-UHFFFAOYSA-N 406.445 3.231 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(NCC3(N(C)C)CCCC3)c([N+](=O)[O-])c2)CC1 32916206 BBEQFFHUNJKSOC-UHFFFAOYSA-N 424.567 3.302 5 40 HGBB CC[C@H](C(=O)Nc1ccc(F)cc1F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521817 FRMWOFXVFQEBCE-MRXNPFEDSA-N 413.402 3.056 5 40 HGBB NC(=O)C1CCN([C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 21131221 QPPKXTCTJJNMOO-SFHVURJKSA-N 416.865 3.125 5 40 HGBB COc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 58160671 URZQLTXIKPIYFW-CQSZACIVSA-N 418.881 3.406 5 40 HGBB CC(C)(C)N(Cc1cccc(F)c1)C(=O)Cn1c(=O)oc2cc([N+](=O)[O-])ccc21 64307329 RWQIUVPMWWIIHK-UHFFFAOYSA-N 401.394 3.469 5 40 HGBB Cc1ccc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 225926284 PYYUGIKFXCZGHB-UHFFFAOYSA-N 417.487 3.251 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2C(C)C 225707886 KMIRRZHWVDRFES-UHFFFAOYSA-N 423.472 3.362 5 40 HGBB Cc1cccc(C)c1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17089902 SJLWPTCJLXNUIW-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB O=C(c1nn(-c2ccccc2)c2c1CCC2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 22196517 JMGJCHNKCASREE-UHFFFAOYSA-N 417.469 3.232 5 40 HGBB C[C@H](OC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 10956040 HAYYEEQTTHSUAD-PEBVRCNWSA-N 411.370 3.478 5 40 HGBB O=C(COC(=O)c1ccc([N+](=O)[O-])o1)/N=c1/sccn1Cc1ccccc1Cl 104727397 RLSNOFSWLBPCML-HTXNQAPBSA-N 421.818 3.037 5 40 HGBB Cc1cc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 223419614 BMHLUXDRJQRCFU-INIZCTEOSA-N 419.503 3.163 5 40 HGBB CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408568305 SXNKMHKJAAVMSL-XKPYVIEYSA-N 423.469 3.148 5 40 HGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 15009212 OJTCGXRVFGFCTD-VQHVLOKHSA-N 409.398 3.450 5 40 HGBB Cc1ccc(NC(=O)CCNC(=O)NC23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 15409119 SZTFOVOAENDPHG-UHFFFAOYSA-N 400.479 3.500 5 40 HGBB Cc1c(C(=O)N2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cccc1[N+](=O)[O-] 97115129 VOPYEQINRMIPES-UHFFFAOYSA-N 424.417 3.040 5 40 HGBB CN1CCN(c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)CC1 216929196 HRKVGYCTALEPOB-UHFFFAOYSA-N 400.504 3.219 5 40 HGBB CCOC(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 6089416 ADOHRBVCQGCXAQ-SECBINFHSA-N 415.686 3.324 5 40 HGBB O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1cccc([N+](=O)[O-])c1 6446988 RHWBGMNDIBXKJX-UHFFFAOYSA-N 410.415 3.107 5 40 HGBB C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 8394692 TUGLPUQFXFQKJH-ZDUSSCGKSA-N 407.382 3.176 5 40 HGBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc([N+](=O)[O-])c2C)CC1 10010428 IVESITUSUTYCRH-UHFFFAOYSA-N 416.865 3.477 5 40 HGBB Cc1ccc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)cc1[N+](=O)[O-] 10313203 ZHNYIXLJAKRLFC-UHFFFAOYSA-N 407.430 3.172 5 40 HGBB CC(C)(CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)N1CCOCC1 32780871 DKFDJECVTHXCSM-UHFFFAOYSA-N 407.854 3.349 5 40 HGBB COc1ccccc1C[C@H](O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1317974 BZZSAOAUTFSBKG-ZWKOTPCHSA-N 400.495 3.100 5 40 HGBB biogenic COc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2C)c([N+](=O)[O-])c1 4454453 BPJHJHCRCFPSHO-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCC[C@H](C)C3)c(Cl)cc12 4708617 HHLHJSYNWPLMLF-ZDUSSCGKSA-N 405.907 3.230 5 40 HGBB CCOC(=O)C1=C(COc2cc(F)ccc2[N+](=O)[O-])NC(=O)N[C@@H]1c1cccs1 8723714 MLUGJISRUGTKIK-MRXNPFEDSA-N 421.406 3.046 5 40 HGBB CC(C)(C)c1ccc([C@]2(C)NC(=O)N(CC(=O)Nc3cccc([N+](=O)[O-])c3)C2=O)cc1 8948414 PISODYASYBXLOM-QFIPXVFZSA-N 424.457 3.298 5 40 HGBB CCCc1ccc(OCCNC(=O)c2cc([N+](=O)[O-])c(N(C)C)cc2OC)cc1 45206847 BFECYWODTMTDJP-UHFFFAOYSA-N 401.463 3.431 5 40 HGBB Cc1c(N(CC(=O)Nc2cccc(OC(C)C)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220031259 ZMQIONQUEXCZGV-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB CCc1nnc(NC(=O)[C@@H](NC(=O)c2cc([N+](=O)[O-])ccc2Cl)C(C)C)s1 3433285 PHROETCGSKLJQO-ZDUSSCGKSA-N 411.871 3.055 5 40 HGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)N1CCCC1 7881120 FPTKJISKKLIZJL-UHFFFAOYSA-N 403.460 3.248 5 40 HGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1 32640709 GFTTYJGTCKASPW-ZWKOTPCHSA-N 417.512 3.178 5 40 HGBB C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])Cn1ccnc1 40139246 KKRUHLUAZPTAGV-INIZCTEOSA-N 421.523 3.104 5 40 HGBB COCCN(Cc1ccc(F)cc1Cl)c1nc2ccccn2c(=O)c1[N+](=O)[O-] 79111642 GLKUHWMNXQEMPY-UHFFFAOYSA-N 406.801 3.048 5 40 HGBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OC 409350689 YUBSFUCANCSIMB-PLNGDYQASA-N 412.196 3.136 5 40 HGBB COc1cc(/C=C/C(=O)N2CCN(c3ccc(F)cc3)CC2)c([N+](=O)[O-])cc1OC 1095936 WCJFUCNJKATEBH-FPYGCLRLSA-N 415.421 3.113 5 40 HGBB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 1167596 GUCHTICDTDIGHH-DHDCSXOGSA-N 402.384 3.454 5 40 HGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCC2 2249492 NKLOEXVMHMCGID-UHFFFAOYSA-N 405.388 3.482 5 40 HGBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 3498283 DOKVPIOYUXTHGE-SNVBAGLBSA-N 408.794 3.449 5 40 HGBB COc1ccccc1CNC(=O)CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1 4355883 FRJVNUGTJOEIOK-UHFFFAOYSA-N 410.455 3.469 5 40 HGBB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 5360836 YFLNKMWUWSEIQD-UHFFFAOYSA-N 408.292 3.285 5 40 HGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(N2CCCC2=O)cc1 9932156 GUHZQTYMWUHQIG-UHFFFAOYSA-N 410.474 3.498 5 40 HGBB O=C(CSc1ncc(CO)n1Cc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 10336394 HMVAKDFBTFSJJI-UHFFFAOYSA-N 416.434 3.202 5 40 HGBB C[C@H]1CN([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 16790849 NYFHBIAJUKMRKB-RBZYPMLTSA-N 410.685 3.130 5 40 HGBB COc1ccc([N+](=O)[O-])cc1COC(=O)c1ccc(CNC(=O)NC(C)C)cc1 26624443 UINXZSXUVVZHPP-UHFFFAOYSA-N 401.419 3.168 5 40 HGBB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 6840695 HGXVEOGLOGIQEU-QGZVFWFLSA-N 404.806 3.005 5 40 HGBB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409181893 GNQZSVXTFNSIKH-UHFFFAOYSA-N 406.778 3.255 5 40 HGBB COc1cccc(OC)c1C(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 409021873 CUBFEKACYMFNFN-UHFFFAOYSA-N 413.430 3.103 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 260588497 KCGSHTXKDHTCCN-ZIAGYGMSSA-N 423.466 3.074 5 40 HGBB O=C(Nc1ccccc1I)c1cccc([N+](=O)[O-])c1C(=O)O 3151242 QJGMRYRNUOKKQI-UHFFFAOYSA-N 412.139 3.150 5 40 HGBB C[C@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)oc3ccc4ccccc4c13)CS2 5876498 ASZKUMAYWMBWQH-AOMKIAJQSA-N 409.463 3.443 5 40 HGBB O=c1ccc2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cc2o1 9562698 CEOFZUZLGMAFRY-UHFFFAOYSA-N 416.411 3.278 5 40 HGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1nc(-c2cccs2)oc1=O 16144220 AYBCPKDYJYQLLA-LBPRGKRZSA-N 402.432 3.083 5 40 HGBB CCOc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1[N+](=O)[O-] 59513557 PGXSTXILWKTBEY-UHFFFAOYSA-N 417.472 3.433 5 40 HGBB CCOc1ccc([C@H](N)c2n[nH]c(COc3cccc([N+](=O)[O-])c3)n2)cc1OCC 95534582 YJMCKFSVJRJQGD-IBGZPJMESA-N 413.434 3.137 5 40 HGBB CS(=O)(=O)N(CCCC(=O)N1CCCc2ccccc21)c1cccc([N+](=O)[O-])c1 222365515 UAMVBLMQKXTHLO-UHFFFAOYSA-N 417.487 3.120 5 40 HGBB COc1nn(Cc2nc3c4c(-c5ccccc5)c(C)sc4ncn3n2)cc1[N+](=O)[O-] 2791943 XJISRVHMWBCTJI-UHFFFAOYSA-N 421.442 3.476 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 5149066 AWNCKJYGWHRAPA-DNVCBOLYSA-N 406.394 3.425 5 40 HGBB Cc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)oc3ccccc23)cc1[N+](=O)[O-] 12776017 AMJSOFZJVDBTDM-UHFFFAOYSA-N 409.398 3.374 5 40 HGBB Cc1cc(C)n(-c2ccc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cc2)n1 48356457 NALRXBUVNLPLEG-UHFFFAOYSA-N 419.485 3.355 5 40 HGBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1cccnc1Cl 4840184 SAPSSADDRYCKBF-UHFFFAOYSA-N 404.810 3.039 5 40 HGBB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12516205 GSMUMDICHFDKMX-UHFFFAOYSA-N 423.425 3.038 5 40 HGBB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142688 CWNOALKSFATBNF-UHFFFAOYSA-N 405.794 3.035 5 40 HGBB Cc1c(NC(=O)CCN2CCC(NC(=O)c3ccccc3)CC2)cccc1[N+](=O)[O-] 26342426 RETNBGHTANDXJM-UHFFFAOYSA-N 410.474 3.126 5 40 HGBB O=C([C@@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 36392010 GFEQZDJEYWFPIS-IBGZPJMESA-N 413.861 3.438 5 40 HGBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(NC(=O)C(F)(F)F)c1 39747402 RZFKHQJCBYEKAP-UHFFFAOYSA-N 421.291 3.398 5 40 HGBB O=C(Cn1c(=O)oc2ccccc21)N(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 59253375 HFJVVIMVZBFTGI-UHFFFAOYSA-N 409.320 3.094 5 40 HGBB CSc1ccc(S(=O)(=O)N(CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1 224995921 VVVILVRPAKMXMF-UHFFFAOYSA-N 416.864 3.250 5 40 HGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 408575283 UAXQRBHQNWTSJX-UHFFFAOYSA-N 417.849 3.387 5 40 HGBB Cn1cc([C@H]2[C@H](CNCc3ccc(Cl)c([N+](=O)[O-])c3)CC(=O)N2C(C)(C)C)cn1 583622135 RLAXABLYVNLIRP-IFXJQAMLSA-N 419.913 3.460 5 40 HGBB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OCC 4846283 VTSSQOKGJNGEPW-UHFFFAOYSA-N 402.403 3.496 5 40 HGBB CC(C)n1ncc2c(C(=O)NC[C@@H](O)c3ccc([N+](=O)[O-])cc3)cc(C3CC3)nc21 14095692 SFRMVDMPTRZCRO-LJQANCHMSA-N 409.446 3.261 5 40 HGBB COC(=O)C[C@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 40079796 GBLAMWBYULBBRU-HNNXBMFYSA-N 402.794 3.159 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1C[C@@H]1CCCO1 887434 AIZVJGAHMFGIRU-WFASDCNBSA-N 405.480 3.101 5 40 HGBB COc1cc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc(OC)c1OC 2468583 SHBCXEOFDCFFQV-XOBRGWDASA-N 415.402 3.390 5 40 HGBB COc1ccc(Br)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c1 9511990 YRCOTEVYPSDNPN-UHFFFAOYSA-N 420.263 3.328 5 40 HGBB COC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCN(C)C2 408575330 JWNVAXGCECAODM-UHFFFAOYSA-N 409.851 3.337 5 40 HGBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@]2(C1)C(=O)Nc1ccccc12 683573583 KCCZDHBEANQQAS-RUZDIDTESA-N 409.445 3.417 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1ccc([N+](=O)[O-])cc1 837651 VQHMHUDCXQAMHA-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB CCc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1 7939838 QZIZDAQCIMRWCH-UHFFFAOYSA-N 413.430 3.448 5 40 HGBB Cc1ccccc1[C@@H](C)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 36452051 QHVUFLPCZGCOJW-MRXNPFEDSA-N 418.519 3.012 5 40 HGBB C[C@@H]1CCCN(c2ccc(C(=O)N3CCN(c4ccc(O)cc4)CC3)cc2[N+](=O)[O-])C1 6328251 NCBCDVRCIIKYLM-QGZVFWFLSA-N 424.501 3.499 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1)c1ccc(=O)n(-c2ccccc2)n1 95468124 VXPJLGIUQKJHGF-UHFFFAOYSA-N 404.304 3.412 5 40 HGBB CCSc1ccccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220036958 OKWNYSXYCPVMBA-UHFFFAOYSA-N 423.516 3.420 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1cccc([N+](=O)[O-])c1 13590486 WFXYNCRZKYHEMJ-INIZCTEOSA-N 424.291 3.113 5 40 HGBB Cc1cccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)c1 16921000 ZDRWKMSYWXVZRO-PXNMLYILSA-N 413.411 3.284 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 4070846 QCLVKHFAPZIPDA-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB Cc1cc(C)n(Cc2cccc(CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c2)n1 40139245 DTIKWLIMJOITNX-UHFFFAOYSA-N 414.487 3.472 5 40 HGBB CCOC(=O)C1=C(C)Nc2nc(SC)nc(O)c2[C@@H]1c1cccc([N+](=O)[O-])c1 4136400 LXTKTBPRORZVMS-CYBMUJFWSA-N 402.432 3.207 5 40 HGBB O=C(COc1ccccc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 5200789 XPDUDEZQXXLBCK-UHFFFAOYSA-N 409.364 3.341 5 40 HGBB COc1ccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(OC)c1 12536429 XKEKISFGRGGPGA-UHFFFAOYSA-N 413.474 3.487 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)s1 23043162 PAIFBYRTXHMUOB-CQSZACIVSA-N 423.516 3.313 5 40 HGBB CC(=O)N1CCc2cc(NS(=O)(=O)c3cc(C)cc([N+](=O)[O-])c3Cl)ccc21 95460474 PDDZKJHYFJGZTO-UHFFFAOYSA-N 409.851 3.266 5 40 HGBB CN(c1ccc(I)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225001515 SKXQDRPNJDGXJG-UHFFFAOYSA-N 418.212 3.025 5 40 HGBB O=C(O)CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409144003 OZLVJPNEGZVCIY-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB Cc1cccc([C@@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)n1 1070705 NDUDDYRBTWBKPT-LJQANCHMSA-N 403.398 3.210 5 40 HGBB CCN1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 6241900 IKVLMHMDEWIKQF-UHFFFAOYSA-N 418.881 3.408 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1[N+](=O)[O-] 11671965 SQAJRSVAUBUURX-UHFFFAOYSA-N 408.413 3.072 5 40 HGBB Cc1nc2n(c1CN1CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC1)CCCC2 95467516 ZBCGIRINWUHYKI-UHFFFAOYSA-N 412.519 3.368 5 40 HGBB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 1749364 LGDYHZGGDFTWSK-UHFFFAOYSA-N 419.484 3.449 5 40 HGBB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1C 4840600 QSEONKXXOFBSKR-BFYDXBDKSA-N 403.479 3.293 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1nc2ccccc2o1 8429462 IQVOCFNQVQUUGV-UHFFFAOYSA-N 403.416 3.100 5 40 HGBB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OC)c([N+](=O)[O-])c3)C2=O)o1 9260166 LBAUGCQJIGIYFZ-OVCLIPMQSA-N 418.383 3.220 5 40 HGBB CSc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 9284202 IKGXZBITKLZYOM-LLVKDONJSA-N 418.427 3.272 5 40 HGBB CCCCOc1ccc(N2C(=O)[C@@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 103140264 SKEXRTWFRRASLF-IEBWSBKVSA-N 409.398 3.066 5 40 HGBB O=C(CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)OCc1cc(=O)oc2ccc3ccccc3c12 6324058 TZUCACZSFJNRSM-QZTJIDSGSA-N 419.433 3.165 5 40 HGBB Cc1cc(C(=O)COc2cccnc2[N+](=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 6477119 WRMPZFYMZIFCTG-UHFFFAOYSA-N 409.398 3.447 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)ccc1Cl 8861457 XXJXFTWRCQHCRB-UHFFFAOYSA-N 414.230 3.283 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1Cl 8902451 LHBDDROFMSJRPJ-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB CCc1ccc([C@@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1 10296273 VIKGUWIXRGKDNI-GOSISDBHSA-N 416.401 3.001 5 40 HGBB C[C@H](OC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 10956035 HAYYEEQTTHSUAD-BWACUDIHSA-N 411.370 3.478 5 40 HGBB COc1ccc([C@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 12062531 FGDWJXVKAMKECD-FQEVSTJZSA-N 413.474 3.326 5 40 HGBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)Nc1ccc([N+](=O)[O-])cc1 13370406 OWSYKZNRLCBOKD-UHFFFAOYSA-N 401.360 3.284 5 40 HGBB COc1ccc(S(=O)(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])c1 32895702 YLUCKDFKCGSZDJ-LJQANCHMSA-N 422.459 3.050 5 40 HGBB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 42379128 UVTBSAHCTPQXNR-UHFFFAOYSA-N 402.413 3.326 5 40 HGBB CCOc1ccc(N([C@@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220671254 IPPHJHFQNSCOMC-SFHVURJKSA-N 421.475 3.177 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1N 8646635 JESAODQXDMVOMX-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1cccc(C)c1 9010318 KQOPNTAEDSIVLQ-VQHVLOKHSA-N 409.398 3.450 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714614 FOIHNAKMNXQJND-INIZCTEOSA-N 411.867 3.432 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@H]1CSCN1C(=O)OCc1ccccc1 408736361 BCPNOIDJSFXALY-MRXNPFEDSA-N 405.407 3.384 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NC(C)C)cc1 409249604 JZEFITCWAACOMA-UHFFFAOYSA-N 405.476 3.161 5 40 HGBB COc1ccc(C)c2sc(N(CCN(C)C)C(=O)c3ccc([N+](=O)[O-])o3)nc12 4359410 NSEPJAJNPFWLSV-UHFFFAOYSA-N 404.448 3.323 5 40 HGBB CC1CCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)CC1 4714201 USECZJNTUGTMDP-UHFFFAOYSA-N 417.487 3.049 5 40 HGBB COCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2nc3ccccc3nc21 8828371 GAOZRSHYJJNXHH-UHFFFAOYSA-N 408.374 3.499 5 40 HGBB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OC(F)F 9247311 YHVFUSJABDDLNX-YCRREMRBSA-N 422.340 3.400 5 40 HGBB O=[N+]([O-])c1ccc(N2CCN(Cn3nnn(C4CCCCC4)c3=S)CC2)cc1 12522133 OGIFQWQEIRKLAX-UHFFFAOYSA-N 403.512 3.002 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)cc1 19164842 YGTGWKMEZCFFSX-UHFFFAOYSA-N 417.487 3.251 5 40 HGBB CN1CCN(C(=O)CCc2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)CC1 19537338 ANCLARLPQXUSMF-UHFFFAOYSA-N 414.418 3.002 5 40 HGBB CCC(=O)Oc1cn(CCN2CCOCC2)c2nc(CC)n3c4ccccc4nc3c12 20403666 YCYDVLNIFUFUDR-UHFFFAOYSA-N 421.501 3.047 5 40 HGBB COc1cc(C)c(CN2CCN(C(=O)c3cccc(C)c3[N+](=O)[O-])CC2)cc1OC 21763327 FMKLDICEMVWDMF-UHFFFAOYSA-N 413.474 3.187 5 40 HGBB COc1ccc(Cn2ccc3nc4ccn(-c5ccncc5)c(=O)c4cc3c2=O)cc1 36125565 QGCDJMJDGJEEKH-UHFFFAOYSA-N 410.433 3.153 5 40 HGBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102728716 SIPUPZSEKHAJRB-ZCNNSNEGSA-N 416.393 3.041 5 40 HGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408687831 VGIPATSDYYHESH-XFQXTVEOSA-N 419.437 3.349 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3cccc(F)c3)cc2Cl)cc1 2804566 GERKRDUCFVNKQW-UHFFFAOYSA-N 410.814 3.433 5 40 HGBB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1=O 4306583 UREGOMQRJBLYAP-NRFANRHFSA-N 410.430 3.007 5 40 HGBB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@H](C)C2 12560469 WXJBZPDZAKAHAK-LLVKDONJSA-N 408.432 3.126 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713685 PSPLRYHHXKCTBK-GOSISDBHSA-N 405.476 3.395 5 40 HGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc([N+](=O)[O-])c1 17082633 YPQAKBOLPUZKKS-UHFFFAOYSA-N 403.401 3.240 5 40 HGBB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc1O 67351052 XTFVUJMWJZYJPC-UHFFFAOYSA-N 401.419 3.051 5 40 HGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 139081378 JUEKEPRSEXZQCM-VQTJNVASSA-N 419.437 3.494 5 40 HGBB O=C1c2cc(N3CCOCC3)c([N+](=O)[O-])cc2C(=O)N1c1cccc2c1CCCC2 4139579 FJVOYJMACHGURK-UHFFFAOYSA-N 407.426 3.111 5 40 HGBB COc1ccc(C(=O)C[C@]2(O)C(=O)Nc3cc(Cl)cc(Cl)c32)cc1[N+](=O)[O-] 5255403 AHAKZMXXXBEXPO-QGZVFWFLSA-N 411.197 3.323 5 40 HGBB O=c1[nH]c(/C=C/c2cn(Cc3ccccc3F)c3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 6423084 AKHNXKHNVMSLTR-MDZDMXLPSA-N 406.373 3.284 5 40 HGBB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2c(OC)cc([N+](=O)[O-])cc2s1 9707682 QVEZEMLOAKNZCQ-UHFFFAOYSA-N 421.456 3.259 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 8318256 HQJROSKJDRBYFN-INIZCTEOSA-N 417.487 3.251 5 40 HGBB Cc1ccccc1C1(O)CCN(C(=O)c2ccn(-c3ccc([N+](=O)[O-])cc3)n2)CC1 72303045 SSDYBPLWEXCJOK-UHFFFAOYSA-N 406.442 3.213 5 40 HGBB COc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 32100988 YHDXAKMDDOOUBZ-GOSISDBHSA-N 423.347 3.033 5 40 HGBB Cc1cccc(C)c1NC(=O)CN1CCN(Cc2cc(F)ccc2[N+](=O)[O-])CC1 32936883 KRFNJICOTPQCAU-UHFFFAOYSA-N 400.454 3.107 5 40 HGBB CCc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 225797198 USUXIOVLXDUXQW-HUUCEWRRSA-N 419.503 3.189 5 40 HGBB CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 223867605 ULJYBBJKFVYPEV-GOSISDBHSA-N 421.475 3.095 5 40 HGBB CC(C)C[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 11679411 JHAUKKFYJPCIKZ-FGTMMUONSA-N 400.431 3.004 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 7872147 RSQOGERLJFIQRB-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3c(F)cccc3Cl)n2)cc1 2767743 CVIVCFPMZODEFL-UHFFFAOYSA-N 410.814 3.433 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@@H]1C[C@H]2C[C@H]3C[C@H]1C[C@H]2C3 100727461 BTUZUIDUPGWLIR-BRIYLRKRSA-N 416.542 3.291 5 40 HGBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccccc1[N+](=O)[O-] 12855507 GRMMRRNWLRNWFA-UHFFFAOYSA-N 420.425 3.403 5 40 HGBB COc1ccccc1[C@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)N1CCCCC1 62640091 KAFPVQLESKUFPN-IBGZPJMESA-N 412.490 3.451 5 40 HGBB O=C(CSc1ccc(Cl)cc1)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154397 FISSZGRDXNOYPT-UHFFFAOYSA-N 406.895 3.389 5 40 HGBB CCOc1ccccc1-c1noc(CN2CCN(c3ccccc3[N+](=O)[O-])CC2)n1 12761926 FBQXWKUMVBNNPF-UHFFFAOYSA-N 409.446 3.366 5 40 HGBB CC(C)C(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 16017012 HIEORICGNZZDBF-UHFFFAOYSA-N 412.446 3.278 5 40 HGBB CCOc1cc(/C=C/c2nc3ncnn3c(O)c2[N+](=O)[O-])cc(Cl)c1OCC 16688373 DCOMOWDGFQOZEQ-AATRIKPKSA-N 405.798 3.359 5 40 HGBB CCOC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)OCC)c1ccc([N+](=O)[O-])cc1 17146120 COXAROUYLKIQFD-HDICACEKSA-N 416.386 3.497 5 40 HGBB O=C(COC(=O)c1ccco1)c1ccc(-n2nncc2-c2ccc([N+](=O)[O-])cc2)cc1 845557 AEJBOWDWYFMMAX-UHFFFAOYSA-N 418.365 3.475 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)C1CCC(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)CC1 4544738 CFDWYVNTLZLSIP-FEXKMXLESA-N 411.458 3.123 5 40 HGBB CC1CCN(c2ccc(C(=O)OCC(=O)NCc3cccs3)cc2[N+](=O)[O-])CC1 4835440 XSLVKXAYCVWDPH-UHFFFAOYSA-N 417.487 3.366 5 40 HGBB COc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2)cc1Br 6275149 VEYNMWWJXSYJLG-UHFFFAOYSA-N 410.249 3.493 5 40 HGBB Cc1sc2nc(CN3CCOCC3)nc(-n3ncc4ccc([N+](=O)[O-])cc43)c2c1C 22287020 ZZKURRMLBNZLGZ-UHFFFAOYSA-N 424.486 3.387 5 40 HGBB CSc1n[nH]c(-n2ccc3nc4ccn([C@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1 40398864 DIVOGUQDRRZMQA-SJCJKPOMSA-N 422.514 3.292 5 40 HGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(F)(F)F)[C@@H]1c1cccc([N+](=O)[O-])c1 49113251 INXXHECQFQBZDC-OAHLLOKOSA-N 414.336 3.108 5 40 HGBB biogenic Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 7881461 RLKCUGCBOZANSN-CQSZACIVSA-N 416.817 3.336 5 40 HGBB O=C(Cn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9698303 CISNYJISKUMEBI-UHFFFAOYSA-N 407.426 3.460 5 40 HGBB COC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(Cc2ccccc2)CC1 12527732 NZZRPZBFAHWYKE-UHFFFAOYSA-N 412.442 3.384 5 40 HGBB CCN1C[C@H](CN(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])Oc2ccccc21 12768674 QRAAQCWUPYGCKV-HNNXBMFYSA-N 400.435 3.355 5 40 HGBB C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 24263508 VNWDUMAJDWGYOQ-HUUCEWRRSA-N 411.458 3.141 5 40 HGBB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 36892400 JBLIQDCLUSKIOA-LJQANCHMSA-N 422.441 3.165 5 40 HGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 218456120 WUNFDTJMRRFTHF-SNVBAGLBSA-N 415.830 3.181 5 40 HGBB CCOc1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515112 OYDUKVYDZQWJIV-QGZVFWFLSA-N 421.475 3.177 5 40 HGBB CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 223581505 GREHHGRPOYZLSJ-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 1759816 GMDNMQPTZZXDTE-SFHVURJKSA-N 416.430 3.480 5 40 HGBB O=C(O)CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 4576423 YWDFCBMNVJWABN-FQEVSTJZSA-N 406.398 3.395 5 40 HGBB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 9714602 KSDAWAWTVOZFOG-LJQANCHMSA-N 417.805 3.082 5 40 HGBB Cc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 220378330 NGFGKTCFRKEVDM-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB COc1ccc([C@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cn1cccn1 84647820 LPEUZESGOLHAIF-AWEZNQCLSA-N 410.430 3.348 5 40 HGBB Cc1nc2ncccc2c(=O)n1-c1ccc(NC(=O)c2ccccc2[N+](=O)[O-])cc1 7508491 GTYKFNZSZCNLSM-UHFFFAOYSA-N 401.382 3.250 5 40 HGBB Cn1ccnc1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 12559556 BRGSVJAQNXWVNQ-KRWDZBQOSA-N 404.423 3.072 5 40 HGBB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNc2ccccc2[N+](=O)[O-])n1 48289548 QZNLQQKHEGEPOF-UHFFFAOYSA-N 406.874 3.116 5 40 HGBB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 7360059 UMTACBVLSFXPEY-OAHLLOKOSA-N 414.893 3.348 5 40 HGBB CN(Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)CCC(=O)O 8861905 AVQVZMPRDBZIEJ-UHFFFAOYSA-N 408.414 3.271 5 40 HGBB Cc1cc(Cl)cc([N+](=O)[O-])c1C(=O)Nc1cccc(OCCS(C)(=O)=O)c1 97141266 BJMYRYYDMSKHGQ-UHFFFAOYSA-N 412.851 3.232 5 40 HGBB CCOC(=O)COc1ccc([C@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 32916077 YSUKYSDRFZZRPO-ZDUSSCGKSA-N 402.403 3.036 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716505 NWTMQTGQTORFLM-SFHVURJKSA-N 405.476 3.395 5 40 HGBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 1634420 XEVHPUJPPIXGEM-UHFFFAOYSA-N 413.415 3.334 5 40 HGBB COc1ccc(-c2nc(CCNC(=O)COc3ccccc3[N+](=O)[O-])cs2)cc1 27994996 MNOQWNLHVCJHEF-UHFFFAOYSA-N 413.455 3.465 5 40 HGBB O=C1c2cccc3cc([N+](=O)[O-])cc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8398338 SUXVUHFSCDKTPS-UHFFFAOYSA-N 423.297 3.188 5 40 HGBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 8904405 XCOGCFRGMDQSKP-UHFFFAOYSA-N 420.853 3.398 5 40 HGBB CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@@H]1C[C@@H](OCC)C12CCCCC2 78874850 IPLTWCAPFFEFMP-QZTJIDSGSA-N 405.495 3.123 5 40 HGBB CCCCCn1c(=O)c2ccccc2n2c(Cn3nc(C)c([N+](=O)[O-])c3C)nnc12 5689844 IKUPKDOCDLDGLG-UHFFFAOYSA-N 409.450 3.004 5 40 HGBB COc1ccc(C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])c(OC)c1OC 6825496 KFKBFJJFRZJVKT-UHFFFAOYSA-N 418.402 3.033 5 40 HGBB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 15881990 LBTMGCZHPWMVMK-GOSISDBHSA-N 418.402 3.272 5 40 HGBB O=C(CCn1nc2ccccn2c1=O)N(Cc1ccc([N+](=O)[O-])cc1)c1ccccc1 72304613 ZFGBMMVOXLFGQN-UHFFFAOYSA-N 417.425 3.028 5 40 HGBB CC[C@@H](C(=O)Nc1cc(C)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222519461 BFLUGSASYXCMNC-KRWDZBQOSA-N 421.475 3.095 5 40 HGBB COc1ccc([C@H](CNC(=O)Cn2nccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 604114443 AZDQYXYWPZZNKX-SFHVURJKSA-N 419.441 3.230 5 40 HGBB Cc1nc2ccccc2n1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 7200455 HBZVDOQCZPEPKL-UHFFFAOYSA-N 413.865 3.255 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O 8050132 UYSXEVBXBWKGOL-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=C(O)C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-] 9958326 QJCLHVPLLULAMA-GFCCVEGCSA-N 419.242 3.396 5 40 HGBB Cc1cc(=O)c(C(=O)NCCc2cccc(Cl)c2)nn1-c1ccccc1[N+](=O)[O-] 12948355 KJZZZUCXOGWHDV-UHFFFAOYSA-N 412.833 3.075 5 40 HGBB Cc1nn(CC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccsc2)c(C)c1[N+](=O)[O-] 84013810 LRRQHUMYKMZTNV-GOSISDBHSA-N 414.487 3.232 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 7594501 FVEORQRDLYSVIF-UHFFFAOYSA-N 408.370 3.274 5 40 HGBB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 12950530 PIOLYYIJYWTSFB-AWEZNQCLSA-N 410.407 3.037 5 40 HGBB COC(=O)C[C@H](C)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 34168677 BVRUHPOPLACNJO-LBPRGKRZSA-N 400.387 3.238 5 40 HGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 205759872 VEMKLJPZGSEIPD-OVCLIPMQSA-N 402.384 3.373 5 40 HGBB CCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3cccc(C)c3nc21 101124842 HDJGZVGKTCCVIW-UHFFFAOYSA-N 421.888 3.040 5 40 HGBB COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1791708 IIHNVNSPFZIINW-INIZCTEOSA-N 414.478 3.388 5 40 HGBB biogenic O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(Cl)cc1 15277980 CAWAKZUTZPEBQV-UHFFFAOYSA-N 404.806 3.125 5 40 HGBB CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@H](OCC)C12CCCCC2 78874847 IPLTWCAPFFEFMP-ROUUACIJSA-N 405.495 3.123 5 40 HGBB CN1CCc2c(sc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)c2C(N)=O)C1 9390614 NLGFKBWYRHUJEF-UHFFFAOYSA-N 416.484 3.210 5 40 HGBB C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 12609001 VPWAIIPQPXOSRB-CQSZACIVSA-N 402.882 3.491 5 40 HGBB CCOC(=O)C1=C(C)N[C@H](c2ccccc2[N+](=O)[O-])N[C@H]1c1ccccc1[N+](=O)[O-] 19872862 SWGJSVWPFFSGRV-OALUTQOASA-N 412.402 3.273 5 40 HGBB O=C(NCCNC(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1)c1ccccc1 40050965 MASQEXHCGWBUEM-UHFFFAOYSA-N 404.426 3.498 5 40 HGBB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccccc2[N+](=O)[O-])CCO1 96118372 UKHFDAHBTFYATG-ZBEGNZNMSA-N 418.475 3.402 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 408562829 DRQDEYGYBIXICN-CZUORRHYSA-N 401.341 3.003 5 40 HGBB C[C@@H](c1ccccc1Cl)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 29530248 RHOPRWPHWZGARZ-ZDUSSCGKSA-N 413.865 3.368 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1nc2ccc(N3CCOCC3)cc2s1 6423004 DEUAXDMIOXDXDZ-UHFFFAOYSA-N 414.443 3.059 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc2c(=O)n(-c3ccccc3)c(=O)[nH]c2c1 12850685 MNKYVGZRONYQSB-UHFFFAOYSA-N 416.393 3.148 5 40 HGBB CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224765461 XOHLDNCCSIZRHR-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762508 XTCHULINDGEFDT-CQSZACIVSA-N 409.398 3.151 5 40 HGBB CCCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 1763884 CTCRQEJWSMQTHI-ATVHPVEESA-N 408.439 3.063 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2c(c1)OCCO2 5829200 BXTYWTDHVPXRJP-UHFFFAOYSA-N 419.459 3.284 5 40 HGBB Cc1cccc(C(=O)N[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)C)c1 5895259 HPSRXDNESJNLFM-NRFANRHFSA-N 424.501 3.006 5 40 HGBB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 7496743 RETSTEGMQCFOHA-UHFFFAOYSA-N 413.430 3.249 5 40 HGBB COc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl 408569428 WTRRYCKQJQRFBX-KRQVXIAISA-N 413.861 3.403 5 40 HGBB O=[N+]([O-])c1ccc(COc2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1 409327938 NTBUEGKTCVTHCS-YHYXMXQVSA-N 410.342 3.454 5 40 HGBB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C 5746059 QSTNGCMISWIUOU-JTQLQIEISA-N 408.794 3.408 5 40 HGBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 5947939 LCVQIGKRXCZMTG-PILJQMSFSA-N 415.427 3.373 5 40 HGBB Cc1nc2ccccc2nc1COC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 32830244 WNQRQLNULQYZCO-UHFFFAOYSA-N 408.414 3.040 5 40 HGBB COC1(c2nc(CC(F)(F)F)no2)CCN(Cc2cccc([N+](=O)[O-])c2)CC1 555985277 KMUCYUDXKJRRNW-UHFFFAOYSA-N 400.357 3.220 5 40 HGBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nc2c([nH]c3ccccc32)c1=O 4106564 GGVVXSRJOCYUFW-UHFFFAOYSA-N 409.427 3.054 5 40 HGBB O=C(NCc1ccco1)c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1 20455399 JSUMGEFFQOWWRK-UHFFFAOYSA-N 415.427 3.060 5 40 HGBB CCCNC(=O)N1CCN(C(=O)c2sc3cc([N+](=O)[O-])ccc3c2Cl)CC1 32579198 CHTNHWGXASRORI-UHFFFAOYSA-N 410.883 3.340 5 40 HGBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)S2)cc1 408785412 XEVIMEQFEVXVPP-CQYSBYMNSA-N 416.415 3.371 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(N2CCCCS2(=O)=O)c1 5099841 NJGSCMZKBWLUFH-UHFFFAOYSA-N 409.851 3.431 5 40 HGBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cc1[N+](=O)[O-] 6276123 GWPPIROIYVNTPL-UHFFFAOYSA-N 410.474 3.460 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(F)c(S(=O)(=O)N2CCCC2)c1 19935699 STZOQBIUWNNZBA-UHFFFAOYSA-N 407.423 3.079 5 40 HGBB COc1ccc([C@@H](C)NC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1OC 57477716 QMCAIQRHLSYJQO-CQSZACIVSA-N 403.438 3.356 5 40 HGBB CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C 2057818 JPPWCEWSUKONKG-LJQANCHMSA-N 411.414 3.187 5 40 HGBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2300254 SXXUEJLMKVMCPO-UHFFFAOYSA-N 415.453 3.247 5 40 HGBB CCC[C@@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O 6662523 KBDAAPOHDXDAGM-IBGZPJMESA-N 412.398 3.016 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 7881653 XCEASQRPWJDVTJ-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12977666 IRINFPNJBXLPOG-INIZCTEOSA-N 404.444 3.200 5 40 HGBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1 14091617 VRCMAKHLBXCPIV-UHFFFAOYSA-N 413.459 3.054 5 40 HGBB O=C(NC(=S)Nc1ccc(Br)cc1C(=O)O)c1cccc([N+](=O)[O-])c1 16399797 REEZSSPLJFSVEI-UHFFFAOYSA-N 424.232 3.182 5 40 HGBB CCOC(=O)c1ccc(S(=O)(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1 32869635 DFMGSQUWALLRQK-UHFFFAOYSA-N 412.851 3.246 5 40 HGBB COc1cc(OC)cc([C@H](NC(=O)Nc2ccc([N+](=O)[O-])cc2)c2nccn2C)c1 40018138 LJMDXICFOPNYQJ-SFHVURJKSA-N 411.418 3.257 5 40 HGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1cccc([N+](=O)[O-])c1C 10119890 NKJMHRCZTJOABM-UHFFFAOYSA-N 410.415 3.330 5 40 HGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10781282 ZLXCKKFDSJAPSS-HNNXBMFYSA-N 413.499 3.496 5 40 HGBB Cc1nn(C(=O)c2ccccc2O)c2c1[C@@H](c1ccc([N+](=O)[O-])cc1)SC(N)=N2 16958345 RVAHGYUSMDBODJ-MRXNPFEDSA-N 409.427 3.276 5 40 HGBB Cc1sc(C(=O)Nc2ccc(NC(=O)[C@@H](C)n3cncn3)cc2)cc1[N+](=O)[O-] 31136161 ZRNKKKJWTKARTL-SNVBAGLBSA-N 400.420 3.008 5 40 HGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 1053914 HHJFOETXLQBGRY-KPKJPENVSA-N 415.471 3.421 5 40 HGBB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1cccc([N+](=O)[O-])c1 4148137 QXFUVDYPSNBFGX-UHFFFAOYSA-N 413.484 3.440 5 40 HGBB O=C(c1ccccc1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9720924 CUHYRRNYNONGGH-UHFFFAOYSA-N 424.335 3.484 5 40 HGBB Cc1ccc(C(=O)NCC(=O)Nc2cc3c(cc2Cl)OCCCO3)cc1[N+](=O)[O-] 12921122 PHRNRIZRNFNIMR-UHFFFAOYSA-N 419.821 3.086 5 40 HGBB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 223581070 NAYSYONIVFXHAH-UHFFFAOYSA-N 416.459 3.421 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(OCc2cn3cccc(C)c3n2)c([N+](=O)[O-])c1 7987027 DWEUNWCNTBZPKT-UHFFFAOYSA-N 418.475 3.160 5 40 HGBB COc1ccc(S(=O)(=O)NCCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 10021331 SKUXMFMEWCPLIJ-UHFFFAOYSA-N 405.259 3.431 5 40 HGBB O=C(c1ccc([N+](=O)[O-])o1)N(CCCN1CCOCC1)c1nc2ccccc2s1 22997254 CWKQZDZLLLTKAB-UHFFFAOYSA-N 416.459 3.167 5 40 HGBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)NC(C)C 408701525 ZFRMUUIYTDEJMD-UHFFFAOYSA-N 421.475 3.241 5 40 HGBB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)o2)cc1OC 408714120 JCJXJGAWWABSTQ-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB Cc1ccc(NC(=O)COc2ccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)cc2)cc1 409348501 NWIZLTBMJFQTRN-WDZFZDKYSA-N 422.397 3.292 5 40 HGBB COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 32100969 LOLATABBDBZXET-KRWDZBQOSA-N 409.320 3.105 5 40 HGBB COc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 705266 JSIFDQCKPFEOAF-KRWDZBQOSA-N 410.473 3.048 5 40 HGBB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 15881988 YBLUHLBFAMBSDK-GOSISDBHSA-N 418.402 3.272 5 40 HGBB Cc1nn(CC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)c(C)c1[N+](=O)[O-] 2640440 OGEDBDJPQCGUFZ-UHFFFAOYSA-N 410.430 3.486 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 4554150 JTDISTKAIXMLIC-QXUMQBBKSA-N 404.378 3.126 5 40 HGBB CCCNC(=O)CN(C)C(=O)c1ccc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1 7058163 LHOSKDLJIDRSCR-UHFFFAOYSA-N 405.451 3.483 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2ccc(NC(=O)c3ccco3)cc2)cc1[N+](=O)[O-] 12818599 PIFMSHBJVGWKRY-UHFFFAOYSA-N 415.427 3.227 5 40 HGBB C[C@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 26442115 MUDJQPAOZSVRNS-IFXJQAMLSA-N 414.414 3.337 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220648273 STQZATWPKMJVIE-SFHVURJKSA-N 421.475 3.095 5 40 HGBB CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071010 XGXPSMISWLXQAY-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB CN(c1ncc(C(F)(F)F)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1388819 FBRBBVRDKPVDRJ-UHFFFAOYSA-N 400.700 3.309 5 40 HGBB COc1ccc([C@@H](CNC(=O)COc2ccccc2[N+](=O)[O-])N2CCCCC2)cc1 12062530 FGDWJXVKAMKECD-HXUWFJFHSA-N 413.474 3.326 5 40 HGBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)O)cc3c3ccnc2c31 20759051 WYUCRCPROVFQMJ-NSHDSACASA-N 418.405 3.461 5 40 HGBB biogenic CCc1ccc(CNC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 40117085 QGGSGMYMPRTKFN-UHFFFAOYSA-N 403.489 3.428 5 40 HGBB COc1ccc(C(=O)Nc2ccccc2-c2nn3c(C)nnc3s2)cc1[N+](=O)[O-] 59294136 LMKMSJOKIJKKKJ-UHFFFAOYSA-N 410.415 3.330 5 40 HGBB COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224790241 PGYRYKGAECRBBC-UHFFFAOYSA-N 422.459 3.059 5 40 HGBB COc1cccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)c1OC 4120658 ZANGJXCSZXGLPO-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB CCS(=O)(=O)N1CCc2cc(C(=O)c3cc4cc([N+](=O)[O-])ccc4o3)ccc21 15544327 WSRPVRGPDAZCJZ-UHFFFAOYSA-N 400.412 3.284 5 40 HGBB COc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 26535526 BVHSWMRFSBLTNN-OKILXGFUSA-N 413.430 3.105 5 40 HGBB C[C@@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57619592 QJJMRQZQDPEDKN-KRWDZBQOSA-N 419.485 3.317 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCN(CCN(C)C)Cc1ccccc1F 79023187 XTFOLUHVRONBTO-UHFFFAOYSA-N 402.470 3.435 5 40 HGBB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)n1N 9545928 LDGLSXJSQMKLQY-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB CCOc1cc2c(cc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)O[C@H](C)C2 12985327 USDDFPSNNAYINA-LLVKDONJSA-N 400.387 3.356 5 40 HGBB COc1cc(CCNC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)c([N+](=O)[O-])cc1OC 32820298 AYTUTHYUHHNQMI-OLZOCXBDSA-N 400.431 3.469 5 40 HGBB Cc1ccc([C@H](CC(=O)OC(C)C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 72313838 UVJWEMYYSNCBJB-INIZCTEOSA-N 410.430 3.406 5 40 HGBB COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2501336 RBSVHUTZHFOUJE-KRWDZBQOSA-N 410.473 3.048 5 40 HGBB COc1ccc(C(=O)OCC(=O)Nc2cccc(Br)c2)cc1[N+](=O)[O-] 3442404 JTHWTVNCXXVBHM-UHFFFAOYSA-N 409.192 3.161 5 40 HGBB O=C(CN1C(=O)COc2ccc([N+](=O)[O-])cc21)Nc1ccc2c3c(cccc13)CC2 24871721 WUDOJYVJIXQTQL-UHFFFAOYSA-N 403.394 3.211 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1N1CC(Oc2ccccc2)C1 58310728 YXKFALQLIJINOQ-UHFFFAOYSA-N 402.350 3.156 5 40 HGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1F)S(C)(=O)=O 220311717 POPTYJGFRWLEFE-SNVBAGLBSA-N 415.830 3.181 5 40 HGBB COc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 3259007 RSZROQCYOMOEDF-UHFFFAOYSA-N 413.213 3.383 5 40 HGBB COC(=O)c1cc(C(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc([N+](=O)[O-])c1 4696266 HPXGIJUQEVPLII-UHFFFAOYSA-N 403.416 3.245 5 40 HGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1[N+](=O)[O-] 17093711 VAROFAKDDHINEI-UHFFFAOYSA-N 423.834 3.472 5 40 HGBB COc1cccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)c1 32101334 BQKSXROVXYMJTH-QGZVFWFLSA-N 409.320 3.105 5 40 HGBB CCOc1cc2c(cc1CNC(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)O[C@@H](C)C2 32741041 DWDYIXRJHCRLBO-AWEZNQCLSA-N 422.441 3.433 5 40 HGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1N=C(c2ccc(F)cc2)C[C@]1(O)C(F)(F)F 1092540 NUVMVVMBJJPJIU-KRWDZBQOSA-N 411.311 3.164 5 40 HGBB NC(=O)COc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1 7581180 IQHNXZVIFFJJLS-UHFFFAOYSA-N 403.390 3.167 5 40 HGBB O=[N+]([O-])c1ccc2c(c1)Oc1cc([N+](=O)[O-])ccc1OCCOCCOCCO2 8721934 JHPYADSFNUAATB-UHFFFAOYSA-N 406.347 3.100 5 40 HGBB COCCNc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] 18048778 JGWYLOPMMMOKQN-HNNXBMFYSA-N 409.446 3.330 5 40 HGBB O=C1C[C@H](C(F)(F)F)N(C(=O)COc2cccc([N+](=O)[O-])c2)c2ccccc2N1 21315143 IHSBJLFRNAQMTB-OAHLLOKOSA-N 409.320 3.280 5 40 HGBB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 27021250 ZQJNWJYEPDWOEA-AWEZNQCLSA-N 407.426 3.018 5 40 HGBB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)c1 32935904 JWCOHVVDJCVFFK-INIZCTEOSA-N 410.423 3.277 5 40 HGBB Cc1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)o1 1364601 WHFPGGBNKSFGIM-CYBMUJFWSA-N 418.431 3.115 5 40 HGBB C[C@@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2620869 MIBBFDQCZUOBPA-SNVBAGLBSA-N 404.839 3.343 5 40 HGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 59720640 KSAVOXAXCFKZFH-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778916 ZDZZVCIMOLEDHK-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB CN(C)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17089586 FHRQIGMZWOKSHD-UHFFFAOYSA-N 413.503 3.388 5 40 HGBB COc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)c([N+](=O)[O-])c1 5177468 USCMZGGCYKPYSE-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB O=C(NCc1ccc[n+](Cc2ccc([N+](=O)[O-])cc2)c1)c1ccc(OC(F)F)cc1 3185055 ZDZXTUNLINDSIX-UHFFFAOYSA-O 414.388 3.462 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(Br)cc1 5899041 QYHWZSRSMPPRIG-UHFFFAOYSA-N 410.249 3.249 5 40 HGBB COc1cccc(C2=NC(=O)[C@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)c1 6510436 NAPLPFMAMQEVEA-INIZCTEOSA-N 415.427 3.029 5 40 HGBB Cc1ccccc1-c1nc(-c2ccc(NC(=O)Cn3cc([N+](=O)[O-])cn3)cc2)no1 6810061 HELRSCFQVPHKGE-UHFFFAOYSA-N 404.386 3.455 5 40 HGBB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 138707208 KUHVALYJAVNXJY-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Br)o1 3228670 VMTQYUXQZHPXJO-MRVPVSSYSA-N 413.180 3.143 5 40 HGBB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)nn1 5204290 MILZSXMHPPJQQC-UHFFFAOYSA-N 400.416 3.251 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H]1CCCc2ccccc21 5893838 FXRWZHVJAPSSCB-SFHVURJKSA-N 417.487 3.105 5 40 HGBB O=C(Oc1ccc(I)cc1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8927083 ONXSSGLPRZUQQJ-UHFFFAOYSA-N 414.111 3.327 5 40 HGBB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 14404404 YYKSOPWXXXCXAY-UHFFFAOYSA-N 424.373 3.348 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c(C)nn(Cc2ccccc2)c1C 15358861 JAJTYWLZACPYIW-UHFFFAOYSA-N 414.487 3.243 5 40 HGBB Cc1sc(C(=O)N2CCC(NC(=O)CCc3ccccc3)CC2)cc1[N+](=O)[O-] 32924972 XZWSAKIAOUNRSS-UHFFFAOYSA-N 401.488 3.318 5 40 HGBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223592227 SXMUFNMQYGUXPA-OALUTQOASA-N 410.455 3.215 5 40 HGBB CC[C@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504472 ILTQQVXZOARZIB-FZKQIMNGSA-N 423.466 3.156 5 40 HGBB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 408629294 VTCGEWNMFNPBBR-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB COc1cc2c(cc1OC)-c1c(OC)c(OC)c([N+](=O)[O-])c3c1[C@H](C2)N(C)CC3 20518182 GHNKQXUBBRYYOC-AWEZNQCLSA-N 400.431 3.381 5 40 HGBB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409189031 HKDCYZYPYKWSJZ-OVCLIPMQSA-N 417.805 3.358 5 40 HGBB COC[C@@H](C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 9469069 IHTBDAWEHKNDMP-CYBMUJFWSA-N 405.476 3.140 5 40 HGBB Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 220036241 YGVPHSUKOXZIAW-INIZCTEOSA-N 419.503 3.163 5 40 HGBB CCOC(=O)C1=C(C)Nc2nc(SC)nc(O)c2[C@H]1c1cccc([N+](=O)[O-])c1 4136402 LXTKTBPRORZVMS-ZDUSSCGKSA-N 402.432 3.207 5 40 HGBB COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 6582591 MQNSFNJKQNKOPT-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1C[C@@H]2C[C@H](C1)Cn1c2cccc1=O 8738762 RICCMSIVCISBAT-ZBFHGGJFSA-N 405.410 3.276 5 40 HGBB biogenic CC1CCN(C(=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1 12464042 OXOAPYYCILWFSN-SFHVURJKSA-N 417.849 3.092 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715738 MMWUCUDVXZQYGQ-MRXNPFEDSA-N 409.439 3.226 5 40 HGBB Cc1noc2ncc(C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cc12 24938520 AZXTUWHLRUNQOI-UHFFFAOYSA-N 401.810 3.055 5 40 HGBB O=C(O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224763547 PGHJTDCOQGJRAI-UHFFFAOYSA-N 420.443 3.196 5 40 HGBB Cc1cc(N)n(-c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)CCCC5)n1 1465707 PSXAGWVOXJGVRR-UHFFFAOYSA-N 402.483 3.413 5 40 HGBB CCCCCn1c(=O)c2ccccc2n2c(COc3ccc(C)nc3[N+](=O)[O-])nnc12 9130972 AOEMKXZRPSZBKM-UHFFFAOYSA-N 422.445 3.425 5 40 HGBB Cc1c(N(CC(=O)Nc2ccc(F)c(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220028718 CEVVJQJDPGWBCS-UHFFFAOYSA-N 415.830 3.100 5 40 HGBB CCOC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224775494 WRGITAZSECJIIW-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)N1CCc2ccccc2C1 409360215 ZDQWOOSFOPLHKZ-WOJGMQOQSA-N 423.450 3.216 5 40 HGBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)c1 6526556 GKGYTSBTIZJPIW-OALUTQOASA-N 406.394 3.407 5 40 HGBB COc1ccc(Cl)cc1N1C(=O)C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C1=O 9316369 SNNJVSDRIIOXKI-LJQANCHMSA-N 415.789 3.084 5 40 HGBB CC[C@@H](C(=O)Nc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222532903 XQKZGQGEMDITHH-KRWDZBQOSA-N 421.475 3.095 5 40 HGBB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1[N+](=O)[O-] 20739392 GLZYBAPMUPOAIU-CQSZACIVSA-N 412.793 3.029 5 40 HGBB COC(=O)c1cc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC 18061389 OSOUVDYANJZPFF-LBPRGKRZSA-N 404.444 3.187 5 40 HGBB Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)Nc1cc([N+](=O)[O-])ccc1F 6333099 YBYBZQOBSDDTAJ-UHFFFAOYSA-N 412.468 3.102 5 40 HGBB CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)ccc1N1CCOCC1 4711526 SOPPGCXWTPQRGM-UHFFFAOYSA-N 413.430 3.169 5 40 HGBB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 15334088 RUTAOQQOMQZMJF-INIZCTEOSA-N 422.459 3.146 5 40 HGBB Cc1nc(CN2CCCN([C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)oc1C 609274569 IPTLVKSVEBXCSW-MRXNPFEDSA-N 415.494 3.043 5 40 HGBB O=C1c2cccc3c(Oc4ccccc4[N+](=O)[O-])ccc(c23)C(=O)N1n1cnnc1 819766 SDBGNXMBDPNANL-UHFFFAOYSA-N 401.338 3.064 5 40 HGBB C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)N1CCc2ccccc21 24275435 ZMVOSWGNJDUDID-MRXNPFEDSA-N 423.469 3.332 5 40 HGBB CC(C)CC[C@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13005499 QDZNFGAETVXLHP-YJBOKZPZSA-N 411.524 3.079 5 40 HGBB COc1ccc(CCNc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1 5885983 OSZAJYODVQGSCR-UHFFFAOYSA-N 405.476 3.043 5 40 HGBB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccccc3[N+](=O)[O-])co2)n1 4377275 YDLDBDGPHKUYHH-UHFFFAOYSA-N 413.411 3.466 5 40 HGBB CC(C)Oc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 2316147 KOKULQMNUBAGHB-BOPFTXTBSA-N 408.439 3.061 5 40 HGBB Cc1ccc(N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1Cl 4575088 JPGMKFUFHRDNBY-UHFFFAOYSA-N 409.895 3.376 5 40 HGBB CCNc1ccc(C(=O)OCc2cc(=O)n3cc(Cl)ccc3n2)cc1[N+](=O)[O-] 32169125 VJQOFSNWQGIONW-UHFFFAOYSA-N 402.794 3.045 5 40 HGBB COc1ccc(-c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)o2)c([N+](=O)[O-])c1 71782771 ZAKCKNARMOJIHI-UHFFFAOYSA-N 421.365 3.342 5 40 HGBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103577591 XBZVSHPSYCLFJU-FPOVZHCZSA-N 412.405 3.377 5 40 HGBB CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)N=C(O)N=C2O 105801708 WXTBTYWPGPEHNG-AGKSTNPPSA-N 412.446 3.322 5 40 HGBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C 8902593 YVPWMEBFGGSJIS-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB C[C@H](NC(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O)c1ccccc1 9763416 IOUGIFUUGWXXSF-MGPUTAFESA-N 405.410 3.058 5 40 HGBB COc1cc(OC)cc([C@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2nccn2C)c1 12507646 JPLNCLBWJRMXDW-SFHVURJKSA-N 411.418 3.257 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Nc1cc(NC(C)=O)ccc1OC 13137710 JHLZPWHSWCQTCC-NSHDSACASA-N 402.407 3.010 5 40 HGBB CCCC(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 17089127 HMZMVWNHMIUQKB-UHFFFAOYSA-N 412.446 3.422 5 40 HGBB NC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 226334731 QZQQXFYQYXTYLX-XBXARRHUSA-N 424.194 3.277 5 40 HGBB COc1ccc(OCCCn2c(=O)c(N3CCCC3)nc3ccc([N+](=O)[O-])cc32)cc1 32810147 GHTUCCRBJVXYFR-UHFFFAOYSA-N 424.457 3.383 5 40 HGBB COC(=O)c1ccc(CNC(=O)CSc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3256212 MJGRHFYRLLPQIQ-UHFFFAOYSA-N 417.468 3.400 5 40 HGBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1Br 6315848 LQFPXCKZGCQKMB-UHFFFAOYSA-N 401.238 3.475 5 40 HGBB Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccc([N+](=O)[O-])cc3)nn12 9356181 IJFHOBAHHQRBKC-UHFFFAOYSA-N 410.415 3.087 5 40 HGBB COc1ccc(NC(=O)COC(=O)c2ccc(-n3nc(C)cc3C)cc2)c([N+](=O)[O-])c1 9539539 CPRFWZOBGKAOIB-UHFFFAOYSA-N 424.413 3.201 5 40 HGBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccncc1 12595396 ISPYBEFVBIDCDL-HNNXBMFYSA-N 408.867 3.133 5 40 HGBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 3498280 DOKVPIOYUXTHGE-JTQLQIEISA-N 408.794 3.449 5 40 HGBB Cc1ccnc(SCc2cc(=O)c(OC(=O)Cc3ccc([N+](=O)[O-])cc3)co2)n1 4377351 PLWITADREOSVJR-UHFFFAOYSA-N 413.411 3.087 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 4554152 JTDISTKAIXMLIC-ATNYCFDYSA-N 404.378 3.126 5 40 HGBB CCOc1cc(OCC)cc(C(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 8902398 PGAJAWXODFZVBK-UHFFFAOYSA-N 415.446 3.481 5 40 HGBB Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2ccc([N+](=O)[O-])cc2)c(=O)o1 16756408 USWHLEAYOYEPFZ-UHFFFAOYSA-N 413.382 3.098 5 40 HGBB O=C1OC2(c3ccccc31)c1ccc(O)c([N+](=O)[O-])c1Oc1c2ccc(O)c1[N+](=O)[O-] 28630881 RYCIBGACBRAXBM-UHFFFAOYSA-N 422.305 3.482 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220541373 QFDDTOICOAQZEC-QGZVFWFLSA-N 405.476 3.395 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1c(Cl)cccc1Cl)c1cccc([N+](=O)[O-])c1 408583102 YWCZNIFJKNGSKM-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])o2)ccc1N1C(=O)c2ccccc2C1=O 8111591 DHUOPCVIFFJSIF-UHFFFAOYSA-N 407.338 3.249 5 40 HGBB C[C@H](C(=O)Nc1cccc2ncccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12537250 PMSNJCNOPYZIRD-MRXNPFEDSA-N 405.458 3.292 5 40 HGBB CN(Cc1nnc2n1CCCCC2)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 12773557 INPRFMGULZRFHS-UHFFFAOYSA-N 415.497 3.131 5 40 HGBB C[C@@H](OC(=O)c1cccc(OC[C@H]2CCCO2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 26442111 MUDJQPAOZSVRNS-AUUYWEPGSA-N 414.414 3.337 5 40 HGBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@H]1c1nnc2ccccn12 29074219 AAZGUBQLWXXRRE-KRWDZBQOSA-N 406.446 3.215 5 40 HGBB O=[N+]([O-])c1ccc(NCCCOCc2ccccc2)c(S(=O)(=O)N2CCCC2)c1 40004991 WPRUTTCLYHDHRN-UHFFFAOYSA-N 419.503 3.398 5 40 HGBB Nc1cccc(CNC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)c1 215671426 GQRZVDFVVHIFNX-STZFKDTASA-N 416.437 3.264 5 40 HGBB CC[C@@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504095 CTNHXFIOXZMAMI-BEFAXECRSA-N 419.503 3.325 5 40 HGBB CCc1cc2c(SCC(=O)NC(=O)c3cccc([N+](=O)[O-])c3)ncnc2s1 2619693 JJIGPAHYUUJSDG-UHFFFAOYSA-N 402.457 3.211 5 40 HGBB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 17091451 COTNCYWQSBMOPO-SECBINFHSA-N 418.500 3.007 5 40 HGBB O=C(CN1c2ccccc2-c2ccccc2S1(=O)=O)Nc1cccc([N+](=O)[O-])c1 20063160 IIESKDIUAHVFOX-UHFFFAOYSA-N 409.423 3.409 5 40 HGBB CCOC(=O)c1cc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cc([N+](=O)[O-])c1 21975489 JOXQVHKIWOEVGN-UHFFFAOYSA-N 406.778 3.448 5 40 HGBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2ccccc2F)cc1 32640702 WCIGIXNUKOQFOL-RDJZCZTQSA-N 421.475 3.009 5 40 HGBB CC[C@H](C(=O)N[C@H](C)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504103 CTNHXFIOXZMAMI-DNVCBOLYSA-N 419.503 3.325 5 40 HGBB O=C1CS[C@@]2(C(=O)Nc3ccc(Br)cc32)N1c1cccc([N+](=O)[O-])c1 4112036 BIVLZEPJLXFORA-INIZCTEOSA-N 420.244 3.242 5 40 HGBB O=C(Nc1ccccc1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 15348621 OQZPSAFLEXRPMJ-UHFFFAOYSA-N 423.878 3.288 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCSC(F)(F)F 32935550 IICBPYQHOGIFLM-UHFFFAOYSA-N 413.443 3.434 5 40 HGBB COc1ccc(S(=O)(=O)N(C)c2cccc([N+](=O)[O-])c2C)cc1Br 224885337 SSNOLVGHHGYPNI-UHFFFAOYSA-N 415.265 3.499 5 40 HGBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1cccc(Oc2nc(Cl)ncc2F)c1 409327698 WIXRPJFXIXAEME-PLNGDYQASA-N 405.729 3.341 5 40 HGBB COc1cc(C(=O)OCC(=O)c2cc(C)n(C3CC3)c2C)c([N+](=O)[O-])cc1OC 3498503 ZIVNTYCSWSKJAZ-UHFFFAOYSA-N 402.403 3.405 5 40 HGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 5071743 JXWVFXYLZUSJOP-HNNXBMFYSA-N 408.863 3.078 5 40 HGBB Cc1nc2ccccc2n1CC(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1Cl 5659369 JOAFUWRLHAVLLG-UHFFFAOYSA-N 402.794 3.088 5 40 HGBB Cc1ccc(-c2csc(NC(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)n2)s1 11514869 UFBOSGIPMLOXMO-UHFFFAOYSA-N 402.457 3.457 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc([N+](=O)[O-])cc1Cl 15638334 HJRXWXDWXLYZSW-CYBMUJFWSA-N 403.822 3.409 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccc(S(=O)(=O)N2CCCC2)c1 19163017 DNAMGRBXAUAZET-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB CCN(CC)C[C@H](C)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 57993268 FUXUPVXROXHCSN-INIZCTEOSA-N 412.556 3.302 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O 409266956 SOVDTTYYCMIRIX-UHFFFAOYSA-N 405.476 3.431 5 40 HGBB COc1ccccc1NN1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 3044973 PCZIJJWOVGJXAE-UHFFFAOYSA-N 408.326 3.288 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 4691228 YQYSXPBZLGWNBO-OQLLNIDSSA-N 401.375 3.409 5 40 HGBB CN(Cc1cnn(-c2ccccc2)c1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 15359655 KICMEDJYZGQEKZ-UHFFFAOYSA-N 406.851 3.255 5 40 HGBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccccc1 103577579 XBZVSHPSYCLFJU-TZIWHRDSSA-N 412.405 3.377 5 40 HGBB Cc1c(NC(=O)CCCN(c2ccccc2F)S(C)(=O)=O)cccc1[N+](=O)[O-] 222656085 CBWVDEXKINJVJU-UHFFFAOYSA-N 409.439 3.227 5 40 HGBB Cc1c(NC(=O)[C@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] 408554524 SVUBWZWBNLFBMW-AWEZNQCLSA-N 413.455 3.362 5 40 HGBB O=C1C[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2)n2nc(-c3ccc(Cl)cc3)nc2N1 14607335 HTZJRFCWLNQYEC-CQSZACIVSA-N 412.793 3.029 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3ccc(F)cc3)cc2Cl)cc1 2804438 AJOZOLLMXROSKD-UHFFFAOYSA-N 410.814 3.433 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182101 NJMUODHVHQKFME-UHFFFAOYSA-N 404.398 3.445 5 40 HGBB NC(=O)c1c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc2c1CCC2 16385704 ZXTFHTVGBBSQTF-UHFFFAOYSA-N 424.891 3.024 5 40 HGBB COc1cccc(OC)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 6954643 UVXVXIHKRGVJBK-UHFFFAOYSA-N 405.838 3.228 5 40 HGBB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 2663993 WAXUOHYRCLTPND-UHFFFAOYSA-N 412.377 3.332 5 40 HGBB COC(=O)c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cc(Cl)ccc2Cl)c1 2093329 FBJUYZPYYNXGOB-UHFFFAOYSA-N 406.199 3.456 5 40 HGBB CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(OCC)c(O)c([N+](=O)[O-])c2)C1=O 409209926 HBDWLQPOEXSRBG-ZROIWOOFSA-N 424.431 3.079 5 40 HGBB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2C)cc1[N+](=O)[O-] 33738192 VKIQWGGGCPFOJK-UHFFFAOYSA-N 413.459 3.342 5 40 HGBB O=[N+]([O-])c1ccc(COc2ccccc2/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1 409315659 WIAPMJQULIYOPL-JXMROGBWSA-N 410.342 3.454 5 40 HGBB CCOC(=O)c1cc(C(=O)N=c2c3c([nH]c4ccccc24)CCOC3)cc([N+](=O)[O-])c1 1538380730 WSBUKYFFZTXOFY-UHFFFAOYSA-N 421.409 3.067 5 40 HGBB CN(C)[C@@H](CNC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 5688027 FXIFBVGSCYGBRD-KRWDZBQOSA-N 410.396 3.445 5 40 HGBB Cn1cc([C@@H]2CCCCCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cn1 13566802 AGSSSQYFFLXNTO-FQEVSTJZSA-N 408.462 3.331 5 40 HGBB Cc1ccc(NC(=O)COC(=O)Cc2ccc(Br)cc2)cc1[N+](=O)[O-] 2618161 YMDRKYWWAFGYRC-UHFFFAOYSA-N 407.220 3.390 5 40 HGBB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 3521381 RTYVFVNHLRFQNZ-SNVBAGLBSA-N 405.794 3.391 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)[C@H]2C(C)C)cc1[N+](=O)[O-] 4681134 HBQHOPAFPCWZLX-LJQANCHMSA-N 417.487 3.032 5 40 HGBB COc1ccc(OC)c(Nc2nc(N3C[C@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 5031989 UNXYKSBMTXRBLT-VXGBXAGGSA-N 402.455 3.210 5 40 HGBB O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 9613343 UYXZNKYCWQQOMK-MRXNPFEDSA-N 416.411 3.008 5 40 HGBB O=C(NCCNC(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc(C(F)(F)F)cc1 27179734 JRIMMISIUVNRHV-UHFFFAOYSA-N 415.755 3.427 5 40 HGBB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)CSc1ccc([N+](=O)[O-])cc1 32754212 PBJIADIZUHOUJH-CYBMUJFWSA-N 408.501 3.310 5 40 HGBB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 40090261 ZBRQUKQBZZWAQY-UHFFFAOYSA-N 400.778 3.457 5 40 HGBB CCn1nc(C)c(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c1C 408975531 MOOMLUSYDVZMIS-UHFFFAOYSA-N 409.358 3.290 5 40 HGBB C[C@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 10967708 DYOYSIHDJFXKKF-AWEZNQCLSA-N 417.487 3.090 5 40 HGBB Cc1ncc([N+](=O)[O-])cc1C(=O)N1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 40122395 NRXLJBVPIYCFHB-UHFFFAOYSA-N 423.256 3.203 5 40 HGBB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(Br)c([N+](=O)[O-])c1 226368117 SQAMCMCLYCYBJZ-UHFFFAOYSA-N 402.204 3.408 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 4195735 GJCVLNBCDWBENC-FTUNRGFVSA-N 406.394 3.350 5 40 HGBB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 5373493 OZIYCTIYPITVPZ-UHFFFAOYSA-N 415.427 3.261 5 40 HGBB C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 8851723 QGDJCUFMAXDBAT-HNNXBMFYSA-N 405.520 3.327 5 40 HGBB C[C@@H](NC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O)c1ccccc1 9763419 IOUGIFUUGWXXSF-QRWLVFNGSA-N 405.410 3.058 5 40 HGBB COc1ccc(Nc2nc(Nc3ccc4[nH]c(=O)[nH]c4c3)nc(C)c2[N+](=O)[O-])cc1 19143328 AUPQVERFQPHURK-UHFFFAOYSA-N 407.390 3.359 5 40 HGBB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc([N+](=O)[O-])c1 31813508 CVMRURWLSYGBGR-CQSZACIVSA-N 412.793 3.029 5 40 HGBB Cc1ccc(CNC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222373704 LUFVVEBETCHJKN-UHFFFAOYSA-N 419.503 3.074 5 40 HGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc([N+](=O)[O-])cc1 4903293 WIRWPKLCPXAXIY-UHFFFAOYSA-N 415.446 3.481 5 40 HGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCc1ccc(Cn2cncn2)cc1 12758204 YDMABRRZCKSOKI-UHFFFAOYSA-N 423.476 3.111 5 40 HGBB Cc1c(NC(=O)[C@@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 218470939 RYWZISPENWGBRE-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB COc1cc(OCC(=O)Nc2ccc(OC3CCN(C)CC3)cc2)ccc1[N+](=O)[O-] 219830374 GTOFMZYUDPIEDI-UHFFFAOYSA-N 415.446 3.094 5 40 HGBB COC(=O)C[C@@H](NC(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12)c1ccc(Cl)cc1 40079798 GBLAMWBYULBBRU-OAHLLOKOSA-N 402.794 3.159 5 40 HGBB COc1cccc(OC)c1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17091405 PXYPFKOLBKBMMT-UHFFFAOYSA-N 418.456 3.349 5 40 HGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1Cc1ccccc1 1049527 LBHUPSSHOCUKJM-ZKKFKWFVSA-N 410.429 3.467 5 40 HGBB CCc1ccc(C(=O)COC(=O)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1 409180515 YXDRTLMHNMVAEW-UHFFFAOYSA-N 414.414 3.311 5 40 HGBB CC[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 408640116 AJTSIRLELNSILD-LPHOPBHVSA-N 410.426 3.461 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(C)n1C[C@H]1CCCO1 887430 AIZVJGAHMFGIRU-SWLSCSKDSA-N 405.480 3.101 5 40 HGBB Nc1nc(Nc2cccc(F)c2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 9350194 MDJPADITQUYXGC-UHFFFAOYSA-N 423.452 3.172 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(/C=C/C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 33765958 WZXCEINWQDVTEH-JLHYYAGUSA-N 403.460 3.277 5 40 HGBB O=C(Nc1cc2c(cc1Br)OCCO2)c1n[nH]c2ccc([N+](=O)[O-])cc12 40079837 DURYXEYYTMLZKY-UHFFFAOYSA-N 419.191 3.257 5 40 HGBB COc1cc(NC(=O)CSc2nnc(Cc3ccccc3)o2)ccc1[N+](=O)[O-] 408553788 QNABAOHQOQQELE-UHFFFAOYSA-N 400.416 3.308 5 40 HGBB CNS(=O)(=O)c1cccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 3355598 NVPUEERFCQTNIK-UHFFFAOYSA-N 423.446 3.211 5 40 HGBB O=C(Oc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1)c1ccc([N+](=O)[O-])cc1 4593049 PRLPYKHNRWKELD-SLDRDFCHSA-N 404.378 3.126 5 40 HGBB CC1CCN(C(=O)CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)CC1 5167749 KBHJFYIRUCWUEL-UHFFFAOYSA-N 412.475 3.050 5 40 HGBB COc1ccc(Cc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3)s2)cc1OC 5563113 VWOLIHKSYMOLOF-UHFFFAOYSA-N 400.416 3.307 5 40 HGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 5893342 FJYPYPAEHFGGHR-IZZDOVSWSA-N 401.444 3.031 5 40 HGBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)NC3CCCCC3)cc2[N+](=O)[O-])C1 6551267 RIJRQIYBWLEBRG-OAHLLOKOSA-N 403.479 3.437 5 40 HGBB Cc1cc(C)cc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)c1 9698557 VKZULFOWLQYSTE-UHFFFAOYSA-N 417.487 3.251 5 40 HGBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)ccc1[N+](=O)[O-] 30864675 GEMAURYNUAGUBI-UHFFFAOYSA-N 412.427 3.351 5 40 HGBB COc1ccc2c(c1)[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O2 219827839 AUSMXRRUVBEDOR-INIZCTEOSA-N 416.430 3.409 5 40 HGBB O=C(O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036413 UGIIKCCYLYNMJK-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c1C 1745208 RFHMHTFTQIEESF-UHFFFAOYSA-N 416.415 3.253 5 40 HGBB CCOC(=O)Oc1ccc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc1OC 2445173 WGXMRWSLZZJBAF-DHDCSXOGSA-N 412.354 3.483 5 40 HGBB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1cc(Cl)ccc1[N+](=O)[O-] 7601894 OTVJHNOQKBBEKC-QHHAFSJGSA-N 404.762 3.172 5 40 HGBB O=C(O)c1cc(Br)ccc1NC(=S)NC(=O)c1ccccc1[N+](=O)[O-] 16449295 GYXWBVKDUBHWDT-UHFFFAOYSA-N 424.232 3.182 5 40 HGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 20481536 APMFSYAYVXTLMW-IZZDOVSWSA-N 424.438 3.443 5 40 HGBB COCC(=O)Nc1cccc(CNC(=O)c2cc(Cl)c(Cl)c([N+](=O)[O-])c2)c1 32809532 RVZQAGIGWJLSMW-UHFFFAOYSA-N 412.229 3.417 5 40 HGBB O=C1[C@H]2[C@@H](c3cccnc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102728725 SIPUPZSEKHAJRB-XUVXKRRUSA-N 416.393 3.041 5 40 HGBB CC[C@@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 102918330 KIPHTHYSVQAMJV-RBGHOZGUSA-N 417.573 3.270 5 40 HGBB Cc1ccc(Cn2ccs/c2=N\C(=O)COC(=O)c2ccc([N+](=O)[O-])s2)cc1 103078885 LCGUNPHNDNUVGB-HNENSFHCSA-N 417.468 3.160 5 40 HGBB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222512725 JOFZSVQUSGKOLX-KSSFIOAISA-N 405.476 3.017 5 40 HGBB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224767848 KDEVTDZCQQQGNB-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1898336 REMYJTVERZBCDJ-UGKGYDQZSA-N 418.453 3.171 5 40 HGBB biogenic CCOC(=O)C1=C(C)Nc2[nH]c(SCC)nc(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 5095516 SPXMMCNUQLLQIV-CQSZACIVSA-N 416.459 3.185 5 40 HGBB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 6245485 UXKAAODXVNPOKY-UHFFFAOYSA-N 412.446 3.278 5 40 HGBB CCc1nnc(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])n1-c1ccccc1 9264991 WFVLTBHFDNDPLL-UHFFFAOYSA-N 413.459 3.477 5 40 HGBB CC1CCN(Cc2ccc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 13013263 DSUXAMAFHUUBLS-UHFFFAOYSA-N 403.504 3.305 5 40 HGBB CN(C(=O)CCNC(=O)Cc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 40121237 JWCYKKITMFGBNM-UHFFFAOYSA-N 409.364 3.325 5 40 HGBB Cc1cccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 220138332 SMPBKHBLESSIAP-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224750680 DSXCJLKYJCTDAK-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 15996489 ZNOADRSMXVDYKA-PLACYPQZSA-N 417.421 3.008 5 40 HGBB CCSc1n[nH]c(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n1 40398909 FOELPPFWEDAZFQ-UHFFFAOYSA-N 422.514 3.436 5 40 HGBB CCC(CC)C(=O)OC[C@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104158395 QMSAITMOQPMPNH-FWLXEDKYSA-N 416.538 3.050 5 40 HGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCc1ccccc1 4173506 IQCOYHDUIDQJPA-VQHVLOKHSA-N 409.398 3.184 5 40 HGBB CCOc1cc([C@H]2N[C@@H](C(=O)O)CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8920067 YQIOPCAXGAXWEX-PBHICJAKSA-N 418.427 3.001 5 40 HGBB COc1ccc(NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222372736 RYJMBBZLRKSLTL-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=C(Nc1cccc(Cl)c1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12916938 ZHTHEXUABNAHPI-QGZVFWFLSA-N 423.878 3.430 5 40 HGBB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)sc2c1 17090268 BPYCZQPUWSEYCH-UHFFFAOYSA-N 415.456 3.290 5 40 HGBB NC(=O)c1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCCC2 4122622 MWWDGJXHGLCWQI-UHFFFAOYSA-N 414.487 3.487 5 40 HGBB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccccc1[N+](=O)[O-] 5259344 VTLJRGUBUQCPOO-UHFFFAOYSA-N 405.414 3.141 5 40 HGBB COc1ccc(C(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1F 24845115 OGHKXLABXMVTTF-UHFFFAOYSA-N 416.405 3.385 5 40 HGBB Cc1[nH]nc(C(=O)N[C@@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1[N+](=O)[O-] 96011861 IJDBGDRZVDQXTP-KRWDZBQOSA-N 407.421 3.250 5 40 HGBB COC(=O)C(=Cc1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)C(=O)OC 409084508 XJJDYZROFBJGLV-UHFFFAOYSA-N 402.315 3.025 5 40 HGBB O=C(Nc1ccc(I)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3151013 QKQUQUDAUMZFGC-UHFFFAOYSA-N 413.127 3.360 5 40 HGBB CCc1c(C(=O)NCc2ccnc(N3CCCC3)c2)cnn1-c1ccc([N+](=O)[O-])cc1 58102724 FFUZCQGTCXJMGM-UHFFFAOYSA-N 420.473 3.268 5 40 HGBB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2N)c([N+](=O)[O-])c1 16043830 DDTVYCRCQRBEHV-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[C@H]2C(=O)N1CCCCC1 95457941 CEDNSMMMLQCZRR-KRWDZBQOSA-N 414.506 3.038 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCc1ccc(S(=O)(=O)NCC(C)C)cc1 409239194 GWNRZMUEPHXQQR-UHFFFAOYSA-N 419.503 3.409 5 40 HGBB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409222829 XTEUALHQHCGOOR-NTUHNPAUSA-N 403.778 3.450 5 40 HGBB C[C@H](NC(=O)CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 32796830 RRFIUEURDKLMRH-ZDUSSCGKSA-N 402.428 3.133 5 40 HGBB CC[C@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222529144 CTNHXFIOXZMAMI-HNAYVOBHSA-N 419.503 3.325 5 40 HGBB CNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225214660 GAYJLBGVPQQRPJ-MRXNPFEDSA-N 415.515 3.300 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187220 PHDSSRNIJJQJRN-LBPRGKRZSA-N 415.880 3.102 5 40 HGBB O=C(Nc1nc2ccc(F)cc2s1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4896272 OCUWJPYFFWTSGK-UHFFFAOYSA-N 402.407 3.433 5 40 HGBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Nc3cccc(CO)c3)c([N+](=O)[O-])c2)C1 7981456 IGPYPLSLOMXWFY-HUUCEWRRSA-N 419.503 3.497 5 40 HGBB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220421317 XTVMSGXNYREHPP-JKSUJKDBSA-N 419.503 3.244 5 40 HGBB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)n1 223596660 BGJNLVGKVMIQKT-UHFFFAOYSA-N 402.432 3.082 5 40 HGBB COC(=O)[C@@H](Cc1cccc([N+](=O)[O-])c1)Sc1nc2c3ccccc3ncn2n1 14134882 OSGNAEJMCXLDLJ-MRXNPFEDSA-N 409.427 3.062 5 40 HGBB COc1cc(OCC(=O)NCc2ccc(CN3CCCCC3)cc2)ccc1[N+](=O)[O-] 224526561 OZRNCKHPXFDZON-UHFFFAOYSA-N 413.474 3.285 5 40 HGBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 5947944 LCVQIGKRXCZMTG-JASJWYONSA-N 415.427 3.373 5 40 HGBB O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(c2cccc(Cl)c2)CC1 1074401 GNRCRYRWOVTYNE-UHFFFAOYSA-N 413.817 3.317 5 40 HGBB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C[C@H]([C@H]3C2=O)[C@H]2N=NN(c3ccccc3[N+](=O)[O-])[C@H]42)cc1 4580498 FUDXRGXMLQXLPF-SHWJXYDWSA-N 417.425 3.283 5 40 HGBB COc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc([N+](=O)[O-])c4)C3=O)co2)cc1 40092770 OPBALNLRUNRYAZ-NRFANRHFSA-N 422.397 3.226 5 40 HGBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(C(C)C)c2=N)cc1 101158869 GFWAFKLFSLKSLQ-UHFFFAOYSA-N 415.497 3.256 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)NCc2c(C)nn(-c3ccccc3)c2C)c1C 12917825 UZFLSBHSTTZOCQ-UHFFFAOYSA-N 414.487 3.493 5 40 HGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1ccccc1C(F)(F)F 54959689 WJTLELDCNGEUOV-UHFFFAOYSA-N 408.380 3.374 5 40 HGBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2ccccc2Cl)co1 79071797 JXSBHLDYVXWHEV-UHFFFAOYSA-N 414.761 3.450 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccccc2Cl)no1 223771611 DFGHQVXSJVEARY-UHFFFAOYSA-N 408.823 3.085 5 40 HGBB Cc1nc(CN2CCCN([C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3C)CC2)oc1C 609274567 IPTLVKSVEBXCSW-INIZCTEOSA-N 415.494 3.043 5 40 HGBB O=C(OCC(=O)N1CCc2ccccc2C1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 8340910 ZUYVJRQQXXKPKX-UHFFFAOYSA-N 423.469 3.327 5 40 HGBB CCOc1ccc(CNC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1OCC 219824470 GMADPBGYROVROH-UHFFFAOYSA-N 404.419 3.096 5 40 HGBB COc1cc(OCC(=O)NCc2nc(-c3ccccc3Cl)no2)ccc1[N+](=O)[O-] 219829305 BLEFNVVWJSEHEZ-UHFFFAOYSA-N 418.793 3.002 5 40 HGBB CSc1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220390224 SFIGMPVWBJYRHU-CYBMUJFWSA-N 423.516 3.418 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccccc1Cl)S(C)(=O)=O 220379477 OAYJUSSCHCHPPY-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@@H]2C[C@@H]2[N+](=O)[O-])ccc1Cl 40114702 VWVHWFQLQCLAOX-ZBFHGGJFSA-N 423.878 3.159 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(C)c1C)S(C)(=O)=O 220382376 ZOOOCKGKCVYUMN-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17090261 OTIDQTHBMHVBCG-UHFFFAOYSA-N 415.431 3.230 5 40 HGBB O=[N+]([O-])c1ccc(Nc2ccc3c(c2)OCCCO3)c(S(=O)(=O)N2CCCC2)c1 32668093 IFTIAPUUBNXBTM-UHFFFAOYSA-N 419.459 3.284 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1ccccc1Cl)Nc1cccc([N+](=O)[O-])c1 8416485 LRBCLNWYENUWEL-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 8417265 HTKXSUCTJNKVLV-UHFFFAOYSA-N 403.366 3.025 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1nc(-c2ccc(Br)cc2)cs1 12948885 FVYIQGXXJOPSOX-UHFFFAOYSA-N 408.237 3.316 5 40 HGBB CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 7108002 VZALSULGHGLIPD-SNVBAGLBSA-N 405.794 3.391 5 40 HGBB CCOC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224768264 JUCINQLCIMTAGB-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB CCCCCn1ccc2nc3ccn(-c4nc(SCC)n[nH]4)c(=O)c3cc2c1=O 40398902 NNWHRRPUSGQMFS-UHFFFAOYSA-N 410.503 3.121 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1cccc([N+](=O)[O-])c1 13590484 WFXYNCRZKYHEMJ-MRXNPFEDSA-N 424.291 3.113 5 40 HGBB COCCCn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3OC)cnc21 2195899 WJCWFJDYGPTZDD-UHFFFAOYSA-N 415.453 3.329 5 40 HGBB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O 8946268 HIQRXMKFNPNLPR-NRFANRHFSA-N 410.430 3.089 5 40 HGBB Cc1ccc(-c2nnc(SCc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)n2N)cc1 13148327 XRDQDICPOCHPDG-UHFFFAOYSA-N 409.431 3.218 5 40 HGBB O=C(Nc1cccc(CN2CCCC2=O)c1)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 24745745 LOTILWHCBAKVQG-UHFFFAOYSA-N 405.414 3.155 5 40 HGBB COC(=O)C[C@@H](C)C(=O)c1ccc(NC(=O)c2ccc(OC)cc2)c([N+](=O)[O-])c1 34168678 BVRUHPOPLACNJO-GFCCVEGCSA-N 400.387 3.238 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@H]1C[C@H]2C[C@H]3C[C@H]2C[C@H]1C3 102692008 BTUZUIDUPGWLIR-ZRSRNVLSSA-N 416.542 3.291 5 40 HGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 224785568 ARILORVMWSNOPR-UHFFFAOYSA-N 418.349 3.202 5 40 HGBB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)COc1ccccc1[N+](=O)[O-] 3449084 QZIIMAMAACIXGM-UHFFFAOYSA-N 405.838 3.423 5 40 HGBB C[C@@]12NC(=S)N[C@@H](c3cc([N+](=O)[O-])ccc3O1)[C@@H]2C(=O)Nc1ccc(Cl)cc1 20641338 SPDNQJKWBRBGCH-RVKKMQEKSA-N 418.862 3.131 5 40 HGBB Cn1ccnc1[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 29965250 LOCYVPUOCGFXPK-INIZCTEOSA-N 424.841 3.189 5 40 HGBB NS(=O)(=O)c1ccc(N(CCc2ccc(Cl)cc2)CC2CC2)c([N+](=O)[O-])c1 72286889 JUMNRJFKLDNVEU-UHFFFAOYSA-N 409.895 3.355 5 40 HGBB CC(=O)Nc1ccc(C(=O)N[C@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4686950 FMLRHVAIIJWZST-MRXNPFEDSA-N 405.794 3.152 5 40 HGBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)CCCC1=O 8475183 MBRYVMQGTDNFOI-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@@H](c2ccccc2Cl)n2nnnc2N3)c1 10296507 MJDGJSFBUFFDAW-MRXNPFEDSA-N 422.792 3.092 5 40 HGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(NC(=O)c2ccccc2)CC1 10781287 ZLXCKKFDSJAPSS-OAHLLOKOSA-N 413.499 3.496 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCCc1nc2ccccc2c(=O)[nH]1 12910274 BFUCBSGPGXRUKW-UHFFFAOYSA-N 414.849 3.466 5 40 HGBB CCOC(=O)C1=C(C)N[C@@H](c2ccccc2[N+](=O)[O-])N[C@H]1c1ccccc1[N+](=O)[O-] 19872860 SWGJSVWPFFSGRV-RBUKOAKNSA-N 412.402 3.273 5 40 HGBB COc1ccc(NC(=O)CN2CCN(Cc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 95351143 UPJKJEAWJXNEBD-UHFFFAOYSA-N 418.881 3.013 5 40 HGBB CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 223590676 WAUWGGFOEXOVIU-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB COc1ccc(C(=O)Oc2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])cc2)cc1 409319152 BCUIKMOQLDAXPN-WCIBSUBMSA-N 409.354 3.194 5 40 HGBB COC(=O)CN(c1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 8729470 NCNUMWRCJOKZFM-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB O=C(NCc1cccnc1)/C(=C\c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 12935432 YHTPBCLIURXLPA-DEDYPNTBSA-N 402.410 3.077 5 40 HGBB Cc1ccccc1CS(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2)CC1 19867657 UKUJJYNLYQZHFW-UHFFFAOYSA-N 417.487 3.084 5 40 HGBB COC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2c(C)cc(C)cc21 100910618 VXAUHTWWQMLPPX-ZCXUNETKSA-N 405.457 3.203 5 40 HGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408685204 OYYQYSNQLODZIR-YSGRDPCXSA-N 419.437 3.349 5 40 HGBB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)[C@@H]1C 4840592 QSEONKXXOFBSKR-INMHGKMJSA-N 403.479 3.293 5 40 HGBB CCOC(=O)c1ccnc(N2CCN([C@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] 95456935 TXCADFWKLRURFM-CQSZACIVSA-N 402.426 3.189 5 40 HGBB Cc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)NCc2ccncc2)cc1 5021858 VOPYCCWHNUIXFA-STZFKDTASA-N 416.437 3.386 5 40 HGBB CCc1ccccc1NC(=S)NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17089900 CEKDXISJSVJELR-UHFFFAOYSA-N 414.487 3.121 5 40 HGBB O=c1/c(=C\c2ccc(Br)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 4534406 MVZFZQOAEKQMGT-RIYZIHGNSA-N 402.229 3.128 5 40 HGBB CN(C)[C@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 10333831 YSIJZAJANONUMS-HXUWFJFHSA-N 406.442 3.106 5 40 HGBB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2cccc([N+](=O)[O-])c2)CCO1 5862230 CCVVHHAPYLFUDF-BBRMVZONSA-N 418.475 3.402 5 40 HGBB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 12950523 GHVMRMFQDCQOQD-AWEZNQCLSA-N 410.407 3.037 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)NC1CCN(C(=O)CCc2ccccc2)CC1 48324348 XASQUSMWGHWPJV-UHFFFAOYSA-N 414.437 3.479 5 40 HGBB O=C(CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2)Nc1cccc([N+](=O)[O-])c1 100433791 JELMMOLHVJAROT-OALUTQOASA-N 423.473 3.350 5 40 HGBB CCOc1ccc(C(=O)NCCNc2c(Cl)cccc2[N+](=O)[O-])cc1[N+](=O)[O-] 4559330 FXCHKTNEAJXDFQ-UHFFFAOYSA-N 408.798 3.397 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1cc([N+](=O)[O-])ccc1O 16920379 NDAHDRRICDCVFA-CHHVJCJISA-N 417.374 3.115 5 40 HGBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 20798549 RLLIYWPNNZNCFT-SFHVURJKSA-N 423.425 3.424 5 40 HGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2O)CC1 58160259 KIRYUFFBMRZPFG-ZDUSSCGKSA-N 404.854 3.103 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(OC2CCN(C)CC2)cc1 216947077 FZTHIQGMJYBCCE-UHFFFAOYSA-N 405.476 3.177 5 40 HGBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OC 409318149 TWXXUMYZOIXGJF-PLNGDYQASA-N 412.196 3.136 5 40 HGBB Cc1c(NC(=O)CSc2nnnn2-c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 3492896 DRXKABHOPLGREG-UHFFFAOYSA-N 404.839 3.263 5 40 HGBB Cn1c(CN2CCN(C(=O)c3ccc(Cl)cc3)CC2)nc2cc([N+](=O)[O-])ccc21 20518614 DTPMGOFDQLDEJL-UHFFFAOYSA-N 413.865 3.093 5 40 HGBB Cc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)cc1 23105886 VJIASJXSVHWMQY-LJQANCHMSA-N 403.866 3.360 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(Nc3ccccc3)nn2)CC1 90485791 NFHPDJDSCISLBL-UHFFFAOYSA-N 404.430 3.091 5 40 HGBB Cc1ccc(C(=O)NC2CCN(CC(=O)Nc3ccc([N+](=O)[O-])cc3C)CC2)cc1 4909072 DADAPPPTUNDSHC-UHFFFAOYSA-N 410.474 3.045 5 40 HGBB CC(C)Oc1ccc([C@@H]2CC(=O)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 100773275 MWQHYFBKDKJTSZ-HNNXBMFYSA-N 414.374 3.160 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N1CCc2ccccc21)S(C)(=O)=O 222377010 KKPZQHGNGZWLMA-UHFFFAOYSA-N 417.487 3.039 5 40 HGBB CC(C)[C@@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 7942973 ISKUPWZUDWVCRT-LJQANCHMSA-N 409.446 3.105 5 40 HGBB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 8417305 IEYAHTBSFVXKOM-UHFFFAOYSA-N 413.430 3.448 5 40 HGBB Cc1c(-c2nn3c(Cc4ccccc4)nnc3s2)nnn1-c1ccc([N+](=O)[O-])cc1 10435199 FCLZIIAYBSSUKM-UHFFFAOYSA-N 418.442 3.241 5 40 HGBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCc1nc2ccccc2n1C(F)F 25438005 LIFGGDRMODJNHF-NSHDSACASA-N 418.356 3.201 5 40 HGBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2ccccc21 4484888 RNQFYIBABJLDEX-UHFFFAOYSA-N 416.459 3.330 5 40 HGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(Nc3ccccc3OC)n2)c1 9312404 ISYAINXXMOXFJX-UHFFFAOYSA-N 412.406 3.480 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 9778698 UOENKLIVVKRGHY-QFIPXVFZSA-N 424.457 3.432 5 40 HGBB COc1cc(C(=O)NCC2(c3ccccc3)CCC2)c([N+](=O)[O-])c(OC)c1OC 10221944 AADISPHFXVLYAD-UHFFFAOYSA-N 400.431 3.472 5 40 HGBB O=[N+]([O-])c1cnc(Nc2ccc3nc(O)[nH]c3c2)nc1Nc1ccc2nc(O)[nH]c2c1 1505840658 MOLKAXHDEXFHBC-UHFFFAOYSA-N 419.361 3.036 5 40 HGBB CCN(C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)c1ccccc1 57466847 CHLTYXBWSAWFQY-UHFFFAOYSA-N 419.485 3.318 5 40 HGBB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c(OC)c1 409050865 BPVWHGMMSJNHMR-UHFFFAOYSA-N 413.430 3.103 5 40 HGBB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)Nc4ccc([N+](=O)[O-])cc4)c[nH]c32)cc1 10166813 ZNEWCQPZIUHSOM-UHFFFAOYSA-N 403.398 3.491 5 40 HGBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])sc2c1CCCC2 2080091 LJDJGFMWQIYNKK-UHFFFAOYSA-N 405.388 3.482 5 40 HGBB COc1cc(C[N+]23CC[N+](Cc4cc(OC)cc(OC)c4)(CC2)C3)cc(OC)c1 19319487 UWAWKECHULPFLE-UHFFFAOYSA-N 400.519 3.040 5 40 HGBB COCCNc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCO3)cc1[N+](=O)[O-] 27955844 WSBXMUCPLVHZTL-UHFFFAOYSA-N 422.821 3.435 5 40 HGBB COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1F 32689352 LKIJFFOOBPMXBK-VURMDHGXSA-N 413.361 3.281 5 40 HGBB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220415377 OQBGTOMZQNNREU-HZPDHXFCSA-N 419.503 3.244 5 40 HGBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 4833084 WPFWNKHXALYMOX-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)NC(C)C)cc3[N+](=O)[O-])ccc12 33012225 QBHMNHZJZPIYGK-UHFFFAOYSA-N 418.427 3.489 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cccc(C(=O)CCC(=O)O)c2)c1C 79054870 WGNQUVQMBBOKAN-UHFFFAOYSA-N 406.416 3.060 5 40 HGBB O=C(Nc1ncc([N+](=O)[O-])s1)c1cccn(Cc2c(F)cccc2Cl)c1=O 5269574 VISIZANXCZVARW-UHFFFAOYSA-N 408.798 3.306 5 40 HGBB CC(C)C[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 11679409 JHAUKKFYJPCIKZ-KSZLIROESA-N 400.431 3.004 5 40 HGBB COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@@](O)(C(F)(F)F)C2)cc1 32100974 HCOAMZJPGMMUEF-KRWDZBQOSA-N 409.320 3.105 5 40 HGBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223628392 DGBKIUYOSLNIID-WOJBJXKFSA-N 423.498 3.135 5 40 HGBB COC(=O)c1cc(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)cc(C(=O)OC)c1 408563171 JVCRPCHBJTVVIA-UHFFFAOYSA-N 418.427 3.040 5 40 HGBB O=C(NC(=S)Nc1ccc(Cl)cn1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408628517 UJPLKVYPGHBXIZ-UHFFFAOYSA-N 405.867 3.370 5 40 HGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684448 NIEYKXFSLDKLSN-WOJBJXKFSA-N 419.437 3.494 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)c1ccccc1 409363780 VBHOPIKYGPEIQK-IDUWFGFVSA-N 412.379 3.243 5 40 HGBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)o1 524734472 IIWNIAVSTCYFHM-CQSZACIVSA-N 410.382 3.312 5 40 HGBB COC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(OC)c(OC)cc12 5796008 JUHHCIZFSUWIEH-UHFFFAOYSA-N 404.382 3.093 5 40 HGBB O=C(Nc1ccc2c(c1)CCO2)[C@@H]1CCCCN1c1nc2ccccn2c1[N+](=O)[O-] 79076541 SJSXXKJSQGIIEV-INIZCTEOSA-N 407.430 3.175 5 40 HGBB O=[N+]([O-])c1c(Cl)ccc(I)c1I 98211024 CQWUELCVOWBNPU-UHFFFAOYSA-N 409.348 3.457 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 100744050 GJCVLNBCDWBENC-KODHJQJWSA-N 406.394 3.350 5 40 HGBB Cc1c([N+](=O)[O-])cc(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)cc1[N+](=O)[O-] 2729663 WEODWYJNPLQDAO-UHFFFAOYSA-N 404.810 3.427 5 40 HGBB Cc1cc([N+](=O)[O-])nn1CCc1nnc(Nc2ccn(Cc3ccccc3)n2)s1 2730838 VVHZZNMHGCPMSS-UHFFFAOYSA-N 410.463 3.182 5 40 HGBB COc1cccc(OC)c1NC(=O)[C@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] 4981351 JZEOTEDHXMSHOY-OAHLLOKOSA-N 414.418 3.247 5 40 HGBB O=C1C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)c(Cl)c1 5205446 MDOWGVBFZHFAHS-GOSISDBHSA-N 403.753 3.214 5 40 HGBB Cc1cc(=O)oc2cc(OC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)ccc12 5657912 NUHFZJNEFAXGDL-UHFFFAOYSA-N 410.382 3.065 5 40 HGBB Cc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 10324450 VRRKFDMQZKBZQC-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=[N+]([O-])c1ccc(-c2nnc(SCCN3CCOCC3)n2-c2ccccc2)cc1 19374468 GQSIBARPRXDSKF-UHFFFAOYSA-N 411.487 3.267 5 40 HGBB CC[C@@H](C(=O)Nc1ccccc1Cl)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514216 OLQOYPLKNVJQCS-INIZCTEOSA-N 411.867 3.432 5 40 HGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccc(-c2ccccc2[N+](=O)[O-])o1 1449299 PVGFAMHQHVOWIM-UHFFFAOYSA-N 412.398 3.436 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 409231770 MDYLCCYETNOOEQ-VIZOYTHASA-N 417.374 3.115 5 40 HGBB CS(=O)(=O)c1ccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)cc1 12522623 UYWKSUOXEVDBSK-UHFFFAOYSA-N 406.463 3.197 5 40 HGBB Cc1cc(C(=O)Nc2ccccc2C(=O)NCCCn2ccnc2)ccc1[N+](=O)[O-] 10313204 ZCHLGXBVNNOOJF-UHFFFAOYSA-N 407.430 3.172 5 40 HGBB O=C(Nc1cccc(NC(=O)c2cccc([N+](=O)[O-])c2)n1)c1cccc([N+](=O)[O-])c1 6444697 OCBJUXPDNLHGKD-UHFFFAOYSA-N 407.342 3.403 5 40 HGBB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cc([N+](=O)[O-])cc2c1OCOC2 16626048 FJSYKABPBWBKAX-UHFFFAOYSA-N 421.837 3.194 5 40 HGBB O=C1C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1cccc(C(F)(F)F)c1 9451287 DTHCIPXQSDWUDO-SFHVURJKSA-N 419.315 3.440 5 40 HGBB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223685999 PVPUFNBLYNDNDI-AWEZNQCLSA-N 403.866 3.344 5 40 HGBB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222512784 JOFZSVQUSGKOLX-KBXCAEBGSA-N 405.476 3.017 5 40 HGBB CCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225010758 QTOAUHFUMSKQBN-INIZCTEOSA-N 413.474 3.089 5 40 HGBB COc1ccc(OC)c(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c1 1781936 ZGLIERRCDLFFFS-QGZVFWFLSA-N 414.478 3.388 5 40 HGBB biogenic O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 4318626 ASQRVIWSKZPBNU-HNNXBMFYSA-N 408.863 3.078 5 40 HGBB COc1ccc([C@@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 8867658 UKIAPMXBYWZAOC-OAQYLSRUSA-N 413.474 3.326 5 40 HGBB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3cc(Cl)c([N+](=O)[O-])cc3c2=O)c1 12814541 WFZCFUCNIWYBQT-CYBMUJFWSA-N 403.822 3.015 5 40 HGBB O=[N+]([O-])c1cccc(N(S(=O)(=O)c2ccccc2)S(=O)(=O)c2ccccc2)c1 32627989 NMGQXPDVUQENLO-UHFFFAOYSA-N 418.452 3.179 5 40 HGBB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1cc(C)ccc1[N+](=O)[O-] 36612364 KZSTUVREULLFRV-RDTXWAMCSA-N 404.444 3.279 5 40 HGBB CCOC(=O)c1nc(CN2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cs1 48262025 QUAGEQKQEGPFJA-UHFFFAOYSA-N 410.883 3.204 5 40 HGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(O)cc2)CC1 57945543 PPEZWONUKKZIGQ-ZDUSSCGKSA-N 404.854 3.103 5 40 HGBB O=C(Nc1ccncc1NC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 9404971 OMENASLIJPIDPC-UHFFFAOYSA-N 407.342 3.403 5 40 HGBB O=C(NCc1ccccc1S(=O)(=O)N1CCCCC1)Nc1cccc([N+](=O)[O-])c1 10464993 UGTNSHIBCJQLJM-UHFFFAOYSA-N 418.475 3.091 5 40 HGBB CC1CCN(c2ccc(C(=O)NCCc3cn4ccccc4n3)cc2[N+](=O)[O-])CC1 12582961 GEJFJIXURDJTPG-UHFFFAOYSA-N 407.474 3.451 5 40 HGBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223601045 USGQKFWTDXNEIT-RBUKOAKNSA-N 410.455 3.215 5 40 HGBB CC(=O)OCC[N+](C)(C)CCCCCCCCCC[N+](C)(C)CCOC(C)=O 5046563 ATROJRBLMQMZRQ-UHFFFAOYSA-N 402.620 3.386 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)CCC(=O)c1ccccc1 7395894 CQIYXHFRDHDUID-CYBMUJFWSA-N 400.387 3.137 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)s1 25048822 DVUMXIGLHITCPQ-UHFFFAOYSA-N 418.500 3.024 5 40 HGBB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224849543 YYRHRLWKKUTBMR-HNNXBMFYSA-N 401.438 3.220 5 40 HGBB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 6421565 RAZCSBCQMXHTPN-UHFFFAOYSA-N 410.474 3.460 5 40 HGBB O=C(Nc1ccc2c(c1)CCO2)[C@H]1CCCCN1c1nc2ccccn2c1[N+](=O)[O-] 79076536 SJSXXKJSQGIIEV-MRXNPFEDSA-N 407.430 3.175 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 6139215 KRTUAFMBCSIPFN-VGOFMYFVSA-N 403.460 3.277 5 40 HGBB COC(=O)c1ccc(/C=C2/SC(=O)N(CNc3cccc([N+](=O)[O-])c3)C2=O)cc1 408972791 FRZGDECWTTUTHB-CXUHLZMHSA-N 413.411 3.487 5 40 HGBB O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1ccc(Cl)cc1[N+](=O)[O-] 4599891 ZBEDXMXBAVSCNU-UHFFFAOYSA-N 406.847 3.475 5 40 HGBB COc1ccc(Cl)cc1NC(=O)CN(C)[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6587701 ZBRQFQVPOKLBGK-LBPRGKRZSA-N 420.853 3.154 5 40 HGBB CC(C)C[C@@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccccc1[N+](=O)[O-] 84456909 NDLBXXOPIMIUHG-FQEVSTJZSA-N 408.499 3.452 5 40 HGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 8475168 NIEYKXFSLDKLSN-UXHICEINSA-N 419.437 3.494 5 40 HGBB Cc1occc1-c1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)n1C 12645538 FOVOTSRHLVNFFN-UHFFFAOYSA-N 414.491 3.207 5 40 HGBB Cc1ccc(C(=O)O)cc1Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 8779783 ZVZTWNFIHCMGKD-UHFFFAOYSA-N 405.432 3.130 5 40 HGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 408646685 UCIOMGMLVKKTTH-NSHDSACASA-N 419.821 3.257 5 40 HGBB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 14095230 URJIXHFGLFRESL-KRWDZBQOSA-N 409.273 3.250 5 40 HGBB COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 17090594 QRESKKGVSCWGEV-UHFFFAOYSA-N 416.459 3.325 5 40 HGBB O=C(O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113882816 CKUCAHKVVSJLKP-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB CC[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(C)cc1 12597095 CNEIRUDHFFPVNV-GOSISDBHSA-N 419.503 3.487 5 40 HGBB O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@H](O)c1cccc2ccccc12 1192395478 IQUFZNLTWUYXSY-KRWDZBQOSA-N 406.847 3.413 5 40 HGBB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccc(Br)cc32)cc1[N+](=O)[O-] 16347813 SHGOMXJPGUKLFO-SFHVURJKSA-N 419.231 3.103 5 40 HGBB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1=O 10461985 IOCGVCHRIFAPPR-MRXNPFEDSA-N 424.457 3.434 5 40 HGBB COc1cccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 1807623 MWIYEDTXHXPAPY-UHFFFAOYSA-N 411.414 3.399 5 40 HGBB C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 14575163 UVDJHAQWNYELME-ZDUSSCGKSA-N 404.417 3.116 5 40 HGBB O=C1C[C@H](c2ccccc2)n2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2N1 16956076 IOOYEZAMYXWJLI-CYBMUJFWSA-N 412.793 3.024 5 40 HGBB CN(C)c1cc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccn1 32913622 CLPLIEXLARXVFJ-UHFFFAOYSA-N 423.395 3.037 5 40 HGBB Nc1ccc([N+](=O)[O-])cc1C(=O)NCC1CCN(Cc2ccccc2Cl)CC1 97162887 VCKNHUVLRQHGLO-UHFFFAOYSA-N 402.882 3.472 5 40 HGBB Cc1c(OCC(=O)NC[C@@H](O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 6659033 ADHNDFLNPSEDMD-HXUWFJFHSA-N 403.434 3.483 5 40 HGBB O=C(COc1ccc(Cl)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1-n1cncn1 25029771 KCBYOWVOYWJQFN-UHFFFAOYSA-N 408.201 3.500 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc2c(n1)[nH]c1ccccc12 59267898 JGWRXDNSAHAIDO-UHFFFAOYSA-N 410.415 3.154 5 40 HGBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCC1 408696734 DXERHJKHMACDRA-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB O=C(CNC(=O)c1cc(Cl)cc([N+](=O)[O-])c1)OCc1nc2ccccc2s1 3325560 CEURKWUJPFFZLT-UHFFFAOYSA-N 405.819 3.331 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(C=O)cc2OC)c([N+](=O)[O-])c1 3886637 WHTZJSQDGLZZJQ-UHFFFAOYSA-N 408.432 3.239 5 40 HGBB CCc1cccc(CC)c1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10365107 HJVOGYBHBOQDIS-UHFFFAOYSA-N 419.503 3.433 5 40 HGBB C[C@]1(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)NC(=O)NC1=O 72312270 JZKQACAEGSJAQX-OAHLLOKOSA-N 420.775 3.082 5 40 HGBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102728720 SIPUPZSEKHAJRB-AQNXPRMDSA-N 416.393 3.041 5 40 HGBB CCc1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220379204 IQKHEUAXKSPGPV-AWEZNQCLSA-N 405.476 3.259 5 40 HGBB CCCC[C@H](CC)CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224819586 OULQQPYIGFIRQO-INIZCTEOSA-N 413.540 3.474 5 40 HGBB CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071734 ZWCRHQBKTFVUMO-UHFFFAOYSA-N 406.460 3.224 5 40 HGBB COc1cc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc(OC)c1OC 2468581 SHBCXEOFDCFFQV-VLIAUNLRSA-N 415.402 3.390 5 40 HGBB CCOc1ccc(-c2cccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)c2)nn1 4270378 JWUKYRVZJLFUQM-UHFFFAOYSA-N 400.416 3.251 5 40 HGBB CCOc1ccccc1NC(=O)C[C@H]1SC(Nc2ccc([N+](=O)[O-])cc2)=NC1=O 5499918 RWFHLEJLPWDGTI-MRXNPFEDSA-N 414.443 3.432 5 40 HGBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 5846241 YEHYNBIZHYRJDP-UHFFFAOYSA-N 413.415 3.334 5 40 HGBB CC(C)OC(=O)C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccccc1[N+](=O)[O-] 15363478 ZZZAUCZTYRFHJN-MRXNPFEDSA-N 410.423 3.095 5 40 HGBB COCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 25322220 HAJPJCBZIVFDBH-UHFFFAOYSA-N 409.446 3.111 5 40 HGBB CN(CCCNc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccccn1 32927027 DMBVKINPFUTFDY-UHFFFAOYSA-N 418.397 3.222 5 40 HGBB COc1ccc([C@@H](C)NC(=O)c2cc([N+](=O)[O-])ccc2OC)cc1Cn1cccn1 84647824 LPEUZESGOLHAIF-CQSZACIVSA-N 410.430 3.348 5 40 HGBB O=C1NC(=O)/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N1 408917983 DSNYQKYRNXKUHK-RIYZIHGNSA-N 418.203 3.117 5 40 HGBB O=C(CCc1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCOCC1 2771223 QAYFQQGMEGVINP-UHFFFAOYSA-N 401.375 3.087 5 40 HGBB COc1cc(NC(=O)CSc2nnc(-c3ccco3)n2C)c(C)cc1[N+](=O)[O-] 13165027 REHIOPROEPZNCM-UHFFFAOYSA-N 403.420 3.031 5 40 HGBB COc1ccc(C(=O)N(C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)cc1[N+](=O)[O-] 4680803 MSOYAUHCMPGQQW-KRWDZBQOSA-N 416.474 3.413 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1 4305191 VJEBBXKSABFPPJ-IBGZPJMESA-N 413.455 3.270 5 40 HGBB CN1CCN(c2nc3ccc(OC(=O)c4ccc([N+](=O)[O-])s4)cc3s2)CC1 7512752 FLQOIZRDVJHEHV-UHFFFAOYSA-N 404.473 3.237 5 40 HGBB COc1c2c(cc3c1[C@H](CC(=O)c1ccc4c(c1)OCCO4)[N+](C)(C)CC3)OCO2 1828435 JULAHYUGRLGPAM-INIZCTEOSA-N 412.462 3.142 5 40 HGBB biogenic COc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1[N+](=O)[O-] 2660881 GYIDJENPLXFNSV-INIZCTEOSA-N 416.430 3.240 5 40 HGBB O=C(COC(=O)c1cc(O)c2ccccc2c1O)Nc1ccc(F)cc1[N+](=O)[O-] 6890562 DJTKRJGRZKUIQV-UHFFFAOYSA-N 400.318 3.094 5 40 HGBB CCOC(=O)c1ccc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)cc1Cl 219826976 XLYXLYSWNKQOLG-UHFFFAOYSA-N 408.794 3.451 5 40 HGBB Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 220037390 YNUMXMLJFZOTHQ-INIZCTEOSA-N 419.503 3.163 5 40 HGBB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223023243 GXYRHYCGFPYGKZ-UXHICEINSA-N 423.498 3.399 5 40 HGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 224786650 GCDUBKINOIANTA-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB CCCC[C@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35313895 RKXHIUUJEOBQEG-GOSISDBHSA-N 401.515 3.390 5 40 HGBB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224767293 ZZPOOXAWSKRDCD-UHFFFAOYSA-N 406.460 3.395 5 40 HGBB COc1ccc(Br)cc1S(=O)(=O)Nc1cc([N+](=O)[O-])ccc1C 7053324 VRBJNDUBPZDQBE-UHFFFAOYSA-N 401.238 3.475 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc2ccccc2c1 7062994 SVZXJKOKYJVLIC-UHFFFAOYSA-N 410.382 3.317 5 40 HGBB CN(C)CCCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2cc3c(cc2s1)OCO3 10068106 VDBQQWBAIAAYEY-UHFFFAOYSA-N 418.431 3.125 5 40 HGBB COc1ccc(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 10219119 IMWOSIKQEKWMRD-UHFFFAOYSA-N 412.851 3.449 5 40 HGBB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 15279244 ZFVZJRJQZGNZAA-UHFFFAOYSA-N 410.430 3.085 5 40 HGBB COc1ccccc1OCCNC(=O)COc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 59417129 YKJMWEBVLXMZAI-UHFFFAOYSA-N 414.336 3.196 5 40 HGBB Cn1ccnc1C(=O)c1ccc(NCCc2nc3ccc(F)cc3[nH]2)c([N+](=O)[O-])c1 72313851 AWVCNMPJZFUMLU-UHFFFAOYSA-N 408.393 3.229 5 40 HGBB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@H]2[N+](=O)[O-])ccc1Cl 245225477 VWVHWFQLQCLAOX-GOEBONIOSA-N 423.878 3.159 5 40 HGBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1nnc(-c2ccccc2)o1 6011915 GTTKYMDLYZWQRG-UHFFFAOYSA-N 402.750 3.094 5 40 HGBB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7881678 PBGIHPULAAXAFD-RDJZCZTQSA-N 410.426 3.379 5 40 HGBB COc1ccc(NS(=O)(=O)c2ccc(Sc3nccn3C)c([N+](=O)[O-])c2)cc1 35103849 NEYUUNQQNALPPO-UHFFFAOYSA-N 420.472 3.289 5 40 HGBB CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OC 408568297 SXNKMHKJAAVMSL-OOIKZJQMSA-N 423.469 3.148 5 40 HGBB COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c(O)c1 1279996 YXOQQELLLVAKEN-INIZCTEOSA-O 400.451 3.085 5 40 HGBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N(C)C 10333839 DOKXZDNTPFPYJM-OAQYLSRUSA-N 420.469 3.414 5 40 HGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(O)cc2)CC1 57945544 PPEZWONUKKZIGQ-CYBMUJFWSA-N 404.854 3.103 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 409409558 HYSGRCCJSWHRQF-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB O=C(OCC(Br)(COC(=O)c1cccs1)[N+](=O)[O-])c1cccs1 2556000 RZPPNOFRQWVDSY-UHFFFAOYSA-N 420.262 3.191 5 40 HGBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 409178111 GKGYTSBTIZJPIW-KDURUIRLSA-N 406.394 3.407 5 40 HGBB CC1(C)OC(=O)C(Cc2ccc([N+](=O)[O-])cc2)(Cc2ccc([N+](=O)[O-])cc2)C(=O)O1 3096119 VSODMOTYJZXJOB-UHFFFAOYSA-N 414.370 3.111 5 40 HGBB O=C(Nc1cccc(Br)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4895944 FIYXPKLBBRMPNQ-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB Cc1ccc(C)c(OCCOC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1 16318880 SPPRSXFNHKATMM-UHFFFAOYSA-N 400.431 3.284 5 40 HGBB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1ccccc1[N+](=O)[O-] 19468739 QYUNHLQUPWFEPS-QFIPXVFZSA-N 423.425 3.026 5 40 HGBB O=[N+]([O-])c1ccc2c(c1)[C@@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 31793480 SYZQQZSBHCAWAX-SFHVURJKSA-N 403.479 3.092 5 40 HGBB COc1ccc(S(=O)(=O)N[C@H](c2ccc3c(c2)OCCO3)C(C)C)c([N+](=O)[O-])c1 32895701 YLUCKDFKCGSZDJ-IBGZPJMESA-N 422.459 3.050 5 40 HGBB Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 40155779 NQZGHKZHQSTAAT-LSDHHAIUSA-N 413.496 3.017 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 3503587 MYILQBFLURMMNU-UHFFFAOYSA-N 403.334 3.374 5 40 HGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 8475245 JUEKEPRSEXZQCM-UXHICEINSA-N 419.437 3.494 5 40 HGBB NS(=O)(=O)c1ccc(N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c1 9469574 AVOCEAPLVDJJLL-UHFFFAOYSA-N 418.500 3.236 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@@H](c1cccc2ccccc12)N(C)C 10333842 ZXLHPTHZQQIRKK-NRFANRHFSA-N 420.469 3.414 5 40 HGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(N2CCOCC2)cn1 12770040 UKIDSLBWODMCFM-UHFFFAOYSA-N 414.465 3.025 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 13387811 FEKBOEQCYYDCIZ-INIZCTEOSA-N 409.445 3.248 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cccc(F)c2)C1=O)Nc1ccc([N+](=O)[O-])cc1O 16920794 WZJMMRYQEYDPCU-CHHVJCJISA-N 417.374 3.115 5 40 HGBB O=c1c2cc3c(=O)n(Cc4ccncc4)ccc3nc2ccn1CCc1ccccc1 40398846 GSAVISDVECJSNY-UHFFFAOYSA-N 408.461 3.397 5 40 HGBB COc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 222592405 UMUBZWASLJYJBC-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)CC1 58162258 BNRIFWCNXOVVPQ-QDMVDURRSA-N 411.524 3.167 5 40 HGBB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)CC1 20455524 VDRCBAJKNIWEHS-UHFFFAOYSA-N 409.895 3.209 5 40 HGBB Cc1ccc(N2C(=O)N(CC(=O)Nc3ccc(C)c(C)c3[N+](=O)[O-])C(=O)[C@H]2C)cc1 6640087 MCRXSOHMTNNHFP-OAHLLOKOSA-N 410.430 3.316 5 40 HGBB COc1ccc(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cn1 9338518 JVRVRYGFBXDEGU-UHFFFAOYSA-N 420.491 3.175 5 40 HGBB CC[N@+]12CCC[C@@]34CC[C@@]5([C@H](C(=O)OC)C3)N(C(C)=O)c3ccccc3[C@@]5(CC1)[C@@H]42 247648281 LETLXEQFYFDEOJ-FCJCMXMISA-N 409.550 3.406 5 40 HGBB biogenic,in-vitro CCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccc(OC)c(OC)c1 5354791 TXEUXIGFKBNZQS-UHFFFAOYSA-N 419.481 3.071 5 40 HGBB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17089824 VOJJRERAVMMFMO-UHFFFAOYSA-N 414.443 3.020 5 40 HGBB COc1cc2c(cc1OC)CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)CC2 5346112 ORZLVMGMHXJGQA-UHFFFAOYSA-N 405.838 3.262 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)[nH]1 14152587 BMTVFWKEEHUEJY-UHFFFAOYSA-N 415.431 3.031 5 40 HGBB CCOC(=O)c1cnn(-c2cccc(NC(=O)Cc3ccc([N+](=O)[O-])cc3)c2)c1C 25993467 QFMJOPOCBABRTE-UHFFFAOYSA-N 408.414 3.447 5 40 HGBB CCOc1cc(C(=O)N[C@H](c2ccccc2)c2nccn2C)c([N+](=O)[O-])cc1OC 27416710 KKZAJKCVQZRQSG-LJQANCHMSA-N 410.430 3.255 5 40 HGBB CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)c1ccc(C(N)=O)cc1[N+](=O)[O-] 48310863 PJQHBKMUGDRDEO-UHFFFAOYSA-N 411.437 3.302 5 40 HGBB Cc1cc(C)n2nc(C(=O)OCc3cc(=O)oc4ccc5ccccc5c34)nc2n1 3534348 DKPNOTYHEXUGGS-UHFFFAOYSA-N 400.394 3.358 5 40 HGBB O=C(CSc1nnc(Cn2cnc3ccccc32)o1)Nc1ccc([N+](=O)[O-])cc1 6446986 JILBXJPISVZSEU-UHFFFAOYSA-N 410.415 3.107 5 40 HGBB CCOc1ccc(C(=O)NC(=S)NC2C3CC4CC(C3)CC2C4)cc1[N+](=O)[O-] 6595995 WQPMKRDYUGKQMM-UHFFFAOYSA-N 403.504 3.423 5 40 HGBB O=C(CCNS(=O)(=O)c1ccc2ccccc2c1)Nc1ccc(F)c([N+](=O)[O-])c1 15592276 MOCDYZKSAFHBHM-UHFFFAOYSA-N 417.418 3.194 5 40 HGBB O=C(NC(=S)Nc1ccccc1C(=O)O)c1cc([N+](=O)[O-])ccc1Br 17093765 GEKCLZSBNIHOHI-UHFFFAOYSA-N 424.232 3.182 5 40 HGBB O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 24829682 ZGUANDIONFWEHM-MRXNPFEDSA-N 423.450 3.473 5 40 HGBB Cc1nn(CC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] 48345233 SPAPEEXDSVEILD-IYBDPMFKSA-N 413.522 3.202 5 40 HGBB CCOc1ccc(-c2nn3c(CCCC(=O)O)nc4ccccc4c3nc2=O)cc1 89991200 VKBGOBWDAJOOTM-UHFFFAOYSA-N 404.426 3.111 5 40 HGBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1CCCC 103628119 DSANVWPQLXCUEC-DAFNUICNSA-N 424.501 3.244 5 40 HGBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)c(OC)c1 218133904 ZOSKYSJVRBGXEQ-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB Cc1cc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 220029401 QLYQLLXKLNMMNR-UHFFFAOYSA-N 405.476 3.233 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 715324 FTUGWUVRHVMBRW-FQEVSTJZSA-N 415.405 3.441 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 4207933 LXJDECQUUSHPCJ-ATNYCFDYSA-N 406.394 3.350 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2ccco2)N2CCc3ccccc32)cc1 4305194 VJEBBXKSABFPPJ-LJQANCHMSA-N 413.455 3.270 5 40 HGBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccc(Cl)cc1 7881397 SSWZJJRYMLHRCN-GXTWGEPZSA-N 416.817 3.416 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(C(=O)OCc3ccc([N+](=O)[O-])cc3)cc2)CC1 12856803 MQKQJOWQJBTWNY-UHFFFAOYSA-N 418.471 3.372 5 40 HGBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 4687803 LCVQIGKRXCZMTG-IEMQHYRPSA-N 415.427 3.373 5 40 HGBB O=C(c1cc(Br)ccc1O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5740814 QUPYGHMPEXSBTM-UHFFFAOYSA-N 406.236 3.025 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1c(C)nn(-c2ccccc2)c1C 12972880 VOHXLRGGFIIOKQ-UHFFFAOYSA-N 400.460 3.184 5 40 HGBB O=C(NCCSCc1ccccc1F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32736753 GPQZWPZXFAFOQB-UHFFFAOYSA-N 419.478 3.234 5 40 HGBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1 409178690 HMYNTIDYXPZJNC-HDICACEKSA-N 406.394 3.407 5 40 HGBB COCCNc1cc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 9190229 FXWPMZDYNQTKRG-UHFFFAOYSA-N 418.881 3.269 5 40 HGBB CCOc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9963852 SVOKHWDNKCATGW-GFCCVEGCSA-N 414.447 3.089 5 40 HGBB Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)c1[N+](=O)[O-] 12747621 UQJYSZVOONGECB-UHFFFAOYSA-N 417.487 3.008 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])C2)cc1 22258761 XDDYVVKQIZZCGZ-MRXNPFEDSA-N 417.487 3.251 5 40 HGBB O=C(Cc1ccccc1[N+](=O)[O-])NC1CCN(c2ccc(C(F)(F)F)cn2)CC1 32930171 JASNMTIIWQKCKF-UHFFFAOYSA-N 408.380 3.336 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1cccc(Cl)c1)S(C)(=O)=O 220379711 YWVNZJXOLDJIQH-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)cc1 223628477 DGBKIUYOSLNIID-VQTJNVASSA-N 423.498 3.135 5 40 HGBB O=C(COC(=O)CSc1nc2ccccc2o1)Nc1cc([N+](=O)[O-])ccc1F 3431425 DNKQXCCRWOYTDN-UHFFFAOYSA-N 405.363 3.149 5 40 HGBB CCOC(=O)C1=C(C)Nc2[nH]c(SCC)nc(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 5095517 SPXMMCNUQLLQIV-AWEZNQCLSA-N 416.459 3.185 5 40 HGBB COC(=O)[C@H](Cc1cccc([N+](=O)[O-])c1)Sc1nc2c3ccccc3ncn2n1 14134884 OSGNAEJMCXLDLJ-INIZCTEOSA-N 409.427 3.062 5 40 HGBB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 15978367 OAGVMVPFBCQFTK-IYBDPMFKSA-N 403.479 3.246 5 40 HGBB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16330624 HKYMMVILLDCNOC-MFKMUULPSA-N 409.493 3.157 5 40 HGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCc1nc(C(C)C)no1 58907925 MUCGINNQRALCLD-UHFFFAOYSA-N 401.379 3.043 5 40 HGBB CC(C)CSc1ccc([N+](=O)[O-])cc1C(=O)NCc1cccnc1-n1cncn1 95449063 JYTHJKMMSOTGGY-UHFFFAOYSA-N 412.475 3.249 5 40 HGBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCO)o1 223592182 SXMUFNMQYGUXPA-RBUKOAKNSA-N 410.455 3.215 5 40 HGBB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C(=O)[C@]31C 1879542 LOHVRMLRHFMMFP-NRFANRHFSA-N 424.388 3.464 5 40 HGBB biogenic O=[N+]([O-])c1ccc(N2CCC(NS(=O)(=O)c3cccs3)CC2)c2ncccc12 12526737 ILWQDQPAHVEQDY-UHFFFAOYSA-N 418.500 3.152 5 40 HGBB CCOc1cc2c(cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@@H](C)C2 26886282 LCHXMZDRNWYIBY-ZDUSSCGKSA-N 413.430 3.076 5 40 HGBB Cc1c(O[C@@H](C)C(=O)NCCCN2CCCC2=O)ccc2c1oc(=O)c1ccccc12 6660211 AIEQUPUSBZVQEW-INIZCTEOSA-N 422.481 3.151 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 26765354 GFKALBSMCAHTIE-UHFFFAOYSA-N 405.476 3.197 5 40 HGBB COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 36038154 PHVJOZFYTCDHBH-WTGUMLROSA-N 415.446 3.406 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(S(=O)(=O)N2CCCC2)cc1 19162883 RSEWIBDKRPQHTG-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB O=C(O)c1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 3158275 FDRBLHSYBLXGRH-UHFFFAOYSA-N 407.294 3.155 5 40 HGBB CNc1ccc([N+](=O)[O-])cc1C(=O)O[C@@H](C(=O)Nc1cc(C)on1)c1ccccc1 12557946 GTJXIXSUVZLBJP-GOSISDBHSA-N 410.386 3.470 5 40 HGBB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 2313645 ZBODNWBFZRIYLO-NSHDSACASA-N 401.375 3.280 5 40 HGBB Cc1cc(C)cc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 218240602 JWBPTOMWMLOBQY-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 11123290 JJSVWCXEVBYVLF-UHFFFAOYSA-N 423.878 3.288 5 40 HGBB CC(=O)Nc1cccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 5270818 YOYCJBZQEHNICY-UHFFFAOYSA-N 406.398 3.016 5 40 HGBB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 898384 ZRZFFVAKWKTLLS-DOMZBBRYSA-N 406.464 3.076 5 40 HGBB CC(C)(C)c1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 10338953 YIHWCTCNCNSDQC-UHFFFAOYSA-N 405.476 3.297 5 40 HGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2252145 VUKABMHNLMZYEU-UHFFFAOYSA-N 415.453 3.329 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4736779 DTZJTCCPWFNAER-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB Cc1ccc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 218238326 IZPQEXMOKPGXSN-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@@H](Cc1ccccc1)C(=O)O 2122388 LSQXUGCOFZFINB-FQEVSTJZSA-N 417.417 3.137 5 40 HGBB biogenic CCN(CC)CCn1c(NC(=O)COc2ccc([N+](=O)[O-])cc2)nc2ccccc21 10653047 TVJUEMRPPBWRCA-UHFFFAOYSA-N 411.462 3.304 5 40 HGBB O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1C[C@@H](O)COc1ccc(Cl)cc1 24969059 YHONXHJXARBCJY-LLVKDONJSA-N 410.213 3.051 5 40 HGBB CCc1n[nH]c(-n2ccc3nc4ccn(-c5cccc(Cl)c5)c(=O)c4cc3c2=O)n1 40399133 YFSBZJQLKSPVKN-UHFFFAOYSA-N 418.844 3.024 5 40 HGBB C[C@@H](OC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 104804851 ATCPTFFRGRUOTI-NZBQLKCUSA-N 420.437 3.326 5 40 HGBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1cn(-c2ccccc2C(F)(F)F)nn1 32817002 XCKPGKTUOIZMQO-UHFFFAOYSA-N 420.351 3.036 5 40 HGBB Cc1nn(CC(=O)O[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1[N+](=O)[O-] 21728815 WDDJQUGELQWTRT-SNVBAGLBSA-N 415.233 3.285 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(CS(=O)(=O)N2CCCC2)cc1 20111014 XQKMNSQGAAACFI-UHFFFAOYSA-N 423.878 3.426 5 40 HGBB CCCCOc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 3636961 PPZYEVVLVISQIM-AQTBWJFISA-N 422.466 3.453 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(NC(C)=O)c2)c([N+](=O)[O-])c1 7984096 KPRSDTPMWMMTPP-UHFFFAOYSA-N 407.448 3.376 5 40 HGBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccccc1[N+](=O)[O-] 20528596 QJRPKEVVHSRNAX-UHFFFAOYSA-N 422.363 3.058 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2O)o1 6906674 CLVXMXXJGRAOFW-UHFFFAOYSA-N 402.388 3.090 5 40 HGBB O=C(Nc1c2c(nn1-c1ccccc1)C[S@](=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1 11726337 ROXXZRNRDNKQAM-NDEPHWFRSA-N 416.846 3.449 5 40 HGBB Cc1ccc(C(=O)NCC(=O)N[C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] 12783527 MQEJDJQOJICDEK-OAHLLOKOSA-N 403.435 3.125 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 17093798 CDGBAKSUWPRFTA-UHFFFAOYSA-N 424.335 3.484 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 101577054 KSATXQVGRQIAQY-ZWMNYZCKSA-N 401.467 3.307 5 40 HGBB Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NC(C)C)cc2)cccc1[N+](=O)[O-] 408584726 UFZVYCJLZPQVRZ-UHFFFAOYSA-N 405.476 3.161 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 408932880 FKHHYZNFJAWTBS-DHDCSXOGSA-N 401.375 3.409 5 40 HGBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCCSCC3)c([N+](=O)[O-])c2)C1 32935570 OCOBDFAHIXDRMF-GASCZTMLSA-N 413.565 3.205 5 40 HGBB O=C(NC(=S)Nc1ccccc1O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 408624478 UOUDNQLRQMRCAN-UHFFFAOYSA-N 400.460 3.418 5 40 HGBB O=C(Cn1nnc2ccccc2c1=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 4744519 LXIOKMADLNEMTI-UHFFFAOYSA-N 402.366 3.375 5 40 HGBB COCCNc1cc(C(=O)c2cc(Cl)ccc2O)cn2c(=O)c3ccccc3nc12 9578691 ACKSIVJIZDCJRS-UHFFFAOYSA-N 423.856 3.496 5 40 HGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccco1 408559014 WZVSEXIOXOZFRE-UHFFFAOYSA-N 403.420 3.206 5 40 HGBB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409148817 SCTTZBJEXZNDJZ-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB CCOc1ccccc1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222515174 OYDUKVYDZQWJIV-KRWDZBQOSA-N 421.475 3.177 5 40 HGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 6025811 GTGJLXXPMNVKKB-KPKJPENVSA-N 424.438 3.443 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O 8041746 ZTSYGERTQPKBQP-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB CCOc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220380698 PWNMSYMYDOALQR-AWEZNQCLSA-N 421.475 3.095 5 40 HGBB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223729462 NWXRDBMJEUOENP-AWEZNQCLSA-N 403.866 3.344 5 40 HGBB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] 223762722 DQEYXBGOUXESSD-UHFFFAOYSA-N 422.850 3.427 5 40 HGBB CCOc1ccc(/C=C2\SC(=O)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 408995487 JQUPICCCMLFPNU-WJDWOHSUSA-N 413.411 3.375 5 40 HGBB Cc1nn(CC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)c(C)c1[N+](=O)[O-] 3303279 KMXBHXKEMZJEDP-UHFFFAOYSA-N 405.410 3.405 5 40 HGBB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)c1 4120108 OOUSLRNVGOICHB-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB CCOC(=O)c1cc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1N1CCOCC1 4711561 URDBXHOOYURNCV-UHFFFAOYSA-N 413.430 3.169 5 40 HGBB COc1cc(C)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1OC 4901306 LDNSUMDFTCWKGU-UHFFFAOYSA-N 401.419 3.009 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2csc(-c3cccc(F)c3)n2)c1 5137713 QCFLZINPNSKRSJ-UHFFFAOYSA-N 407.448 3.378 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1CCN(C(=O)c2ccco2)CC1 10902363 RRCALQVHMXHKBH-UHFFFAOYSA-N 405.838 3.352 5 40 HGBB Cc1cc(NC(=O)[C@H](OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)no1 16116336 KSJSUEKCRIBLSK-LJQANCHMSA-N 424.413 3.494 5 40 HGBB O=C(Cc1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 40070923 UASJBFKBTYTIDJ-UHFFFAOYSA-N 421.375 3.141 5 40 HGBB Cc1cc(N[C@H]2CCN(C(=O)c3ccccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 79111732 KESAGBTYVINRLX-INIZCTEOSA-N 404.430 3.082 5 40 HGBB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C1=O 3596033 QQQMWWFNUJURGL-NRFANRHFSA-N 410.430 3.089 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 8777374 RMFMXIRGLSXBMP-UHFFFAOYSA-N 423.535 3.143 5 40 HGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@H](C)C[C@@H](C)C3)n2)c1 9287149 DFPJNFKYQFGQPW-VXGBXAGGSA-N 402.455 3.210 5 40 HGBB CCCc1cc(=O)[nH]c(SCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1 12555309 SVVQTZNPWOZIEJ-UHFFFAOYSA-N 416.381 3.380 5 40 HGBB O=C(CN1[C@@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] 100433767 WTMGHGRFNIIQDM-QZTJIDSGSA-N 423.473 3.350 5 40 HGBB COCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(OC)ccc21 100873144 BGGCCLRQECHYKU-PAYRZSJCSA-N 413.455 3.407 5 40 HGBB COc1cc(NC(=O)CSc2n[nH]c(COc3ccccc3)n2)ccc1[N+](=O)[O-] 408555258 WFSSGHUZHSELCT-UHFFFAOYSA-N 415.431 3.031 5 40 HGBB CCOC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 898378 ZRZFFVAKWKTLLS-IUODEOHRSA-N 406.464 3.076 5 40 HGBB C[C@H]1CCCN(c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2[N+](=O)[O-])C1 32995879 YMEWEXCLVRAVFZ-DOTOQJQBSA-N 411.458 3.401 5 40 HGBB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 8989925 LUVMCOXTJLSCEK-UHFFFAOYSA-N 404.342 3.489 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(NCCCOCC3CC3)c([N+](=O)[O-])c2)CC1 7366888 TZJAZBRVJKBPDC-UHFFFAOYSA-N 411.524 3.244 5 40 HGBB CCN1C(=O)[C@@](O)(CC(=O)c2ccccc2[N+](=O)[O-])c2cc(Br)ccc21 8921895 QRPNZBCGIQVIHK-GOSISDBHSA-N 419.231 3.184 5 40 HGBB CC[C@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513851 DOYPVDFWBSAOAP-GOSISDBHSA-N 405.476 3.395 5 40 HGBB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220032705 BJQNURBSHPFNFB-INIZCTEOSA-N 419.503 3.163 5 40 HGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccccc1C(=O)O 5899408 OJVAARWJKICHCB-SOFGYWHQSA-N 405.819 3.473 5 40 HGBB COc1ccc(-c2nnc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)s2)cc1 223592758 COKMRAJHIBTEFC-UHFFFAOYSA-N 416.415 3.148 5 40 HGBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3nc(C)c([N+](=O)[O-])c3C)nc12 13961066 XBVITKOPMLSHFE-UHFFFAOYSA-N 408.447 3.274 5 40 HGBB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 17090598 ARWPBLIFNSDKOQ-UHFFFAOYSA-N 416.459 3.036 5 40 HGBB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3C)co2)n1 4377287 QCBPOTQNFLFVSS-UHFFFAOYSA-N 413.411 3.466 5 40 HGBB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1C 5746056 QSTNGCMISWIUOU-SNVBAGLBSA-N 408.794 3.408 5 40 HGBB Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(Cn3cccn3)cc2)cc1[N+](=O)[O-] 12864558 MLVJOHIDVJPKOT-UHFFFAOYSA-N 420.878 3.280 5 40 HGBB COC(=O)c1cc(N2CCN(C(=O)c3cccc4ccccc34)CC2)ccc1[N+](=O)[O-] 29527593 QNBQHYKBUTXHEQ-UHFFFAOYSA-N 419.437 3.497 5 40 HGBB O=C(Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2)cc1)c1ccc([N+](=O)[O-])cc1 100570961 PRLPYKHNRWKELD-LSOMNZGLSA-N 404.378 3.126 5 40 HGBB CCOC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224766988 CXKQRNXHOALRIS-UHFFFAOYSA-N 406.460 3.224 5 40 HGBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC(C)C)c1 225652176 SFJIBGJUMDQECG-MRXNPFEDSA-N 413.474 3.088 5 40 HGBB CCOC(=O)C[C@@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1 4593582 XQLXHKALSNQUIX-QGZVFWFLSA-N 406.460 3.184 5 40 HGBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN(c2ccccn2)CC1 7184796 UKTNKSWUHROXEV-UHFFFAOYSA-N 415.500 3.040 5 40 HGBB Cc1nccn1-c1cc(CNC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)ccn1 48314858 XFGOWMVSLBLWLV-UHFFFAOYSA-N 420.473 3.017 5 40 HGBB COc1cccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)c1 72229561 GWUYVBGQRWQHMZ-UHFFFAOYSA-N 404.854 3.261 5 40 HGBB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 408657463 UGVHAPSLIODWGG-SFHVURJKSA-N 424.453 3.499 5 40 HGBB CCOc1ccc(NC(=O)N2CCC(NC(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 4888446 UDZKSCMCFGUABT-UHFFFAOYSA-N 412.446 3.420 5 40 HGBB CC(C)Cc1nnc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)s1 9778567 JMTPDAQBSUDWBA-UHFFFAOYSA-N 419.492 3.177 5 40 HGBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc([N+](=O)[O-])cc1 8435495 HXTZJQUAEYMNAR-UHFFFAOYSA-N 408.282 3.365 5 40 HGBB CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1898333 REMYJTVERZBCDJ-DENIHFKCSA-N 418.453 3.171 5 40 HGBB biogenic Cc1cccn2c(=O)c3cc(C(=O)NCc4ccco4)c(=N)n(C4CCCC4)c3nc12 100512788 QTCBPDCQKFDOSJ-UHFFFAOYSA-N 417.469 3.075 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 5149057 AWNCKJYGWHRAPA-HNAYVOBHSA-N 406.394 3.425 5 40 HGBB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 7813594 DQNOROMQHHGMKD-HUUCEWRRSA-N 400.431 3.286 5 40 HGBB O=c1c2cc([N+](=O)[O-])c(Cl)cc2ncn1C[C@H](O)COc1ccc(Cl)cc1 24969063 YHONXHJXARBCJY-NSHDSACASA-N 410.213 3.051 5 40 HGBB COc1ccc(C(=O)Nc2c(C)cc([N+](=O)[O-])cc2C)cc1S(=O)(=O)NC(C)C 79015488 ANSWOEIDRNVPHH-UHFFFAOYSA-N 421.475 3.159 5 40 HGBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 205777973 JFBOHRQDPUXTPJ-MHWRWJLKSA-N 415.427 3.373 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2cccc(CN3CCCCC3)c2)cc1[N+](=O)[O-] 224664221 MDRQSXICTPVDAH-UHFFFAOYSA-N 403.504 3.368 5 40 HGBB COc1cc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])ccc1-c1ccc(C(=O)O)o1 226352834 SQDGDKIJOTZJFA-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB Cc1ccc(CNC(=O)CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3)C2=O)cc1 409217484 WAHMVTIKRIABHT-YVLHZVERSA-N 411.439 3.256 5 40 HGBB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3307509 GPTPCFBJWYUEDA-UHFFFAOYSA-N 406.416 3.455 5 40 HGBB COc1ccc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1Br 6275157 NTANIANSSNUCLH-UHFFFAOYSA-N 410.249 3.493 5 40 HGBB O=C(CSc1ccc(-c2cccc([N+](=O)[O-])c2)nn1)NCc1ccc2c(c1)OCO2 12140462 RZXZFOIVHGBRGC-UHFFFAOYSA-N 424.438 3.189 5 40 HGBB CCN(CC(=O)Nc1ccc(OC)cc1)CC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 32654918 DGFZGAUIHHAEPX-UHFFFAOYSA-N 420.853 3.156 5 40 HGBB O=C(NC1CCN(C(=O)c2ccccc2F)CC1)c1cc([N+](=O)[O-])ccc1Cl 40106923 GNWVYOXPQGDACM-UHFFFAOYSA-N 405.813 3.422 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 4207932 LXJDECQUUSHPCJ-QXUMQBBKSA-N 406.394 3.350 5 40 HGBB CSCC[C@@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O 9120253 VFKMQLGMCQZDNA-CYBMUJFWSA-N 423.878 3.444 5 40 HGBB O=C(NCCN1C(=O)S/C(=C/c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)c1ccco1 96600725 TZIAACPDXRZBFE-NTEUORMPSA-N 421.818 3.308 5 40 HGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408683966 MOHVKDCNMLZBGZ-HKUYNNGSSA-N 419.437 3.494 5 40 HGBB CC[C@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35290768 FUDROOVZSIPEQJ-OAQYLSRUSA-N 421.505 3.097 5 40 HGBB Cc1cc(C)c(S(=O)(=O)N(C)CC(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 16267534 KFMMVQSKOSCTOC-UHFFFAOYSA-N 405.476 3.088 5 40 HGBB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 30497249 SIPAFAALBRUSAU-MRXNPFEDSA-N 422.459 3.146 5 40 HGBB CN(C)c1ccc(C(=S)N2CCN(C(=S)c3cccc([N+](=O)[O-])c3)CC2)cc1 2700470 GYGRWXPWFAXWCB-UHFFFAOYSA-N 414.556 3.330 5 40 HGBB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1cccc([N+](=O)[O-])c1 5259346 JONBLALZKWPMLD-UHFFFAOYSA-N 405.414 3.141 5 40 HGBB C[C@H]1Cc2ccccc2N1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 7360063 UMTACBVLSFXPEY-HNNXBMFYSA-N 414.893 3.348 5 40 HGBB Cc1cc(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)c([N+](=O)[O-])cc1C 12515950 YXHRFWPRFHSURK-UHFFFAOYSA-N 412.490 3.119 5 40 HGBB CC(C)C[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])N(C)C 12545910 KEVBCOXWCNOPOM-INIZCTEOSA-N 412.556 3.158 5 40 HGBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(Cl)cc1 39985461 QQVYRMZHIOATSG-UHFFFAOYSA-N 411.867 3.206 5 40 HGBB COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036360 ZZNFWHNKLFDQIG-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC 408588791 YVGPZMDIINSERV-UHFFFAOYSA-N 409.420 3.281 5 40 HGBB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409068193 SZXUZEUQNDOSPL-QNKACBJSSA-N 402.384 3.453 5 40 HGBB O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 4677270 FBIXWOGNWFZOKV-UHFFFAOYSA-N 406.847 3.475 5 40 HGBB O=C1/C(=C/NCc2ccccn2)c2ccccc2C(=O)N1c1ccccc1[N+](=O)[O-] 6923462 GNFSWFNGNVDOII-NBVRZTHBSA-N 400.394 3.308 5 40 HGBB O=C(COC(=O)CCOc1ccccc1)Nc1ccc([N+](=O)[O-])cc1Br 12555791 XQFPKYBHHCHSPF-UHFFFAOYSA-N 423.219 3.308 5 40 HGBB Cc1ccccc1OCc1ccc(C(=O)NCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 408563737 WYEKPYOVCNOXBD-UHFFFAOYSA-N 409.398 3.444 5 40 HGBB COc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OC 409368503 ZIJMGDCPECSNEP-UHFFFAOYSA-N 424.203 3.414 5 40 HGBB O=C(O)C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 9882911 QIUWUCCIXSFRCL-CYBMUJFWSA-N 419.242 3.396 5 40 HGBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])c2cccnc12 12526860 BFUYSOUNIWYNDC-CQSZACIVSA-N 419.441 3.343 5 40 HGBB COc1ccc(C(=O)N2CCN(C(=O)c3ccc(C(C)C)cc3)CC2)cc1[N+](=O)[O-] 12823881 NQHOYUNGOUPCQK-UHFFFAOYSA-N 411.458 3.325 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220648679 UHXCZMCCBNLXSS-QGZVFWFLSA-N 421.475 3.095 5 40 HGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 224787050 FATPINHHIBEXHD-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(-c3ccccc3F)n2)cc1 6810063 LSTBUMDZLVAASJ-UHFFFAOYSA-N 408.349 3.286 5 40 HGBB CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])ccc1Cl 40114704 VWVHWFQLQCLAOX-HOCLYGCPSA-N 423.878 3.159 5 40 HGBB O=C(OCc1ccccc1[N+](=O)[O-])[C@H]1CN(C(=O)c2ccco2)c2ccccc2O1 40151880 IHFGYFVBSZGAKX-LJQANCHMSA-N 408.366 3.339 5 40 HGBB O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(C[C@@H]2CCOC2)CC1 79018943 BOALBZXMKKCWMT-KRWDZBQOSA-N 411.458 3.181 5 40 HGBB CC[C@H](C)n1c(=N)c(C(=O)NC2CCCCC2)cc2c(=O)n3cc(C)ccc3nc21 100811537 DRELNQRDQADLEH-HNNXBMFYSA-N 407.518 3.471 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 220423490 LDNVBOIYZCAQQL-CVEARBPZSA-N 419.503 3.244 5 40 HGBB COc1ccc(-c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)nn1 5204248 PEZIAHZIWLZHQU-UHFFFAOYSA-N 400.416 3.170 5 40 HGBB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc([N+](=O)[O-])cc1 6287161 NVQWTNJTKLKCQB-UHFFFAOYSA-N 403.460 3.412 5 40 HGBB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 15881987 YBLUHLBFAMBSDK-SFHVURJKSA-N 418.402 3.272 5 40 HGBB Cc1c(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cnn1-c1cccc(Cl)c1 24562367 PHCJSYAINZHZMF-SFHVURJKSA-N 400.822 3.206 5 40 HGBB COc1ccc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl 408569429 WTRRYCKQJQRFBX-SFFNPBHPSA-N 413.861 3.403 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408682140 JAINSYHYUMBMNJ-CALCHBBNSA-N 405.410 3.103 5 40 HGBB O=C(O)c1cccc(N2C(=O)c3ccc(C(=O)c4ccc([N+](=O)[O-])cc4)cc3C2=O)c1 3146362 RNLDNQYMLFJDKB-UHFFFAOYSA-N 416.345 3.325 5 40 HGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(C(=O)O)cc1 6615243 QFEQIPGWCLLFEH-KRXBUXKQSA-N 405.819 3.473 5 40 HGBB COc1ccccc1[C@H]1OC(=O)C[C@@H]1C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 9044885 HWQOIKLWBXMRDS-MISFVKPISA-N 402.511 3.252 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1C(=S)N=C(S)/C1=C\c1ccc2c(c1)OCO2 3065074 BEGJYVVEHSYMOB-NTUHNPAUSA-N 413.436 3.434 5 40 HGBB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 3370206 YEDMSBVTTISRLY-IBGZPJMESA-N 417.805 3.082 5 40 HGBB CCOC(=O)Cc1csc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 5525558 WDLMPDBFBMRYMJ-UHFFFAOYSA-N 418.475 3.400 5 40 HGBB CCOC(=O)Cc1csc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1 9284695 MQDPUVZMWCSUGG-UHFFFAOYSA-N 406.445 3.499 5 40 HGBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])cc1Cl 10810131 ZYASREIDPDODMD-GFCCVEGCSA-N 402.838 3.448 5 40 HGBB O=C(O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 15133478 ULKHICZTGYOSCK-UHFFFAOYSA-N 407.294 3.155 5 40 HGBB Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12 20609600 UEUFTLRPNJURNZ-UHFFFAOYSA-N 410.415 3.087 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N1CCN(C(=O)c2cc3ccccc3o2)CC1 40095047 FYZKEKKDCUSQHY-UHFFFAOYSA-N 424.413 3.340 5 40 HGBB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 147179518 AWGZINKBRFOXMO-ZDUSSCGKSA-N 401.419 3.149 5 40 HGBB O=c1[nH]c(/C=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 7098729 HFLSWMCSSDFNQT-JXMROGBWSA-N 406.373 3.284 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 8413893 OGPYIOPZULKBOM-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)nn1 9627022 KDJSZGPIPROSOJ-UHFFFAOYSA-N 412.427 3.098 5 40 HGBB COc1ccc(CC(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1 12293821 JFPGOHXRAGLURA-UHFFFAOYSA-N 424.276 3.422 5 40 HGBB CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222587522 CJVVURZPAXFYSW-CQSZACIVSA-N 419.478 3.130 5 40 HGBB O=C(O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036754 QELDDMVVJCIQSE-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB COc1ccc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1OC 408969199 IYMKSYHGJPOJEQ-UHFFFAOYSA-N 413.430 3.103 5 40 HGBB CCn1nccc1[C@@H](C)NC(=O)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809213 IALOQKQWBIXALZ-GFCCVEGCSA-N 402.842 3.200 5 40 HGBB CCOC(=O)c1[nH]c2c([N+](=O)[O-])cc(C)cc2c1CCN1C(=O)c2ccccc2C1=O 3131081 UEBSZAYVZTZFFM-UHFFFAOYSA-N 421.409 3.400 5 40 HGBB CCOc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 4714858 FXYGRWNJAXDZQM-AWEZNQCLSA-N 421.475 3.095 5 40 HGBB Cc1cc(C)n(CCCNc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])n1 6651432 WAOSMIMRDRXNSH-UHFFFAOYSA-N 421.523 3.085 5 40 HGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(CCc1ccccc1)[C@H]1CCS(=O)(=O)C1 10212911 CTAFTUPPRKGDIX-INIZCTEOSA-N 422.890 3.120 5 40 HGBB COc1cc(OCC(=O)NCCOc2ccccc2C(C)(C)C)ccc1[N+](=O)[O-] 223720555 XRNSCCZKDOIXHX-UHFFFAOYSA-N 402.447 3.475 5 40 HGBB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)cc1[N+](=O)[O-] 223762812 KNUJGXLOSKHUDT-UHFFFAOYSA-N 422.850 3.427 5 40 HGBB O=C(Cc1cccs1)N[C@H]1CCCC[C@]12CN(Cc1ccc([N+](=O)[O-])o1)CCO2 306129873 IPFWVSZVAQDAFU-PXNSSMCTSA-N 419.503 3.122 5 40 HGBB O=C(Nc1ccc2c(c1)OCCO2)c1cnn2c(-c3cccc([N+](=O)[O-])c3)ccnc12 2798199 IKCZWXJAXYOSGF-UHFFFAOYSA-N 417.381 3.328 5 40 HGBB Cc1ccn(C(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)/c(=N/C2CCCCC2)c1 23198817 OYZHNSJENDRUPS-ZNTNEXAZSA-N 424.501 3.463 5 40 HGBB CNS(=O)(=O)c1ccc(Sc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 12506386 IXJDESMJXGAMKD-UHFFFAOYSA-N 414.415 3.399 5 40 HGBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O 9433934 WAKKQIBHJFCIGR-AVRDEDQJSA-N 422.441 3.025 5 40 HGBB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409105351 MZEVQVTUTFUIOB-QNKACBJSSA-N 402.384 3.453 5 40 HGBB C[C@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl 9398236 OODMAFMAAHESMV-VIFPVBQESA-N 422.224 3.375 5 40 HGBB Nc1nc(NC2CCCCC2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54147615 YDKHMWLTXFEPEH-UHFFFAOYSA-N 411.510 3.034 5 40 HGBB CC(=O)c1ccc(OCCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 24201720 JNISCARNELKYJT-UHFFFAOYSA-N 401.371 3.176 5 40 HGBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4855154 SAINDXDOCGTTEJ-QGZVFWFLSA-N 410.473 3.048 5 40 HGBB C[C@@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 5844427 HAXMACJZQILGBB-KRWDZBQOSA-N 404.220 3.325 5 40 HGBB Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 15993864 GGNUPWHQAWPOAY-UHFFFAOYSA-N 421.457 3.377 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 5135920 VVSFMMKDNXZZCT-UHFFFAOYSA-N 419.459 3.094 5 40 HGBB CN(C)[C@H](CNC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1 5688028 FXIFBVGSCYGBRD-QGZVFWFLSA-N 410.396 3.445 5 40 HGBB O=C1NC(=O)/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1 9311701 QRRYDVMXAAMZPU-ZSOIEALJSA-N 418.203 3.117 5 40 HGBB COc1cccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 17227470 MKQBJKLRVXXQDH-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB CCN(Cc1ccccc1[N+](=O)[O-])Cn1nc2n(C)c(=O)c3ccccc3n2c1=S 32926887 JDNLIQCVGJIHLC-UHFFFAOYSA-N 424.486 3.105 5 40 HGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 79103110 PDTOEYGEHVWAAP-UHFFFAOYSA-N 404.404 3.228 5 40 HGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccccc3Cl)CC2)c([N+](=O)[O-])c1 408576887 YOBIGDOFIYAHGM-UHFFFAOYSA-N 417.849 3.387 5 40 HGBB CC(C)C[C@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCC1 12562686 HVYZBZNUTJEKMI-MRXNPFEDSA-N 412.556 3.204 5 40 HGBB O=C1CC[C@@]2(C(=O)NCc3ccc([N+](=O)[O-])cc3)Sc3ccc(Cl)cc3N12 65623662 FRYJGVNQDXFXQW-SFHVURJKSA-N 403.847 3.493 5 40 HGBB CC(C)(C)NS(=O)(=O)c1ccc(Oc2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])c1 14200455 DIGBJLLBENLJRD-UHFFFAOYSA-N 419.459 3.349 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22392867 VDHZYMDMGXKEPW-UHFFFAOYSA-N 405.476 3.431 5 40 HGBB O=C(O[C@@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 6841633 IQKBUNGXVGOUFW-QGZVFWFLSA-N 404.806 3.005 5 40 HGBB CSc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1[N+](=O)[O-] 15638862 YIYFMLQOFJPDAX-AWEZNQCLSA-N 415.471 3.478 5 40 HGBB COC(=O)CCN(C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)c1ccccn1 4140066 XLXZMRXGPUJSST-UHFFFAOYSA-N 412.446 3.190 5 40 HGBB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1C 8414332 FPGUGLKXTZCBQH-UHFFFAOYSA-N 413.430 3.421 5 40 HGBB COCCCN1C(=O)c2ccc(C(=O)O[C@H](C)c3cccc([N+](=O)[O-])c3)cc2C1=O 25723125 ZLXOSJDITCOOLW-CYBMUJFWSA-N 412.398 3.145 5 40 HGBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)C(F)(F)F)cc1 39752410 XGQZUZSNHSTRMR-UHFFFAOYSA-N 421.291 3.398 5 40 HGBB CCOc1cc2c(cc1CNC(=O)CCn1ncc3ccc([N+](=O)[O-])cc31)O[C@@H](C)C2 40115475 SMGXQJCLEWCIMH-AWEZNQCLSA-N 424.457 3.373 5 40 HGBB CCOC(=O)C1=C(C)Nc2nc(SC)nc(O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 44973716 FEPXGVASYPDMMW-CYBMUJFWSA-N 402.432 3.207 5 40 HGBB CCOC(=O)c1cc(C(=O)N2CCCc3c(C(=O)OC)cccc32)cc([N+](=O)[O-])c1 25192214 LKIMVXSKLJITMX-UHFFFAOYSA-N 412.398 3.151 5 40 HGBB CCOc1cc2c(cc1NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)O[C@H](C)C2 26886278 LCHXMZDRNWYIBY-CYBMUJFWSA-N 413.430 3.076 5 40 HGBB O=C(NC1CCCCC1)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 4551089 CDWOQYBFMWFVAI-SFHVURJKSA-N 417.849 3.283 5 40 HGBB CC(C)Cc1nnc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2Br)s1 89856622 BTVJSNGQOLZVIW-UHFFFAOYSA-N 421.298 3.208 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1N(CCO)C(=O)c1ccccc1)c1ccccc1 16476788 PENMXTURUDICTE-UHFFFAOYSA-N 405.410 3.486 5 40 HGBB CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)CC1 17087924 AHLSMIYDSYGSLG-IZZDOVSWSA-N 408.458 3.305 5 40 HGBB O=C(NC(=S)Nc1ccc(Cl)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17092464 WFKTZDVYXPNQAH-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2nc3ccccc3n2C(F)F)C1=O 12544633 QLECMRKXHNUWMT-IBGZPJMESA-N 415.356 3.307 5 40 HGBB CN(c1ccccc1)c1nc(N)c([N+](=O)[O-])c(N2CCN(Cc3ccccc3)CC2)n1 57456745 LZBVJJGEAYVPBP-UHFFFAOYSA-N 419.489 3.057 5 40 HGBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 25434283 YBUOKAMDVOXDPZ-UHFFFAOYSA-N 418.287 3.460 5 40 HGBB O=C(CSc1nnc(-c2ccccn2)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1 28047752 NLSHKRLXPJEMCG-UHFFFAOYSA-N 421.442 3.092 5 40 HGBB CSc1ccc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cc1[N+](=O)[O-] 12996235 AOWGNYMARWYQPI-UHFFFAOYSA-N 401.488 3.079 5 40 HGBB Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1-c1nccs1 6652941 VDNQBVGPOCUNCJ-UHFFFAOYSA-N 409.427 3.052 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-] 13387810 FEKBOEQCYYDCIZ-MRXNPFEDSA-N 409.445 3.248 5 40 HGBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142709 SLJDOEFHICMHLJ-UHFFFAOYSA-N 423.425 3.436 5 40 HGBB Cc1c(NC(=O)CN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 22393059 HMECLZJBVUFCBI-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(OCc2cccc([N+](=O)[O-])c2C)c([N+](=O)[O-])c1 40122908 GWELHSROSIXURJ-UHFFFAOYSA-N 423.447 3.421 5 40 HGBB C[C@H](C(=O)N(C)c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57619593 QJJMRQZQDPEDKN-QGZVFWFLSA-N 419.485 3.317 5 40 HGBB O=C(O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 215027408 LOFMFWATVGELIV-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518687 JOFZSVQUSGKOLX-KDOFPFPSSA-N 405.476 3.017 5 40 HGBB CC(=O)N1CCCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 223848288 LSMQWSUNCSRTNK-UHFFFAOYSA-N 409.851 3.348 5 40 HGBB CCOC(=O)c1c(CC(C)C)csc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])o1 3510391 AFMAGBUBIRRHHO-UHFFFAOYSA-N 424.431 3.420 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 32901054 KIOWGXXDQGYUSC-CYBMUJFWSA-N 405.838 3.352 5 40 HGBB CCOc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 9963851 SVOKHWDNKCATGW-LBPRGKRZSA-N 414.447 3.089 5 40 HGBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc2c1CCC2 8427587 VXKKEHYLMGEDSO-UHFFFAOYSA-N 418.427 3.117 5 40 HGBB Cc1ccc(C)c([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 22374748 JCEZHLQATPGGEW-INIZCTEOSA-N 419.503 3.163 5 40 HGBB O=C1N/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(Br)cc1 111505558 WYPRRTBIKAGWIO-OQLLNIDSSA-N 402.204 3.450 5 40 HGBB CC[C@@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222535043 GGQPXBOKKFCSIY-INIZCTEOSA-N 413.540 3.245 5 40 HGBB CN(c1ccc2sc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2c1)S(C)(=O)=O 223073092 VARZXCCDHWIPTD-UHFFFAOYSA-N 405.457 3.458 5 40 HGBB COCCOc1ncc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C 225872795 ZAUBYSWYNRKZJU-UHFFFAOYSA-N 415.446 3.010 5 40 HGBB C[C@H](CNc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])Cn1ccnc1 40139247 KKRUHLUAZPTAGV-MRXNPFEDSA-N 421.523 3.104 5 40 HGBB CS(=O)(=O)N1CCCc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)ccc21 5375386 FSEHSWBWVVJEAP-UHFFFAOYSA-N 409.851 3.213 5 40 HGBB O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C/c1ccc([N+](=O)[O-])o1 4607878 YDNKNLRLWFNANL-NBVRZTHBSA-N 407.430 3.237 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(NCCc3ccccn3)c([N+](=O)[O-])c2)CC1 8149255 NTYRIEKSRVUEAT-UHFFFAOYSA-N 404.492 3.065 5 40 HGBB COC(=O)c1cc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cc([N+](=O)[O-])c1 12977235 RYGGWRHMYGHNIS-SFHVURJKSA-N 400.387 3.192 5 40 HGBB COc1ccc(-n2cccc2/C=C2/NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 16226424 WUSCZFOKVXYIFL-DEDYPNTBSA-N 418.409 3.487 5 40 HGBB O=C(CCCc1ncc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 48340983 UEFSCNOQUMSESJ-UHFFFAOYSA-N 421.457 3.316 5 40 HGBB O=C(CN1C(=O)[C@H]2CCCC[C@@H]2C1=O)OCc1cc(=O)oc2ccc3ccccc3c12 102271335 TZUCACZSFJNRSM-ROUUACIJSA-N 419.433 3.165 5 40 HGBB O=C(O)COc1ccc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 9232918 NDZGLNBCPLATHY-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@@H](C)O1 12903374 BKVLFKLBMWTXMY-NUPWCOBBSA-N 409.442 3.496 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCC[C@H]1c1ccsc1 40153685 HPYNWLLLTBYXHG-INIZCTEOSA-N 423.516 3.019 5 40 HGBB Cc1cc(C)cc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222683817 NLVVNGZTDLDEKG-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB CCOc1ccc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC 408571606 PEWPRFNQDGBTON-KUBZRAOGSA-N 411.458 3.052 5 40 HGBB COc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1OC 4120657 GKNAWOYBJJMKEY-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccc([N+](=O)[O-])cc1 4939913 GEXXYRFUWYWVDJ-UHFFFAOYSA-N 405.414 3.141 5 40 HGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)OCC(=O)NCCc1ccc(F)cc1 5701750 CMAZSODRBACEEO-UHFFFAOYSA-N 417.437 3.096 5 40 HGBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1nnc2ccccn12 31503475 BXOQHMYNNKSDKU-IBGZPJMESA-N 420.473 3.218 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1)S(C)(=O)=O 260588491 KCGSHTXKDHTCCN-KGLIPLIRSA-N 423.466 3.074 5 40 HGBB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCC2 408613811 YHHPSXGLELLSIB-UHFFFAOYSA-N 410.473 3.431 5 40 HGBB COc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 408627559 LRHLKIRPWXHUND-UHFFFAOYSA-N 400.460 3.330 5 40 HGBB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 7881675 PBGIHPULAAXAFD-NVXWUHKLSA-N 410.426 3.379 5 40 HGBB O=C(Oc1cccc(NC2=NS(=O)(=O)c3ccccc32)c1)c1cccc([N+](=O)[O-])c1 666723 KMIPCBLKIQOWES-UHFFFAOYSA-N 423.406 3.375 5 40 HGBB O=C(NCc1ccccc1CN1CCCCC1)c1cc2c(cc1[N+](=O)[O-])OCCO2 10282017 DFYQIPUYHUPEQQ-UHFFFAOYSA-N 411.458 3.282 5 40 HGBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)C1(c2ccc(Br)cc2)CC1 36741020 XCORCVFZXKCNKN-MRXNPFEDSA-N 405.248 3.239 5 40 HGBB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 4742034 NSPSVPODBQLNMY-LJQANCHMSA-N 408.414 3.423 5 40 HGBB Cc1cc(=O)oc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)ccc12 5694396 BJECJOFOKUWXRA-UHFFFAOYSA-N 409.398 3.099 5 40 HGBB Cc1ccc(C)c(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 408705366 DCRGMLHYHBUEBF-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB Cc1cc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 15534240 NIDXUDVYIWVYCO-UHFFFAOYSA-N 404.810 3.427 5 40 HGBB O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1C[C@@H]1CCCO1 2250255 WKCNIEGXWSEABO-AWEZNQCLSA-N 401.426 3.115 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(OC(C)C)c1)S(C)(=O)=O 220107096 UAKZPMPRWNJFTM-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395609 SQCMYQLCWQDXMB-HZPDHXFCSA-N 419.503 3.244 5 40 HGBB Cc1ccccc1-c1noc(CN(C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)n1 223582007 DKOKQCOJCCNQDU-UHFFFAOYSA-N 402.432 3.082 5 40 HGBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(I)cc1 409180935 VDGHSWZFGPAKKR-UHFFFAOYSA-N 415.212 3.325 5 40 HGBB Cc1c(NC(=O)CCN2CCC[C@@H](c3nnc4ccccn34)C2)cccc1[N+](=O)[O-] 84041665 HPGGSPIVNDUCAM-MRXNPFEDSA-N 408.462 3.154 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCn1cnc2sccc2c1=O 9867050 QKUNGXLKWSKBNA-UHFFFAOYSA-N 406.851 3.068 5 40 HGBB COc1cc(/C=C\c2onc(C)c2[N+](=O)[O-])cc(I)c1O 408544939 WFKYAMLECVWFPV-ARJAWSKDSA-N 402.144 3.380 5 40 HGBB O=C(CSc1nnc(-c2ccco2)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1 9707866 NDTGFUUFICWLJE-UHFFFAOYSA-N 410.415 3.290 5 40 HGBB CCN(c1ccc(NC(=O)COC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1)C(C)C 4869464 DQJQGNOWDRIGFV-UHFFFAOYSA-N 400.435 3.207 5 40 HGBB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225014709 VUFQDSCFYSJHOQ-UHFFFAOYSA-N 422.459 3.140 5 40 HGBB COc1ccccc1CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 25424679 SECFRTDZFVNRAB-SFHVURJKSA-N 419.865 3.328 5 40 HGBB Cc1nn(CN2CCN(Cc3ccc(Cl)s3)CC2)c2ncc([N+](=O)[O-])cc12 72312374 OPGLQFZVDPVZEC-UHFFFAOYSA-N 406.899 3.138 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1195658862 FPSSGRDRJBAVHA-HZPDHXFCSA-N 406.483 3.123 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 5253148 WPHMIGQURFEFIM-HNAYVOBHSA-N 406.394 3.425 5 40 HGBB CCC[C@H](C)NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 6324921 MHPSJQXEBQOMPM-HNNXBMFYSA-N 405.476 3.095 5 40 HGBB CCn1ncc(-c2ccnc3cc(C(=O)Nc4ccc([N+](=O)[O-])cc4C)nn23)c1C 6634512 LCCRSADJLJZCKH-UHFFFAOYSA-N 405.418 3.390 5 40 HGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)c1ccc(Cl)cc1 7881654 XCEASQRPWJDVTJ-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1NCCCN1CCCCCC1 12545242 VKNIHMWHVBHENZ-UHFFFAOYSA-N 410.540 3.057 5 40 HGBB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc1[N+](=O)[O-] 17091403 WAVFOAJLRBTZIX-UHFFFAOYSA-N 418.456 3.436 5 40 HGBB COc1cc(C(=O)NCC(C)(C)N2CCc3ccccc3C2)c([N+](=O)[O-])cc1OC 25459547 KDGKQVIKUZGPRZ-UHFFFAOYSA-N 413.474 3.179 5 40 HGBB Cc1c(C(=O)NCCN2C(=O)S/C(=C/c3ccccc3)C2=O)cccc1[N+](=O)[O-] 34861931 JVXPEFRPGOYLQC-SFQUDFHCSA-N 411.439 3.370 5 40 HGBB CSc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220067124 IIPRHCORESBOGR-UHFFFAOYSA-N 409.489 3.030 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(O)c2c(C)csc2n1 408597870 VDGKOAPCIBAMLY-UHFFFAOYSA-N 406.445 3.353 5 40 HGBB Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1cccc([N+](=O)[O-])c1 409130670 XGCGKOGAENLMBF-UHFFFAOYSA-N 414.403 3.029 5 40 HGBB C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 13040290 UDFPJKOEGFTGHH-HNNXBMFYSA-N 402.882 3.248 5 40 HGBB O=C(COC(=O)c1cccc(I)c1)c1cccc([N+](=O)[O-])c1 3663267 BABNAADJYNEYSG-UHFFFAOYSA-N 411.151 3.239 5 40 HGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384651 YNOBNOHSGZEQNU-UHFFFAOYSA-N 414.296 3.077 5 40 HGBB Cc1cccc(C(=O)N2CCC(C(=O)N3CCc4ccccc4C3)CC2)c1[N+](=O)[O-] 26095822 KIBHHYKXLUIACE-UHFFFAOYSA-N 407.470 3.340 5 40 HGBB Cc1ccc([C@H](CNc2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])N2CCOCC2)o1 32863491 GYSBEHCBHMBTFI-IBGZPJMESA-N 416.478 3.120 5 40 HGBB COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c([N+](=O)[O-])cc1OC(F)F 40023491 NCCVIBZIHIRZOE-QMMMGPOBSA-N 423.328 3.177 5 40 HGBB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 3239938 GEVGVSOHDWPZKV-UHFFFAOYSA-N 414.201 3.288 5 40 HGBB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccc(C)cc23)c([N+](=O)[O-])c1 13389640 XVRZRBVEYBZVRS-UHFFFAOYSA-N 424.442 3.462 5 40 HGBB CCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3cccc(C)c3nc21 100861133 IEGLSENKQTUUKB-UHFFFAOYSA-N 415.497 3.086 5 40 HGBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409096129 FLBKWUIMQMECGX-CNOAHFENSA-N 402.384 3.453 5 40 HGBB O=C(COC(=O)c1cccc([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 3293590 YLXFSAPJHSQABA-UHFFFAOYSA-N 403.700 3.458 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 6271610 BNRRIDPJLYIGCA-MDWZMJQESA-N 403.460 3.277 5 40 HGBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)cccc1[N+](=O)[O-] 7956679 ZFHMAFQSSSGICF-CYBMUJFWSA-N 409.489 3.004 5 40 HGBB O=C(CNC(=O)c1ccccc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041863 CUQBZORBBMBPGC-QFIPXVFZSA-N 418.405 3.492 5 40 HGBB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 12769412 RPHMMTWLGNIWMY-UHFFFAOYSA-N 402.882 3.395 5 40 HGBB Cc1cc(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c([N+](=O)[O-])cc1C 15524328 BNPOSSWDXSPZHW-UHFFFAOYSA-N 424.501 3.179 5 40 HGBB CCOc1cc(OCC)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2N2CCOCC2)c1 20611728 PSAYADZEQDGSRZ-UHFFFAOYSA-N 415.446 3.481 5 40 HGBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(CCc2ccccc2)CC1 28791305 IVMBCAISGCFWRC-UHFFFAOYSA-N 422.529 3.198 5 40 HGBB CCOc1cc(CNC(=O)c2cccn3c(=O)c4ccccc4nc23)ccc1OC 51317293 HUQOEEWDRWELPT-UHFFFAOYSA-N 403.438 3.185 5 40 HGBB COCCCn1c(=N)c(-c2nc3ccccc3s2)cc2c(=O)n3ccccc3nc21 101156782 FFDVDRAVPRXGPN-UHFFFAOYSA-N 417.494 3.442 5 40 HGBB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224762468 WSNWBXYJCCXSCY-UHFFFAOYSA-N 400.840 3.481 5 40 HGBB CCn1c(S[C@@H](C)c2cccc([N+](=O)[O-])c2)nc2cc(S(N)(=O)=O)ccc21 7177663 MHCVFGZVORYNIF-NSHDSACASA-N 406.489 3.465 5 40 HGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(O)cc2)CC1 58160403 WPDMFZCUBMKEQO-ZDUSSCGKSA-N 404.854 3.103 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1 12972589 HUHKCRLDSOVPPK-UHFFFAOYSA-N 411.365 3.496 5 40 HGBB O=C1C[C@H](NCCc2c[nH]c3ccc(Cl)cc23)C(=O)N1c1ccc([N+](=O)[O-])cc1 18240746 DSCPAFUZLWHFBF-SFHVURJKSA-N 412.833 3.194 5 40 HGBB COC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 13722444 KQAXMRBHKMYFOY-INIZCTEOSA-N 413.382 3.218 5 40 HGBB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 7813595 DQNOROMQHHGMKD-GJZGRUSLSA-N 400.431 3.286 5 40 HGBB CCn1c(SCC(=O)Nc2ncc(C)s2)nnc1-c1cccc([N+](=O)[O-])c1 409146797 KURCKDANXKCBPJ-UHFFFAOYSA-N 404.477 3.369 5 40 HGBB Cc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 220361998 MYGPJJQAMLPIMP-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)c1 223772167 LHZWQYLBQMOLDK-UHFFFAOYSA-N 402.432 3.082 5 40 HGBB CN1CCN(c2nc3ccc(NC(=O)c4ccc([N+](=O)[O-])s4)cc3s2)CC1 23135821 GSCNOYYHADHZDA-UHFFFAOYSA-N 403.489 3.270 5 40 HGBB CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 7759030 MWHSCCFWVVVQSC-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB CC1CCN(c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2[N+](=O)[O-])CC1 8189496 QFXVKJVOTJWJNV-QGZVFWFLSA-N 411.458 3.401 5 40 HGBB CCOc1ccc(NC2=N[C@H](c3cccc([N+](=O)[O-])c3)n3c(nc(C)cc3=O)N2)cc1 101981804 LLCMTFDYVCIJCC-IBGZPJMESA-N 420.429 3.299 5 40 HGBB O=C(COC(=O)c1ccc(OC[C@H]2CCCO2)cc1)Nc1ccc(F)cc1[N+](=O)[O-] 4988078 DFRLFODWOFUVQU-MRXNPFEDSA-N 418.377 3.087 5 40 HGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9544368 GQFVFYXTZILMLT-UHFFFAOYSA-N 400.822 3.369 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1c(F)c(F)c(F)c(F)c1F 20611725 IHMXEHZCUIRPQS-UHFFFAOYSA-N 417.290 3.379 5 40 HGBB CCc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 17089888 VHVRYFYPFYEQDH-UHFFFAOYSA-N 414.487 3.121 5 40 HGBB COc1ccc([C@H](CNc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])N2CCCC2)cc1 5689678 HYQMGJHJXJARKC-FQEVSTJZSA-N 419.503 3.256 5 40 HGBB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1cccc([N+](=O)[O-])c1 6784216 AYQGDHDSQJWDFT-GOSISDBHSA-N 412.471 3.425 5 40 HGBB NC(=O)c1c(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCC2 16385773 GGVCYJPJDUDNHD-UHFFFAOYSA-N 424.891 3.024 5 40 HGBB CC(C)NC(=O)c1ccc(NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 32869558 CGSOQCWUZCULIS-GOSISDBHSA-N 418.519 3.280 5 40 HGBB CC[C@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513256 OXHAMKKKDOOYCP-GOSISDBHSA-N 405.476 3.395 5 40 HGBB COc1ccc(S(=O)(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC 32869636 TUNMWSADQLWRFP-UHFFFAOYSA-N 400.840 3.086 5 40 HGBB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223154397 HZXFWFZSZDWRIN-QGZVFWFLSA-N 403.866 3.344 5 40 HGBB CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 223761397 UKBFSXYRXCAETJ-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB N=c1c(C(=O)NC2CCCCC2)cc2c(=O)n3ccccc3nc2n1C1CCCC1 100560194 QKLASGDQCHUAJT-UHFFFAOYSA-N 405.502 3.306 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Br)o1 3228669 VMTQYUXQZHPXJO-QMMMGPOBSA-N 413.180 3.143 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])cc2)N3)C1 4524989 HKLSMQSGRDVJLY-OAHLLOKOSA-N 402.432 3.025 5 40 HGBB COc1ccc2c(c1)[nH]c1c(N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ncnc12 5183777 MRLQJCYFPWQTJI-UHFFFAOYSA-N 404.430 3.355 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(NCCCNC2CCCCC2)c([N+](=O)[O-])c1 12536549 LWIVQNSXAUCQRR-UHFFFAOYSA-N 412.556 3.350 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1cc([N+](=O)[O-])ccc1O 16921495 OPVSMLQBOOBLRT-QPEQYQDCSA-N 405.413 3.037 5 40 HGBB Cc1nn(Cc2ccccc2F)c(C)c1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 2805092 YZBLRWMVKGYURQ-UHFFFAOYSA-N 404.423 3.396 5 40 HGBB CS(=O)(=O)c1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)c([N+](=O)[O-])c1 8710855 BBPCEJJJTOVRFX-UHFFFAOYSA-N 417.365 3.068 5 40 HGBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc([N+](=O)[O-])o4)c3)nn12 10010273 QQCOJRBWWVTFCI-UHFFFAOYSA-N 414.403 3.177 5 40 HGBB O=C(COC(=O)c1n[nH]c2ccccc12)Nc1ccc([N+](=O)[O-])cc1Br 28810645 IGAXXFUNMWSGGF-UHFFFAOYSA-N 419.191 3.029 5 40 HGBB O=C(Cc1cccs1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2653071 YTFDVTLWSCEFPI-UHFFFAOYSA-N 409.470 3.127 5 40 HGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2O)CC1 58159059 ZSLXQDSXQBYVFG-ZDUSSCGKSA-N 404.854 3.103 5 40 HGBB CCc1ccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222517024 JNKITWCTECJSSM-GOSISDBHSA-N 405.476 3.341 5 40 HGBB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)c1 12173505 KSKBYYNUMPUUHG-UHFFFAOYSA-N 416.415 3.393 5 40 HGBB CCOc1cc(C(=O)Oc2cc(C)[nH]c(=O)c2[N+](=O)[O-])cc(OCC)c1OCC 11330448 DMFVYCSZBRFCOT-UHFFFAOYSA-N 406.391 3.007 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3295873 PSIVUIKEORRZHK-UHFFFAOYSA-N 413.459 3.381 5 40 HGBB CCOc1ccc(NC2=NC(=O)[C@@H](CC(=O)Nc3ccccc3[N+](=O)[O-])S2)cc1 5499892 WMFTVCDMRYARPC-MRXNPFEDSA-N 414.443 3.432 5 40 HGBB O=C(Nc1ccc(-n2cnnn2)cc1)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 6784344 KYSVWTAVZMAXPG-UHFFFAOYSA-N 407.434 3.203 5 40 HGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 9402878 KSANZOYFWUDMJR-INIZCTEOSA-N 418.356 3.463 5 40 HGBB CC(C)CN(Cc1cc2ccccc2[nH]c1=O)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13571773 NIPASPLHVAIWSS-UHFFFAOYSA-N 415.471 3.283 5 40 HGBB COc1ccc(O)c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 26018391 ALEKDVNEZNGDJJ-UHFFFAOYSA-N 414.292 3.123 5 40 HGBB CN(C)CCCn1ccc2nc3ccn(-c4cccc(Cl)c4)c(=O)c3cc2c1=O 38829027 YAXZFZVQAHJDGX-UHFFFAOYSA-N 408.889 3.306 5 40 HGBB C[C@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101455713 NVXHZMNTASVJHT-SECBINFHSA-N 406.311 3.232 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1F)[C@@H]1CSCN1C(=O)OCc1ccccc1 408736357 BCPNOIDJSFXALY-INIZCTEOSA-N 405.407 3.384 5 40 HGBB O=C(c1ccccc1)[C@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@@]12C(=O)Nc1ccccc12 2330392 TXJHZJYGLJUAQU-FYYLOGMGSA-N 413.389 3.471 5 40 HGBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)OC1CCCCC1 5008310 QEZWGFGCZRGVHM-UHFFFAOYSA-N 406.464 3.270 5 40 HGBB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])n2N)cc1 5753986 SBJLIWLBMZWBRC-UHFFFAOYSA-N 412.475 3.223 5 40 HGBB COc1cccc(OC)c1C(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 6954646 YBBJOXUGGSZVHW-UHFFFAOYSA-N 405.838 3.228 5 40 HGBB Cc1ccc(C)n1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 8475684 QVMKGXOIIFFTRP-UHFFFAOYSA-N 404.382 3.198 5 40 HGBB CN(C)CCNC(=O)c1ccccc1NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 10312751 LUTJEDNGAGKXLD-UHFFFAOYSA-N 422.441 3.399 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCCNC1CCCCC1 12537232 JHRPNWJJBXCVIJ-UHFFFAOYSA-N 424.567 3.494 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1OC 17091402 OWXYODJFFCFMRV-UHFFFAOYSA-N 418.456 3.349 5 40 HGBB Cc1cccc(C)c1N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 19943446 LWEWTPVBLQSTFW-UHFFFAOYSA-N 409.895 3.376 5 40 HGBB COC(=O)c1c(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)sc2c1CCCC2 20452091 PWKAEDSMGHLMAW-UHFFFAOYSA-N 410.473 3.264 5 40 HGBB CN(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 58145380 XMLZHAIVQDTSHD-KDOFPFPSSA-N 406.870 3.281 5 40 HGBB CCCCn1c(=N)c(C(=O)NCc2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 101114463 ZSQWZJCMUDTILS-UHFFFAOYSA-N 415.497 3.167 5 40 HGBB CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1CCN1C(=O)c2ccccc2C1=O 1507951 VFHDPCNWQXZWQU-UHFFFAOYSA-N 407.382 3.092 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 9042781 NXDUPPXYZDNDIK-MHTWAQMVSA-N 417.421 3.008 5 40 HGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O 9463773 RRBRGKJQICOQED-QGZVFWFLSA-N 422.210 3.464 5 40 HGBB Cc1ccccc1Nc1oc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 10383523 GYTKZNTZJCNGHY-UHFFFAOYSA-N 406.398 3.457 5 40 HGBB O=c1nc(/C=C/c2cc([N+](=O)[O-])ccc2O)cc(/C=C/c2cc([N+](=O)[O-])ccc2O)[nH]1 16385624 YCWXNUVEKZPING-ZPUQHVIOSA-N 422.353 3.338 5 40 HGBB CN(CCOc1ccc(Br)cc1)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 40070009 TYJFEKBNTQGYRU-UHFFFAOYSA-N 419.235 3.385 5 40 HGBB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)c([N+](=O)[O-])c1 58292328 ZFJGQKLDTWIWIG-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB O=C(OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-])OCc1c([N+](=O)[O-])cccc1[N+](=O)[O-] 68568750 PAVPPCCZZVTAEF-UHFFFAOYSA-N 422.262 3.173 5 40 HGBB biogenic CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(OC)c1)S(C)(=O)=O 220621897 ULJHCHXYUOJRMW-SFHVURJKSA-N 421.475 3.095 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(OC)cc1)S(C)(=O)=O 220648343 STQZATWPKMJVIE-GOSISDBHSA-N 421.475 3.095 5 40 HGBB COC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225082252 QPXDQBVWEULNLE-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB CNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225214697 GAYJLBGVPQQRPJ-INIZCTEOSA-N 415.515 3.300 5 40 HGBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 7388127 HECXVMGQSCOYIB-UHFFFAOYSA-N 400.435 3.135 5 40 HGBB Cc1cc(C(=O)NCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)ccc1[N+](=O)[O-] 13008640 SOADONWGQJVPJC-CYBMUJFWSA-N 412.471 3.462 5 40 HGBB Cc1cc(=O)n2c(n1)NC(NCc1ccccc1)=N[C@@H]2c1cc([N+](=O)[O-])ccc1Cl 17094124 YBIGXFSOJVWFRU-SFHVURJKSA-N 424.848 3.232 5 40 HGBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1cccc([N+](=O)[O-])c1 20798553 RLLIYWPNNZNCFT-GOSISDBHSA-N 423.425 3.424 5 40 HGBB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c1 40130887 JZQNVUZHPSCAJX-UHFFFAOYSA-N 413.430 3.103 5 40 HGBB Cc1ccc([C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)N(C)C)cc1 95451489 YRQGPMWQXFPQBT-SFHVURJKSA-N 403.504 3.020 5 40 HGBB CSc1ccc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 12754114 WVURWRXQVRAOLK-KRWDZBQOSA-N 401.488 3.120 5 40 HGBB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](C)SC2=N1 5067173 DTBUJXURVXEJKG-WBMJQRKESA-N 403.460 3.443 5 40 HGBB CC(C)OC(=O)C[C@H](NS(=O)(=O)c1cccc(F)c1)c1ccccc1[N+](=O)[O-] 31071112 XAGUWZDMRMIKKC-INIZCTEOSA-N 410.423 3.095 5 40 HGBB Cc1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)o1 1364598 WHFPGGBNKSFGIM-ZDUSSCGKSA-N 418.431 3.115 5 40 HGBB C[C@H]1CCN(C(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)c2ccccc2S1 57585523 XUQPSVAZTQDUHB-AWEZNQCLSA-N 416.503 3.328 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N[C@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)CC1 58162257 BNRIFWCNXOVVPQ-YGDNTTNZSA-N 411.524 3.167 5 40 HGBB CC[C@H](CNC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O)c1ccccc1 12795883 NYKODBOVHUPTCS-MRXNPFEDSA-N 406.442 3.373 5 40 HGBB O=C(c1ccoc1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829747 FNCKABKFTOMAFY-UHFFFAOYSA-N 414.296 3.077 5 40 HGBB CCCC[C@@H](CC)CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 224819538 OULQQPYIGFIRQO-MRXNPFEDSA-N 413.540 3.474 5 40 HGBB O=[N+]([O-])c1ccc(Cl)cc1S(=O)(=O)NC[C@@H](O)c1cccc2ccccc12 1192395479 IQUFZNLTWUYXSY-QGZVFWFLSA-N 406.847 3.413 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 5182065 QLPHYZXXCJDFHE-UHFFFAOYSA-N 404.398 3.445 5 40 HGBB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)CCn1ccc([N+](=O)[O-])n1 653018 BBQHNQAPIFSWIF-UHFFFAOYSA-N 402.842 3.335 5 40 HGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1cccc(C)c1 4501663 HWDGEJCNMJZYLI-SOFGYWHQSA-N 409.398 3.450 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2C)n1C 5861631 KQIQYFIJDVEGNA-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB C[C@H](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)CNC(=O)c1ccc([N+](=O)[O-])cc1 6852796 UNTGRMCAWOSHIV-CQSZACIVSA-N 414.418 3.079 5 40 HGBB COc1ccccc1NC(=O)CCN1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 12371769 HJUXXJBICDLYHE-UHFFFAOYSA-N 419.393 3.381 5 40 HGBB COC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)c1cc(=O)oc2c(OC)c(OC)ccc12 13722446 KQAXMRBHKMYFOY-MRXNPFEDSA-N 413.382 3.218 5 40 HGBB CCOc1ccc(C(=O)N[C@@H](c2cccc(OC)c2)c2nccn2C)cc1[N+](=O)[O-] 24019000 WOISNPMSMFQPBR-IBGZPJMESA-N 410.430 3.255 5 40 HGBB COc1cccc(N2C[C@@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c1 40058954 BXFPCXDUUKZZFT-AWEZNQCLSA-N 417.849 3.268 5 40 HGBB COc1cc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)ccc1[N+](=O)[O-] 66027195 ZKMIVMGBGPXLMC-UHFFFAOYSA-N 401.419 3.149 5 40 HGBB CCC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 78933874 ABKTZGOCLYAWEJ-LPHOPBHVSA-N 416.522 3.304 5 40 HGBB COc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 226353960 LQZDRIQDEPHXFU-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB Cn1c(Sc2ncccc2[N+](=O)[O-])nnc1-c1cc(Br)ccc1O 408602042 AAMHGDGXXNLTMO-UHFFFAOYSA-N 408.237 3.405 5 40 HGBB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1cccc([N+](=O)[O-])c1 409183923 VCFTWNVTKIZCEN-UHFFFAOYSA-N 416.393 3.428 5 40 HGBB COc1cc(C(=O)OCc2cc(=O)oc3c(C)c(O)ccc23)c([N+](=O)[O-])cc1OC 5245803 UCXTZZBTENXGJY-UHFFFAOYSA-N 415.354 3.089 5 40 HGBB O=C(C1CC1)N1CCCc2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc21 5252368 TZDJJHJFHZXXEI-UHFFFAOYSA-N 401.444 3.085 5 40 HGBB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 5500998 IAOUUJHCROABNZ-UHFFFAOYSA-N 402.432 3.079 5 40 HGBB O=C(COc1ccc(Cl)cc1Cl)NCC(=O)OCc1ccccc1[N+](=O)[O-] 6591869 VIEXBGNDGZFMJK-UHFFFAOYSA-N 413.213 3.140 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccccc1N1CCCCC1 6615712 JTGUDLJLTMORNG-UHFFFAOYSA-N 414.487 3.477 5 40 HGBB CC1CCN(c2ccc(C(=O)NC[C@H]3COc4ccccc4O3)cc2[N+](=O)[O-])CC1 8189503 QFXVKJVOTJWJNV-KRWDZBQOSA-N 411.458 3.401 5 40 HGBB O=[N+]([O-])c1cccc(C(=S)N2CCN(C(=S)c3cccc([N+](=O)[O-])c3)CC2)c1 10381690 GWOMYRBGCGULGB-UHFFFAOYSA-N 416.484 3.172 5 40 HGBB CC1CCN(C(=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)n2cc(Cl)ccc2=O)CC1 12464039 OXOAPYYCILWFSN-GOSISDBHSA-N 417.849 3.092 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037572 NXDUPPXYZDNDIK-PLACYPQZSA-N 417.421 3.008 5 40 HGBB Cc1cccc(NC(=O)CN(C[C@H]2CCCO2)C(=O)c2ccccc2[N+](=O)[O-])c1C 21336925 FDWCZDOFPJRTKB-QGZVFWFLSA-N 411.458 3.472 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408688640 WKQSJYZGMZKZBS-OALUTQOASA-N 405.410 3.103 5 40 HGBB O=C(c1ccccc1I)c1cc2c(cc1[N+](=O)[O-])OCCO2 1443705 RGZZXRWUECOUHS-UHFFFAOYSA-N 411.151 3.202 5 40 HGBB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 4517728 SRQNNYNJIXHDBJ-UHFFFAOYSA-N 403.441 3.374 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccc(Cl)cc1 6111436 JPWVSNQHALCQHN-UHFFFAOYSA-N 414.892 3.420 5 40 HGBB O=C(c1nn(-c2ccccc2)c(=O)c2ccccc12)N1CCc2ccc([N+](=O)[O-])cc21 12782581 CIXPSQDQSRQJII-UHFFFAOYSA-N 412.405 3.497 5 40 HGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)cc1C(=O)O 16399711 IQARFDSAQSNBMI-QPJJXVBHSA-N 405.819 3.473 5 40 HGBB O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 408613154 XROLWQRVLKXUPR-GOSISDBHSA-N 415.421 3.098 5 40 HGBB Cc1cc(C)n(-c2cc(N3CCN(c4ccc(Cl)nn4)CC3)ccc2[N+](=O)[O-])n1 4311857 YXNNXZSEJILHHN-UHFFFAOYSA-N 413.869 3.167 5 40 HGBB O=C(O)CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@H]1c1ccc2nccnc2c1 12981297 SGRHNKZHCYPESJ-IBGZPJMESA-N 419.397 3.081 5 40 HGBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 20154234 FAYQYFXTJAPOGZ-UHFFFAOYSA-N 405.252 3.019 5 40 HGBB C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCO2 32777374 NFNLOACQULWNJM-NSHDSACASA-N 415.427 3.477 5 40 HGBB COc1cc(OC)cc(C(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 42390661 WUYIOEGHYPYDET-UHFFFAOYSA-N 413.430 3.103 5 40 HGBB CCN1CCN([C@H](c2cccs2)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4139432 SLVIKNGUZXJAES-KXBFYZLASA-N 402.520 3.153 5 40 HGBB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 22374742 JCEZHLQATPGGEW-MRXNPFEDSA-N 419.503 3.163 5 40 HGBB C[C@@H](OCc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 48291114 DFROEGIYKHDNQN-QGZVFWFLSA-N 420.469 3.397 5 40 HGBB O=c1cc(CN2CCN(c3ccccc3)CC2)occ1OCc1ccc([N+](=O)[O-])cc1 56949863 VHEGCPBXHDYVQS-UHFFFAOYSA-N 421.453 3.449 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cccc(C(F)(F)F)c1 225076745 SKBOWOONSZCTCH-UHFFFAOYSA-N 418.349 3.202 5 40 HGBB O=c1c2c(-c3ccccc3)csc2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 24829685 ZGUANDIONFWEHM-INIZCTEOSA-N 423.450 3.473 5 40 HGBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 25230045 OUEVNJFJTWRQDM-AZUAARDMSA-N 414.458 3.333 5 40 HGBB CN(C)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cc2c(cc1Br)OCCO2 16008851 JKPXXEOLRCRQTQ-UHFFFAOYSA-N 422.235 3.447 5 40 HGBB O=C(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113883993 GVCCMNVPWATEHN-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)N2CCCCC2)cc1OC 40087614 VWVFJMNZFMPAGH-UHFFFAOYSA-N 413.430 3.490 5 40 HGBB CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071365 GMAGRCLLNYGSRM-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395731 SQCMYQLCWQDXMB-CVEARBPZSA-N 419.503 3.244 5 40 HGBB CC(C)OC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 14393835 YOQCAWKXDXSRRY-UHFFFAOYSA-N 413.430 3.249 5 40 HGBB CCOC(=O)c1nn(-c2ccccc2C)c(=O)cc1OCc1cccc([N+](=O)[O-])c1 5255058 XVQDOGXECXBCPD-UHFFFAOYSA-N 409.398 3.205 5 40 HGBB Cc1ccccc1Nc1nc(N)nc(COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)n1 6062283 FPFXLXLSPNPYSN-UHFFFAOYSA-N 414.809 3.424 5 40 HGBB CCOc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 6355218 IWOGQCVYLBBZER-CQSZACIVSA-N 421.475 3.095 5 40 HGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccccc3[N+](=O)[O-])nc12 10010670 DUTSFGBWCMOVIB-UHFFFAOYSA-N 404.360 3.139 5 40 HGBB CC(C)c1cc(=O)nc(-n2nc(-c3ccco3)cc2NC(=O)c2ccc([N+](=O)[O-])o2)[nH]1 12007991 MVMTWMURBYJVHR-UHFFFAOYSA-N 424.373 3.093 5 40 HGBB CCOc1cc2c(cc1NC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)O[C@@H](C)C2 12985329 USDDFPSNNAYINA-NSHDSACASA-N 400.387 3.356 5 40 HGBB O=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 17083845 MQSWDYONBFJWGL-UHFFFAOYSA-N 421.438 3.457 5 40 HGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCCc3ccc(O)cc3)c([N+](=O)[O-])c2)C1 40155560 USJHODMQJQIAPL-OAHLLOKOSA-N 419.503 3.376 5 40 HGBB CCN(CC)C[C@H](C)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 58175441 WBCIVGBGZNBXES-INIZCTEOSA-N 412.556 3.158 5 40 HGBB NC(=O)c1cc([N+](=O)[O-])cc2nc(-c3ccc(I)cc3)oc12 73641741 LQEWFQANKSLJPU-UHFFFAOYSA-N 409.139 3.107 5 40 HGBB CCn1nc(C)c(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c1C 408978059 XZQMUURBUKTSIX-UHFFFAOYSA-N 409.358 3.290 5 40 HGBB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1cccc([N+](=O)[O-])c1 940458 ZMQKGYRNTNOBRM-SFHVURJKSA-N 406.402 3.123 5 40 HGBB CC(C)(C)OC(=O)C(Cl)(C(=O)OC(C)(C)C)c1ncc([N+](=O)[O-])cc1[N+](=O)[O-] 3624498 UZWBKPJUMIQCOJ-UHFFFAOYSA-N 417.802 3.016 5 40 HGBB C[C@H](Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)O 5015007 IVVDFOIISIAHAA-LBPRGKRZSA-N 400.416 3.320 5 40 HGBB CCNc1cc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)c([N+](=O)[O-])c2nonc12 8995841 DLBNYYWUPJTLLV-UHFFFAOYSA-N 409.406 3.104 5 40 HGBB CCCOC(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 14665152 BACGWAXLMHNYDR-UHFFFAOYSA-N 413.430 3.251 5 40 HGBB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] 14798664 DWUGRIZRTHGYTK-AWEZNQCLSA-N 421.450 3.082 5 40 HGBB CN1CCN(c2ccc(NC(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)cc2)CC1 23133968 WHSUEXVLJPNHNP-UHFFFAOYSA-N 423.517 3.202 5 40 HGBB C[C@@H]1CN([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 24302862 NYFHBIAJUKMRKB-RULNRJAQSA-N 410.685 3.130 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 34910322 VOUUTNIAPXTDBA-OVCLIPMQSA-N 417.374 3.115 5 40 HGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(OCC)cc1 224601187 SFOJQPUQXVXAAJ-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB COc1ccc(C(=O)OCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)cc1[N+](=O)[O-] 2660880 GYIDJENPLXFNSV-MRXNPFEDSA-N 416.430 3.240 5 40 HGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1 3505394 RMRQRWQPHLOTBV-UHFFFAOYSA-N 400.387 3.347 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCC(n2nnc3cc(F)ccc32)CC1 4895577 QTGSIWYQUDCIDH-UHFFFAOYSA-N 412.425 3.063 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cc(C)ccc1C)S(C)(=O)=O 10363519 JXEPELFSSYVATP-AWEZNQCLSA-N 421.475 3.013 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17087503 QMJWWGSLQFIDIJ-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220569153 JEAPOMNLGJMTBN-SFHVURJKSA-N 405.476 3.395 5 40 HGBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccc(Cl)cc1 408663019 YBOYHXZYZZGZSW-TZMCWYRMSA-N 416.817 3.416 5 40 HGBB CCOC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](C(=O)OCC)c1ccc([N+](=O)[O-])cc1 1871119 COXAROUYLKIQFD-ROUUACIJSA-N 416.386 3.497 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnnn1-c1ccc(C)cc1 3498525 CCUKBKGECMJYBS-GFCCVEGCSA-N 414.447 3.007 5 40 HGBB Cc1cc(NC(=O)CN2CCC(C(=O)N3CCCCCC3)CC2)c([N+](=O)[O-])cc1C 12977590 UDYAHDFEVMWMGZ-UHFFFAOYSA-N 416.522 3.265 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC 13137711 JHLZPWHSWCQTCC-LLVKDONJSA-N 402.407 3.010 5 40 HGBB Cc1ccc(C)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17089896 RVQJDDHSNICZRB-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCC[N@@+]2(C)CCCC[C@H]12 252460750 HWQOIKLWBXMRDS-YIDHPNLISA-N 402.511 3.252 5 40 HGBB biogenic CCC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 6245833 VNRLDTGPNHYHRW-ZHACJKMWSA-N 408.458 3.305 5 40 HGBB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1ccc([N+](=O)[O-])cc1Cl 6841630 IQKBUNGXVGOUFW-KRWDZBQOSA-N 404.806 3.005 5 40 HGBB C[C@@H](NC(=O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(=O)c1ccccc1 8394693 TUGLPUQFXFQKJH-CYBMUJFWSA-N 407.382 3.176 5 40 HGBB CN(Cc1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)C(=O)/C=C/C(=O)O 8861900 WFHRHIAVQODQAP-ZHACJKMWSA-N 406.398 3.047 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(-n2cnc(-c3ccccc3)c2)c([N+](=O)[O-])c1 18034361 LNVFSEKKQIGEOK-UHFFFAOYSA-N 400.460 3.478 5 40 HGBB C[C@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 31662113 DXANAPJNZWHIKB-QGZVFWFLSA-N 409.320 3.461 5 40 HGBB C[C@@H]1CCCN(c2ccc(C(=O)NC[C@@H]3COc4ccccc4O3)cc2[N+](=O)[O-])C1 32995877 YMEWEXCLVRAVFZ-NVXWUHKLSA-N 411.458 3.401 5 40 HGBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)o1 409343596 HXPAIHOKWKBXLB-DAXSKMNVSA-N 400.303 3.143 5 40 HGBB Cc1ccc(C2=N/C(=C\c3ccc(I)o3)C(=O)O2)cc1[N+](=O)[O-] 15135269 SBPDMHVNOMEGDS-XFFZJAGNSA-N 424.150 3.445 5 40 HGBB O=C(NC(=S)Nc1ccccc1[N+](=O)[O-])c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17090264 FKDSGVWOPVUDBS-UHFFFAOYSA-N 415.431 3.230 5 40 HGBB CC(=O)c1ccc(N2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 57363717 XBJADHFEBJQTND-AWEZNQCLSA-N 414.437 3.086 5 40 HGBB CCc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 225797217 USUXIOVLXDUXQW-LSDHHAIUSA-N 419.503 3.189 5 40 HGBB COC(=O)c1cccc([N+](=O)[O-])c1C(=O)OCC(=O)c1ccc(Br)cc1 863579 XBSCWJGYBZBOQH-UHFFFAOYSA-N 422.187 3.184 5 40 HGBB O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1049530 LBHUPSSHOCUKJM-YCIYHOANSA-N 410.429 3.467 5 40 HGBB O=C(CNC(=O)c1ccco1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6595574 XVAGOEKEQMOZHU-HXUWFJFHSA-N 408.366 3.085 5 40 HGBB COc1ccc(NC(=O)[C@@H](C)N2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 8473065 JMALCEQSHIALIP-CYBMUJFWSA-N 415.446 3.006 5 40 HGBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(OC)c(O)c([N+](=O)[O-])c3)S2)cc1 19594117 WWPWXHXKFQUHKZ-LZOLKVDOSA-N 401.444 3.471 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3cccc4cccnc34)n2)cc1 69437017 HXNNMOMXQVIKOT-UHFFFAOYSA-N 409.427 3.189 5 40 HGBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cc([N+](=O)[O-])ccc1O 100931027 JWMJINWWLGZBEH-UHFFFAOYSA-N 424.281 3.071 5 40 HGBB CCOc1ccc(N([C@H](CC)C(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220671319 IPPHJHFQNSCOMC-GOSISDBHSA-N 421.475 3.177 5 40 HGBB CCOC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 976263 LBBIWPSRQAPDAI-UHFFFAOYSA-N 414.443 3.410 5 40 HGBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccncc1 3578137 VMTHMOBONQKZAY-UHFFFAOYSA-N 404.839 3.170 5 40 HGBB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 9708144 YQGZJDALTIRNFE-LJQANCHMSA-N 420.425 3.047 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2-c2nnc3n2CCCCC3)cc1 12631462 GPOPBUZAXJBXPS-UHFFFAOYSA-N 413.459 3.381 5 40 HGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c2ncccc12 24988397 MGDWROVARKYHQE-MHWRWJLKSA-N 424.482 3.266 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NCCC1=CCCCC1)S(C)(=O)=O 220387025 ZIATUZAXOIGEOG-OAHLLOKOSA-N 409.508 3.064 5 40 HGBB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C 408659660 WFMZCYYGTCEUFN-KRWDZBQOSA-N 410.426 3.299 5 40 HGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc2c3c(cccc13)CC2 24708466 QJBTWAHKMUYZSP-UHFFFAOYSA-N 401.378 3.081 5 40 HGBB CCN1C[C@@H](CN(C)C(=O)Nc2ccc(OC)cc2[N+](=O)[O-])Oc2ccccc21 12768671 QRAAQCWUPYGCKV-OAHLLOKOSA-N 400.435 3.355 5 40 HGBB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409209110 FVPFFLBJQYTAJZ-YBEGLDIGSA-N 415.427 3.417 5 40 HGBB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1[N+](=O)[O-] 5981371 GRGFJHSVUGIVTJ-UHFFFAOYSA-N 400.284 3.477 5 40 HGBB CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 78933848 ABKTZGOCLYAWEJ-VQIMIIECSA-N 416.522 3.304 5 40 HGBB O=C(NCCCSc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 95988665 LGSIQOKBPUXZSF-UHFFFAOYSA-N 419.478 3.483 5 40 HGBB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 223653148 XGUXCJYICKZTHY-UHFFFAOYSA-N 408.432 3.278 5 40 HGBB CNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222400021 JXJIYNFXQMLPDY-MRXNPFEDSA-N 415.515 3.300 5 40 HGBB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1n[nH]c2ccc([N+](=O)[O-])cc12 32321041 DYOKGEJFVNUBLA-UHFFFAOYSA-N 400.345 3.488 5 40 HGBB C[C@@H](NC(=O)CS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 32796829 RRFIUEURDKLMRH-CYBMUJFWSA-N 402.428 3.133 5 40 HGBB O=[N+]([O-])c1cccc(N2CCN(S(=O)(=O)c3ccccc3C(F)(F)F)CC2)c1 51183484 IGMFPFBXEIKPOA-UHFFFAOYSA-N 415.393 3.125 5 40 HGBB O=C(Nc1ccnc(CO)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 89768311 MPHTZWAJNRBGOF-UHFFFAOYSA-N 424.379 3.356 5 40 HGBB CCOC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224766594 NGLYWAHDZUKJTG-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB CC[N@+]12CCC[C@@]34CC[C@@]5([C@H](C(=O)OC)C3)N(C(C)=O)c3ccccc3[C@]5(CC1)[C@@H]42 247648292 LETLXEQFYFDEOJ-VGYGZPBYSA-N 409.550 3.406 5 40 HGBB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 408645938 VDTKINAOUGGECO-NSHDSACASA-N 419.821 3.257 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N2CCCCC2)c1 2646688 RUJIEOKWPQAKCC-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB CCOc1ccc(NC(=O)c2nn(-c3ccc(CC)cc3)ccc2=O)c([N+](=O)[O-])c1 5452283 HHZWDMNWLNZXBR-UHFFFAOYSA-N 408.414 3.354 5 40 HGBB COc1cccc2cc(/C=C/C(=O)OCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)oc12 11581197 WFYQAWISYYTMPT-SOFGYWHQSA-N 422.393 3.495 5 40 HGBB CCOC(=O)[C@H]1CSCCN1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12536926 FDZOMOAGYZFULS-GOSISDBHSA-N 421.519 3.096 5 40 HGBB O=C(CCn1cnc2sccc2c1=O)Nc1ccc([N+](=O)[O-])c(Br)c1 95450501 LKXYYGHXTMEMOO-UHFFFAOYSA-N 423.248 3.158 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(C(F)(F)F)cc1 220044460 UHUYMACEVLYJHO-UHFFFAOYSA-N 417.365 3.018 5 40 HGBB Nc1ccc(C(=O)OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1[N+](=O)[O-] 9580017 SRJYUQVXHJSQJA-UHFFFAOYSA-N 416.390 3.235 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(I)cc2F)cc1 96111305 LKAYBVBYJPZVSF-UHFFFAOYSA-N 422.175 3.139 5 40 HGBB CCOC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224766209 HDBJEPYZAZMGCE-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB COC(=O)c1c(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)sc2c1CCCC2 6362253 ZHMFGMDAPOCKIF-UHFFFAOYSA-N 410.473 3.431 5 40 HGBB C[C@@]12CC3CC(NC(=O)c4ccc(N5CCNCC5)c([N+](=O)[O-])c4)(C1)C[C@@](C)(C3)C2 100315343 NZWRVXMQYHWDNI-HPISXYKUSA-N 412.534 3.483 5 40 HGBB Cc1c(N2C(=O)CS[C@@H]2c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 2315029 REZYKVBAWWFODM-HXUWFJFHSA-N 410.455 3.171 5 40 HGBB O=C(O)c1ccccc1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 3660878 PYMXNBDQSJMVAR-UHFFFAOYSA-N 407.294 3.155 5 40 HGBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)sc2c1CCN(C)C2 408564335 WKTFXXGPKAFARV-UHFFFAOYSA-N 409.851 3.337 5 40 HGBB Cc1cc(I)ccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 33934444 LGPVXHMUXNOFRS-UHFFFAOYSA-N 418.212 3.309 5 40 HGBB N=c1c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc2n1C1CCCC1 2201540 NNGDUQOBIRSCIM-UHFFFAOYSA-N 420.494 3.077 5 40 HGBB COC(=O)c1c(NC(=O)C2CC2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 5007051 IJEWGWHSTOZATF-UHFFFAOYSA-N 403.416 3.352 5 40 HGBB CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)C1=O 8644641 OIUMAZBETOQPPY-IBGZPJMESA-N 416.821 3.044 5 40 HGBB CNS(=O)(=O)c1ccc(N2CCC[C@@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 8705393 XSMIGHUTHKJRLV-OAHLLOKOSA-N 418.500 3.454 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 13590481 LJRAENNWACDRLS-MRXNPFEDSA-N 424.291 3.113 5 40 HGBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccc(Cl)cc1 408663018 YBOYHXZYZZGZSW-OCCSQVGLSA-N 416.817 3.416 5 40 HGBB COc1cc(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)cc(OC)c1OC 2460231 SBRFKFXKFXYDGL-UHFFFAOYSA-N 412.830 3.198 5 40 HGBB COC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cc([N+](=O)[O-])ccc3OC)o2)C1=O 2813029 FTAGTWKZPOPWKC-NVNXTCNLSA-N 418.383 3.073 5 40 HGBB O=C(Nc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4895934 IJKLFOOBQYDCNN-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB CCn1c2ccccc2c2nnc(SCC(=O)Nc3ncc([N+](=O)[O-])s3)nc21 6135671 ZVAISZJVTRWCTB-UHFFFAOYSA-N 415.460 3.095 5 40 HGBB O=C(CNC(=O)c1ccccc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041862 CUQBZORBBMBPGC-JOCHJYFZSA-N 418.405 3.492 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713696 PZWDCWMDKIXHEG-KRWDZBQOSA-N 405.476 3.395 5 40 HGBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(F)c([N+](=O)[O-])c2)c(F)c1F 17092615 PYOSHTXADNCBSR-UHFFFAOYSA-N 421.303 3.426 5 40 HGBB COc1cc(COC(=O)c2cnc3c(c2)c(C)nn3C)c([N+](=O)[O-])cc1OC(F)F 24199935 HSOIDMRDXAFQJF-UHFFFAOYSA-N 422.344 3.152 5 40 HGBB CSc1ccc(C(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)cc1[N+](=O)[O-] 24301491 HBJBRMIWOBCEEN-UHFFFAOYSA-N 413.499 3.210 5 40 HGBB O=C(c1cccc2ccccc12)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 29527554 YKWAPCCVLJFFKW-UHFFFAOYSA-N 401.426 3.358 5 40 HGBB CN(Cc1ccc(OC(F)(F)F)cc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 30313687 CXCXKZFHYZKMLX-UHFFFAOYSA-N 421.335 3.346 5 40 HGBB O=C(CN1[C@H]2CC[C@H]1CC(NC(=O)Nc1ccccc1)C2)Nc1ccccc1[N+](=O)[O-] 100433764 WTMGHGRFNIIQDM-ROUUACIJSA-N 423.473 3.350 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408686277 RHIGKUOJJYHZKL-CPLUKWAASA-N 419.437 3.183 5 40 HGBB CN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)S(=O)(=O)c1ccc2ccccc2c1 3319968 YYYAFRKSBGGBTF-UHFFFAOYSA-N 414.439 3.435 5 40 HGBB O=C(c1ccco1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 4150491 JDZKJURLXCCVEI-UHFFFAOYSA-N 407.430 3.157 5 40 HGBB CCNc1ccc(C(=O)OCC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)cc1[N+](=O)[O-] 5687643 CZZYXCYEXOZUAN-UHFFFAOYSA-N 417.418 3.188 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 8414620 UELNHZLWPFCBCT-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O 8475256 XCUPIFSEYSRAAB-UHFFFAOYSA-N 401.378 3.448 5 40 HGBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 13546680 MLRDPANLJCFTAT-OVCLIPMQSA-N 401.356 3.445 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1C 20061465 VCUNKDAXDGVKRI-UHFFFAOYSA-N 403.460 3.248 5 40 HGBB O=C(c1cn(-c2cccc(Br)c2)nn1)N1CCc2ccc([N+](=O)[O-])cc21 40073958 ZXIDQMKCSIVKDS-UHFFFAOYSA-N 414.219 3.141 5 40 HGBB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 223772824 MZKORCLDKMGAKG-UHFFFAOYSA-N 408.461 3.226 5 40 HGBB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1C 223867658 ULJYBBJKFVYPEV-SFHVURJKSA-N 421.475 3.095 5 40 HGBB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225677655 GLDKTGSZDGEPFL-INIZCTEOSA-N 415.465 3.466 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408689002 XKIZUHKKVZDWAF-OALUTQOASA-N 407.426 3.327 5 40 HGBB O=C(COc1ccc(Cl)cc1)NCc1n[nH]c(=S)n1-c1ccc([N+](=O)[O-])cc1 9368566 FULCHYVWIGOWMS-UHFFFAOYSA-N 419.850 3.187 5 40 HGBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2N)c([N+](=O)[O-])c1 12656412 JHNKGKKNTXWKOQ-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB O=C(CCN1CCN(Cc2ccc(Cl)s2)CC1)Nc1ccccc1[N+](=O)[O-] 26249855 ZRBILMKIYZPTEC-UHFFFAOYSA-N 408.911 3.456 5 40 HGBB Cc1ccc(OCCOc2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1 33779788 AMRUQLUBPSHNSV-IZZDOVSWSA-N 409.398 3.320 5 40 HGBB N=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1c1ccc2c(c1)OCO2 34107844 ZXCXQNLVQSUXSL-MJRCLDISSA-N 413.367 3.108 5 40 HGBB CCCCCCn1ccc2nc3ccn(-c4nc(SC)n[nH]4)c(=O)c3cc2c1=O 40398857 UWQXLFJGWZXSIC-UHFFFAOYSA-N 410.503 3.121 5 40 HGBB Cc1cc(NC(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)ccc1Br 8883014 LSUMFGNZBQQLRV-UHFFFAOYSA-N 417.219 3.014 5 40 HGBB Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1c[nH]nc1-c1cccc([N+](=O)[O-])c1 1429554 XLUIBBDMTUPYHP-HNNXBMFYSA-N 416.393 3.278 5 40 HGBB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)CCSC2=N1 2502054 RMXYVUDDWAJAKZ-KRWDZBQOSA-N 403.460 3.444 5 40 HGBB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409242500 OBJGCVJJCYEOKX-GZTJUZNOSA-N 411.414 3.485 5 40 HGBB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222536486 KXMDVWQJJGXXEY-GOSISDBHSA-N 423.535 3.455 5 40 HGBB CNc1cc(N2CCN(C(=O)c3cc(Cl)ccc3OC)CC2)ccc1[N+](=O)[O-] 13633015 QWSFTHHPGGFALT-UHFFFAOYSA-N 404.854 3.261 5 40 HGBB CSc1ccc(C(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1[N+](=O)[O-] 15638863 YIYFMLQOFJPDAX-CQSZACIVSA-N 415.471 3.478 5 40 HGBB CN1CCN(c2ccc(-c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)nn2)CC1 5259410 RXIQLWMCZGIFPA-UHFFFAOYSA-N 418.457 3.056 5 40 HGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1[N+](=O)[O-] 16693011 PPPWFRGQZKGPEA-UHFFFAOYSA-N 423.834 3.472 5 40 HGBB COc1ccc(S(=O)(=O)Nc2nc3c(F)cc(F)cc3s2)cc1[N+](=O)[O-] 6623201 QVHAGAKMKJZEQC-UHFFFAOYSA-N 401.372 3.292 5 40 HGBB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)s1 9743974 XTABEKDRSQCTJT-UHFFFAOYSA-N 410.481 3.097 5 40 HGBB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 12950535 PIOLYYIJYWTSFB-CQSZACIVSA-N 410.407 3.037 5 40 HGBB Cc1noc(C)c1COc1cccc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061428 FCPNNZGGQKTNPX-HXUWFJFHSA-N 411.414 3.242 5 40 HGBB COCCNc1ccc(C(=O)NC[C@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] 32762083 NGVJRHQTECFQJU-GOSISDBHSA-N 418.519 3.282 5 40 HGBB CCN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(OC)c(OC)c1 224817502 NPQHYABUWLTRLK-UHFFFAOYSA-N 400.840 3.481 5 40 HGBB Cc1ccc(NC(=O)COc2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])cc2)cc1 409318237 VFQQQUGITPDXKL-WDZFZDKYSA-N 422.397 3.292 5 40 HGBB COc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 3441992 BMXBZBYUKMFDTI-UHFFFAOYSA-N 413.213 3.383 5 40 HGBB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1O 5754321 DVWOPRZAEKYNFC-XVNBXDOJSA-N 406.778 3.158 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3C)C2)cc1 8318263 HQJROSKJDRBYFN-MRXNPFEDSA-N 417.487 3.251 5 40 HGBB CCOc1ccc(CCCNS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1OC 30851002 YYDOBHMZINZJAB-UHFFFAOYSA-N 408.476 3.054 5 40 HGBB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(O)c(C(=O)NCCN(C)C)cc([N+](=O)[O-])c1OC2(C)C 257298499 RLZAZCHFHGSQMK-UMVBOHGHSA-N 405.495 3.283 5 40 HGBB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 4742039 REINHDSQOMNDSS-IBGZPJMESA-N 408.414 3.423 5 40 HGBB Cc1nc2ccccc2n1CCNC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 8135428 MWIPSUBROVJLDH-UHFFFAOYSA-N 407.474 3.286 5 40 HGBB O=C(NCc1cccnc1-n1cncn1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 48234580 GPTURWDDDYXYGE-UHFFFAOYSA-N 416.397 3.293 5 40 HGBB C[C@@H](OC(=O)c1cccc2c1OCCN2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 89553075 FTAOLTKZYNSLTB-SNVBAGLBSA-N 405.794 3.237 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 102629812 KSATXQVGRQIAQY-MVWHLILJSA-N 401.467 3.307 5 40 HGBB CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222587588 CJVVURZPAXFYSW-AWEZNQCLSA-N 419.478 3.130 5 40 HGBB COc1cccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc([N+](=O)[O-])c2)c1 827417 NZFCHUKKZJCGNI-KRWDZBQOSA-N 409.320 3.213 5 40 HGBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cccc(F)c1 3209908 GJMNBCBAWCLYIR-UHFFFAOYSA-N 407.404 3.276 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N2CCCCC2)cc1[N+](=O)[O-] 16121596 GARLIDRDVRCOLO-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 19943582 SKBDTHVFCBABMX-UHFFFAOYSA-N 416.286 3.413 5 40 HGBB O=C(Nc1ccccc1Cl)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 28192944 VSJKOGQIBPNIMJ-QGZVFWFLSA-N 423.878 3.430 5 40 HGBB COc1cc(OC)cc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 12173239 GMCXMXPCTAFUJC-UHFFFAOYSA-N 416.415 3.393 5 40 HGBB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(F)c([N+](=O)[O-])c1 12775758 HRVCEDYQYWQXJV-UHFFFAOYSA-N 416.434 3.413 5 40 HGBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(N3CCCSCC3)c([N+](=O)[O-])c2)C1 32935569 OCOBDFAHIXDRMF-HUUCEWRRSA-N 413.565 3.205 5 40 HGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)Nc1ccccc1C 40127945 IKKJBXLHKUAAAY-UHFFFAOYSA-N 424.413 3.283 5 40 HGBB O=C(NCc1nnc(SCc2ccc([N+](=O)[O-])cc2)o1)c1c(F)cccc1F 5107606 BZPDBIMGBUAUOJ-UHFFFAOYSA-N 406.370 3.478 5 40 HGBB Cc1ccc(C(=O)NCC(=O)N[C@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] 12783532 MQEJDJQOJICDEK-HNNXBMFYSA-N 403.435 3.125 5 40 HGBB C/C(=C\C(=O)Nc1ccc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1)C(=O)O 13579147 SCXOSMOYGZKRTH-ZRDIBKRKSA-N 415.427 3.295 5 40 HGBB COC(=O)c1c(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCO3)nc2ccccc2c1C 19298448 QTLABZWDUXERST-UHFFFAOYSA-N 424.365 3.324 5 40 HGBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC(N2CCc3ccccc3C2)CC1 408610670 RHFBKHKGHDVRTK-UHFFFAOYSA-N 410.430 3.166 5 40 HGBB Cc1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 4076433 DEMKHTLVIODHQQ-UHFFFAOYSA-N 403.441 3.445 5 40 HGBB Cc1c(OCC(=O)NC[C@H](O)c2ccccc2)ccc2c1oc(=O)c1ccccc12 6659031 ADHNDFLNPSEDMD-FQEVSTJZSA-N 403.434 3.483 5 40 HGBB O=C(CCCC(=O)OCC(=O)Nc1ccc(F)cc1)Nc1ccc([N+](=O)[O-])cc1 8412995 ZHKQGAIKZVHLFC-UHFFFAOYSA-N 403.366 3.025 5 40 HGBB C[C@@H]1C[C@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)O1 32736580 FZGVUKLDWOTVFV-BMIGLBTASA-N 416.352 3.077 5 40 HGBB Cc1c(CSc2nnc(-c3cccs3)n2CCC(N)=O)cccc1[N+](=O)[O-] 40127877 BMTROMLMABOVHY-UHFFFAOYSA-N 403.489 3.391 5 40 HGBB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2ccccc2[N+](=O)[O-])CCO1 96118371 UKHFDAHBTFYATG-BZNIZROVSA-N 418.475 3.402 5 40 HGBB COc1ccc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 102016774 XNGUJDZEBTVAIX-VJANTYMQSA-N 410.382 3.063 5 40 HGBB CSc1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220408646 IJJSHPTYYSGLSD-GFCCVEGCSA-N 409.489 3.110 5 40 HGBB CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224765175 LCOGJWQYYXMXBJ-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 3502410 YTUSAUQCFSLXDX-UHFFFAOYSA-N 400.387 3.347 5 40 HGBB Cc1nn(CC(=O)OCC(=O)c2cc(C)n(CCC(C)C)c2C)c(C)c1[N+](=O)[O-] 21120491 VLMMHJWPZOMQSX-UHFFFAOYSA-N 404.467 3.299 5 40 HGBB O=C1NC(=O)/C(=C\c2cccc(OC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c2)S1 146480388 RBHZNXNRNRKSCW-LHHJGKSTSA-N 415.339 3.046 5 40 HGBB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1OC 15410653 OYUBQWRGEQJBFI-UHFFFAOYSA-N 421.475 3.195 5 40 HGBB O=C(COc1coc(CN2CCc3ccccc32)cc1=O)Nc1ccc([N+](=O)[O-])cc1 9716503 NETNGDDNTPTQPR-UHFFFAOYSA-N 421.409 3.128 5 40 HGBB COc1ccc(OC)c(Nc2nc(N3C[C@@H](C)C[C@H](C)C3)nc(N)c2[N+](=O)[O-])c1 5031980 UNXYKSBMTXRBLT-RYUDHWBXSA-N 402.455 3.210 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)OCc2cc(-c3ccccc3)no2)cc1[N+](=O)[O-] 24754637 GVCBQWQDPIIGKR-UHFFFAOYSA-N 402.384 3.010 5 40 HGBB Cc1c(Cl)cc(S(=O)(=O)Nc2ccc(Cl)c(C(N)=O)c2)cc1[N+](=O)[O-] 28258998 DXPMBHJCIJJMTN-UHFFFAOYSA-N 404.231 3.110 5 40 HGBB Cc1cccc(C)c1N1CCN(CC[C@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1 52525213 OKCKWRUPHWZSTL-LJQANCHMSA-N 410.474 3.123 5 40 HGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc(C)c2)cc1[N+](=O)[O-] 8433944 GZJPFIJSNDDYRO-UHFFFAOYSA-N 414.414 3.447 5 40 HGBB O=[N+]([O-])c1ccc(N2CCC[C@H]2c2ccsc2)c(S(=O)(=O)N2CCOCC2)c1 48234479 DBQPIKZZUOVESZ-INIZCTEOSA-N 423.516 3.019 5 40 HGBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)CC1 10010435 JUIXEMYYRYXTPL-UHFFFAOYSA-N 416.865 3.477 5 40 HGBB C[C@@H](OC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 27819196 FPHGMMSGBJKJAC-CQSZACIVSA-N 411.414 3.296 5 40 HGBB CN1CCN(c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 408629213 QASCCTMZCKDLNY-UHFFFAOYSA-N 404.854 3.018 5 40 HGBB O=C1C[C@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1cccc(C(F)(F)F)c1 9487251 WHCGBVFKBGBAAT-GOSISDBHSA-N 419.315 3.440 5 40 HGBB Cc1nn(C)c(C)c1[C@@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(F)(F)F 555801152 KQWUXJVDOPKQRK-MRXNPFEDSA-N 400.357 3.205 5 40 HGBB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 4518890 DZGQTFSHJPNMTA-SFHVURJKSA-N 400.412 3.133 5 40 HGBB CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 4580732 QAINEJUFVOVFCC-HNNXBMFYSA-N 402.403 3.256 5 40 HGBB COc1ccccc1[C@H](CNc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])N1CCCC1 6250197 QLFNVYVYGHJWMA-IBGZPJMESA-N 419.503 3.256 5 40 HGBB COC(=O)c1cnc(Sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])n1C 8857243 PGRMBRCHKMXOOU-UHFFFAOYSA-N 406.298 3.193 5 40 HGBB Cc1cccc(NC(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccccc2[N+](=O)[O-])c1C 21336922 FDWCZDOFPJRTKB-KRWDZBQOSA-N 411.458 3.472 5 40 HGBB CC(C)(C)c1ccc(-c2nn3c(SCC(N)=O)nc4ccccc4c3nc2=O)cc1 95944219 MWLVAXARQMMZIC-UHFFFAOYSA-N 419.510 3.180 5 40 HGBB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113886132 FKJDPLZVHAZSMY-UHFFFAOYSA-N 416.814 3.146 5 40 HGBB CCCc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1CCc1ccc(OC)cc1 2204080 YUDUSHAXQCZWHW-UHFFFAOYSA-N 403.482 3.452 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] 12974968 GCKAUCBHRUEUQL-ZDUSSCGKSA-N 410.448 3.104 5 40 HGBB O=C(c1ccc2c(c1)OCCO2)C1CCN(Cn2ncc3cc([N+](=O)[O-])ccc32)CC1 27535194 HXLYYWVGUTTZHJ-UHFFFAOYSA-N 422.441 3.268 5 40 HGBB CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@@H]5C)c(=O)c4cc3c2=O)n1 40398866 DIVOGUQDRRZMQA-YVEFUNNKSA-N 422.514 3.292 5 40 HGBB CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 223590182 WFHJKBMTRMXIFZ-UHFFFAOYSA-N 402.432 3.247 5 40 HGBB CCOC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225069995 BUTAUEUSXIMJJN-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCN(C)CC1 4270912 TVKBNPXOSYBYAA-JXFKEZNVSA-N 413.547 3.258 5 40 HGBB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)cn1 9227305 GMRILBKRSFTEGV-UHFFFAOYSA-N 408.414 3.108 5 40 HGBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 19929316 AIWFSSAKYCZWQK-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)c1 32910660 KOQYRLDLDVIGHJ-LJQANCHMSA-N 416.430 3.110 5 40 HGBB Cc1ccc(OCCOc2cccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])c2)cc1 33880405 NWRCSGPMRYXTLI-JXMROGBWSA-N 409.398 3.320 5 40 HGBB COc1cc(Cl)c(S(=O)(=O)n2cnc3cc([N+](=O)[O-])ccc32)cc1Cl 96305699 DTSZNYOZSSYMJU-UHFFFAOYSA-N 402.215 3.497 5 40 HGBB CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(OC)c(OC)c1 219828662 BUQKLAJVNHFUNV-HNNXBMFYSA-N 404.419 3.267 5 40 HGBB O=[N+]([O-])c1c(O)nc(/C=C\c2cccc(Oc3nc(Cl)ncc3F)c2)nc1O 409344231 ICFSYQFIDPNMIB-PLNGDYQASA-N 405.729 3.341 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 29284865 HIRDMZJOJFNUOO-UHFFFAOYSA-N 409.364 3.451 5 40 HGBB CCc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 9698560 QLSWVTJKQFUNNC-UHFFFAOYSA-N 417.487 3.197 5 40 HGBB CC[C@@H](c1nnnn1CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35290766 FUDROOVZSIPEQJ-NRFANRHFSA-N 421.505 3.097 5 40 HGBB Cc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218354030 RLQNGTMQBZINES-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB O=C(O)CCSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 5015009 KPAVKZTUQFMEGO-UHFFFAOYSA-N 400.416 3.321 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868860 WFYLKWFQJSZDCS-CYBMUJFWSA-N 409.489 3.004 5 40 HGBB Cc1cc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)ccc1[N+](=O)[O-] 5259389 JONWWDRWKLPVHH-UHFFFAOYSA-N 419.441 3.449 5 40 HGBB O=C(Nc1ccc(F)c(F)c1F)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270805 JLHNCYJZOQCZHQ-UHFFFAOYSA-N 403.316 3.474 5 40 HGBB Cc1c(NCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)cccc1[N+](=O)[O-] 12523520 PJMPPXQBBXAPEQ-UHFFFAOYSA-N 402.363 3.023 5 40 HGBB O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3257123 FFTBGPXVRJDKQD-UPVQGACJSA-N 420.465 3.328 5 40 HGBB O=C(NCc1cccc(C(F)(F)F)c1)[C@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 517655240 CVSHVNZFECGRSQ-CYBMUJFWSA-N 411.336 3.128 5 40 HGBB CCN(CC(=O)NC(C)C)C(=O)c1cc([N+](=O)[O-])ccc1Oc1ccc(OC)cc1 40088783 HILDUEIYQUDODI-UHFFFAOYSA-N 415.446 3.382 5 40 HGBB COC(=O)c1ccc(C[N+](C)(C)CC[N+](C)(C)Cc2ccc(C(=O)OC)cc2)cc1 2566572 JAHYVBRFBRTKMX-UHFFFAOYSA-N 414.546 3.113 5 40 HGBB CCOc1cc(/C=C/[N+](=O)[O-])ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 101094887 IKHRXHDMABGSIK-AATRIKPKSA-N 403.303 3.368 5 40 HGBB CC[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(C)cc1 12597098 CNEIRUDHFFPVNV-SFHVURJKSA-N 419.503 3.487 5 40 HGBB Cc1ccc(-c2noc(CCCN3CCN(c4ncccc4[N+](=O)[O-])CC3)n2)cc1 24660974 QJMKOEUROOATSM-UHFFFAOYSA-N 408.462 3.103 5 40 HGBB Cc1c(Cl)cc(S(=O)(=O)NCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] 40105333 TXWDLKQDTKFLLI-UHFFFAOYSA-N 406.851 3.221 5 40 HGBB COc1ccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 59417128 BQLRWKAYKIJCQD-UHFFFAOYSA-N 414.336 3.196 5 40 HGBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc([N+](=O)[O-])cc1 409166824 GSDKCYGTWRAMKZ-UHFFFAOYSA-N 401.360 3.284 5 40 HGBB O=C1NC2(CCCC2)C(=O)N1CCCNc1ccc([N+](=O)[O-])cc1Br 78714603 AZKOJQMDBWBCIN-UHFFFAOYSA-N 411.256 3.024 5 40 HGBB COc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 1807624 AZGZLQNHZLJWNV-UHFFFAOYSA-N 411.414 3.399 5 40 HGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2Cl)cc1 409179509 PFOGXORMGHOLAT-UHFFFAOYSA-N 422.733 3.121 5 40 HGBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(Cl)c(Cl)c1 12764818 PSJFHGHOROESCR-UHFFFAOYSA-N 411.197 3.058 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccn(Cc3ccc(F)cc3Cl)n2)cc1 2804707 HONGJULLJVFXJV-UHFFFAOYSA-N 410.814 3.433 5 40 HGBB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4518944 QQQGNWIKDZWAHP-GOSISDBHSA-N 400.412 3.133 5 40 HGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCc1ccc2c(c1)OCCO2 12536866 XCCDEWPEIQVTDH-UHFFFAOYSA-N 414.461 3.285 5 40 HGBB CC1(C)CC(Nc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)CC(C)(C)N1 12644346 CCLFWHVOVXZMKA-UHFFFAOYSA-N 410.540 3.100 5 40 HGBB CCN(CC)C[C@@H](C)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 58175440 WBCIVGBGZNBXES-MRXNPFEDSA-N 412.556 3.158 5 40 HGBB COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)N2CCCCC2)cc1 5043003 NODHBCAXSKNHFF-HKWRFOASSA-N 409.442 3.387 5 40 HGBB Cc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 409409656 PSVUASSRBVDMTD-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB COc1ccc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)c(OC)c1 4120656 AHVDBWOBPVDSDM-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB O=C(c1ccccc1)[C@@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@@]12C(=O)Nc1ccccc12 2330390 TXJHZJYGLJUAQU-JTHBVZDNSA-N 413.389 3.471 5 40 HGBB CC(C)C(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4774815 FMBKGUAHFQIGDC-LLVKDONJSA-N 413.714 3.350 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(OCCCOc2ccccc2)c([N+](=O)[O-])c1 5315884 AROZSYYZWVDEFT-UHFFFAOYSA-N 408.476 3.473 5 40 HGBB CSc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] 23160358 YURVQLHPFSABFI-SFHVURJKSA-N 419.478 3.259 5 40 HGBB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1n[nH]c2ccc([N+](=O)[O-])cc12 97218378 SOCSLKZKKWBWQD-UHFFFAOYSA-N 401.810 3.213 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(C)c1)S(C)(=O)=O 220509544 OSZINQMQKXJZBO-QGZVFWFLSA-N 405.476 3.395 5 40 HGBB Cc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 409408427 CNJCAPROKGPDSM-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)c1cccc([N+](=O)[O-])c1 7881575 SQBGQSFDQJIACB-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(OCc2ccc(OC)c(F)c2)c([N+](=O)[O-])c1 5347382 DJRCCGDXOJGOAJ-UHFFFAOYSA-N 412.439 3.352 5 40 HGBB COc1ccc(NC(=O)c2cc3c(=O)n4cccc(C)c4nc3s2)cc1[N+](=O)[O-] 6861297 HDKKUSBSBFLPLW-UHFFFAOYSA-N 410.411 3.387 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2O)C1=O)Nc1cccc(F)c1 409239588 ZKQJXKCXAWFSIM-VGOFMYFVSA-N 417.374 3.115 5 40 HGBB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219828042 AJKPTDCKNHZCJI-MRXNPFEDSA-N 416.430 3.409 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712453 WYBLWEPQOVWZMX-INIZCTEOSA-N 411.867 3.432 5 40 HGBB C[C@@H](OC(=O)Cc1csc(-c2ccccn2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 22383375 OQFUFAFOHIEZFE-GFCCVEGCSA-N 412.427 3.226 5 40 HGBB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1cc(C)ccc1[N+](=O)[O-] 36612362 KZSTUVREULLFRV-KBXCAEBGSA-N 404.444 3.279 5 40 HGBB CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@H]1COc2ccccc2O1 13000040 JUIAZLQUKGZPSG-AWEZNQCLSA-N 405.838 3.349 5 40 HGBB CNC(=O)NC(=O)[C@H](OC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1 13149044 DRWCUGNKDPBSRQ-GOSISDBHSA-N 423.381 3.209 5 40 HGBB COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225036693 NDMPXDOFZJDMIN-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CC(C)Oc1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220413248 GBEKWQBPTAWOEX-AWEZNQCLSA-N 421.475 3.175 5 40 HGBB C[C@@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 5711819 KTOMIJZYOVGSAO-MRXNPFEDSA-N 423.469 3.325 5 40 HGBB CCCOC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95681941 FQNJJBAPXZFMQX-UHFFFAOYSA-N 401.287 3.189 5 40 HGBB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220408951 GKBUNTRNYGSFTL-JTQLQIEISA-N 415.830 3.181 5 40 HGBB Cc1cc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)ccc1[N+](=O)[O-] 8549311 JCEQNYYDPNNBID-UHFFFAOYSA-N 401.386 3.463 5 40 HGBB Cc1cc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 22392891 JEIJQDBEJJSCFD-UHFFFAOYSA-N 405.476 3.233 5 40 HGBB CSc1ccc(C(=O)N[C@H](CN2CCOCC2)c2ccccc2)cc1[N+](=O)[O-] 12754118 WVURWRXQVRAOLK-QGZVFWFLSA-N 401.488 3.120 5 40 HGBB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12893293 VEHVBVQJGRGZNZ-QGZVFWFLSA-N 423.878 3.430 5 40 HGBB Cc1nn(-c2ccc(S(N)(=O)=O)cc2)c(C)c1-c1cc([N+](=O)[O-])ccc1Cl 4520427 QPSUAHVKSNNKMN-UHFFFAOYSA-N 406.851 3.365 5 40 HGBB COc1ccc(Cl)cc1NC(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 7210576 KZXBSTYOIDGOHF-UHFFFAOYSA-N 414.805 3.363 5 40 HGBB COc1ccc(NC(=O)CNc2ccccc2C(=O)NCc2ccco2)c([N+](=O)[O-])c1 9339075 SNRLRSVJEFAXHX-UHFFFAOYSA-N 424.413 3.177 5 40 HGBB CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223505494 UOWJQXJXIKAXAA-INIZCTEOSA-N 415.515 3.381 5 40 HGBB Cc1ccc(CNC(=O)CCCc2nnc3n4nc(C)nc4c4ccccc4n23)cc1 4906291 RVGLKIZIULYSDN-UHFFFAOYSA-N 413.485 3.181 5 40 HGBB CCN1CCN(c2c(Cl)cccc2NC(=O)COc2ccccc2[N+](=O)[O-])CC1 9892026 GDHRRCFYNIAMJZ-UHFFFAOYSA-N 418.881 3.408 5 40 HGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 13002489 CLVBNUFSWCIQMX-ZIAGYGMSSA-N 417.487 3.139 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1cc([N+](=O)[O-])ccc1Cl 15638229 XTDOYIAQADUQCY-ZDUSSCGKSA-N 403.822 3.409 5 40 HGBB CC[C@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(C)cc1)n1cncn1 89941934 WYEHBVOAXBSRFE-PZJWPPBQSA-N 409.446 3.058 5 40 HGBB CCOC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225029801 AYCMATCKISGNMQ-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB O=C(NCc1ccnc(N2CCOCC2)c1)c1cc(Cl)c(Cl)c([N+](=O)[O-])c1 32801599 JGBABSBSDYAEMO-UHFFFAOYSA-N 411.245 3.063 5 40 HGBB O=C(COC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)Nc1ccc(F)cc1[N+](=O)[O-] 4988071 DFRLFODWOFUVQU-INIZCTEOSA-N 418.377 3.087 5 40 HGBB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16330625 HKYMMVILLDCNOC-GWCFXTLKSA-N 409.493 3.157 5 40 HGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N1CCC(c2nc(Cn3cncn3)no2)CC1 97377667 IJINLDKVYCLMPG-UHFFFAOYSA-N 423.355 3.020 5 40 HGBB CCOc1ccc(CN(CC)CC(=O)N(C)c2ccc([N+](=O)[O-])cc2)cc1OC 12768511 IBPOWGZHZOYHAD-UHFFFAOYSA-N 401.463 3.487 5 40 HGBB C[C@]1(c2cccc(Br)c2)NC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 5844440 HAXMACJZQILGBB-QGZVFWFLSA-N 404.220 3.325 5 40 HGBB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 32666000 ROEZZCNNHUOKCK-QGZVFWFLSA-N 417.418 3.492 5 40 HGBB Cc1cccc(C)c1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 218272001 CMLQDQZUWMPLRT-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB Cc1c(F)cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 40140170 DYIAFMMSNIJBOQ-UHFFFAOYSA-N 421.450 3.469 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc([N+](=O)[O-])cc1Cl 15638333 HJRXWXDWXLYZSW-ZDUSSCGKSA-N 403.822 3.409 5 40 HGBB CCOC(=O)c1ccc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1 20496102 QVYTVIMUOTUKTL-LFYBBSHMSA-N 408.370 3.473 5 40 HGBB O=C1C[C@@H](C(=O)N2CCCc3cc(F)ccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 106003782 FZPTXNATZOYXBQ-CYBMUJFWSA-N 401.369 3.205 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2O)C1=O)Nc1ccccc1F 408931250 IZVRNBSFIKIEDR-ZSOIEALJSA-N 417.374 3.115 5 40 HGBB Cc1nn(CC(=O)NCc2ccccc2CN2C[C@@H](C)C[C@H](C)C2)c(C)c1[N+](=O)[O-] 48345235 SPAPEEXDSVEILD-HOTGVXAUSA-N 413.522 3.202 5 40 HGBB O=C(O[C@@H]1CCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1716943 WKLGTEJICMXJTJ-IAGOWNOFSA-N 400.343 3.438 5 40 HGBB CN(C)C[C@@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](O)c1ccccc1 58145367 XMLZHAIVQDTSHD-RDTXWAMCSA-N 406.870 3.281 5 40 HGBB COc1ccc(NC(=O)[C@H](C)N2CCc3cc(OC)c(OC)cc3C2)c([N+](=O)[O-])c1 8473062 JMALCEQSHIALIP-ZDUSSCGKSA-N 415.446 3.006 5 40 HGBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl 409264290 OLHQXMXVCZPMMS-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB Cc1ccc(-n2ncc([C@H](C)NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)cc1 32808843 QQCJPYXFNTYSIE-AWEZNQCLSA-N 400.460 3.437 5 40 HGBB COc1cc(OCC(=O)NCc2cccc(CN3CCCCC3)c2)ccc1[N+](=O)[O-] 224687466 PIZIYBMOTUFKCR-UHFFFAOYSA-N 413.474 3.285 5 40 HGBB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2)c1 19928934 PEWUZWPJZROTSP-UHFFFAOYSA-N 415.431 3.128 5 40 HGBB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc([N+](=O)[O-])cc1Cl 4941988 KODHLRNADXZRLR-UHFFFAOYSA-N 409.851 3.431 5 40 HGBB O=C(Nc1ccncc1NC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 9404532 SAJWMBKOTUGJCR-UHFFFAOYSA-N 407.342 3.403 5 40 HGBB Cn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc([N+](=O)[O-])cc1 862152 WEEWMWVBFQKGIN-UHFFFAOYSA-N 409.471 3.462 5 40 HGBB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)c1ccc([N+](=O)[O-])cc1 3024299 MHKXRLKQUQVZJU-UHFFFAOYSA-N 411.197 3.058 5 40 HGBB COc1ccc(CC(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)cc1OC 4120676 LBFYNDYSPWGOEL-UHFFFAOYSA-N 415.471 3.286 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1[N+](=O)[O-] 5842299 HEMHJHRWKOTABU-UHFFFAOYSA-N 416.459 3.325 5 40 HGBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)C[C@H](C)O1 12903386 BKVLFKLBMWTXMY-ISEXYEMMSA-N 409.442 3.496 5 40 HGBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCC[C@H](Cc2nccn2C)C1 89553064 PZMRRKWELFZTSM-UONOGXRCSA-N 405.886 3.263 5 40 HGBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2Cl)c1=N 101098035 UMFRWTPLDOBKCW-UHFFFAOYSA-N 422.872 3.315 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cccc(Cl)c1Cl 225089535 BMDIEXKKBHIWTP-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3/SC(=O)N(c4ccccc4)C3=O)cc21 408532976 OUOMLMNFJDCCQG-CXUHLZMHSA-N 410.411 3.026 5 40 HGBB Cn1nc([N+](=O)[O-])c2c(-c3nc4ccccc4n3C)c(N)n(C3CCCCC3)c2c1=O 4864825 FTXGMKGHLZAQKN-UHFFFAOYSA-N 421.461 3.284 5 40 HGBB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)cc1OCc1cccc([N+](=O)[O-])c1 5255062 NVZPUMHFAFZXJS-UHFFFAOYSA-N 413.361 3.036 5 40 HGBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1 8417051 WBQVBOCSNPNETC-UHFFFAOYSA-N 403.366 3.025 5 40 HGBB O=C(NCc1ccc(C(F)(F)F)cc1)c1cc(N2CCOCC2)ccc1[N+](=O)[O-] 16301968 OYODALJVXSKNEU-UHFFFAOYSA-N 409.364 3.380 5 40 HGBB O=C(NCc1ccccc1)C1CCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])CC1 16506256 MRYSSZNJRZURPS-UHFFFAOYSA-N 401.850 3.417 5 40 HGBB O=C1CCc2cc([N+](=O)[O-])c(N3CCC(NC(=O)CCc4ccccc4)CC3)cc2N1 48279182 DJBYBIUHUJICCG-UHFFFAOYSA-N 422.485 3.197 5 40 HGBB COc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1OC 16043797 WYQKZTGCVBOJNK-XBXARRHUSA-N 420.805 3.461 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 8493837 WTEYUJBNTLWPLH-UHFFFAOYSA-N 411.867 3.433 5 40 HGBB CCc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220276633 NWZWQTQBNOBPRV-AWEZNQCLSA-N 405.476 3.259 5 40 HGBB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc(F)c([N+](=O)[O-])c1 9509125 XPCAZUQBKJRZAK-UHFFFAOYSA-N 421.182 3.457 5 40 HGBB Cc1ccc(-n2nc(C)c3c(=O)c(C(=O)Nc4cccc([N+](=O)[O-])c4)c[nH]c32)cc1 10166812 NSFQLTIEXGAYEQ-UHFFFAOYSA-N 403.398 3.491 5 40 HGBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(Nc2cccc(F)c2)c1[N+](=O)[O-] 20267710 QNZLZTRKHWAOPI-UHFFFAOYSA-N 423.452 3.172 5 40 HGBB COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@@H]([N+](C)(C)C)CC2 1598897 TVELBPKUCOPSHY-KRWDZBQOSA-N 400.495 3.442 5 40 HGBB COc1ccccc1CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 5886907 ZIKIRIXKPKKOHR-UHFFFAOYSA-N 405.476 3.390 5 40 HGBB Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])cc1 24258086 OLVLRZPUNSIXLK-SFHVURJKSA-N 403.866 3.360 5 40 HGBB C[C@@]1(c2cccc([N+](=O)[O-])c2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 31662111 DXANAPJNZWHIKB-KRWDZBQOSA-N 409.320 3.461 5 40 HGBB O=C1CCc2cc([N+](=O)[O-])c(N3CCC(NC(=O)c4ccc(F)cc4)CC3)cc2N1 48279118 VESIUAPFJYTJKG-UHFFFAOYSA-N 412.421 3.017 5 40 HGBB O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103560743 SDGHOJSHRSGDFO-UKRRQHHQSA-N 406.181 3.194 5 40 HGBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccco1 2401147 XCZICUWGAPDUJD-UHFFFAOYSA-N 403.442 3.362 5 40 HGBB CCC[C@@]1(c2ccccc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 2627009 QJFVKZNGATXEMY-NRFANRHFSA-N 411.414 3.209 5 40 HGBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc1OC 5895867 AXWQUOYTIDEERU-UHFFFAOYSA-N 407.448 3.140 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1cccc([N+](=O)[O-])c1 8416498 FVEQRYXIEFWTLO-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB CN(C)CCCN(CCCN(C)C)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 9086979 RNRJUDITNBFLKS-UHFFFAOYSA-N 421.420 3.232 5 40 HGBB O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1ccccc1[N+](=O)[O-] 57688576 UYJYSGIWYIVQLX-UHFFFAOYSA-N 423.498 3.479 5 40 HGBB Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 65591111 IWFYQBYCZHTJJC-XJKSGUPXSA-N 402.476 3.232 5 40 HGBB O=C1c2cccc3c([N+](=O)[O-])ccc(c23)C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100516625 QPVKZNBKOLAJTA-UHFFFAOYSA-N 423.297 3.188 5 40 HGBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 409097901 NWDUYLAQOSOUEF-OVCLIPMQSA-N 414.805 3.088 5 40 HGBB COCCn1c(-c2ccc([N+](=O)[O-])cc2)nc2sc3ccccc3c(=O)c2c1=O 2345237 XYUJDUWKXKLPDK-UHFFFAOYSA-N 409.423 3.193 5 40 HGBB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(OC)c(OC)cc2[N+](=O)[O-])cc1 3362621 MBRMZRVAYSZJFA-LBPRGKRZSA-N 402.403 3.358 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1)S(C)(=O)=O 13711772 VOFHYQLJYBTLIN-INIZCTEOSA-N 411.867 3.432 5 40 HGBB COCCCn1c(Sc2ccc([N+](=O)[O-])cn2)nc2sc3c(c2c1=O)CCC3 23609040 RMLFMNPEWNGPOI-UHFFFAOYSA-N 418.500 3.438 5 40 HGBB C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 32777367 XMSJXJZFCNHVHQ-SNVBAGLBSA-N 401.400 3.434 5 40 HGBB CCN1CCN(c2ccc(Nc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c(C)c2)CC1 57681192 XIWVWMBAGQFKCK-UHFFFAOYSA-N 418.519 3.192 5 40 HGBB CC(C)(C)OC(=O)N[C@@H](c1ccc([N+](=O)[O-])cc1)[C@@H](O)C(=O)OCc1ccccc1 83259271 WKLYRSXBAOLUPM-ZWKOTPCHSA-N 416.430 3.265 5 40 HGBB CCOc1ccc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC 408571605 PEWPRFNQDGBTON-FPKWKJMRSA-N 411.458 3.052 5 40 HGBB C[C@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 20606124 APYCJZULHJNKAO-JTQLQIEISA-N 421.456 3.014 5 40 HGBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1S(=O)(=O)NC(C)C 408700965 PDQMBZKPNMIFAJ-UHFFFAOYSA-N 421.475 3.241 5 40 HGBB CCCNC(=O)c1c(N)n(-c2ccc(F)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 2395940 MNTYQPJBTMALSO-UHFFFAOYSA-N 408.393 3.343 5 40 HGBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)NC3CCCCC3)cc2[N+](=O)[O-])C1 6551268 RIJRQIYBWLEBRG-HNNXBMFYSA-N 403.479 3.437 5 40 HGBB COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCC[N@+]2(C)CCCC[C@H]12 252460749 HWQOIKLWBXMRDS-JTJHSTETSA-N 402.511 3.252 5 40 HGBB biogenic O=C(NCCCCCCNC(=O)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-] 4671145 KQEUCRMDNSGCQD-UHFFFAOYSA-N 414.418 3.223 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 5455359 QDRMSYCNSODLDR-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1c(C)cccc1[N+](=O)[O-] 8092929 XQTQXRXPTKQNIN-UHFFFAOYSA-N 420.853 3.074 5 40 HGBB CSc1cccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10328257 SRUUDOVMULLFDZ-UHFFFAOYSA-N 409.489 3.030 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2O)C1=O)Nc1cccc(F)c1 409232711 OYTSOCYUUVMSSS-VIZOYTHASA-N 417.374 3.115 5 40 HGBB CCOC(=O)c1ccc(N[C@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2330964 OBHYISHLOBRHHM-INIZCTEOSA-N 415.427 3.405 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC(=O)N(C2CCCCC2)C1 4557980 PTYGJPROXBOJRR-LLVKDONJSA-N 410.268 3.477 5 40 HGBB CCN(CCO)CCNc1ccc(CO)c2sc3cc(Cl)ccc3c(=O)c12 5010732 CTALNPUOYPMUNW-UHFFFAOYSA-N 406.935 3.287 5 40 HGBB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9588052 FSJBNNBHPHNJRP-UHFFFAOYSA-N 423.391 3.423 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3[N+](=O)[O-])C2)cc1 22258765 XDDYVVKQIZZCGZ-INIZCTEOSA-N 417.487 3.251 5 40 HGBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc(OC)c3O)S2)cc1 34701677 VJGMJEWPVQAAHM-QHVUTBCBSA-N 401.444 3.471 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 101957439 GEISVKREEAULSR-NYYJTOMGSA-N 412.406 3.029 5 40 HGBB Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(O)c1 408626437 HIUIBWHMXAGLJK-UHFFFAOYSA-N 400.460 3.336 5 40 HGBB Cc1cc2nc3s/c(=C\c4cc(Cl)cc([N+](=O)[O-])c4O)c(=O)n3c2cc1C 409392862 OBLQUFFGZHUWGH-UUASQNMZSA-N 401.831 3.341 5 40 HGBB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@H]3c2cccc([N+](=O)[O-])c2)CCO1 5862068 CCVVHHAPYLFUDF-CJNGLKHVSA-N 418.475 3.402 5 40 HGBB CCCCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 6320238 CICVNUCITBUBRF-UHFFFAOYSA-N 405.476 3.097 5 40 HGBB Cn1c(CCNC(=O)c2ccccc2F)nnc1SCc1ccccc1[N+](=O)[O-] 7871070 GYMQFZBHWSHVTR-UHFFFAOYSA-N 415.450 3.127 5 40 HGBB CCOC(=O)[C@@H]1CSCCN1C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12536925 FDZOMOAGYZFULS-SFHVURJKSA-N 421.519 3.096 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(CN2CCCCC2)cc1 15357104 CWOJRXQBMQFOBE-UHFFFAOYSA-N 403.504 3.368 5 40 HGBB COc1ccc(COC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)cc1F 32745484 LHVXCCLZEGLNJI-UHFFFAOYSA-N 404.350 3.174 5 40 HGBB O=C1CCCN1Cc1ccccc1NC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 58316879 MLXQKGMXACTWSL-UHFFFAOYSA-N 423.473 3.071 5 40 HGBB Cc1ccccc1Nc1oc2c(c1-c1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 95116744 DAFPDMCXHSTJNC-UHFFFAOYSA-N 406.398 3.457 5 40 HGBB CCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224980069 GWDKSWHYSLKOCF-INIZCTEOSA-N 413.474 3.089 5 40 HGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408683970 MOHVKDCNMLZBGZ-PKOBYXMFSA-N 419.437 3.494 5 40 HGBB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1O 5754648 LAWDOIQKPHHPPE-XVNBXDOJSA-N 406.778 3.158 5 40 HGBB COC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 5845962 IIGGGPLKXHNVAE-OAHLLOKOSA-N 407.835 3.474 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(Nc3ccc4c(c3)OCO4)c([N+](=O)[O-])c2)CC1 6552325 OYFQICCHIUSQFI-UHFFFAOYSA-N 419.459 3.488 5 40 HGBB Cc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 6967175 PPVBUDMNMRYNIA-UHFFFAOYSA-N 418.906 3.394 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715740 MMWUCUDVXZQYGQ-INIZCTEOSA-N 409.439 3.226 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409352439 ZYAONIKJGSXEAW-CXUHLZMHSA-N 413.367 3.422 5 40 HGBB CCc1nnc(NC(=O)[C@@H](NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C(C)C)s1 3244785 DLSRCIAAVKLQIB-ZDUSSCGKSA-N 411.871 3.055 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])C[C@@H]2C)cc1 4687540 UVKJFDJDBXKUIG-AWEZNQCLSA-N 409.895 3.456 5 40 HGBB COc1ccc(NC(=O)CSc2nnc3c(n2)[nH]c2ccccc23)c([N+](=O)[O-])c1 9056866 GGKWDMXHVKFODM-UHFFFAOYSA-N 410.415 3.154 5 40 HGBB Cn1ccnc1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F 12551062 FXFOCHAVTIAXRV-QGZVFWFLSA-N 404.423 3.072 5 40 HGBB CC(=O)Nc1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 13149795 DXJFPUVBJWIFNS-UHFFFAOYSA-N 412.431 3.085 5 40 HGBB CC(C)[C@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57670642 IAYOTGBNDZXZGI-OAQYLSRUSA-N 421.505 3.149 5 40 HGBB O=C(NC1CCN(Cc2ccccc2)CC1)c1cn[nH]c1-c1ccc([N+](=O)[O-])cc1 72329428 JMPDFNDJXKTCTL-UHFFFAOYSA-N 405.458 3.379 5 40 HGBB COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(OC)c(OC)cc21 101035623 RPZQFCNUFZJUCP-ZCXUNETKSA-N 423.472 3.077 5 40 HGBB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@]31C 4073631 SBEZFIPFTGBYJL-NRFANRHFSA-N 406.398 3.325 5 40 HGBB biogenic O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 8514236 WXCVYTKCSVILGC-QGZVFWFLSA-N 404.444 3.282 5 40 HGBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)CC1 17090887 QGNHXBTYBQTPAQ-UHFFFAOYSA-N 416.865 3.477 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cccs2)C1 19868863 WFYLKWFQJSZDCS-ZDUSSCGKSA-N 409.489 3.004 5 40 HGBB CCC(C)(C)NC(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 24811969 XKFHWCCDSUQLHV-UHFFFAOYSA-N 402.417 3.040 5 40 HGBB COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225026840 CUSGYWQMFXLIPZ-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2Cl)CC1 408629330 XELMUXRKGQWUGD-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB C[C@H]1CCCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)C1 10541181 DTLDOTMONPTIDW-INIZCTEOSA-N 417.487 3.049 5 40 HGBB COc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1[N+](=O)[O-] 26535530 BVHSWMRFSBLTNN-KBPBESRZSA-N 413.430 3.105 5 40 HGBB COc1ccc(C(=O)NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 12754771 XIDZYZOCCJTJAS-AWEZNQCLSA-N 407.426 3.364 5 40 HGBB CCN1CCC[C@@H]1CN/C=C1/C(=O)N(c2ccccc2[N+](=O)[O-])C(=O)c2ccccc21 20503345 QMMMSFPNYVHQDN-ORMOWBNMSA-N 420.469 3.197 5 40 HGBB COC(=O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113883997 JNLAKJBOOGOQPE-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB O=C(CCCC(=O)Oc1ccc(F)cc1[N+](=O)[O-])Oc1ccc(F)cc1[N+](=O)[O-] 2534523 FJMHRXKWXFMIQE-UHFFFAOYSA-N 410.285 3.463 5 40 HGBB COc1ccc(NC(=O)Cc2nnc(SCc3ccccc3[N+](=O)[O-])n2C)cc1 7871083 HYBPMKIGTYCAPB-UHFFFAOYSA-N 413.459 3.205 5 40 HGBB COc1ccc(NC(=O)Cn2nc(COc3ccccc3)oc2=S)c([N+](=O)[O-])c1 409174247 MITIAHANJKGUFW-UHFFFAOYSA-N 416.415 3.340 5 40 HGBB CCn1c(SCc2cccc([N+](=O)[O-])c2C)nc2cc(S(N)(=O)=O)ccc21 40127534 VANWWQWMDOBFJZ-UHFFFAOYSA-N 406.489 3.213 5 40 HGBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2F)c(F)c1F 17092614 MYYMLQCGBWOLDA-UHFFFAOYSA-N 421.303 3.426 5 40 HGBB O=C(COC(=O)c1cc(Cl)ccc1[N+](=O)[O-])Nc1ccc2c(c1)OC(F)(F)O2 3350624 KYKYFCYQGFOQDV-UHFFFAOYSA-N 414.704 3.365 5 40 HGBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)CCC2 4840220 PFFAFEFCKOQFDT-UHFFFAOYSA-N 409.442 3.479 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Cl)cc1 7881387 YJIUNFYPZKBBHC-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB Cc1ccc2nc3c(cc(C(=O)NCc4ccco4)c(=N)n3C3CCCC3)c(=O)n2c1 100512798 OIZQVTBUZIXHPS-UHFFFAOYSA-N 417.469 3.075 5 40 HGBB Cc1cc(Cl)ccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406506 PFJLLGVSLXKPHA-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2cccc(Cl)c2)no1 223596433 YRAHTVAIVFHYLV-UHFFFAOYSA-N 408.823 3.085 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Cl 408660695 BYOPSAYRXURIDY-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)OCc3ccc([N+](=O)[O-])cc3)CC2)cc1 1058822 NMSHAVNWUQUBMP-UHFFFAOYSA-N 418.471 3.047 5 40 HGBB C[C@H](OC(=O)c1cc(N2CCOCC2)ccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12 16319441 RSJNSQFPYNLDOM-AWEZNQCLSA-N 423.425 3.341 5 40 HGBB CNS(=O)(=O)c1ccc(NC2CCN(c3cc(C)ccc3F)CC2)c([N+](=O)[O-])c1 96003739 MJMNAGRIRBMPHC-UHFFFAOYSA-N 422.482 3.031 5 40 HGBB Cn1ccnc1Sc1ccc(/C=C(\C(N)=O)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-] 9662453 FVHFLKRDNKUFCM-JLHYYAGUSA-N 420.454 3.382 5 40 HGBB O=C(COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 409002324 NFIBSDZYZNISNH-GOSISDBHSA-N 412.398 3.122 5 40 HGBB O=C(c1cn(-c2ccccc2Br)nn1)N1CCc2ccc([N+](=O)[O-])cc21 40073959 ZDSLDJWCIIYJIF-UHFFFAOYSA-N 414.219 3.141 5 40 HGBB Cc1c(N(CC(=O)Nc2ccc(OC(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220031155 XSVYBGWZPUSQOV-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB C[C@H](OC(=O)[C@@H]1Oc2ccccc2O[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 10956036 HAYYEEQTTHSUAD-NVGCLXPQSA-N 411.370 3.478 5 40 HGBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)COc1ccccc1[N+](=O)[O-] 9190277 ZWGAFIREABEFFI-UHFFFAOYSA-N 424.442 3.395 5 40 HGBB O=[N+]([O-])c1ccc(COc2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])cc2)cc1 409311608 BIZWZKDINUODAC-YHYXMXQVSA-N 410.342 3.454 5 40 HGBB CCOc1ccc([C@H](N)c2n[nH]c(COc3ccc([N+](=O)[O-])cc3)n2)cc1OCC 95534560 YCWQUPWIOMDKCN-IBGZPJMESA-N 413.434 3.137 5 40 HGBB Cc1cc(C(=O)Cn2cnc3c(cnn3-c3ccccc3[N+](=O)[O-])c2=O)c(C)s1 32831868 BJMZTWPIDYMIHV-UHFFFAOYSA-N 409.427 3.052 5 40 HGBB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 409068196 SZXUZEUQNDOSPL-XBDQXEDDSA-N 402.384 3.453 5 40 HGBB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220338456 UWIRPDDHQFPVSM-AWEZNQCLSA-N 421.475 3.013 5 40 HGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(SC)cc1 224988226 KNDXAGYQCWRPCG-UHFFFAOYSA-N 410.473 3.075 5 40 HGBB O=C(Nc1nnc(-c2ccc3c(c2)OCCO3)o1)c1cc([N+](=O)[O-])ccc1Cl 4107190 JNUDUVUHWGLAOO-UHFFFAOYSA-N 402.750 3.322 5 40 HGBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 8433630 PAMMYTPYLABNDV-UHFFFAOYSA-N 400.387 3.203 5 40 HGBB Cc1nn(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)c(=S)n1-c1ccccc1 56552784 WXOWIYHCQLVGRC-UHFFFAOYSA-N 410.503 3.400 5 40 HGBB O=[N+]([O-])c1ccccc1N1CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)CC1 6510685 HXBIWCYLPLGZSI-UHFFFAOYSA-N 415.393 3.125 5 40 HGBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)NCC1(N2CCCCC2)CCCCC1 22189682 KWIPMXBFDVWFNV-UHFFFAOYSA-N 416.522 3.020 5 40 HGBB O=c1[nH]c(O)nc(/C=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)c1[N+](=O)[O-] 35377441 QDJHOXXGXVFMLC-GORDUTHDSA-N 404.722 3.376 5 40 HGBB CCOc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])cc1OC 12776379 UYQVTXMRFBNXQC-QGZVFWFLSA-N 405.426 3.174 5 40 HGBB COCC(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 12527460 CQDNPIKKYJOMMF-UHFFFAOYSA-N 415.449 3.378 5 40 HGBB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)Nc1ccccc1[N+](=O)[O-] 5787924 KEECOAVLALSXKP-UHFFFAOYSA-N 409.354 3.236 5 40 HGBB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1[N+](=O)[O-] 7988127 DCDJBNKEJDNGQE-UHFFFAOYSA-N 407.308 3.455 5 40 HGBB CCN1C(=O)[C@@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21 8921784 ZDHDMPCKHOBTOY-GOSISDBHSA-N 419.231 3.184 5 40 HGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(Br)cc2F)C1=O 9463771 RRBRGKJQICOQED-KRWDZBQOSA-N 422.210 3.464 5 40 HGBB Cc1nnc2sc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nn12 9668151 CDHGTIHYZJDCLA-UHFFFAOYSA-N 410.415 3.087 5 40 HGBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 12989514 AWCHSCANTQKSOP-UHFFFAOYSA-N 404.473 3.331 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715729 XLAJFHKUAHZTFV-QGZVFWFLSA-N 409.439 3.226 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 220379806 LREWHNFMLWIICZ-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1cccc(C)c1)S(C)(=O)=O 220508041 CXECUIMJQNDUGW-KRWDZBQOSA-N 421.475 3.095 5 40 HGBB CCc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224648217 HLLZRFXAYKGCOH-OAHLLOKOSA-N 419.503 3.109 5 40 HGBB COC(=O)C(=Cc1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)C(=O)OC 409081217 NDQUESRCAQHPMX-UHFFFAOYSA-N 402.315 3.025 5 40 HGBB Cc1cc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 108375362 YMDLSHALTRZRRG-XSWJXKHESA-N 411.462 3.218 5 40 HGBB COc1ccc(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c(OC)c1 2107541 JNSXOVUZTMHVDG-KRWDZBQOSA-N 414.478 3.388 5 40 HGBB biogenic O=C(c1cc2cc([N+](=O)[O-])ccc2oc1=O)N1CCN(C/C=C\c2ccccc2)CC1 19863528 WWGLYYFBGKRSDN-DAXSKMNVSA-N 419.437 3.172 5 40 HGBB CCc1ccccc1NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513987 KWJGIBCHCBSAMW-SFHVURJKSA-N 405.476 3.341 5 40 HGBB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 222890019 INOCAARSBHZXPV-AWEZNQCLSA-N 403.866 3.344 5 40 HGBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Cl 3274977 APDCBDAAIJRVEA-UHFFFAOYSA-N 417.727 3.386 5 40 HGBB C[C@H]1CCc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2C1 6911953 YEKXKJMVRRQQRN-LBPRGKRZSA-N 402.476 3.265 5 40 HGBB O=C(O)c1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 9870417 OLESTMQPEVKURT-AWEZNQCLSA-N 406.803 3.371 5 40 HGBB CN(C)[C@H](CNC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc12 10333608 RYLLLUGJXUEGBO-HXUWFJFHSA-N 424.432 3.245 5 40 HGBB COc1ccc(Oc2cc(N3C(=O)[C@H]4[C@@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 13960412 XNGUJDZEBTVAIX-RDGPPVDQSA-N 410.382 3.063 5 40 HGBB CCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc21 101094398 DOCSKIUJARZZJZ-UHFFFAOYSA-N 421.888 3.122 5 40 HGBB COc1ccc(C)cc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102833875 WVWMMHDSSLGIRX-LDSOLPTJSA-N 411.462 3.438 5 40 HGBB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 408583750 JQSSTRUUCQVZNO-UHFFFAOYSA-N 405.476 3.163 5 40 HGBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)cc1OCc1cccc([N+](=O)[O-])c1 5255061 DNCBWBUZPJTHCV-UHFFFAOYSA-N 409.398 3.205 5 40 HGBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C 22348323 PRGNTCUPCOZCLN-IBGZPJMESA-N 419.503 3.245 5 40 HGBB O=c1c(Nc2ccc([N+](=O)[O-])cc2)nnc(SCc2ccco2)n1-n1cccc1 28536279 KOHWBEWYQSDVHB-UHFFFAOYSA-N 410.415 3.288 5 40 HGBB Nc1nc(Nc2ccccc2)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 61927205 UDEZQCOVNKJTKX-UHFFFAOYSA-N 405.462 3.033 5 40 HGBB CC[C@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222530833 XIAROWTWYXOVDX-GOSISDBHSA-N 419.503 3.106 5 40 HGBB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(I)c1 409374833 AHLJAGYZKKSXFJ-UHFFFAOYSA-N 412.139 3.150 5 40 HGBB COc1ccc([N+](=O)[O-])cc1OCC(=O)Nc1cc2c(cc1Cl)OCCCO2 9752065 KXIYVCLRARUKAA-UHFFFAOYSA-N 408.794 3.436 5 40 HGBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccccc2[N+](=O)[O-])CC1 10010425 JOPKACQQOCCJHU-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)Nc2cc(Cl)ccc2-n2cncn2)c1C 32810990 CYPDTTCYGWARNZ-UHFFFAOYSA-N 407.839 3.247 5 40 HGBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c(C)c1 218236172 KRCPOIKDUDSHNY-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223023660 IVICGKPXEDNDCX-WOJBJXKFSA-N 423.498 3.399 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1ncccn1 2345542 UOTUEXQDXPPBOA-QGZVFWFLSA-N 400.350 3.241 5 40 HGBB CSc1ccccc1NC(=O)CN(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 12549496 WMMQHZWHNNRYPA-UHFFFAOYSA-N 422.894 3.479 5 40 HGBB CC[C@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 102918337 KIPHTHYSVQAMJV-NPKLKWGPSA-N 417.573 3.270 5 40 HGBB CC[C@H](C(=O)Nc1cccc(OC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222532834 UCSSFMJIUZUZOL-QGZVFWFLSA-N 421.475 3.095 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H]1CCCc2ccccc21 5893846 FXRWZHVJAPSSCB-GOSISDBHSA-N 417.487 3.105 5 40 HGBB COc1ccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1OC 6176102 GSAHIEVOWSJYFU-YGNAEDSMSA-N 400.387 3.196 5 40 HGBB O=C(OCc1cc(Cl)c2c(c1)OCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12522303 IBUZKJWAOFSYHA-UHFFFAOYSA-N 420.805 3.171 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 29285204 WKWYDEAARHANOU-UHFFFAOYSA-N 409.364 3.451 5 40 HGBB COc1ccccc1N1C(=O)c2cccc3c(NCCCO)c([N+](=O)[O-])cc(c23)C1=O 95470790 NGHADAJRHYQHMU-UHFFFAOYSA-N 421.409 3.352 5 40 HGBB Cc1c(Cl)cccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406883 RUVWRAJWVDGVDL-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB Cc1ncc([N+](=O)[O-])n1CCO[C@H](NC(=O)c1ccccc1)C(Cl)(Cl)Cl 844856 IFBWEKPJYMXQBC-AWEZNQCLSA-N 421.668 3.243 5 40 HGBB CCOC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 898381 ZRZFFVAKWKTLLS-SWLSCSKDSA-N 406.464 3.076 5 40 HGBB COc1cc(C(=O)NCCc2cccc3cccnc23)c([N+](=O)[O-])c(OC)c1OC 14202381 KGZKVGREFHMROY-UHFFFAOYSA-N 411.414 3.141 5 40 HGBB Cc1ccc(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1NS(C)(=O)=O 32760159 MPIKZMVGNUVMAZ-UHFFFAOYSA-N 411.867 3.200 5 40 HGBB CCCn1c(=N)c(C(=O)Nc2cc(C)ccc2C)cc2c(=O)n3ccccc3nc21 101158843 CKKUKPUHZHEJIH-UHFFFAOYSA-N 401.470 3.408 5 40 HGBB CCOc1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220393842 OVXYERCWDVWZAY-AWEZNQCLSA-N 421.475 3.095 5 40 HGBB COc1ccc(Cl)cc1NC(=O)CN(C)[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1 6587705 ZBRQFQVPOKLBGK-GFCCVEGCSA-N 420.853 3.154 5 40 HGBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(NC2CCCCC2)c1[N+](=O)[O-] 20267096 KFASVHPJRXIIDN-UHFFFAOYSA-N 411.510 3.034 5 40 HGBB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 32868854 PCWWCBYUWJYDFJ-ZDUSSCGKSA-N 419.503 3.373 5 40 HGBB CN(C[C@H](O)COc1ccc(C(F)(F)F)cc1)c1nc2sccn2c1[N+](=O)[O-] 40155567 MNPQQFYPQRWGOI-NSHDSACASA-N 416.381 3.199 5 40 HGBB O=C(O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 113890275 YUAWTWXREDVCFQ-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1ccccc1O 409412312 HZRFKCBTNZPKNY-UHFFFAOYSA-N 417.422 3.449 5 40 HGBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2405907 HTKXJFDLCSINGU-UHFFFAOYSA-N 413.437 3.465 5 40 HGBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2421731 VLJZUPQTEHUXJW-INIZCTEOSA-N 421.501 3.208 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 4318625 ASQRVIWSKZPBNU-OAHLLOKOSA-N 408.863 3.078 5 40 HGBB C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 12554488 UIXFQHPWTLFMLJ-CQSZACIVSA-N 402.882 3.491 5 40 HGBB Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C 17089901 AMYRDUXFYPTURZ-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB COc1ccc(-c2nsc(NC(=O)COc3ccc([N+](=O)[O-])cc3)n2)cc1OC 27793608 ZNVAUPIDFGPRSN-UHFFFAOYSA-N 416.415 3.148 5 40 HGBB Cc1ccc(OCc2nn3c(CN4CCCCCC4)nnc3s2)c([N+](=O)[O-])c1 71260604 CDGWNJVUARSNSO-UHFFFAOYSA-N 402.480 3.357 5 40 HGBB CC(=O)Nc1ccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)cc1 6073778 PIDFUUJBIASRMV-UHFFFAOYSA-N 420.337 3.415 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccccc2)o1 6544179 XMMDEEZBEMLIEX-UHFFFAOYSA-N 400.416 3.308 5 40 HGBB Cc1cc(O)c(CC(Cc2c(O)cc(C)oc2=O)c2cccc([N+](=O)[O-])c2)c(=O)o1 16756405 UCYXZQFSDNYZDO-UHFFFAOYSA-N 413.382 3.098 5 40 HGBB CC[C@@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222524420 YNJJMPYWNQFUBZ-INIZCTEOSA-N 413.402 3.056 5 40 HGBB CCc1nnc2sc(-c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)nn12 9252406 BCCIKXDPWMQRQM-UHFFFAOYSA-N 424.442 3.341 5 40 HGBB O=[N+]([O-])c1ccc([C@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 111999819 JBZHDAQSKYYRJM-INIZCTEOSA-N 422.792 3.092 5 40 HGBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cccc([N+](=O)[O-])c1 409139565 BBRTWTZQHMQWEY-UHFFFAOYSA-N 414.403 3.029 5 40 HGBB COc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 226353811 CZOHIJSEJJCWIA-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 10297146 MVRQWZMNRJACLA-UHFFFAOYSA-N 421.453 3.453 5 40 HGBB O=C(OCc1c(F)c(F)c(F)c(F)c1F)c1cc2c(cc1[N+](=O)[O-])OCCO2 8408667 CQITUVZBWLKVAM-UHFFFAOYSA-N 405.231 3.419 5 40 HGBB COc1cc(NC(=O)COC(=O)COc2c(C)cccc2C)c(C)cc1[N+](=O)[O-] 5981403 QCFKNEJRLZWKET-UHFFFAOYSA-N 402.403 3.089 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(NC(C)=O)c1 223768151 BCFGBQKGCSVLLS-UHFFFAOYSA-N 411.461 3.085 5 40 HGBB CCc1ccc([C@H]2c3c(-c4ccc([N+](=O)[O-])cc4)nnc(O)c3Nc3nnnn32)cc1 10296277 VIKGUWIXRGKDNI-SFHVURJKSA-N 416.401 3.001 5 40 HGBB C[C@@H](c1nc(-c2ccccc2)no1)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 32823971 IWVJPDQZLOEEJQ-HNNXBMFYSA-N 419.445 3.176 5 40 HGBB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])cc1OCC 4846282 HMUNBZLXMBPPBT-UHFFFAOYSA-N 418.402 3.196 5 40 HGBB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 24981289 FKTFREQOFJVEIJ-LBPRGKRZSA-N 410.213 3.051 5 40 HGBB C[C@@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 13040291 DUMOYNRQMGGHRC-OAHLLOKOSA-N 402.882 3.248 5 40 HGBB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)o1 19928482 MFDZYMLVOPPVFB-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB Cc1nn(-c2cc(N3CCOCC3)c(Cl)cc2[N+](=O)[O-])c(=O)c2ccccc12 20343712 VRVUBRBWKJSDOE-UHFFFAOYSA-N 400.822 3.092 5 40 HGBB COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c(O)c1 1279995 YXOQQELLLVAKEN-MRXNPFEDSA-O 400.451 3.085 5 40 HGBB biogenic Cc1nnc(S[C@@H](C)C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1C 9166860 BUGAYBCQCLSRRG-VIFPVBQESA-N 404.477 3.275 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(Cl)c1C)S(C)(=O)=O 10366212 VLUBASRTVQYUFJ-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 13610525 HJSPQUVOZWLNDA-UHFFFAOYSA-N 403.460 3.258 5 40 HGBB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223023535 IVICGKPXEDNDCX-UXHICEINSA-N 423.498 3.399 5 40 HGBB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)cc1 223762638 LODPWRCZVNCSQE-UHFFFAOYSA-N 402.432 3.082 5 40 HGBB O=C(c1cccc(I)c1)c1cc2c(cc1[N+](=O)[O-])OCCO2 9972078 VBNMDPWFRRCJOU-UHFFFAOYSA-N 411.151 3.202 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CC(=O)N(c2ccccc2Br)C1 12553719 MJHULIVJYXXZCO-LLVKDONJSA-N 404.220 3.349 5 40 HGBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 57333382 TUCPIUXUJPYQHZ-UHFFFAOYSA-N 419.821 3.124 5 40 HGBB O=C(c1ccc(Cl)cc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCC1 89780839 ZFBNKKLNGIOQQH-UHFFFAOYSA-N 423.878 3.426 5 40 HGBB CCOC(=O)c1ccnc(N2CCN([C@@H](C)c3cccc(F)c3)CC2)c1[N+](=O)[O-] 95456934 TXCADFWKLRURFM-AWEZNQCLSA-N 402.426 3.189 5 40 HGBB COc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 222603350 QETOERSVPSMIMA-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2Br)sc2c1CCC2 6861888 IWEAURTWKANUPK-UHFFFAOYSA-N 410.249 3.259 5 40 HGBB O=C(Nc1ccccc1O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c1 1022690 HJOKPMVCBHUXQL-UHFFFAOYSA-N 403.350 3.353 5 40 HGBB Cc1cc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)ccc1[N+](=O)[O-] 12793224 APIDWXMXYYLHJB-UHFFFAOYSA-N 417.487 3.008 5 40 HGBB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224486521 OSWNDHQHVCYKFU-GOSISDBHSA-N 411.502 3.369 5 40 HGBB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224849507 YYRHRLWKKUTBMR-OAHLLOKOSA-N 401.438 3.220 5 40 HGBB CC[C@@H](C(=O)Nc1c(C)cccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513497 OOHZYDWFQZKEKT-KRWDZBQOSA-N 405.476 3.395 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 1315671 ZNOADRSMXVDYKA-MHTWAQMVSA-N 417.421 3.008 5 40 HGBB CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12655002 KMXSEUHGMWLEHI-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)NC(=O)c1cccc([N+](=O)[O-])c1 3335743 WOVQLSZUWCNXOA-UHFFFAOYSA-N 414.389 3.046 5 40 HGBB COc1ccc([C@@H](CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)NC(C)=O)cc1 10904698 KUWUUUMEDQNUSD-LJQANCHMSA-N 419.865 3.483 5 40 HGBB CCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224557313 VCJZWUCIAHDIEF-IBGZPJMESA-N 413.474 3.089 5 40 HGBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccc(F)cc4)c(=N)n(C(C)C)c3nc12 101158873 SYOUXJSRVDIRFT-UHFFFAOYSA-N 419.460 3.087 5 40 HGBB CC1CCN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)CC1 4839901 UUBSLQLWAGFBAX-UHFFFAOYSA-N 403.479 3.391 5 40 HGBB CC1CCC(NC(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 5711087 ZQUUNGVCGZJKMM-UHFFFAOYSA-N 403.479 3.437 5 40 HGBB Cc1c(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)cccc1[N+](=O)[O-] 6414913 KYNPHGLNYRPZSF-UHFFFAOYSA-N 410.474 3.460 5 40 HGBB Cc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)c1 8414560 LWZSHDAMDILCDL-UHFFFAOYSA-N 413.430 3.421 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 12911821 SKWITLJYYDVGTI-UXBLZVDNSA-N 401.444 3.095 5 40 HGBB C[C@@H]1CCCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)C1 13669762 SLXIPQFSAODOFQ-MRXNPFEDSA-N 417.487 3.049 5 40 HGBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2)c1[N+](=O)[O-] 19827963 RVXNJUVKTIAOTR-UHFFFAOYSA-N 405.462 3.033 5 40 HGBB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2ccccc2[N+](=O)[O-])CCO1 96118373 UKHFDAHBTFYATG-BDJLRTHQSA-N 418.475 3.402 5 40 HGBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1C 218242721 QUTBZVAPAROLDY-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB O=C(Nc1ccc(-c2ccc(N3CCOCC3)nn2)cc1)c1ccc([N+](=O)[O-])cc1 5259365 COMFBJMERDILCJ-UHFFFAOYSA-N 405.414 3.141 5 40 HGBB O=[N+]([O-])c1ncccc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 23381040 FRCVNPZRHKOSSO-UHFFFAOYSA-N 413.459 3.108 5 40 HGBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 409021370 DPUGZNSQAKLXTE-OVCLIPMQSA-N 414.805 3.088 5 40 HGBB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409136715 UREDOINIOBEURH-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB Cc1nn(CCc2nnc(Nc3ccn(Cc4ccccc4)n3)s2)cc1[N+](=O)[O-] 2731534 YJYUVSCGFUYGBP-UHFFFAOYSA-N 410.463 3.182 5 40 HGBB COc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 6638259 RYGULGIHTJFBFS-LBPRGKRZSA-N 420.853 3.154 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2ccc(OC3CCN(C)CC3)cc2)cc1[N+](=O)[O-] 216941415 LOJQXFDGTGJMOW-UHFFFAOYSA-N 405.476 3.177 5 40 HGBB Cc1ccc(N2CCN(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)CC2)cc1 5570890 UZZJXAYXMAFTEA-UHFFFAOYSA-N 423.517 3.361 5 40 HGBB C[C@@H]1C[C@@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)O1 32736578 FZGVUKLDWOTVFV-MEBBXXQBSA-N 416.352 3.077 5 40 HGBB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccccc1[N+](=O)[O-] 940460 AJYGBLZZDRPIML-SFHVURJKSA-N 406.402 3.123 5 40 HGBB COc1ccc(OCCCC(=O)O[C@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4243502 JXAAFRKVCWWHQW-CQSZACIVSA-N 402.403 3.333 5 40 HGBB CC(=O)N1CCC(N[C@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 15501083 LZFSYWKVZJYCMX-NRFANRHFSA-N 410.474 3.184 5 40 HGBB COc1cc(N(C)S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)c(OC)cc1Cl 225092974 JLQFCHFNDHZTBI-UHFFFAOYSA-N 400.840 3.399 5 40 HGBB Cc1c(NS(=O)(=O)c2ccc(NC(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] 408584717 UCSYGLDUHIUGHV-UHFFFAOYSA-N 406.464 3.482 5 40 HGBB O=C(O)c1cccc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCCO)C3=O)c1 408992806 CCWLWWSGCKOQDM-UHFFFAOYSA-N 420.377 3.092 5 40 HGBB NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1 16450592 CFJDAFNDGULBOZ-XYOKQWHBSA-N 413.411 3.154 5 40 HGBB Cc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 222556267 DGJFQSCCOLENCM-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 23106285 AXQCTTVJJKVDGO-SFHVURJKSA-N 407.829 3.191 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187221 PHDSSRNIJJQJRN-GFCCVEGCSA-N 415.880 3.102 5 40 HGBB C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCOCC1 23182304 BHBJGJZKUKLUFC-GUYCJALGSA-N 406.533 3.405 5 40 HGBB CN(Cc1ccc(Br)s1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24396778 KRFBMKPRTMCGRV-UHFFFAOYSA-N 422.264 3.272 5 40 HGBB CCOc1cc2c(cc1COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)O[C@H](C)C2 24710504 FOGIMHQZIABQJR-GFCCVEGCSA-N 415.398 3.461 5 40 HGBB C[C@H](OC(=O)c1ccc(N2CCCCC2=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1 27819204 FPHGMMSGBJKJAC-AWEZNQCLSA-N 411.414 3.296 5 40 HGBB CCOC(=O)c1cc(C(=O)NCc2ccc(OCC)c(OC)c2)cc([N+](=O)[O-])c1 40089407 IPJOUEZQOCZXCL-UHFFFAOYSA-N 402.403 3.109 5 40 HGBB COc1ccnc(N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 40155597 OPCOIGAHMCQIQU-UHFFFAOYSA-N 417.775 3.392 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)NCC(C)C)cc1 408582077 BJZLHUDBFGZJFZ-UHFFFAOYSA-N 406.464 3.482 5 40 HGBB O=C(Cn1nnc(-c2cccc(C(F)(F)F)c2)n1)Nc1cc([N+](=O)[O-])ccc1F 2663210 BNNXDBFNEOYXHI-UHFFFAOYSA-N 410.287 3.045 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 20611779 DRISFWYWELZQQQ-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB COCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624449 NBABOBUUKDUTSG-CQSZACIVSA-N 415.449 3.122 5 40 HGBB biogenic COc1ccc2c(CCNC(=O)[C@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c[nH]c2c1 20648642 HYBNHXWJRRKDIW-INIZCTEOSA-N 423.473 3.055 5 40 HGBB CC[C@H](C(=O)N1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526310 FQQORPMRQMBYBI-GOSISDBHSA-N 417.487 3.119 5 40 HGBB CN(C)C(=O)[C@@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 6847346 VEKNVALHVZSWQX-HNNXBMFYSA-N 407.220 3.344 5 40 HGBB COc1ccc(Br)cc1S(=O)(=O)N(C)Cc1ccc([N+](=O)[O-])cc1 27914389 ADFNSICWDDXSSW-UHFFFAOYSA-N 415.265 3.187 5 40 HGBB CN(C)n1ccc2nc3ccn(-c4cc(Cl)cc(Cl)c4)c(=O)c3cc2c1=O 40398696 ZEROMAYNCPJKOD-UHFFFAOYSA-N 401.253 3.205 5 40 HGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 5071742 JXWVFXYLZUSJOP-OAHLLOKOSA-N 408.863 3.078 5 40 HGBB Cc1c(I)cc(I)c(C)c1[N+](=O)[O-] 5601223 ZJEQQNHJRBMDJI-UHFFFAOYSA-N 402.957 3.421 5 40 HGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc([N+](=O)[O-])c(C)c1 10119896 AWHNQAUHIITWLC-UHFFFAOYSA-N 410.415 3.330 5 40 HGBB O=C(NC(=S)Nc1ccccc1N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 32114807 OKNGFZWRFJTLFZ-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB CN(C)c1c(Cl)cccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 45760184 GZPMPZCQVSRPTI-UHFFFAOYSA-N 404.854 3.403 5 40 HGBB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 225726566 JBMOXWNBNZOBSG-UHFFFAOYSA-N 407.473 3.490 5 40 HGBB O=C(COC(=O)CCSc1ccc(Cl)cc1)Nc1ncc([N+](=O)[O-])s1 6049246 BVLCJMXCZDFWJK-UHFFFAOYSA-N 401.853 3.369 5 40 HGBB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)cc2[N+](=O)[O-])C1=O 8946271 HIQRXMKFNPNLPR-OAQYLSRUSA-N 410.430 3.089 5 40 HGBB CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2Cl)CC1 17090890 GKJGZQBCXZNMNM-UHFFFAOYSA-N 416.865 3.477 5 40 HGBB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257540 PBKXPCWBBASILC-UHFFFAOYSA-N 402.432 3.442 5 40 HGBB COc1cccc(-n2c(=S)sc3c(=O)n4[nH]c(=O)c5ccccc5c4nc32)c1 21729555 QPQQWVVAUZYAHG-UHFFFAOYSA-N 408.464 3.279 5 40 HGBB CC[C@@H](C)n1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100811501 MXXWQEZYLQOASZ-MRXNPFEDSA-N 415.497 3.338 5 40 HGBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc(F)cc1F 4840519 OIVRXMFSACUQBE-UHFFFAOYSA-N 405.357 3.269 5 40 HGBB O=[N+]([O-])c1ccc(NCCNCCOc2nonc2-c2ccccc2)c2ncccc12 8781112 TXNQSKKHVDSDOU-UHFFFAOYSA-N 420.429 3.274 5 40 HGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@@H](C)C3)n2)c1 17206695 DFPJNFKYQFGQPW-TXEJJXNPSA-N 402.455 3.210 5 40 HGBB Cc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)s2)o1 31370727 XHGUNSSNJZVFHQ-UHFFFAOYSA-N 413.459 3.286 5 40 HGBB CC[C@H](NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(C)cc1 44849131 BINWXWOHCJIYOK-SFHVURJKSA-N 419.503 3.245 5 40 HGBB COc1cc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 219829390 BJCDQOFIDDJNOC-UHFFFAOYSA-N 418.793 3.002 5 40 HGBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)CC 408699507 XHLYCKDLNDQTCK-UHFFFAOYSA-N 407.448 3.451 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 409358981 VCUBITDRSFSYKD-CXUHLZMHSA-N 413.367 3.422 5 40 HGBB Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)cccc1[N+](=O)[O-] 15790655 JTKNLQJVMHLKMW-UHFFFAOYSA-N 421.450 3.082 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1 104201910 LDRXPMDFIZFIDJ-UHFFFAOYSA-N 418.343 3.365 5 40 HGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@H](C)CC)C2=O)cc([N+](=O)[O-])c1O 409211114 KVRWNKGPSKOADO-DOQDJBIESA-N 424.431 3.077 5 40 HGBB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc4c(c1)OCCO4)[N+](C)(C)CC3)OCO2 4029128 JULAHYUGRLGPAM-MRXNPFEDSA-N 412.462 3.142 5 40 HGBB biogenic Cc1cc(N[C@@H]2CCN(C(=O)c3ccccn3)C2)nc(-c2cccc([N+](=O)[O-])c2)n1 79111729 KESAGBTYVINRLX-MRXNPFEDSA-N 404.430 3.082 5 40 HGBB CSc1ccc(CN(C)C(=O)c2ccc(N3CCN(C)CC3)c([N+](=O)[O-])c2)cc1 12750062 PFFNSWPGITZJKI-UHFFFAOYSA-N 414.531 3.341 5 40 HGBB CC(C)CC[C@@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13005500 QDZNFGAETVXLHP-CRAIPNDOSA-N 411.524 3.079 5 40 HGBB CC(C)n1ncc2c(C(=O)NC[C@H](O)c3ccc([N+](=O)[O-])cc3)cc(C3CC3)nc21 14095693 SFRMVDMPTRZCRO-IBGZPJMESA-N 409.446 3.261 5 40 HGBB Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 15409258 WWDHUXRFBISCNZ-UHFFFAOYSA-N 413.455 3.364 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccccc1Cl 218248563 OWOXJZWNZVPQET-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB CCc1ccccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 8413033 OGCYEVUPQHFHQV-UHFFFAOYSA-N 413.430 3.448 5 40 HGBB C[C@H]1CN(c2ccc(NC(=O)c3ccc(-n4ccnc4)c([N+](=O)[O-])c3)cn2)C[C@@H](C)O1 40142627 ZTIRJNYVHBRZFY-GASCZTMLSA-N 422.445 3.041 5 40 HGBB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 65591108 IWFYQBYCZHTJJC-CJNGLKHVSA-N 402.476 3.232 5 40 HGBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] 6271425 WLKBJLXSOJWEAU-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2ccc(CN3CCCC3)cc2)cc1[N+](=O)[O-] 6297625 XCBGIBSIXVVXPZ-UHFFFAOYSA-N 414.487 3.326 5 40 HGBB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 10218235 PHTJKUCUEQVHFB-UHFFFAOYSA-N 405.457 3.397 5 40 HGBB CSc1ccc(C(=O)NC[C@H](c2ccc(F)cc2)N2CCOCC2)cc1[N+](=O)[O-] 23160356 YURVQLHPFSABFI-GOSISDBHSA-N 419.478 3.259 5 40 HGBB COc1ccc([N+](=O)[O-])cc1N[C@@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O 102992972 ODCSYSVNAZTDAB-CYBMUJFWSA-N 409.320 3.366 5 40 HGBB CCOC(=O)c1c(NC(=O)c2ccccc2[N+](=O)[O-])sc(C(=O)N(C)C)c1C 1002280 PUISKNKRXATKKG-UHFFFAOYSA-N 405.432 3.096 5 40 HGBB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 4496184 MXGYWDFQVLCHSX-UHFFFAOYSA-N 405.457 3.315 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N3CCO[C@H]4CCC[C@@H]43)c([N+](=O)[O-])c2)CC1 79017477 LJUJKJKVFZEDCW-UIZVLNOTSA-N 423.535 3.210 5 40 HGBB Cn1nnnc1Sc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1[N+](=O)[O-] 3406459 XQVGVXUNWCLPGO-UHFFFAOYSA-N 408.802 3.314 5 40 HGBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] 5958638 SNSBDGVCKIMDKC-UHFFFAOYSA-N 408.414 3.122 5 40 HGBB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])cc1Cl 8050691 JFMICNVLUNRPPU-UHFFFAOYSA-N 404.854 3.160 5 40 HGBB COc1cc2c(cc1OC)CN(C(=O)c1ccc(N3CCCC3)c([N+](=O)[O-])c1)CC2 12536909 PSQJERXSODHHRF-UHFFFAOYSA-N 411.458 3.411 5 40 HGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1ccc(I)o1 13574964 WXKPVKISDKIQTB-XFFZJAGNSA-N 410.123 3.137 5 40 HGBB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 17091450 WMQRKEFCRDMZGJ-VIFPVBQESA-N 418.500 3.007 5 40 HGBB COc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1 20610084 OEDYTBUUDVXHTR-UHFFFAOYSA-N 419.397 3.355 5 40 HGBB NC(=O)CN1c2ccccc2C(=O)N[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)s1 28512067 ZGPNQFFPYDJZBN-IBGZPJMESA-N 408.439 3.057 5 40 HGBB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 100744754 KIPHTHYSVQAMJV-REEHMJMUSA-N 417.573 3.270 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)NCC(C)C 408584270 NRLRFMKPCBFCHT-UHFFFAOYSA-N 405.476 3.398 5 40 HGBB O=C(c1ccc([N+](=O)[O-])c(CS(=O)(=O)c2ccc(Cl)cc2)c1)N1CCCC1 8873398 KUTGNGKRDUAJKH-UHFFFAOYSA-N 408.863 3.458 5 40 HGBB COc1cc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc(OC)c1 9125156 XJYVGUDKCNZEMA-UHFFFAOYSA-N 415.431 3.144 5 40 HGBB O=C(O)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 12464472 IETLVDGEDXUAKM-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCSc3c(F)cccc32)cc1[N+](=O)[O-] 12974966 GCKAUCBHRUEUQL-CYBMUJFWSA-N 410.448 3.104 5 40 HGBB CCc1cccc(C)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220029806 UEVMNHAUIAOVOA-UHFFFAOYSA-N 405.476 3.179 5 40 HGBB O=C(Nc1ccc(Br)cc1)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 7927937 FLNMZOAPRJJEMU-LLVKDONJSA-N 404.220 3.349 5 40 HGBB Cc1c(Cl)cccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 8330999 DBQWWZYUJHAUMH-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccccc2OC(F)F)NC(=O)N1 9373025 RNQWSPQSVBPNMW-INIZCTEOSA-N 418.356 3.463 5 40 HGBB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9666144 SEIDGWONJKPUSO-UHFFFAOYSA-N 412.276 3.138 5 40 HGBB O=C(CSc1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1cccc([N+](=O)[O-])c1 10010138 QYBCPKGLADEMPS-UHFFFAOYSA-N 421.500 3.110 5 40 HGBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2nc(-c3cccnc3)nc3ccccc23)cc1 24982214 BFOJVJUPOVPBCJ-VQTJNVASSA-N 417.425 3.106 5 40 HGBB COCC[C@@H](NC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-])c1ccc(C)o1 95465861 UBRSURWOZRWXGA-CYBMUJFWSA-N 408.407 3.030 5 40 HGBB COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225011185 XMUOGMOXHMIMIQ-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c1 7820016 PYIITXQJPNABAJ-CYBMUJFWSA-N 400.387 3.167 5 40 HGBB COc1cc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)ccc1-c1ccc(C(=O)O)o1 226353772 UQFGZPXNDIMTGL-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB CCCC(=O)Nc1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 17089125 IMCACGBXPLOTIQ-UHFFFAOYSA-N 412.446 3.422 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 44884512 OGOVMGHRVPNOLE-UHFFFAOYSA-N 403.460 3.163 5 40 HGBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1C[C@@H]2C[C@@H](C1)c1cccc(=O)n1C2 101240738 RICCMSIVCISBAT-HOCLYGCPSA-N 405.410 3.276 5 40 HGBB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 408609115 OBWINDCNMBXZHX-HXUWFJFHSA-N 411.458 3.267 5 40 HGBB CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1=O 4306587 UREGOMQRJBLYAP-OAQYLSRUSA-N 410.430 3.007 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 4555479 SMMJMMMINHMHLW-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc2c(c1)OCO2 8146710 CFGNWZHQVBBWLZ-UHFFFAOYSA-N 406.416 3.290 5 40 HGBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1=COCCO1 8735899 CTWOXVXMFLSWTQ-QGZVFWFLSA-N 418.789 3.359 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 9360892 ZNOADRSMXVDYKA-XRXFAXGQSA-N 417.421 3.008 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)c1 9711929 LAKDDBWTSZWBAP-UHFFFAOYSA-N 419.440 3.290 5 40 HGBB CCOc1ncccc1C(=O)N(Cc1nnc(-c2cccc([N+](=O)[O-])c2)o1)C(C)C 16014861 ZDLGXZWZFSXOEK-UHFFFAOYSA-N 411.418 3.489 5 40 HGBB COc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1 20610082 CKLPYVCRYFHMKQ-UHFFFAOYSA-N 419.397 3.355 5 40 HGBB Cc1nn(Cc2ccc(Cl)c([N+](=O)[O-])c2)c(C)c1S(=O)(=O)N1CCCCC1 84013977 SMVBSLSXNMXVKZ-UHFFFAOYSA-N 412.899 3.284 5 40 HGBB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 89904914 GKUNXMVZNPPOBF-CCGUKBGLSA-N 402.881 3.025 5 40 HGBB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 10338879 IZDQSLTXOWRWFM-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@]2(O)c2cccc([N+](=O)[O-])c2)c1 885732 YJAUMDYTLFJLJW-KRWDZBQOSA-N 409.320 3.213 5 40 HGBB O=C(O)COCC[N+]1([O-])CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22054202 IVDOUUOLLFEMJQ-NRFANRHFSA-N 404.894 3.161 5 40 HGBB in-vitro O=[N+]([O-])c1cc(S(=O)(=O)N2CCN(C/C=C/c3ccccc3)CC2)ccc1Cl 25197019 QZSBHWHBVJTXLZ-QPJJXVBHSA-N 421.906 3.268 5 40 HGBB CCOc1ccc2nc(NS(=O)(=O)c3ccc(OC)c([N+](=O)[O-])c3)sc2c1 24773536 QMAYFUNVHUSASE-UHFFFAOYSA-N 409.445 3.413 5 40 HGBB O=C(c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 9356092 NJQZMORPSFWDKB-UHFFFAOYSA-N 403.460 3.412 5 40 HGBB CNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408738661 UHFQLRDVUJKIKR-NRFANRHFSA-N 417.465 3.200 5 40 HGBB CCOC(=O)c1cc(OC(=O)c2ccc(OC)c([N+](=O)[O-])c2)n(-c2ccccc2)n1 408529575 MLPKTQFDNFQYOW-UHFFFAOYSA-N 411.370 3.185 5 40 HGBB Cc1n[nH]c(-c2cccc(NS(=O)(=O)c3cc(Cl)c(C)c([N+](=O)[O-])c3)c2)n1 40152677 UXTYLPIRAGNULH-UHFFFAOYSA-N 407.839 3.451 5 40 HGBB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224355360 NTQNWAAOAPVYGV-GOSISDBHSA-N 401.438 3.220 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(C)c1)S(C)(=O)=O 220509489 OSZINQMQKXJZBO-KRWDZBQOSA-N 405.476 3.395 5 40 HGBB Cc1ccc([C@](O)(CCNC(=O)CCNc2ccccc2[N+](=O)[O-])C(F)(F)F)o1 40087167 GVBYRVVBZMISOP-QGZVFWFLSA-N 415.368 3.255 5 40 HGBB CCN(CC)C(=O)c1sc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C(=O)OC)c1C 6046312 RXSFQSNARLNVND-UHFFFAOYSA-N 419.459 3.486 5 40 HGBB COc1cc(OC)cc(C(=O)N[C@H](C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)C(C)C)c1 6509126 COWWDYXDWYOWTR-SFHVURJKSA-N 419.409 3.144 5 40 HGBB CCOc1ccc(C(=O)N[C@@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 32910572 IJDWDVAUFNQFTR-LJQANCHMSA-N 400.431 3.491 5 40 HGBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1C[C@H]2C[C@H](C1)c1cccc(=O)n1C2 101240747 RICCMSIVCISBAT-GDBMZVCRSA-N 405.410 3.276 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 10337962 MVZYIUOOCWFZGY-UHFFFAOYSA-N 405.476 3.431 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1 5025283 KEMRYBWNOFQJCV-QGZVFWFLSA-N 408.863 3.078 5 40 HGBB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1 32666001 ROEZZCNNHUOKCK-KRWDZBQOSA-N 417.418 3.492 5 40 HGBB Cc1c(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cccc1[N+](=O)[O-] 5259366 BLTMEBYKBYWIEK-UHFFFAOYSA-N 419.441 3.449 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 8659221 FPJBRRCFMAGMDY-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1c(F)c(F)c(F)c(F)c1F 8902390 BQHQQHJJKBBDDI-UHFFFAOYSA-N 417.290 3.379 5 40 HGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)Cc2ccccc2N2CCOCC2)c1C 12516022 UZTHXLZJCFCOBZ-UHFFFAOYSA-N 412.490 3.119 5 40 HGBB Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 12806369 QYLMGWPTQDJYNJ-UHFFFAOYSA-N 417.487 3.008 5 40 HGBB CN(CC(=O)Nc1cccc(F)c1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 14808548 AEXNSQFAYUCFIJ-UHFFFAOYSA-N 417.440 3.391 5 40 HGBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(I)cc2)c1 20460050 RSCVPLGLOHUMBI-UHFFFAOYSA-N 418.212 3.141 5 40 HGBB COCC[C@H](NC(=O)c1cc(OC)c(OC)c(OC)c1[N+](=O)[O-])c1ccc(C)o1 95465862 UBRSURWOZRWXGA-ZDUSSCGKSA-N 408.407 3.030 5 40 HGBB COCCn1/c(=N/C(=O)c2ccc(N(C)C)cc2)sc2cc([N+](=O)[O-])ccc21 100872713 KDSHSYZDMFWUIB-VXPUYCOJSA-N 400.460 3.065 5 40 HGBB CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222874953 RYRINVWSCLADDC-INIZCTEOSA-N 415.515 3.034 5 40 HGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 847732 RTHLBXMKWQLPJJ-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc(Cl)ccc1N1CCOCC1 6250179 WFDGNFRQVGEEHX-UHFFFAOYSA-N 420.853 3.144 5 40 HGBB CCOc1ccc(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 6355216 IWOGQCVYLBBZER-AWEZNQCLSA-N 421.475 3.095 5 40 HGBB COP(=O)(OC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1cccnc1 8845998 NLSKSXUAGFMZHO-UHFFFAOYSA-N 418.346 3.292 5 40 HGBB C[C@@H]1CCCN(C(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)C1 10541179 DTLDOTMONPTIDW-MRXNPFEDSA-N 417.487 3.049 5 40 HGBB O=C(Nc1ccc(Cl)cn1)[C@@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 47252523 SZMOFLFVYDROIW-CYBMUJFWSA-N 414.853 3.301 5 40 HGBB COc1ccc2oc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)c(C)c2c1 3334334 FUUFJQLFAVUZEF-UHFFFAOYSA-N 414.370 3.462 5 40 HGBB COc1cccc(C2=NC(=O)[C@@H](CC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])S2)c1 6510437 NAPLPFMAMQEVEA-MRXNPFEDSA-N 415.427 3.029 5 40 HGBB Cc1ccc2[nH]c(Sc3cc(NCCCO)c([N+](=O)[O-])c4nonc34)nc2c1 9434241 AYYAXSKUZWOBTE-UHFFFAOYSA-N 400.420 3.261 5 40 HGBB COc1cc(NC(=O)COC(=O)c2ccc(Br)o2)c(C)cc1[N+](=O)[O-] 12660400 CDXRYZSKCUVRHX-UHFFFAOYSA-N 413.180 3.063 5 40 HGBB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 17089825 PWNRRDBQIQPFBB-UHFFFAOYSA-N 414.443 3.020 5 40 HGBB CC(=O)c1ccc(N2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)CC2)c(F)c1 57363718 XBJADHFEBJQTND-CQSZACIVSA-N 414.437 3.086 5 40 HGBB C[C@H](C(=O)Nc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57452449 ZVHMTLLMDWMQMU-MRXNPFEDSA-N 405.458 3.292 5 40 HGBB C[C@@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 7050178 HNKQEKHDDJERIT-GFCCVEGCSA-N 406.851 3.473 5 40 HGBB COc1ccc([C@H](CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)NC(C)=O)cc1 10904693 KUWUUUMEDQNUSD-IBGZPJMESA-N 419.865 3.483 5 40 HGBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3O)S2)cc1 408785415 XEVIMEQFEVXVPP-ODZYNRFZSA-N 416.415 3.371 5 40 HGBB COC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225092407 BUIMAPLIKDBLBC-UHFFFAOYSA-N 422.459 3.059 5 40 HGBB CN(C)[C@@H](CNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12 10333828 YSIJZAJANONUMS-FQEVSTJZSA-N 406.442 3.106 5 40 HGBB CCCn1/c(=N\C(=O)C(CC)CC)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627751 UIPVEKLMWYJXDX-QQTULTPQSA-N 424.501 3.099 5 40 HGBB COc1ccc(OC)c(Nc2nc(NCCc3ccccc3)nc(N)c2[N+](=O)[O-])c1 4306266 SZWHPBDAYLESQN-UHFFFAOYSA-N 410.434 3.382 5 40 HGBB Cc1c(NC(=O)CSCc2cccc([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 408725841 IMEBUJXPGQEDET-UHFFFAOYSA-N 412.471 3.265 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CS(=O)(=O)N2CCCC2)cc1 44886335 COUZHDUYILXCAJ-UHFFFAOYSA-N 403.460 3.081 5 40 HGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 139081259 JUEKEPRSEXZQCM-WOJBJXKFSA-N 419.437 3.494 5 40 HGBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(CCc1ccccc1)[C@@H]1CCS(=O)(=O)C1 10212910 CTAFTUPPRKGDIX-MRXNPFEDSA-N 422.890 3.120 5 40 HGBB Cc1nc(CN2CCN([C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 12913594 AJVWQMBNTXFIKH-LBPRGKRZSA-N 423.926 3.158 5 40 HGBB COc1cccc(N2C[C@H](C(=O)N(C)Cc3cc([N+](=O)[O-])ccc3Cl)CC2=O)c1 40058953 BXFPCXDUUKZZFT-CQSZACIVSA-N 417.849 3.268 5 40 HGBB Cn1cc([C@H]2CCCCCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)cn1 13566803 AGSSSQYFFLXNTO-HXUWFJFHSA-N 408.462 3.331 5 40 HGBB CC(C)(C)OC(=O)Cc1c(C(=O)OC(C)(C)C)nnn1-c1ccc([N+](=O)[O-])cc1 3844467 BWZFWIYKUMQHBK-UHFFFAOYSA-N 404.423 3.015 5 40 HGBB biogenic CN1CCN(c2ccc(-c3cccc(NC(=O)c4ccccc4[N+](=O)[O-])c3)nn2)CC1 4939844 DNEWPGVWSIGPBK-UHFFFAOYSA-N 418.457 3.056 5 40 HGBB O=C(O[C@@H]1C[N+]2(Br)CCC1CC2)C(O)(c1ccccc1)c1ccccc1 5063826 LBQSJEBSLPOUEZ-VCDSYBKSSA-N 417.323 3.385 5 40 HGBB in-vitro Cc1cc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])ccc1Cl 5833597 YRRMCJZYEQOEKG-UHFFFAOYSA-N 412.851 3.370 5 40 HGBB O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1 17093763 URFCKVKITRPIII-UHFFFAOYSA-N 424.232 3.182 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 33731349 YQYSXPBZLGWNBO-DHDCSXOGSA-N 401.375 3.409 5 40 HGBB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223846011 UXQNCTKXIHOACR-HNNXBMFYSA-N 401.438 3.220 5 40 HGBB CCOc1ccc(C(C)=O)cc1COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 2627473 UVZVBGAZACLSNJ-UHFFFAOYSA-N 401.371 3.340 5 40 HGBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)NCc1ccc(F)cc1 4839918 WPGAXLVKNQSROJ-UHFFFAOYSA-N 415.421 3.197 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)CCCC1=O 8475262 VBRAREVNIAZXMT-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 12787672 KCNYRSXRFPMUKN-QGZVFWFLSA-N 409.320 3.461 5 40 HGBB Cc1cc(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1C 12891931 OLEGHNPKPAJCAT-INIZCTEOSA-N 408.462 3.424 5 40 HGBB CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)CCNc1ccccc1[N+](=O)[O-] 23078042 WNFCWNQHIUJEAF-UHFFFAOYSA-N 418.881 3.215 5 40 HGBB O=C(CSc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30259308 UJLMDKLAWPIPTH-UHFFFAOYSA-N 418.450 3.202 5 40 HGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 32640712 GFTTYJGTCKASPW-MSOLQXFVSA-N 417.512 3.178 5 40 HGBB O=C(CCCNc1ccccc1[N+](=O)[O-])N1CCC(C(=O)N2CCCCCC2)CC1 32748267 DMSHRZOXJZKGMM-UHFFFAOYSA-N 416.522 3.428 5 40 HGBB COc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 65589417 GJENWJWDIYEKJQ-CQSZACIVSA-N 407.473 3.127 5 40 HGBB O=C(OCC(=O)N1CCCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCCC1 4893267 GQLWICKSETUXPM-UHFFFAOYSA-N 409.442 3.331 5 40 HGBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])cc1 6305562 DAIYRKLNGRPTPB-UHFFFAOYSA-N 416.459 3.081 5 40 HGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCCCOCC3CC3)c([N+](=O)[O-])c2)C1 7366892 FXBANSXAKVFPEN-HNNXBMFYSA-N 411.524 3.244 5 40 HGBB CCCCn1c(COc2cc(C)ccc2[N+](=O)[O-])nc2cc(S(N)(=O)=O)ccc21 10346821 ISABQKFUQYPPDK-UHFFFAOYSA-N 418.475 3.279 5 40 HGBB Cc1ccc([C@H](NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 12546136 LTGQRKKRINMFEF-QHCPKHFHSA-N 408.502 3.293 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(NC[C@H](CC(C)C)N(C)C)c([N+](=O)[O-])c1 23887546 CQYAACYYUDVMTI-HNNXBMFYSA-N 400.545 3.014 5 40 HGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24916805 VHNIFXNVAXMIKU-UHFFFAOYSA-N 416.434 3.408 5 40 HGBB CC1CCN(Cc2csc(NC(=O)c3cc4c(cc3[N+](=O)[O-])OCCO4)n2)CC1 32719495 XOTKIXOJGHZOIZ-UHFFFAOYSA-N 418.475 3.307 5 40 HGBB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220415440 OQBGTOMZQNNREU-JKSUJKDBSA-N 419.503 3.244 5 40 HGBB CC[C@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514579 OIMSJYIJSQMGPG-MRXNPFEDSA-N 411.867 3.432 5 40 HGBB Cc1nn(CC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)c(C)c1[N+](=O)[O-] 3429045 KVQOKUMYUWVXBK-UHFFFAOYSA-N 422.467 3.330 5 40 HGBB O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-] 4413474 AOSLCGQGWXABMG-UHFFFAOYSA-N 406.427 3.455 5 40 HGBB COc1cc(C(=O)N(C)CC(=O)Nc2cccc3ccccc23)c([N+](=O)[O-])cc1OC 12816025 BEKCERJGJMRGKQ-UHFFFAOYSA-N 423.425 3.476 5 40 HGBB CC(C)CC[C@@H](C)NC(=O)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13005498 QDZNFGAETVXLHP-QAPCUYQASA-N 411.524 3.079 5 40 HGBB COc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 13546539 NFSMGAOJOVTQRA-AUWJEWJLSA-N 403.778 3.016 5 40 HGBB Cn1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)n1 13566808 OLSIFFSQRHXIIW-FQEVSTJZSA-N 408.462 3.331 5 40 HGBB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1ccc([N+](=O)[O-])cc1 19468398 BBTMSBBTLHPSGK-QFIPXVFZSA-N 423.425 3.026 5 40 HGBB COc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC 32796542 WFNUAQMHTSUUPR-NSHDSACASA-N 419.821 3.257 5 40 HGBB Cc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1C 222631742 KPJJKTINXJLJBI-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408688899 XBYDLGZCKVQCBW-ROUUACIJSA-N 423.400 3.243 5 40 HGBB O=C(CN1[C@H]2CC[C@@H]1CC(NC(=O)Nc1ccccc1)C2)Nc1cccc([N+](=O)[O-])c1 4908293 JELMMOLHVJAROT-YQQQUEKLSA-N 423.473 3.350 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712450 WYBLWEPQOVWZMX-MRXNPFEDSA-N 411.867 3.432 5 40 HGBB COC(=O)c1ccc(CN(C)C(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 45939320 IUYKSEVJDUZWQN-UHFFFAOYSA-N 407.220 3.416 5 40 HGBB O=C(NC[C@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 56945294 OJOURMPLCKGEAO-OAQYLSRUSA-N 420.469 3.481 5 40 HGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccccc21 3298423 TZUCFIPGHQHHGA-INIZCTEOSA-N 410.459 3.077 5 40 HGBB COc1ccccc1-n1c(C)nnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3437744 DWQPUIPARMWEAD-UHFFFAOYSA-N 417.422 3.362 5 40 HGBB O=C1N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1 8971892 FPTLILCQASKCBJ-UTKZUKDTSA-N 406.398 3.229 5 40 HGBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)COc1ccc([N+](=O)[O-])cc1 9668074 UNXXVNQLAUSCHP-UHFFFAOYSA-N 424.442 3.395 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)cc1 9708696 PABPNJRZBIDKPJ-OAQYLSRUSA-N 424.482 3.072 5 40 HGBB C[C@@H](NC(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1Cl 13147871 OODMAFMAAHESMV-SECBINFHSA-N 422.224 3.375 5 40 HGBB O=[N+]([O-])c1ccc(C2c3c(nc(=S)[nH]c3O)Oc3nc(=S)[nH]c(O)c32)cc1 13799665 UYLYXNZSRMQYRO-UHFFFAOYSA-N 403.401 3.197 5 40 HGBB in-vivo CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 16045560 LPPKAAMCIFNOQG-DHZHZOJOSA-N 401.850 3.426 5 40 HGBB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 223590252 CTFXTDAVRVVWDV-UHFFFAOYSA-N 416.459 3.421 5 40 HGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(SC)cc1 224989781 TWVMTEDKSLBXOM-UHFFFAOYSA-N 424.500 3.384 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)n1ccc(-c2nn(-c3ccc(Cl)cc3)ccc2=O)n1 1392532 POMWBNGFZBSJFZ-UHFFFAOYSA-N 421.800 3.346 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1cccc(Cl)c1)S(C)(=O)=O 7872148 RSQOGERLJFIQRB-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3ccc([N+](=O)[O-])cc3)nc2N1 9360011 JYYNPYRVIQISRF-AWEZNQCLSA-N 412.793 3.024 5 40 HGBB C[C@H]1CCCCN1S(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1 19873591 GSCRIHJWYKLSBQ-HNNXBMFYSA-N 404.492 3.208 5 40 HGBB COc1ccc2[nH]cc(CCNC(=O)[C@@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c2c1 20648306 JIFOBROUSVQOFY-MRXNPFEDSA-N 423.473 3.055 5 40 HGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1cccc(Cn2ccnc2)c1 25173256 INAMBZYUUMIKNY-UHFFFAOYSA-N 421.413 3.166 5 40 HGBB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3C)c(Cl)cc21 223366258 SWRUQRWAJFKAAW-UHFFFAOYSA-N 411.823 3.285 5 40 HGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(C)cc1 113888604 YJYZMBSNHMZJSR-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc(C)cc(C(F)(F)F)n1 408583626 VWZHVZYQWJJZMB-UHFFFAOYSA-N 402.354 3.451 5 40 HGBB O=C(CC(c1ccccc1)c1ccccc1)N[C@@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 3257119 FFTBGPXVRJDKQD-LADGPHEKSA-N 420.465 3.328 5 40 HGBB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1O 3272434 TUIHYYLCFLVQMZ-XVNBXDOJSA-N 406.778 3.158 5 40 HGBB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 7175971 VJBWCDVZFJCYBD-CYBMUJFWSA-N 401.419 3.162 5 40 HGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(OC(F)F)cc2)NC(=O)N1 9453589 MZHDHOHHTHHTRV-INIZCTEOSA-N 418.356 3.463 5 40 HGBB CN(Cc1c(F)cccc1Cl)C(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9460305 CVYCCRZYOGSREJ-UHFFFAOYSA-N 414.220 3.429 5 40 HGBB CC(C)OC(=O)C[C@@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccccc1[N+](=O)[O-] 44408550 FWJWDPRQUDCZLX-CYBMUJFWSA-N 407.404 3.377 5 40 HGBB CC[C@@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222541784 ILHALPSOQJFFOB-SFHVURJKSA-N 419.503 3.073 5 40 HGBB O=C(Nc1cccc(Br)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6124914 OMRAPAFMCDWNSU-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB Cc1cc(OCc2ccc(C(=O)N3N=CC[C@]3(O)C(F)(F)F)o2)ccc1[N+](=O)[O-] 6922165 MZFHHWYWDYEXHK-INIZCTEOSA-N 413.308 3.158 5 40 HGBB CC(C)N(CCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])C(C)C 15131544 SXADMPXPMXNUMB-UHFFFAOYSA-N 400.545 3.202 5 40 HGBB O=C(Nc1cccc(Cl)c1N1CCOCC1)c1cc2c(cc1[N+](=O)[O-])OCO2 32885709 LUOBHEYLMLTSBC-UHFFFAOYSA-N 405.794 3.066 5 40 HGBB CCOC(=O)c1ccc(OC[C@@H](O)Cn2ccnc2-c2cccc([N+](=O)[O-])c2)cc1 48299695 UIFBNUIYRUUXBG-SFHVURJKSA-N 411.414 3.075 5 40 HGBB CCOc1ccc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC 408566451 OFOLGAZSUXBJCX-GJULWVSJSA-N 411.458 3.006 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408688639 WKQSJYZGMZKZBS-KDURUIRLSA-N 405.410 3.103 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N3C[C@@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)CC1 8055198 LTKFKBGNZIBVIC-LVDPKSTMSA-N 411.524 3.065 5 40 HGBB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 17088440 HFPMNPWPKINCIA-UHFFFAOYSA-N 410.411 3.081 5 40 HGBB NC(=O)c1ccc(OCC(F)(F)C(F)F)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 22079517 YLKQQNUDSSKDPB-UHFFFAOYSA-N 415.299 3.225 5 40 HGBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1)c1ccc([N+](=O)[O-])cc1 59720638 KSAVOXAXCFKZFH-CYBMUJFWSA-N 402.790 3.027 5 40 HGBB COc1cc(OC)cc(-c2nnc(SCC(=O)c3cccc([N+](=O)[O-])c3)[nH]2)c1 107659401 UAJZOJXBPSJHDT-UHFFFAOYSA-N 400.416 3.372 5 40 HGBB COC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224938846 LHUUYSXBPNSLCM-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 18006704 ZMSOJNQGTZEDJT-UHFFFAOYSA-N 414.437 3.435 5 40 HGBB COc1ccccc1C(=O)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc([N+](=O)[O-])cc1 885725 RMEMWPGSWJPMAD-QGZVFWFLSA-N 409.320 3.213 5 40 HGBB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)CC1 2585718 MHLALBFKCZRZRW-UHFFFAOYSA-N 404.810 3.427 5 40 HGBB Cn1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccc([N+](=O)[O-])cc1 4148129 WIUXJGNNQAGNPF-UHFFFAOYSA-N 413.484 3.440 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225509737 MUYBLGGRTUKJDG-CYBMUJFWSA-N 423.878 3.288 5 40 HGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408687829 VGIPATSDYYHESH-BPAFIMBUSA-N 419.437 3.349 5 40 HGBB CCCCN(C)C(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 4679919 XIHZFITUHPNOAX-KRWDZBQOSA-N 405.838 3.092 5 40 HGBB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])sc(C(N)=O)c1C 5473800 NLRMBJVTRUXQLV-UHFFFAOYSA-N 411.823 3.146 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 8659224 VHTADSZRQWKJOF-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB Cn1cnnc1Sc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)cc1[N+](=O)[O-] 8825342 UVFXPNZIORCEMM-UHFFFAOYSA-N 424.398 3.144 5 40 HGBB CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113895764 ZJZNUBOULIEYIH-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB O=C(NCc1ccccc1Cl)C1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 409051840 NJTZBTSTRMVQNO-UHFFFAOYSA-N 401.850 3.417 5 40 HGBB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1I 409369500 CDGSQKJKTFXFBC-UHFFFAOYSA-N 412.139 3.150 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1195658861 FPSSGRDRJBAVHA-HOTGVXAUSA-N 406.483 3.123 5 40 HGBB O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccccc1 1313068 PXKRMASFXNWHCW-UHFFFAOYSA-N 409.148 3.305 5 40 HGBB CCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 6310972 GBYIFYCKCWCRLP-DENIHFKCSA-N 418.453 3.171 5 40 HGBB biogenic COc1cccc(NC(=O)Cc2nnc(SCc3ccccc3[N+](=O)[O-])n2C)c1 7871077 SQOVVTGMYSQBTF-UHFFFAOYSA-N 413.459 3.205 5 40 HGBB Cc1cc(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c([N+](=O)[O-])cc1C 12891923 OLEGHNPKPAJCAT-MRXNPFEDSA-N 408.462 3.424 5 40 HGBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1 12998094 DSINQKZRZIAFQC-VMPITWQZSA-N 423.425 3.214 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 32901055 KIOWGXXDQGYUSC-ZDUSSCGKSA-N 405.838 3.352 5 40 HGBB CCc1ccc(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)cc1 1430419 FTVSFPUCQLHUMH-UHFFFAOYSA-N 407.426 3.226 5 40 HGBB COCCCn1c(-c2ccc(F)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2202784 FIJOXGUUHFGGBX-UHFFFAOYSA-N 410.401 3.354 5 40 HGBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2Cl)CC1 4412862 SNPPCSIYVHPCCW-UHFFFAOYSA-N 406.826 3.152 5 40 HGBB O=C(CSCc1cc(=O)n2ccsc2n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 7003145 HZQZQZRHYYAHAV-UHFFFAOYSA-N 410.864 3.190 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 8475212 WCRUBDGPOXDMJO-RTBURBONSA-N 407.426 3.327 5 40 HGBB COc1ccc(C(=O)OCC(=O)Nc2nc(C)c(Cl)cc2Cl)cc1[N+](=O)[O-] 9126286 XKFNYCSTVWEPAW-UHFFFAOYSA-N 414.201 3.409 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cccc(OC(C)C)c1)S(C)(=O)=O 10328192 SMHBNXSVZNXUHR-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB Cc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)cc1 23105889 VJIASJXSVHWMQY-IBGZPJMESA-N 403.866 3.360 5 40 HGBB O=C1CS[C@H](c2cccc([N+](=O)[O-])c2)c2c(O)nn(C3CCSCC3)c2N1 96117840 KPKJALYRKDMXLD-OAHLLOKOSA-N 406.489 3.340 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408686278 RHIGKUOJJYHZKL-FVCZOJIISA-N 419.437 3.183 5 40 HGBB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16330626 HKYMMVILLDCNOC-ZWNOBZJWSA-N 409.493 3.157 5 40 HGBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc2c(c1)OCCO2 17087787 KFKOOMJSAKQKRD-UHFFFAOYSA-N 407.835 3.455 5 40 HGBB Cc1cc(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)ccc1[N+](=O)[O-] 33423446 VCCMWXZYXPPIMA-XNTDXEJSSA-N 417.468 3.431 5 40 HGBB CCCNC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O 409210305 JGFMFVCTZDVYTC-YBEGLDIGSA-N 415.427 3.417 5 40 HGBB CC(C)CNC(=O)c1cc2ccc(OC(=O)c3ccccc3[N+](=O)[O-])cc2oc1=O 941587 YAVSDDMOLZEUEM-UHFFFAOYSA-N 410.382 3.306 5 40 HGBB COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c(OC)c1 2107540 JNSXOVUZTMHVDG-QGZVFWFLSA-N 414.478 3.388 5 40 HGBB biogenic C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C1 4839895 QPTGQSPWMDEGRC-MRXNPFEDSA-N 403.479 3.391 5 40 HGBB C[C@@H](NC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 5709869 PJHVJTHXWKEDFZ-CSNVJCEJSA-N 401.463 3.055 5 40 HGBB CCN1C(=O)[C@](O)(CC(=O)c2ccc([N+](=O)[O-])cc2)c2cc(Br)ccc21 8921792 QRCJEUNDEVGBGZ-SFHVURJKSA-N 419.231 3.184 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2cnn(Cc3ccccc3)c2)c1C 12939808 XSWOGMWJHAVDOS-UHFFFAOYSA-N 414.487 3.277 5 40 HGBB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@H]1c1ccc([N+](=O)[O-])cc1 4705336 YCNIXFFBCNOUFC-SFHVURJKSA-N 406.402 3.123 5 40 HGBB O=[N+]([O-])c1ccc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)c2ncccc12 12522610 OMWSQACMHXVVJI-UHFFFAOYSA-N 412.471 3.090 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 14000267 SSQJDLMDMPWGFJ-ZDUSSCGKSA-N 403.822 3.409 5 40 HGBB CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc2c1CC[C@H](C)C2 2092703 CYAZTMSVHSHCRT-JTQLQIEISA-N 406.464 3.101 5 40 HGBB CNS(=O)(=O)c1ccc(N2CCC[C@H]2c2nc3ccccc3s2)c([N+](=O)[O-])c1 8705394 XSMIGHUTHKJRLV-HNNXBMFYSA-N 418.500 3.454 5 40 HGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 9584415 FWNVHBKMKHOTTG-QGZVFWFLSA-N 415.274 3.258 5 40 HGBB Cc1ccc(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 10335277 ADHIFNVCIXPHCS-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CN(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 19162952 FXLRPVXIYJUTOQ-UHFFFAOYSA-N 418.258 3.161 5 40 HGBB CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225070680 GNOFLBXYOFLNRF-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(c2nc3ccccc3[nH]2)CC1 4861748 XYZGFVZBXSZHNG-UHFFFAOYSA-N 409.446 3.298 5 40 HGBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc([N+](=O)[O-])cc2)NN1C 5716825 XBRVHLCGBXQICP-INIZCTEOSA-N 403.826 3.080 5 40 HGBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Oc1ccccc1-c1ccccc1 7779669 RIVCWKDDAJDRSM-UHFFFAOYSA-N 402.362 3.463 5 40 HGBB Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccc3ccccc23)N(C)C)c([N+](=O)[O-])c1 10333760 SFNYSCCTQQKSFP-NRFANRHFSA-N 420.469 3.414 5 40 HGBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=S)Nc2ccc(F)cc2F)CC1 36847654 UNOYSNHKUQOOSN-UHFFFAOYSA-N 412.443 3.089 5 40 HGBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 1049529 LBHUPSSHOCUKJM-NFJKTXFASA-N 410.429 3.467 5 40 HGBB O=[N+]([O-])c1ccc([C@@H](O)[C@H](CO)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 53898824 PIRVFEGBJVJPKD-DZGCQCFKSA-N 401.297 3.028 5 40 HGBB Cc1ccc([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220395795 SQCMYQLCWQDXMB-HOTGVXAUSA-N 419.503 3.244 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222367183 NPYRSACVMMZCDR-MRXNPFEDSA-N 419.503 3.327 5 40 HGBB CCS(=O)(=O)N1CCCc2cc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)ccc21 8586877 HZOQDBMAMDXMKI-UHFFFAOYSA-N 403.460 3.258 5 40 HGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1ccc([N+](=O)[O-])cc1 13856670 VCYFZFNUFRZXJS-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)cc1 19867865 XEGOZMISJUMVGU-UHFFFAOYSA-N 417.487 3.084 5 40 HGBB CCOC(=O)C1=C(C)N[C@@H](c2cccc([N+](=O)[O-])c2)N[C@@H]1c1cccc([N+](=O)[O-])c1 95115831 LYSZPSRFMMSDIP-RTBURBONSA-N 412.402 3.273 5 40 HGBB CC[C@@H](C(=O)Nc1ccc(F)cc1F)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521740 FRMWOFXVFQEBCE-INIZCTEOSA-N 413.402 3.056 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 223772322 PDVBZLBEGCETST-UHFFFAOYSA-N 422.850 3.427 5 40 HGBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(C2CCCCC2)CC1 89814092 HREWKXALSRDEBE-UHFFFAOYSA-N 400.523 3.288 5 40 HGBB CCC[C@]1(c2ccccc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 2627008 QJFVKZNGATXEMY-OAQYLSRUSA-N 411.414 3.209 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])NCc1ccc(-c2nc3ncccc3o2)cc1 7389279 HQWCJCXFEYXMRM-UHFFFAOYSA-N 404.382 3.493 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)n1C 8336312 BRTOQBKKMJILFC-UHFFFAOYSA-N 413.459 3.342 5 40 HGBB COCCNc1ccc(C(=O)N(C)Cc2cnn(Cc3ccccc3)c2)cc1[N+](=O)[O-] 11084004 UQULBWBRQFUZHI-UHFFFAOYSA-N 423.473 3.170 5 40 HGBB COc1ccc(S(=O)(=O)NCc2csc(-c3ccccc3)n2)c([N+](=O)[O-])c1 12807954 ZAAWTCJFUFBQAE-UHFFFAOYSA-N 405.457 3.205 5 40 HGBB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 17089821 KTSFAAJCCCFDDM-UHFFFAOYSA-N 414.443 3.020 5 40 HGBB CCOc1cc2c(cc1CNC(=O)c1ccc(-n3ccnc3)c([N+](=O)[O-])c1)O[C@H](C)C2 32741040 DWDYIXRJHCRLBO-CQSZACIVSA-N 422.441 3.433 5 40 HGBB Cc1c(NC(=O)CS(=O)(=O)c2cccc(Br)c2)cccc1[N+](=O)[O-] 40143526 ODFSFMNANKURHD-UHFFFAOYSA-N 413.249 3.078 5 40 HGBB Cc1c(C(=O)CN2CCN(Cc3ccc([N+](=O)[O-])cc3)CC2)c2ccccc2n1C 2274077 MMFIDRFUNBWYBU-UHFFFAOYSA-N 406.486 3.395 5 40 HGBB Cc1nnc2sc(-c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)nn12 9190307 ZDDAUHJYVDEIKL-UHFFFAOYSA-N 410.415 3.087 5 40 HGBB Nn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 9439651 QFWDASLTNNETGG-UHFFFAOYSA-N 422.829 3.090 5 40 HGBB O=C(NCCc1ccc2c(c1)OCCO2)c1cc([N+](=O)[O-])ccc1N1CCCCC1 14866833 FPXCRUIQOOETMX-UHFFFAOYSA-N 411.458 3.329 5 40 HGBB Cc1sc2nc3c4ccccc4c(NCCCN4CCOCC4)nn3c(=O)c2c1C 25330216 QCUMHWCLZUGVBJ-UHFFFAOYSA-N 423.542 3.208 5 40 HGBB C[C@H]1CN([C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)C[C@H](C)O1 36664754 NYFHBIAJUKMRKB-BHDSKKPTSA-N 410.685 3.130 5 40 HGBB CCN(Cc1nc(-c2cccs2)no1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223763253 GKVJJYCOVARBAI-UHFFFAOYSA-N 408.461 3.226 5 40 HGBB Cc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1Cl 220027457 SRJMTLBZOWEFMK-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2[N+](=O)[O-])N3)C1 4524984 RPOHLHCXNCVAIB-OAHLLOKOSA-N 402.432 3.025 5 40 HGBB C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)C[C@@H](C)O1 24263510 VNWDUMAJDWGYOQ-GASCZTMLSA-N 411.458 3.141 5 40 HGBB C[C@H](NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 8417250 JHOZXAQJLIJUGZ-HNNXBMFYSA-N 413.430 3.124 5 40 HGBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(OC)cc3[N+](=O)[O-])n2)cc1 9699127 UZHNQMLTWVXCKS-UHFFFAOYSA-N 415.431 3.128 5 40 HGBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)CC1 12998274 RDSQKWMFNYJNNT-FPYGCLRLSA-N 423.425 3.214 5 40 HGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17087501 LOSLKAWMHSPDOT-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)NCc1ccc(Cn2cncn2)cc1 32868925 PAYVZBVWGYSEFT-UHFFFAOYSA-N 408.462 3.011 5 40 HGBB Cc1ccc(-c2nc(COc3ccc(S(N)(=O)=O)cc3[N+](=O)[O-])co2)c(C)c1 48236083 NSEAMSZKDKEPPP-UHFFFAOYSA-N 403.416 3.093 5 40 HGBB CC(=O)N1CCN(c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 408629037 IYKQLQFLIUVMLL-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB COc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C 787045 APMDLVJXSVRWJB-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1ccc(Cl)c(C(=O)O)c1 6882725 JTDJRSSWMRESEY-QPJJXVBHSA-N 405.819 3.473 5 40 HGBB CCC[C@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 6946651 CSIBYGWHPBGNFX-HNNXBMFYSA-N 405.476 3.095 5 40 HGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)CCS(=O)(=O)c3ccccc3)nc12 9599516 HBXYRYIKVUCBED-UHFFFAOYSA-N 421.456 3.016 5 40 HGBB CSc1n[nH]c(-n2ccc3nc4ccn([C@@H]5CCCC[C@H]5C)c(=O)c4cc3c2=O)n1 40398865 DIVOGUQDRRZMQA-SJKOYZFVSA-N 422.514 3.292 5 40 HGBB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224646796 QMOIDEMYMNYDDX-OAHLLOKOSA-N 401.438 3.218 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@H]1CCCO1 5253157 WPHMIGQURFEFIM-BEFAXECRSA-N 406.394 3.425 5 40 HGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(F)cc1 9235026 IACUFXSGXBBDBU-WEVVVXLNSA-N 413.361 3.281 5 40 HGBB COc1ccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 32100972 LOLATABBDBZXET-QGZVFWFLSA-N 409.320 3.105 5 40 HGBB CCOC(=O)c1cc(N2CCC(NC(=O)C3CCCCC3)CC2)ccc1[N+](=O)[O-] 79048234 VPCUZRPITARUDN-UHFFFAOYSA-N 403.479 3.437 5 40 HGBB COc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1OC 408628763 XFIDKXIPHDTHGQ-UHFFFAOYSA-N 405.838 3.228 5 40 HGBB Cc1ccc(N(CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)C(=O)c2ccco2)cc1 710967 KHQJCBALGKKZBY-UHFFFAOYSA-N 405.366 3.397 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1N1CCCCC1 6615706 HTLVYMDAFQJWKR-UHFFFAOYSA-N 414.487 3.477 5 40 HGBB CCOC(=O)N1CCN(C(=O)CSc2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9466092 NCWDAJGHSRMSMO-UHFFFAOYSA-N 421.397 3.006 5 40 HGBB O=C(O[C@H]1CCC[C@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 18258489 WKLGTEJICMXJTJ-CALCHBBNSA-N 400.343 3.438 5 40 HGBB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)ccc1OC 408588028 WDIUBJPVUNBRAG-UHFFFAOYSA-N 409.420 3.281 5 40 HGBB CC(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(=O)O 3886171 OPRRBLQVHCAVFZ-INIZCTEOSA-N 413.496 3.071 5 40 HGBB CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@H](CC)C2=O)cc1[N+](=O)[O-] 6758205 NPBYBTOQAIWCPL-QGZVFWFLSA-N 412.398 3.016 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(N2CCC[C@@H](C(F)(F)F)C2)c([N+](=O)[O-])c1 9867618 NQXPBIQYOKIADY-GFCCVEGCSA-N 409.430 3.404 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714611 FOIHNAKMNXQJND-MRXNPFEDSA-N 411.867 3.432 5 40 HGBB CCOc1ccccc1-n1cc2c(c1-c1cccc([N+](=O)[O-])c1)c(=O)n(C)c(=O)n2C 20443305 DOOLXNOAHXMXPB-UHFFFAOYSA-N 420.425 3.002 5 40 HGBB COc1ccc([C@@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 27946821 ACFZLZYNAOJVSV-LJQANCHMSA-N 419.503 3.027 5 40 HGBB CCOc1ccc([C@@H](N)c2n[nH]c(COc3ccc([N+](=O)[O-])cc3)n2)cc1OCC 95534561 YCWQUPWIOMDKCN-LJQANCHMSA-N 413.434 3.137 5 40 HGBB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(Cc4ccccc4[N+](=O)[O-])C3=O)ccc21 215012509 DTAWZPJNJMPVBG-LICLKQGHSA-N 424.438 3.022 5 40 HGBB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)ccc1[N+](=O)[O-] 216487142 JCAPLRPCSCENOB-UHFFFAOYSA-N 412.427 3.351 5 40 HGBB CCCCN(C)C(=O)[C@@H](C(=O)c1cccc([N+](=O)[O-])c1)n1cc(Cl)ccc1=O 4679918 XIHZFITUHPNOAX-QGZVFWFLSA-N 405.838 3.092 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(F)c(F)c2)cc1 11665602 QIEZCHPRAFRVNP-IBGZPJMESA-N 419.409 3.468 5 40 HGBB CC(C)c1nnc(NC(=O)[C@@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])s1 13150634 HXCCBNZBOCQCHO-ZDUSSCGKSA-N 404.452 3.205 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713565 ATHQZZFEXBRVCQ-KRWDZBQOSA-N 421.475 3.095 5 40 HGBB Cc1cccc(Cn2nccc2NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 30527869 JGZHVIQKGQUGDE-UHFFFAOYSA-N 421.457 3.237 5 40 HGBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccccc1 33460050 VQOYYEQCFCAARY-CSKARUKUSA-N 423.381 3.172 5 40 HGBB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 408944960 JXSDDRGPHNJASB-UHFFFAOYSA-N 409.398 3.473 5 40 HGBB COc1ccc(CCN(C)C(=O)COc2ccc([N+](=O)[O-])cc2Cl)cc1OC 5938396 UAEBMWUSOOISSZ-UHFFFAOYSA-N 408.838 3.345 5 40 HGBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1=COCCO1 8735898 CTWOXVXMFLSWTQ-KRWDZBQOSA-N 418.789 3.359 5 40 HGBB COc1cccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)c1 13382202 AGLIOSGRDOVVMV-UHFFFAOYSA-N 419.440 3.145 5 40 HGBB CN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 17088270 ZYTMYIBQHCCHJJ-UHFFFAOYSA-N 409.490 3.199 5 40 HGBB O=C(CN(Cc1ccco1)Cc1ccco1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 24772074 QUAWPOITJRVTLL-UHFFFAOYSA-N 424.457 3.132 5 40 HGBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 53898822 PIRVFEGBJVJPKD-UKRRQHHQSA-N 401.297 3.028 5 40 HGBB Cc1ccccc1CNC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222373613 DGLKJVLQYLVWER-UHFFFAOYSA-N 419.503 3.074 5 40 HGBB COc1ccc(S(=O)(=O)N(C)c2cc([N+](=O)[O-])ccc2C)cc1Br 224885156 IPULNUYXHOHXQR-UHFFFAOYSA-N 415.265 3.499 5 40 HGBB COCCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C1=O 409236665 SWBNSOKJSXBCAC-IZZDOVSWSA-N 417.237 3.136 5 40 HGBB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 2313646 ZBODNWBFZRIYLO-LLVKDONJSA-N 401.375 3.280 5 40 HGBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])c(OC)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 105394517 LUHUMEMVFWVAMI-UHFFFAOYSA-N 406.307 3.071 5 40 HGBB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 409123864 ILTGZNMGBXINJK-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1cc(F)c(F)cc1Cl 4869925 UXJVBUUQSHEQNE-UHFFFAOYSA-N 400.721 3.331 5 40 HGBB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10336066 HRLACCIHBBIRNX-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB O=C(CN1CCC(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1)Nc1ccccc1 12614769 RCCHYYVRRQYOBJ-UHFFFAOYSA-N 416.865 3.081 5 40 HGBB COC(=O)C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1cccs1 32900539 JSTIITRPIWTDPO-CQSZACIVSA-N 403.460 3.291 5 40 HGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccccc2O)CC1 58160260 KIRYUFFBMRZPFG-CYBMUJFWSA-N 404.854 3.103 5 40 HGBB COC(=O)c1c(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)sc2c1CCCC2 14401703 KWXSKWOAHBMILA-UHFFFAOYSA-N 410.473 3.431 5 40 HGBB COc1ccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 58231071 LCMMJQZEGUYJLZ-CQSZACIVSA-N 424.862 3.091 5 40 HGBB O=C(Nc1ccc(Cc2ccncc2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 62579959 DKYXSVXZZJQCQM-UHFFFAOYSA-N 418.457 3.330 5 40 HGBB CCOC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(SC)cc1 224990113 FSYGIMNJARBECH-UHFFFAOYSA-N 424.500 3.384 5 40 HGBB COc1ccc(-n2nc([N+](=O)[O-])c(Nc3cc(C)c(Cl)cc3OC)[n+]2[O-])cc1 4922745 ONGJBJBDCMVBHF-UHFFFAOYSA-N 405.798 3.137 5 40 HGBB Cc1ccc(Nc2nc(N)c([N+](=O)[O-])c(N3CCN(Cc4ccccc4)CC3)n2)cc1 5163996 ZCGITIOGNKNSSQ-UHFFFAOYSA-N 419.489 3.341 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 408562830 DRQDEYGYBIXICN-XJKSGUPXSA-N 401.341 3.003 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc2ncsc2c1 3478840 VJHXVYISFLRNPY-SNVBAGLBSA-N 401.400 3.397 5 40 HGBB COC(=O)c1ccc(-n2cc(OC(C)=O)c3c2nc(C)[n+]2c4ccccc4[nH]c32)cc1 5705577 SHVRHYYJDOZRLK-UHFFFAOYSA-O 415.429 3.266 5 40 HGBB O=C1CCc2cc(C(=O)NCCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])ccc2N1 12527945 ZHZFMZGQTRKSHD-UHFFFAOYSA-N 422.363 3.340 5 40 HGBB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc([N+](=O)[O-])c1 26586048 QDSAQIOCXPHCTD-DYVFJYSZSA-N 424.409 3.288 5 40 HGBB CN(Cc1ccccc1N1CCCC1)S(=O)(=O)c1c[nH]c2cc([N+](=O)[O-])ccc12 83865561 BDJLUWPBOVFLPB-UHFFFAOYSA-N 414.487 3.497 5 40 HGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(C)c(C)c3)CC2)c([N+](=O)[O-])c1 408571483 CJNKUJCCFUOWRP-UHFFFAOYSA-N 411.458 3.351 5 40 HGBB Cc1ccc(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1C 409409655 PSVUASSRBVDMTD-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB CC(C)N(Cc1nc(-c2ccccc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 4958744 XCDMLRWWQJLDEF-UHFFFAOYSA-N 402.432 3.244 5 40 HGBB O=C(c1ccco1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9720442 ITMZHHJODJCDEM-UHFFFAOYSA-N 414.296 3.077 5 40 HGBB CCCn1c(=N)c(C(=O)N[C@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 16742242 DDFYZVBWEJXGOS-MRXNPFEDSA-N 415.497 3.338 5 40 HGBB O=C(O)COCC[N+]1([O-])CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 22054206 IVDOUUOLLFEMJQ-OAQYLSRUSA-N 404.894 3.161 5 40 HGBB in-vitro O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2F)cc1 32640703 WCIGIXNUKOQFOL-NVXWUHKLSA-N 421.475 3.009 5 40 HGBB CC[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 218052793 XENKOXZXKXYERE-SFHVURJKSA-N 422.528 3.499 5 40 HGBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 409158473 SYPWFYDNLASSRX-MHWRWJLKSA-N 413.411 3.278 5 40 HGBB NC(=O)c1cn(-c2ccccc2)nc1[C@@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 583621538 YUYGBKISCPTXQI-QGZVFWFLSA-N 405.458 3.259 5 40 HGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccccc1OC(F)F 9384551 ZQSWSXOUCVHGQJ-UHFFFAOYSA-N 422.373 3.123 5 40 HGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@@H](c2ccccc2Cl)n2nnnc2N3)cc1 10296181 PVIBOXXLUKFFAM-MRXNPFEDSA-N 422.792 3.092 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 15410480 QTVURODXYGAQNU-UHFFFAOYSA-N 421.450 3.082 5 40 HGBB O=c1c2ccccc2c(-c2cccs2)nn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 24992184 ULRZDGCXYNZJDT-HNNXBMFYSA-N 423.450 3.473 5 40 HGBB COC(=O)c1c(NC(=O)Cn2nc(C(F)(F)F)c([N+](=O)[O-])c2C)sc(C)c1C 2786151 AJKIXILSGQCHBY-UHFFFAOYSA-N 420.369 3.222 5 40 HGBB CCC1(CC)NC(=O)N(CC(=O)OCc2cc(=O)oc3ccc4ccccc4c23)C1=O 3369235 HBBKUVYLGHAZIZ-UHFFFAOYSA-N 422.437 3.100 5 40 HGBB COc1cc(NC(=O)COC(=O)c2ccc(OC(C)C)cc2)c(C)cc1[N+](=O)[O-] 4331931 LFIBASUAENKLQN-UHFFFAOYSA-N 402.403 3.495 5 40 HGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2)n2nnnc2N3)cc1 10296173 ZCRKFZWDQLFVRC-INIZCTEOSA-N 422.792 3.092 5 40 HGBB Cc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 10336230 JZALNSNSNYNXSU-UHFFFAOYSA-N 412.471 3.371 5 40 HGBB C[C@H](Nc1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 30026730 QIHIKSUEIIPGBX-JTQLQIEISA-N 412.855 3.059 5 40 HGBB COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2ccc([N+](=O)[O-])cc2)n1 35424897 LSIMCDXVDGMBPG-SFHVURJKSA-N 424.461 3.435 5 40 HGBB biogenic,in-vitro COc1ccc(Br)cc1C(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21 73642405 AJKDQXBWVAHWOI-UHFFFAOYSA-N 404.220 3.445 5 40 HGBB CC(C)c1nc2sc3c(ncn4c(SCC(N)=O)nnc34)c2c2c1CCCC2 2316270 XZSBNLBJEMUEPZ-UHFFFAOYSA-N 412.544 3.467 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Cl)c([N+](=O)[O-])c1 8902446 MRPLLLNEYUXTOG-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB CSc1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220387113 VXWYIHVNVQTYFV-CYBMUJFWSA-N 423.516 3.418 5 40 HGBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O 409354348 CRQWBNZLZUQKCB-MHWRWJLKSA-N 413.411 3.278 5 40 HGBB Cc1ccc(NC(=O)N2NC(=O)CC23CCN(c2ccc([N+](=O)[O-])cc2)CC3)cc1 4052757 JQJFDGYRUINQEZ-UHFFFAOYSA-N 409.446 3.211 5 40 HGBB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3cccc([N+](=O)[O-])c3)co2)n1 4377280 KKIUONNVAUJUSQ-UHFFFAOYSA-N 413.411 3.466 5 40 HGBB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1[N+](=O)[O-] 6966941 WKNZHHWFCQKWRW-UHFFFAOYSA-N 404.810 3.427 5 40 HGBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)COc3ccc([N+](=O)[O-])cc3)nc12 10010671 MKRSPBUCTTVSBV-UHFFFAOYSA-N 404.360 3.139 5 40 HGBB O=C(NC1CCN(C(=O)C2CC2)CC1)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 12537501 OHRKJJQGDCNIAJ-UHFFFAOYSA-N 408.458 3.469 5 40 HGBB COc1ccc(NC(=O)CSc2nc(O)c3c(C)csc3n2)c([N+](=O)[O-])c1 408597837 FDKHTGNBJZUUPH-UHFFFAOYSA-N 406.445 3.353 5 40 HGBB COC(=O)c1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)cc([N+](=O)[O-])c1 3219532 JNSCMRWPPFYCMC-UHFFFAOYSA-N 408.366 3.330 5 40 HGBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccccc1 5572022 OFRUACXZTWNROF-UHFFFAOYSA-N 404.879 3.085 5 40 HGBB COCc1nc2ccccc2c(C)c1C(=O)OCc1ccc(C(N)=O)cc1[N+](=O)[O-] 12846967 ZSEBELUDKZHZAU-UHFFFAOYSA-N 409.398 3.054 5 40 HGBB Cc1cc(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)ccc1[N+](=O)[O-] 15880809 IZIHSSHUNWZSOG-UHFFFAOYSA-N 412.427 3.016 5 40 HGBB CCOC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O 205690438 MRCCYMFIGUSHQJ-MHWRWJLKSA-N 415.427 3.044 5 40 HGBB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1ccc([N+](=O)[O-])cc1 9599789 JMLYMDANJXFAJV-UHFFFAOYSA-N 412.456 3.492 5 40 HGBB CCn1c(=O)n(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 10904012 MXLRDQOLXFJWEN-UHFFFAOYSA-N 402.838 3.043 5 40 HGBB CCN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)C[C@@H]1COc2ccccc2O1 13000038 JUIAZLQUKGZPSG-CQSZACIVSA-N 405.838 3.349 5 40 HGBB Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 65591110 IWFYQBYCZHTJJC-BBRMVZONSA-N 402.476 3.232 5 40 HGBB O=C(/C=c1/[nH]c(=O)/c(=C/c2cc([N+](=O)[O-])ccc2Cl)s1)c1ccc(Cl)cc1 103336941 UBGYRHRBPYYZFL-JCDHFMOQSA-N 421.261 3.144 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1Cl 408664604 ROVRJHQFPYZLDG-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB O=C(O)C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-] 3325317 QFRJJEXXPAFRLK-ZDUSSCGKSA-N 419.242 3.396 5 40 HGBB CCOc1ccc(C(=O)CN2C(=O)c3ccccc3O[C@@H](CC)C2=O)cc1[N+](=O)[O-] 6758206 NPBYBTOQAIWCPL-KRWDZBQOSA-N 412.398 3.016 5 40 HGBB COCCCn1c(-c2ccc(OC)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 9242814 QBEVIHMZRWGOQB-UHFFFAOYSA-N 422.437 3.224 5 40 HGBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3C[C@@H](C)C[C@H](C)C3)n2)c1 17206699 DFPJNFKYQFGQPW-RYUDHWBXSA-N 402.455 3.210 5 40 HGBB COc1cccc(OC)c1OC1CCN(C(=O)c2ccc([N+](=O)[O-])c(O)c2)CC1 95953080 PHRUOFLKGHGLPI-UHFFFAOYSA-N 402.403 3.001 5 40 HGBB C/C=C\c1ccc(OS(=O)(=O)c2ccc(C(=O)OC)cc2[N+](=O)[O-])c(OC)c1 97005076 XOXOTGKVNYTLAN-PLNGDYQASA-N 407.400 3.191 5 40 HGBB CCCCNC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(Cc2ccccc2)c1=N 101116375 OEHOBSFVOCYHDI-UHFFFAOYSA-N 415.497 3.015 5 40 HGBB aggregator CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225576005 RNAIXPVGIQJPFL-OAHLLOKOSA-N 401.438 3.218 5 40 HGBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1Cc1ccccc1 1049531 LBHUPSSHOCUKJM-LQDNNDEMSA-N 410.429 3.467 5 40 HGBB O=C(Cc1ccc(F)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 10186770 VMKORUXPGJWDOY-UHFFFAOYSA-N 421.431 3.204 5 40 HGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])cc1Cl 10810132 ZYASREIDPDODMD-LBPRGKRZSA-N 402.838 3.448 5 40 HGBB COc1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 16021215 JKLYZLATRPHRPN-UHFFFAOYSA-N 414.443 3.302 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1ccc(Cl)cc1)c1cccc([N+](=O)[O-])c1 222684353 GACITXLVVAFGGO-UHFFFAOYSA-N 411.867 3.433 5 40 HGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 408663864 PBXDVQJNAWNXOQ-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB CCc1cccc(CC)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 409123142 FJMHVVJMUDSVJT-UHFFFAOYSA-N 405.476 3.124 5 40 HGBB COCCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nc2ccccc21 2623308 NCEGDBHVUHYHGZ-UHFFFAOYSA-N 404.423 3.461 5 40 HGBB COc1ccc(OC)c(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c1 5270752 GUTIORGKDYVHSS-UHFFFAOYSA-N 409.398 3.074 5 40 HGBB CC[C@@H](C(=O)Nc1ccc(Cl)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514517 OIMSJYIJSQMGPG-INIZCTEOSA-N 411.867 3.432 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C)n1C[C@@H]1CCCO1 887432 AIZVJGAHMFGIRU-DOMZBBRYSA-N 405.480 3.101 5 40 HGBB Cc1ccc(C)c(N2CCN(C(=O)c3cc4cc([N+](=O)[O-])ccc4oc3=O)CC2)c1 1073131 JRSFANMSJSLQKA-UHFFFAOYSA-N 407.426 3.280 5 40 HGBB CC1=NN(C(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)[C@@](O)(C(F)(F)F)C1 4652178 YEOUKCJUEOOJRD-INIZCTEOSA-N 413.308 3.240 5 40 HGBB COc1cc(NC(=O)COC(=O)CSc2ccccc2F)c(C)cc1[N+](=O)[O-] 5419242 JNJHWELHNKPDIB-UHFFFAOYSA-N 408.407 3.325 5 40 HGBB O=C(COC(=O)Cc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 7562407 ZRUSXIWEPPZSDR-UHFFFAOYSA-N 400.284 3.477 5 40 HGBB Cc1cc(C(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)ccc1[N+](=O)[O-] 7814348 GJMNGXUJHSPCAK-UHFFFAOYSA-N 415.427 3.227 5 40 HGBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccc(Cl)cc1 7881398 SSWZJJRYMLHRCN-TZMCWYRMSA-N 416.817 3.416 5 40 HGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(C)cc2)cc1[N+](=O)[O-] 8433945 GVVNFWPDRWDGLO-UHFFFAOYSA-N 414.414 3.447 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCS(=O)(=O)c1ccc(Cl)cc1 10219116 ROYJNAHGZDJGNZ-UHFFFAOYSA-N 412.851 3.449 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NC(C)C)c3)CC2)cc1 10231817 XPSPBCAZPSVTDY-UHFFFAOYSA-N 418.519 3.234 5 40 HGBB O=C(c1ccc([N+](=O)[O-])s1)N(CCN1CCOCC1)c1nc2ccccc2s1 22998146 KTIJLHGSFPHGRK-UHFFFAOYSA-N 418.500 3.245 5 40 HGBB Cn1cc([N+](=O)[O-])cc1C(=O)OCc1nnc(-c2ccc(Br)s2)o1 24536718 VTHGWIGNZFUKNC-UHFFFAOYSA-N 413.209 3.164 5 40 HGBB O=C(NCc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 47699718 VKTXEGUBYBYZLK-UHFFFAOYSA-N 418.475 3.091 5 40 HGBB COc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 7813596 DQNOROMQHHGMKD-CABCVRRESA-N 400.431 3.286 5 40 HGBB Cc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 8498842 GYRUWJBUURQBFZ-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=C(Nc1ccc(F)cc1)NC1CCN(C(=O)Cc2ccccc2[N+](=O)[O-])CC1 36397650 WTDIZMSGCYLPOY-UHFFFAOYSA-N 400.410 3.089 5 40 HGBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccccc2O)CC1 58159060 ZSLXQDSXQBYVFG-CYBMUJFWSA-N 404.854 3.103 5 40 HGBB CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100826803 BHTYCAOUJRIUIW-HNNXBMFYSA-N 422.510 3.241 5 40 HGBB CCOc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC 408566453 OFOLGAZSUXBJCX-LVWPNOBMSA-N 411.458 3.006 5 40 HGBB Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1Cc1ccco1 2621470 XPOZTSJGAZBIAF-UHFFFAOYSA-N 406.398 3.247 5 40 HGBB Cn1cnnc1Sc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1[N+](=O)[O-] 8776785 SBGHQNCAHOWQST-UHFFFAOYSA-N 402.461 3.072 5 40 HGBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H]1c1nnc2ccccn12 29074215 AAZGUBQLWXXRRE-QGZVFWFLSA-N 406.446 3.215 5 40 HGBB CC[C@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 100826790 DJOGJRCRWNPRAO-HNNXBMFYSA-N 422.510 3.241 5 40 HGBB O=C(CCS(=O)(=O)c1ccc(F)cc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 4496258 IGELMYNGFCIZGE-UHFFFAOYSA-N 409.420 3.146 5 40 HGBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 5846261 HCZMSTACRZIMIV-UHFFFAOYSA-N 413.415 3.334 5 40 HGBB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 6245488 CYYNEJWXVMRDFC-UHFFFAOYSA-N 412.446 3.278 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 8475219 NUCJFJPHBUIVCD-IAGOWNOFSA-N 407.426 3.327 5 40 HGBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)N(Cc1cccnc1)Cc1ccco1 32905888 CFZIRHBMSVMVFY-UHFFFAOYSA-N 422.441 3.262 5 40 HGBB CCC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1 78933854 ABKTZGOCLYAWEJ-APWZRJJASA-N 416.522 3.304 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)n1 4257266 MGVCXKGITHCUPB-UHFFFAOYSA-N 407.342 3.403 5 40 HGBB O=C(Oc1ccc(Br)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 4614993 DVHGZBGRWZKJSX-UHFFFAOYSA-N 407.220 3.413 5 40 HGBB O=[N+]([O-])c1ccc(Sc2ccccc2Cl)c(S(=O)(=O)N2CCOCC2)c1 8515769 OBVXUOAOEOUAQC-UHFFFAOYSA-N 414.892 3.420 5 40 HGBB COC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 8729480 ZRWJNKBEYPHHHF-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB COc1cccc(CN(C)CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)c1 9453871 OOTIJCRZRINZTE-UHFFFAOYSA-N 408.252 3.436 5 40 HGBB Cc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 220379033 CTPODZLWODJNGD-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB COCCN(CCOC)C(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C 4931034 HNXHXXQGTVKCQO-UHFFFAOYSA-N 418.475 3.014 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)c1 13083989 NIUKWQPWMLYKBH-LBPRGKRZSA-N 420.472 3.275 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n1)NCc1ccc(F)cc1 20530663 PJPAHIIENCMDOV-UHFFFAOYSA-N 420.404 3.100 5 40 HGBB CC[C@@H](C(=O)Nc1ccc(C)c(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513789 DOYPVDFWBSAOAP-SFHVURJKSA-N 405.476 3.395 5 40 HGBB Cc1c(NS(=O)(=O)c2ccc(NC(=O)N3CCCC3)cc2)cccc1[N+](=O)[O-] 408561337 HZCIQVVOLIWOOP-UHFFFAOYSA-N 404.448 3.332 5 40 HGBB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409249201 JTRUTSFQYDZWOS-GZTJUZNOSA-N 411.414 3.485 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 409357930 SBWZFPDJPAPJDA-WOJGMQOQSA-N 423.450 3.216 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(Cl)cc1)S(C)(=O)=O 409409559 HYSGRCCJSWHRQF-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CCN1CCN(c2nn3c(=O)c4c5c(sc4nc3c3ccccc23)CCCC5)CC1 719354 ZLSYFZDMGPIZHI-UHFFFAOYSA-N 419.554 3.478 5 40 HGBB Cc1nc2ccc(I)cc2c(=O)n1-c1ccccc1[N+](=O)[O-] 3127938 JHAWINPRKISJHH-UHFFFAOYSA-N 407.167 3.207 5 40 HGBB O=C(CC(c1ccccc1)c1ccccc1)N[C@H](CO)[C@@H](O)c1ccc([N+](=O)[O-])cc1 3257126 FFTBGPXVRJDKQD-VWNXMTODSA-N 420.465 3.328 5 40 HGBB O=C(NCCc1csc2nc(-c3ccccc3F)nn12)c1ccc([N+](=O)[O-])cc1 4375611 HZRFOCSNPASZOG-UHFFFAOYSA-N 411.418 3.478 5 40 HGBB CCc1ccccc1NC(=O)CCC(=O)OCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 7939832 MZUOYEJBPWVASS-UHFFFAOYSA-N 413.430 3.366 5 40 HGBB Cc1nc2sccc2c(=O)n1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 21903958 RZGRXIPZTGFYPP-UHFFFAOYSA-N 413.459 3.049 5 40 HGBB CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 408998089 ACUAYQMDOUJHDN-IBGZPJMESA-N 414.414 3.272 5 40 HGBB COC[C@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1ccccc12 2323334 KOYFFRBXJPIQAF-LBPRGKRZSA-N 402.410 3.481 5 40 HGBB O=C(Nc1ccc(F)c([N+](=O)[O-])c1)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270765 NBNDCJAADZNEBL-UHFFFAOYSA-N 412.333 3.104 5 40 HGBB Cc1ccc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c1 7820005 IFIMLVHLBKWWRG-CYBMUJFWSA-N 400.387 3.167 5 40 HGBB Cc1cc(C)c(NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 10328198 QEAXZCQGTCNIPZ-UHFFFAOYSA-N 405.476 3.233 5 40 HGBB Cc1ccc(OCC(=O)Nc2cc3c(cc2Br)OCCO3)c([N+](=O)[O-])c1 11066330 VDFIFSLDQOFYBM-UHFFFAOYSA-N 423.219 3.454 5 40 HGBB O=C(Nc1cc2c(cc1Cl)OCCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12636124 LKXJDFKQHSOELI-UHFFFAOYSA-N 419.821 3.108 5 40 HGBB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 4519340 JOCOQGSRHRWZDN-HNNXBMFYSA-N 406.441 3.194 5 40 HGBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Nc2cccc(O)c2)c1 4595489 ASIZTXXHSTTYAE-UHFFFAOYSA-N 413.411 3.354 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccccc3)[C@@H]2C(C)C)cc1[N+](=O)[O-] 4681133 HBQHOPAFPCWZLX-IBGZPJMESA-N 417.487 3.032 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1[N+](=O)[O-] 16227703 ISXUCDSMWWGTGJ-UHFFFAOYSA-N 409.807 3.082 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)cc1 52979781 UWMHRZRRHUTODW-INIZCTEOSA-N 417.487 3.251 5 40 HGBB CN(C)S(=O)(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1Cl 6048861 JLTUGVGYEQMZJO-RMKNXTFCSA-N 409.851 3.150 5 40 HGBB COc1ccc(N2C[C@@H](C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)CC2=O)cc1 8473854 WWGUGWJAKKFEOI-NSHDSACASA-N 412.427 3.205 5 40 HGBB CCN1CCN(c2c(Cl)cccc2NC(=O)COc2ccc([N+](=O)[O-])cc2)CC1 9668715 BGOPIMNJWULWQN-UHFFFAOYSA-N 418.881 3.408 5 40 HGBB Cc1cc(C)cc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 17089878 LJYXJUPNWSEHCI-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB O=C(N[C@@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 19878827 VNGYNTWAZUQEHI-CQSZACIVSA-N 403.653 3.206 5 40 HGBB CC[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 408640114 AJTSIRLELNSILD-APWZRJJASA-N 410.426 3.461 5 40 HGBB NC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 1880193 ZHPDQXZWDMETTF-UHFFFAOYSA-N 410.411 3.081 5 40 HGBB O=C(COc1ncnc2ccccc12)Nc1ccc([N+](=O)[O-])cc1Br 5504458 LQJWHBCIUZJSDV-UHFFFAOYSA-N 403.192 3.318 5 40 HGBB C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccc(Cl)cc1 12554489 UIXFQHPWTLFMLJ-AWEZNQCLSA-N 402.882 3.491 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1cccc(C)c1[N+](=O)[O-] 15712033 ZLGDBWOBBDFLBS-UHFFFAOYSA-N 417.487 3.137 5 40 HGBB O=C(NC[C@@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(F)cc1 32795468 BUFOPHRRNZNCNZ-HXUWFJFHSA-N 408.385 3.428 5 40 HGBB Cc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 220378393 NGFGKTCFRKEVDM-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 223772405 OEUSEBHZBWPSSU-UHFFFAOYSA-N 422.850 3.427 5 40 HGBB CC[C@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514438 UAHNYKYIOCROSS-MRXNPFEDSA-N 411.867 3.432 5 40 HGBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223023593 IVICGKPXEDNDCX-VQTJNVASSA-N 423.498 3.399 5 40 HGBB CN(C)[C@H](CNC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 5636824 WRAFCZXAQUDMQD-CQSZACIVSA-N 400.357 3.038 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1ccccc1Br 20611687 ASDKZVJBIIJSOO-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB O=c1c2ccccc2c(-c2cccs2)nn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 24992180 ULRZDGCXYNZJDT-OAHLLOKOSA-N 423.450 3.473 5 40 HGBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)N2CCCCC2)cc1OC 40087612 BVGMQMDOBBSACQ-UHFFFAOYSA-N 413.430 3.490 5 40 HGBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)C)cc1 225667796 LOQHRYKKPSXWLA-INIZCTEOSA-N 413.474 3.088 5 40 HGBB CCOC(=O)C1=C(C)N(C)[C@@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)S1 20442406 UGWFSBKIJJEKAD-KRWDZBQOSA-N 422.488 3.135 5 40 HGBB O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccccc1[N+](=O)[O-] 20739395 GLZYBAPMUPOAIU-AWEZNQCLSA-N 412.793 3.029 5 40 HGBB Cc1cc([N+](=O)[O-])c(C)c(S(=O)(=O)Nc2ccccc2C(=O)NCC2CC2)c1 29792208 JDISBOROQJWOOR-UHFFFAOYSA-N 403.460 3.152 5 40 HGBB COC(=O)c1cc(C(=O)Nc2nc3ccccc3nc2N2CCCC2)cc([N+](=O)[O-])c1 32871767 WUZVYFKXWFPBBP-UHFFFAOYSA-N 421.413 3.177 5 40 HGBB O=C(COC(=O)CCOc1ccccc1)Nc1nc2ccc([N+](=O)[O-])cc2s1 3435019 HQUTVKQLAIAEIT-UHFFFAOYSA-N 401.400 3.155 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(F)cc2)cc1 4853905 WWEJOOKQEYCFTC-LJQANCHMSA-N 401.419 3.329 5 40 HGBB Cc1csc(CC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)n1 9516203 KRFFEZZOGPBJLN-UHFFFAOYSA-N 414.409 3.270 5 40 HGBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 3498064 JSWIPAYDOHPGAY-SNVBAGLBSA-N 408.794 3.449 5 40 HGBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 4878815 HTPKBIWMFRZZAE-SFHVURJKSA-N 405.418 3.126 5 40 HGBB O=C(C1CC1)N1CCCc2cc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)ccc21 5099567 QKMOALVOYPMBAK-UHFFFAOYSA-N 401.444 3.085 5 40 HGBB CSc1cccc(Nc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])c1 6552347 CSQVDEFDKKTYHQ-UHFFFAOYSA-N 409.489 3.081 5 40 HGBB COc1ccc(OC)c(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)c1 12522200 BEQZOGVQBGVRBI-UHFFFAOYSA-N 408.458 3.482 5 40 HGBB Cc1cccc(C)c1OC[C@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O 12752749 OFJMIUSHAMJHJG-CYBMUJFWSA-N 403.822 3.015 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)N1CCCCC1 14398198 PAULQCBMFGSLOL-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1 5131514 DDNSZKFEPBPMDM-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB CCCNS(=O)(=O)c1ccc(CCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 6880284 DPINKEXWZWEGIG-UHFFFAOYSA-N 405.476 3.163 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187218 SESNDBIXKLHKOP-LBPRGKRZSA-N 415.880 3.102 5 40 HGBB COc1ccc(/C=C2\SC(=N)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 13426749 RYSMTPCABGKXJP-CHHVJCJISA-N 416.371 3.443 5 40 HGBB CNc1snc(C)c1C(=O)OCC(=O)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 16551608 YGCUMZJDXONWPR-UHFFFAOYSA-N 418.353 3.216 5 40 HGBB O=C(c1cccc2c(=O)c3ccccc3[nH]c12)N1CC[C@@]2(C1)C(=O)Nc1ccccc12 683573590 KCCZDHBEANQQAS-VWLOTQADSA-N 409.445 3.417 5 40 HGBB COc1ccc(OC)c(C(=O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)c1 1781937 ZGLIERRCDLFFFS-KRWDZBQOSA-N 414.478 3.388 5 40 HGBB biogenic O=C(Cc1ccccc1)NC(NC(=O)Cc1ccccc1)c1ccccc1[N+](=O)[O-] 4727597 ITISSIJHZOHOSQ-UHFFFAOYSA-N 403.438 3.311 5 40 HGBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)COc2ccccc2[N+](=O)[O-])c1 5842225 YHYNHQFUESPEBC-UHFFFAOYSA-N 416.459 3.081 5 40 HGBB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccc([N+](=O)[O-])cc3[nH]2)cc1 9191613 BWNHMLGNQUJXLX-UHFFFAOYSA-N 400.416 3.379 5 40 HGBB C[C@H]1CN(Cc2csc(NC(=O)CCNc3ccccc3[N+](=O)[O-])n2)C[C@H](C)O1 12594661 CAYFJPJYHVTMKM-KBPBESRZSA-N 419.507 3.101 5 40 HGBB Cc1ccc(NC(=O)COc2ccc(CCN=c3cc[nH]cc3[N+](=O)[O-])cc2)cc1 608974630 ROTOLJSDYDKRQK-UHFFFAOYSA-N 406.442 3.392 5 40 HGBB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 10331304 AXKVVKBBOCASDT-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB O=C(CS(=O)(=O)Cc1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 10618967 PDKYIOPDOUKCJZ-UHFFFAOYSA-N 417.468 3.272 5 40 HGBB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccccc1[N+](=O)[O-] 14291345 NOWMFXWHUIMKOV-UHFFFAOYSA-N 410.415 3.330 5 40 HGBB COC(=O)c1c(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)sc2c1CCCC2 219822967 RSJLEWAQELMCND-UHFFFAOYSA-N 420.443 3.348 5 40 HGBB CCOC(CNC(=O)c1sc2nc(-c3cccc([N+](=O)[O-])c3)cn2c1C)OCC 4931094 HZBQIDNTCIHQOB-UHFFFAOYSA-N 418.475 3.408 5 40 HGBB CCOc1ncccc1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 6613111 MEKYQRPULUBLHZ-UHFFFAOYSA-N 413.308 3.203 5 40 HGBB CC(C)OC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7882604 CODOFUNVVGHOBC-HNNXBMFYSA-N 411.414 3.152 5 40 HGBB CC(C)Cc1cnc2c(c1SCc1ccc([N+](=O)[O-])cc1)c(=O)n(C)c(=O)n2C 15883703 DNSYYIPOZLMUTF-UHFFFAOYSA-N 414.487 3.031 5 40 HGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2Cl)c1=N 101086568 MLLSYRSVJNKGJY-UHFFFAOYSA-N 408.845 3.007 5 40 HGBB CCc1nnc(S/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)O)o1 408633455 YQRICJHHAJYQEC-UITAMQMPSA-N 416.209 3.226 5 40 HGBB COc1ccc(-n2cnnc2SCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 2627333 NSKOWIIYKUJWDK-UHFFFAOYSA-N 400.416 3.343 5 40 HGBB COc1cc(OC)cc(C(=O)N2CCN=C2SCc2cccc([N+](=O)[O-])c2)c1 4120660 SLRKWLUNRGPADF-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 4704892 IDJRPRFSGMGHPZ-MLPAPPSSSA-N 403.778 3.055 5 40 HGBB Cn1cnnc1Sc1ccc(C(=O)NCc2ccccc2Cl)cc1[N+](=O)[O-] 7062871 KFICLKWMLRPVEB-UHFFFAOYSA-N 403.851 3.458 5 40 HGBB CSc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 9284201 IKGXZBITKLZYOM-NSHDSACASA-N 418.427 3.272 5 40 HGBB COc1ccc(/C=C2\N=C(S)NC2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 27519508 WTKJITRLCOXKQI-WDZFZDKYSA-N 416.371 3.060 5 40 HGBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 53898821 PIRVFEGBJVJPKD-HIFRSBDPSA-N 401.297 3.028 5 40 HGBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1CC(C)C 103628281 PIARCDBOWYIHNV-DAFNUICNSA-N 424.501 3.099 5 40 HGBB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219823174 OIBOZIKFCQTLDD-UHFFFAOYSA-N 401.419 3.151 5 40 HGBB CC[C@@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222530629 RLOIHLNSPIPDDE-YJBOKZPZSA-N 419.503 3.325 5 40 HGBB Cc1ccc(C(=O)Oc2coc(CSc3nccn3C)cc2=O)cc1[N+](=O)[O-] 4251359 DDHJYZHQLYNUDW-UHFFFAOYSA-N 401.400 3.101 5 40 HGBB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 5197616 JVKVJMCPYNZMKZ-VIFPVBQESA-N 401.297 3.402 5 40 HGBB O=C(O)C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1Cl 9882913 QIUWUCCIXSFRCL-ZDUSSCGKSA-N 419.242 3.396 5 40 HGBB Cc1ccc(N2C(SCc3ccc([N+](=O)[O-])cc3)=N[C@@H]3CS(=O)(=O)C[C@H]32)cc1 32640711 GFTTYJGTCKASPW-QZTJIDSGSA-N 417.512 3.178 5 40 HGBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 100901389 HYFHXRTXODHYDI-HIFRSBDPSA-N 406.181 3.194 5 40 HGBB COc1cccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc([N+](=O)[O-])c2)c1 827418 NZFCHUKKZJCGNI-QGZVFWFLSA-N 409.320 3.213 5 40 HGBB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccccc1[N+](=O)[O-] 6788384 CMSJSMDIOQGTFU-UHFFFAOYSA-N 403.460 3.412 5 40 HGBB CCCC[C@@H](c1nnnn1C(C)(C)C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 35313893 RKXHIUUJEOBQEG-SFHVURJKSA-N 401.515 3.390 5 40 HGBB CCOc1ccc(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cn1 48374779 RENHRSZWOPXVKQ-UHFFFAOYSA-N 424.379 3.370 5 40 HGBB O=[N+]([O-])c1ccc(OS(=O)(=O)c2ccc(Br)cc2)c([N+](=O)[O-])c1 2066056 LNQQXAMVLUNEDV-UHFFFAOYSA-N 403.166 3.033 5 40 HGBB O=C(Nc1sc2c(c1C(=O)N1CCOCC1)CCCC2)c1ccc([N+](=O)[O-])cc1 2755889 BQPVMIAGZNDZSS-UHFFFAOYSA-N 415.471 3.260 5 40 HGBB COc1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1OC 10187962 DJDUNTAZCWTCME-UHFFFAOYSA-N 409.398 3.074 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc(OC(C)C)cc1)S(C)(=O)=O 10367077 URJQLOYJTYVLAC-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB Cc1cc(C(=O)NCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)ccc1[N+](=O)[O-] 13008642 SOADONWGQJVPJC-ZDUSSCGKSA-N 412.471 3.462 5 40 HGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccc(C)cc1 15009308 CEKNFNQADGYGGA-CSKARUKUSA-N 409.398 3.450 5 40 HGBB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2C)c([N+](=O)[O-])c1 22010565 KGTDQLRWECFXKJ-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB COc1ccc(C(=O)N2CCN=Cc3cc([N+](=O)[O-])ccc32)cc1Br 73642358 GKTVQTNVTRFZII-UHFFFAOYSA-N 404.220 3.445 5 40 HGBB COc1cc(C(=O)N[C@H](CC(=O)O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 4686106 XTQXFFORNJPKAK-CYBMUJFWSA-N 408.794 3.211 5 40 HGBB CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1OC 5836169 HQRIAGNTVMNSAB-UHFFFAOYSA-N 408.794 3.451 5 40 HGBB CCCn1c(=O)n(CC(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)c2ccccc21 10903353 HTVVJOIYFCLGHJ-UHFFFAOYSA-N 416.865 3.433 5 40 HGBB CN1CCN(c2ccc(-c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)nn2)CC1 5259174 JQPDJMPZAYEXCY-UHFFFAOYSA-N 418.457 3.056 5 40 HGBB O=C(O)C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 6194593 QSCQWWPDKWZJQK-CQSZACIVSA-N 419.242 3.396 5 40 HGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCc2[nH]c3ccccc3c2C1 9902210 QAONZVWTJPZFBV-UHFFFAOYSA-N 420.425 3.349 5 40 HGBB O=C(NCCC(=O)N1CCC(c2nc3ccccc3o2)CC1)c1ccc([N+](=O)[O-])cc1 12766936 OJGRHWMDJAZTEW-UHFFFAOYSA-N 422.441 3.262 5 40 HGBB COCCNc1ccc(C(=O)N(C)CCOc2ccccc2Cl)cc1[N+](=O)[O-] 16175663 AZJHGMMWWKRYBH-UHFFFAOYSA-N 407.854 3.458 5 40 HGBB Cc1c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cccc1[N+](=O)[O-] 20491315 QFCPGYGTJWZLNM-UHFFFAOYSA-N 412.427 3.351 5 40 HGBB C[C@H]1C[C@H](OC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)C(=O)O1 32736581 FZGVUKLDWOTVFV-BONVTDFDSA-N 416.352 3.077 5 40 HGBB Cc1nc2ccccc2nc1COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32942912 WRBVDYQFNJHAEY-UHFFFAOYSA-N 408.414 3.040 5 40 HGBB Cc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218354106 RLQNGTMQBZINES-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB CCOc1cc(Br)c(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1OC 409329704 HPMOQVVZUTWIBH-SNAWJCMRSA-N 412.196 3.136 5 40 HGBB O=C(Nc1ccccc1N1CCOCC1)c1ccc(Br)c([N+](=O)[O-])c1 6822029 ZUPFRWBQGVKYFS-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB O=C(CNc1ccc(F)c([N+](=O)[O-])c1)Nc1cc(C(F)(F)F)ccc1-n1cncn1 12749802 KOKPFJNMZLYQEJ-UHFFFAOYSA-N 424.314 3.384 5 40 HGBB O=[N+]([O-])c1ccc(N2CCN(Cc3nc(COc4ccc(F)cc4)no3)CC2)cc1 29239682 ATAOTEOIHHAWGA-UHFFFAOYSA-N 413.409 3.018 5 40 HGBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(C/C=C/c2ccccc2)CC1 32962467 GRWYPFJMLWMLAG-QPJJXVBHSA-N 417.469 3.252 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O 220392513 GROYQMUSOMDFEH-OAHLLOKOSA-N 417.487 3.037 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)NCCc2csc(-c3ccc(F)cc3)n2)c1 5137645 VIICVIYHGXXUIR-UHFFFAOYSA-N 407.448 3.378 5 40 HGBB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5895885 UKRPHMTZTGFTSF-OAQYLSRUSA-N 411.458 3.115 5 40 HGBB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)co1 9712933 WIENRZVNFHFVOY-UHFFFAOYSA-N 421.818 3.446 5 40 HGBB CC[C@@H](C(=O)NC1CCCCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222525495 SHKZNGFOAUVFEO-SFHVURJKSA-N 411.524 3.369 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc([N+](=O)[O-])c1 409268392 SSBJPKRCQIHNEF-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2O)cc1 4317415 LURCDKGBBCAKOI-UHFFFAOYSA-N 411.443 3.115 5 40 HGBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)NCc2cccs2)CC1 5361223 ZJVVOHNYBYKCSL-UHFFFAOYSA-N 417.487 3.366 5 40 HGBB O=[N+]([O-])c1ccc(OC/C=C2/Oc3ccc([N+](=O)[O-])cc3[C@@H]2N2CCOCC2)cc1 19830863 OUFLODBNKFDTBL-FNZFIGJVSA-N 413.386 3.232 5 40 HGBB CCOc1cc2c(cc1COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1)O[C@@H](C)C2 24710508 FOGIMHQZIABQJR-LBPRGKRZSA-N 415.398 3.461 5 40 HGBB CCN(CC)CCNC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 33768084 DRKAHHPTQMQSDL-LTGZKZEYSA-N 424.501 3.132 5 40 HGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)C(CC)CC 103627915 WCLUTBRZDPQCCB-QQTULTPQSA-N 424.501 3.270 5 40 HGBB CCCC[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 2064363 YDIYFVFUKMAAAZ-SFHVURJKSA-N 424.409 3.176 5 40 HGBB CCOC(=O)c1c(CC(C)C)csc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 6561805 HELJLBLBAVAHFR-UHFFFAOYSA-N 408.480 3.484 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(OC)c1 21595231 KQWRPWUROIGIDP-UHFFFAOYSA-N 418.456 3.349 5 40 HGBB CC(C)C[C@](C)(CNC(=O)OC(C)(C)C)NCC(=O)Nc1ccccc1[N+](=O)[O-] 84456911 NDLBXXOPIMIUHG-HXUWFJFHSA-N 408.499 3.452 5 40 HGBB O=c1[nH]c2ccccc2nc1-c1cccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 96012467 VNFIFAGCQTVDBR-UHFFFAOYSA-N 422.422 3.299 5 40 HGBB CCOC(=O)c1ccnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 97212564 SLRFDEPOQDJBEV-ZDUSSCGKSA-N 408.455 3.002 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 101577050 KSATXQVGRQIAQY-KCXZSRPNSA-N 401.467 3.307 5 40 HGBB COc1ccc([N+](=O)[O-])cc1N(C)S(=O)(=O)c1ccc(Br)cc1 224735160 MDCYCLSGUODIEE-UHFFFAOYSA-N 401.238 3.191 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1622831241 KZGNOPTXRGHYQJ-CABCVRRESA-N 408.455 3.417 5 40 HGBB CCN1CCN([C@H](c2cccs2)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4139429 SLVIKNGUZXJAES-BEFAXECRSA-N 402.520 3.153 5 40 HGBB COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)Nc2ccccc2[N+](=O)[O-])cc1 4243497 JXAAFRKVCWWHQW-AWEZNQCLSA-N 402.403 3.333 5 40 HGBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2c3cccc4cccc(c34)S2(=O)=O)c1 9509327 SSCBILSZUMCLPY-UHFFFAOYSA-N 424.843 3.299 5 40 HGBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1[N+](=O)[O-] 20038231 BYEXPGDRHFNRSH-UHFFFAOYSA-N 412.427 3.351 5 40 HGBB O=C(NCc1nnc(SCc2cccc([N+](=O)[O-])c2)o1)c1c(F)cccc1F 5107611 PCNYEZAFFVSMHV-UHFFFAOYSA-N 406.370 3.478 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(NC[C@@H](C(C)C)N(C)C)c([N+](=O)[O-])c2)CC1 12562834 GCIKPXYIKVDTBR-IBGZPJMESA-N 412.556 3.014 5 40 HGBB COc1ccc(-c2csc(CCNc3nc4ccccn4c(=O)c3[N+](=O)[O-])n2)cc1 48311387 FYWMZAQVHNAXGS-UHFFFAOYSA-N 423.454 3.389 5 40 HGBB CCN(CC)Cc1nc(C2(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)CCCC2)no1 78714248 SKBDRAZGRDQARB-FMIVXFBMSA-N 413.478 3.419 5 40 HGBB Cc1c(Br)cc(C(=O)O)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1 84028337 WAXZTOWYRRGUSE-UHFFFAOYSA-N 415.221 3.165 5 40 HGBB COc1ccccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222581800 QDZMZLWKPHIODT-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223601102 USGQKFWTDXNEIT-OALUTQOASA-N 410.455 3.215 5 40 HGBB CCc1nc2oc3ccc(Br)cc3c(=O)c2c(=O)n1Cc1ccco1 2441768 LMNZJBXXVCZMFJ-UHFFFAOYSA-N 401.216 3.469 5 40 HGBB CCOC(=O)C[C@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 3622624 XFZWPGXDVWAEOV-INIZCTEOSA-N 401.375 3.236 5 40 HGBB COc1ccccc1[C@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 4082876 HWQOIKLWBXMRDS-JKBLPZPRSA-N 402.511 3.252 5 40 HGBB O=C(O)C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1Cl 6194585 QSCQWWPDKWZJQK-AWEZNQCLSA-N 419.242 3.396 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccc(Cl)cc1 8041795 QQADIGVEQFQIKQ-UHFFFAOYSA-N 411.867 3.433 5 40 HGBB O=[N+]([O-])c1cccc(-c2nnn(Cc3csc(-c4ccc5c(c4)OCO5)n3)n2)c1 84383302 TWVZJTXKNKLOIN-UHFFFAOYSA-N 408.399 3.149 5 40 HGBB CCc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 224648265 HLLZRFXAYKGCOH-HNNXBMFYSA-N 419.503 3.109 5 40 HGBB COc1cccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2cccc([N+](=O)[O-])c2)c1 885733 YJAUMDYTLFJLJW-QGZVFWFLSA-N 409.320 3.213 5 40 HGBB COC(=O)C1=C(C)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2[N+](=O)[O-])o1 5845954 IIGGGPLKXHNVAE-HNNXBMFYSA-N 407.835 3.474 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1 12137251 LWXZNHKNXQIMJD-UHFFFAOYSA-N 415.471 3.282 5 40 HGBB Cc1cc(C(=O)N(C)Cc2ccc(C(=O)NCC(F)(F)F)cc2)ccc1[N+](=O)[O-] 12929393 IPFUIEMVZZTKPX-UHFFFAOYSA-N 409.364 3.468 5 40 HGBB COc1ccc(OC)c([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)c1 30497247 SIPAFAALBRUSAU-INIZCTEOSA-N 422.459 3.146 5 40 HGBB COc1cccc(/C=C2\NC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c1OC(C)C 409014515 PZHCZOGKJOWZPH-BOPFTXTBSA-N 411.414 3.484 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)n1C 409330265 KIELCVSAFBPESG-UHFFFAOYSA-N 413.459 3.342 5 40 HGBB CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1OC 3382677 NVKADSUANGQBLR-LBPRGKRZSA-N 418.402 3.195 5 40 HGBB O=C(Nc1ccc(F)c(F)c1F)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 10187980 WXYPRWCTEFYFMF-UHFFFAOYSA-N 403.316 3.474 5 40 HGBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 20154226 YDVNXMQLHRGMQD-UHFFFAOYSA-N 405.252 3.019 5 40 HGBB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224486567 OSWNDHQHVCYKFU-SFHVURJKSA-N 411.502 3.369 5 40 HGBB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1cc(O)nc2ccc([N+](=O)[O-])cc12 609762505 XTCHULINDGEFDT-AWEZNQCLSA-N 409.398 3.151 5 40 HGBB COc1ccc(C(=O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1791707 IIHNVNSPFZIINW-MRXNPFEDSA-N 414.478 3.388 5 40 HGBB biogenic CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc1 20154329 XPJMEFVUFUBOAR-UHFFFAOYSA-N 412.490 3.319 5 40 HGBB Cc1cc(C)c(NC(=O)CNC(=O)CCn2ncc3ccc([N+](=O)[O-])cc32)c(C)c1 40115125 FAOMUWXNQMOZPB-UHFFFAOYSA-N 409.446 3.015 5 40 HGBB COCCn1/c(=N/C(=O)c2cccc([N+](=O)[O-])c2)sc2cc(OC)c(OC)cc21 101035535 WNTYJSPHDZJMJG-VXPUYCOJSA-N 417.443 3.016 5 40 HGBB Cc1cc(C)cc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222569544 YRVHBFGMDBYCLN-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB CC1=NS(=O)(=O)c2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1CC(C)C 223121182 UFVNBZJGCAJHQI-UHFFFAOYSA-N 416.459 3.430 5 40 HGBB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cc([N+](=O)[O-])ccc1F 3300349 KVCKIHBHRFFWGD-UHFFFAOYSA-N 400.284 3.477 5 40 HGBB COc1ccc(C(=O)NCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1[N+](=O)[O-] 12754776 XIDZYZOCCJTJAS-CQSZACIVSA-N 407.426 3.364 5 40 HGBB COc1ccc2[nH]cc(CCNC(=O)[C@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c2c1 20648310 JIFOBROUSVQOFY-INIZCTEOSA-N 423.473 3.055 5 40 HGBB CC(C)c1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3-n3cnnc3)CC2)cc1 70461857 NGDOYLXKUJKZAZ-UHFFFAOYSA-N 420.473 3.261 5 40 HGBB CC(C)OC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95681939 HGQJBWAOTPXHMW-UHFFFAOYSA-N 401.287 3.188 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)Cc1ccc(Br)cc1 2657536 YIENHSWTEDSFFO-UHFFFAOYSA-N 423.219 3.090 5 40 HGBB C[C@@H](OC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)NC1CCCC1 4245767 IDOSQYAWZWLLMO-SNVBAGLBSA-N 403.357 3.016 5 40 HGBB COC[C@H](C)NS(=O)(=O)c1ccc(Nc2ccc3c(c2)CCC3)c([N+](=O)[O-])c1 9469067 IHTBDAWEHKNDMP-ZDUSSCGKSA-N 405.476 3.140 5 40 HGBB O=C(COc1ccccc1)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 17088394 UMZIBEHOVSKXIY-UHFFFAOYSA-N 410.249 3.249 5 40 HGBB CCCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 22392896 LQNPKZLSYKSEDE-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=c1c2cnn(-c3ccccc3[N+](=O)[O-])c2ncn1Cc1cc(-c2cccs2)on1 32831854 IVWVQNYZCAFFOX-UHFFFAOYSA-N 420.410 3.255 5 40 HGBB Cn1c2c(s/c1=N\C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CCc1ccccc1-2 409207720 YFMMVFKNCHNNCI-VXPUYCOJSA-N 410.411 3.410 5 40 HGBB CC(C)(C)C(=O)OC[N+](C)(C)CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1 5006052 GALXEIUOWABKPF-HSZRJFAPSA-N 406.543 3.231 5 40 HGBB O=C(CS(=O)(=O)c1ccccc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 4496339 WZPHYQCSHRDPBJ-UHFFFAOYSA-N 403.441 3.131 5 40 HGBB Cc1nc2ccccc2nc1COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 32945548 RYUKJPJHAVTWHF-UHFFFAOYSA-N 408.414 3.040 5 40 HGBB CCc1ccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222643573 JJKUSOWJTIIHOD-UHFFFAOYSA-N 405.476 3.342 5 40 HGBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O)c([N+](=O)[O-])c3)C2=O)cc1 408964874 SXVIHAAOYRDDHB-SXGWCWSVSA-N 413.411 3.284 5 40 HGBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])N1CCN(c2ccccc2)CC1 1475740 LLBNKOPNNQEYDK-UHFFFAOYSA-N 409.364 3.341 5 40 HGBB O=C(CSc1nnc(Nc2ccccc2)s1)NC(=O)c1cccc([N+](=O)[O-])c1 2662196 DPOJNUMJSQBCRR-UHFFFAOYSA-N 415.456 3.239 5 40 HGBB O=C1C(=O)N(Cc2cc(=O)oc3ccc4ccccc4c23)C(=O)N1Cc1ccco1 3436734 DFKLVASHILTMCF-UHFFFAOYSA-N 402.362 3.030 5 40 HGBB COc1cc(C(=O)N[C@@H](CC(=O)O)c2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 4686105 XTQXFFORNJPKAK-ZDUSSCGKSA-N 408.794 3.211 5 40 HGBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NC1CCCC1 6740908 XSSDXHPZTVTPQV-JTQLQIEISA-N 403.357 3.016 5 40 HGBB O=[N+]([O-])c1ccc(/C=C/c2nn3c(Cn4nnc5ccccc54)nnc3s2)cc1 9330126 RPEICEJHSMETBD-JXMROGBWSA-N 404.415 3.057 5 40 HGBB O=C(O)CCC(=O)N1N=C(c2cccc([N+](=O)[O-])c2)C[C@@H]1c1ccc2nccnc2c1 12981295 SGRHNKZHCYPESJ-LJQANCHMSA-N 419.397 3.081 5 40 HGBB CCOc1ccc(NC(=O)[C@@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222515257 MKVDEQYKECEJQD-GOSISDBHSA-N 421.475 3.177 5 40 HGBB Cc1cc(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)ccc1[N+](=O)[O-] 4939928 CASHOSKIMGHPMR-UHFFFAOYSA-N 419.441 3.449 5 40 HGBB COc1cc(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)ccc1N1CCCC1=O 12561078 VCDSFTYWSVILLG-UHFFFAOYSA-N 419.459 3.148 5 40 HGBB COc1ccc(C)cc1CN(C)C(=O)c1nn(-c2ccccc2[N+](=O)[O-])c(C)cc1=O 32744706 YQLOTFLVVROUEK-UHFFFAOYSA-N 422.441 3.038 5 40 HGBB O=c1nc2n(-c3ccc(Cl)c(Cl)c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1 59497776 KDHQSXNRDOCPCK-UHFFFAOYSA-N 403.181 3.394 5 40 HGBB CC(=O)OC=C1c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2-c2c1cc([N+](=O)[O-])cc2[N+](=O)[O-] 100045981 TUJNZFQJFDNJDM-UHFFFAOYSA-N 416.258 3.252 5 40 HGBB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c(=O)c12 7424079 XEYGOZICRWEKHN-UHFFFAOYSA-N 407.361 3.322 5 40 HGBB O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)Nc1ccc([N+](=O)[O-])cc1 12885170 JRSVTZOXXXZWPS-UHFFFAOYSA-N 417.487 3.341 5 40 HGBB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 12923614 ZWDUCVYNVFRBCI-ZDUSSCGKSA-N 414.853 3.460 5 40 HGBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccsc1 24384263 HREDDGXSOJEPDC-MRXNPFEDSA-N 407.517 3.166 5 40 HGBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2[N+](=O)[O-])C1 4879040 GYYDJXDSKIAUJA-HUUCEWRRSA-N 415.446 3.143 5 40 HGBB O=C(/C=c1/[nH]c(=O)/c(=C\c2ccc(Cl)c([N+](=O)[O-])c2)s1)c1ccc(Cl)cc1 105631844 FTSQGNFBYGXCBQ-WIBPKFNESA-N 421.261 3.144 5 40 HGBB CC(C)COc1ccc(-c2nc3s/c(=C/c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 9971859 HKMVKXSHIZMVPU-WOJGMQOQSA-N 422.466 3.309 5 40 HGBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccnc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 17862188 SIPUPZSEKHAJRB-HSALFYBXSA-N 416.393 3.041 5 40 HGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(OCC)cc1 224600745 AVGQDUWUTFUOPW-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB COc1ccc2c(=O)c3c(=O)n(CCc4ccc(OC)c(OC)c4)c(C)nc3oc2c1 2134848 TVKBIDNURLNLSE-UHFFFAOYSA-N 422.437 3.080 5 40 HGBB biogenic CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225033516 IQJWNRIWJYWHER-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB CC(=O)N1CCN(c2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 408629009 HSOKMYHVMCIXMW-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1ccc(F)cc1 976385 WEVQPBWFCRIHTB-UHFFFAOYSA-N 417.422 3.172 5 40 HGBB COc1ccc(OC)c([C@H]2SCCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 2501337 RBSVHUTZHFOUJE-QGZVFWFLSA-N 410.473 3.048 5 40 HGBB C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccc(F)c(F)c1 14575162 UVDJHAQWNYELME-CYBMUJFWSA-N 404.417 3.116 5 40 HGBB COc1ccc(C(=O)OCc2cc3c(cc2Br)OCCO3)cc1[N+](=O)[O-] 24461237 ZHEAZBDQYDJZHI-UHFFFAOYSA-N 424.203 3.494 5 40 HGBB O=C(Nc1ccc(-c2nccs2)cc1)N1CCN(c2ccc([N+](=O)[O-])nc2)CC1 40103881 QQTCKBDJEANVAI-UHFFFAOYSA-N 410.459 3.467 5 40 HGBB C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 95466665 JAKMAHCHTKSGBP-NSHDSACASA-N 405.252 3.138 5 40 HGBB COc1ccc(C)cc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102833878 WVWMMHDSSLGIRX-VKFLQFAXSA-N 411.462 3.438 5 40 HGBB CC(C)Oc1ccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220413074 NXUCALKCBWFGFH-AWEZNQCLSA-N 421.475 3.175 5 40 HGBB C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 222361244 XCHKWQGFQCHPAX-OAHLLOKOSA-N 405.476 3.018 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)NS(=O)(=O)c1ccc2ccccc2c1 408554819 UPUISHHRRBWMPD-CQSZACIVSA-N 413.455 3.362 5 40 HGBB COc1ccc([N+](=O)[O-])c(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3OC)C2)c1 408646683 UCIOMGMLVKKTTH-LLVKDONJSA-N 419.821 3.257 5 40 HGBB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 4517850 HJAHEFILCPNHAU-UHFFFAOYSA-N 403.441 3.374 5 40 HGBB CC1CCN(c2ccc(C(=O)OCC(=O)NC3CCCCC3)cc2[N+](=O)[O-])CC1 6026083 CKSHKIYQFORTNP-UHFFFAOYSA-N 403.479 3.437 5 40 HGBB COc1cc(OC)cc([C@@H](NC(=O)Nc2cccc([N+](=O)[O-])c2)c2nccn2C)c1 12507645 JPLNCLBWJRMXDW-GOSISDBHSA-N 411.418 3.257 5 40 HGBB CCCCN(C)C(=O)C1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 40152000 WMIXJGNCWMQVFN-UHFFFAOYSA-N 416.522 3.306 5 40 HGBB CCOc1ccc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC 408571610 PEWPRFNQDGBTON-RQNJPMPDSA-N 411.458 3.052 5 40 HGBB O=[N+]([O-])c1ccc(-c2c[nH]c(SCCNS(=O)(=O)c3ccccc3)n2)cc1 5119957 OCRUOFCNIGWHPU-UHFFFAOYSA-N 404.473 3.056 5 40 HGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)Nc2ccc(F)cc2)CC1 48300364 CDXADVRVFXSKOJ-UHFFFAOYSA-N 416.409 3.311 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccc(I)cc1F 95634839 QMAOYUJLCXFJPR-UHFFFAOYSA-N 422.175 3.139 5 40 HGBB O=C1CS[C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)nn(C3CCSCC3)c2N1 96117841 KPKJALYRKDMXLD-HNNXBMFYSA-N 406.489 3.340 5 40 HGBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1cccc([N+](=O)[O-])c1 100037606 SSTTVNZZVBGWLI-UHFFFAOYSA-N 408.282 3.365 5 40 HGBB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101039268 SDGHOJSHRSGDFO-HIFRSBDPSA-N 406.181 3.194 5 40 HGBB CCN(Cc1nc(-c2cccs2)no1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 219830130 BGSIALHLVINZRV-UHFFFAOYSA-N 418.431 3.142 5 40 HGBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1N1CCC2(CC1)OCC=CCO2 4053636 RYVWISFQNWMAOL-UHFFFAOYSA-N 403.313 3.421 5 40 HGBB O=C(Nc1nc2ccc(F)cc2s1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 4896282 SCEWBWUSNOPMNA-UHFFFAOYSA-N 402.407 3.433 5 40 HGBB CC[C@@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1ccco1 4985866 IWIGGUOKJIZMHZ-CQSZACIVSA-N 405.458 3.285 5 40 HGBB COc1ccc(NC(=O)COC(=O)Cc2coc3cc(OC)ccc23)c([N+](=O)[O-])c1 5185003 TYPPULRZTRPRBO-UHFFFAOYSA-N 414.370 3.083 5 40 HGBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1F 16449261 XEDVUHXCQKDKQC-UHFFFAOYSA-N 422.869 3.224 5 40 HGBB CC(=O)c1cc([N+](=O)[O-])c(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)s1 95467694 ISHGTODTSZQLFS-UHFFFAOYSA-N 409.489 3.256 5 40 HGBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223023317 GXYRHYCGFPYGKZ-VQTJNVASSA-N 423.498 3.399 5 40 HGBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223628227 XVTFZSUAVXWYDZ-UXHICEINSA-N 423.498 3.135 5 40 HGBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2421730 VLJZUPQTEHUXJW-MRXNPFEDSA-N 421.501 3.208 5 40 HGBB O=C(Cn1cnc2cc([N+](=O)[O-])ccc2c1=O)NC(c1ccccc1)c1ccccc1 2617239 NSXGWPHJVDEZDJ-UHFFFAOYSA-N 414.421 3.211 5 40 HGBB aggregator Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270767 PQBOHBGIUBYWTM-UHFFFAOYSA-N 408.370 3.274 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O 8475254 DTYVTUWBAXWVJG-UHFFFAOYSA-N 401.378 3.448 5 40 HGBB O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N1 9892652 LDKOASKFSPZBMN-RIYZIHGNSA-N 418.203 3.117 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3C)CC2)cc1 19161000 KAHOVQBYFRVTFJ-UHFFFAOYSA-N 417.487 3.251 5 40 HGBB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142915 APQOAIZYYFRALK-UHFFFAOYSA-N 423.425 3.436 5 40 HGBB CC(C)(C)NS(=O)(=O)c1ccc(NCCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 32743553 VZZXBBWKNDFNLA-UHFFFAOYSA-N 421.475 3.055 5 40 HGBB CCOc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222684855 BYJNIPMZXAKVRR-UHFFFAOYSA-N 421.475 3.178 5 40 HGBB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225039953 FYEWDDJDIDPOAG-UHFFFAOYSA-N 422.459 3.140 5 40 HGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 14413372 PXMOMPPROVQVQC-UHFFFAOYSA-N 417.487 3.341 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C 22010595 HYGIEOCXEZZSGX-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113896525 FVJBOTJRSFLMEB-UHFFFAOYSA-N 406.460 3.477 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O 408705854 OTSBIVZDBUAMLS-UHFFFAOYSA-N 409.439 3.227 5 40 HGBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cccc([N+](=O)[O-])c1 1312415 VCAIJAVKRDVQRX-UHFFFAOYSA-N 420.425 3.403 5 40 HGBB O=C(CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)NCCc1ccccc1 1807637 AYSZEEFTFKGMKM-UHFFFAOYSA-N 409.442 3.110 5 40 HGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCCNc1ccccc1[N+](=O)[O-] 12794500 BYYFJRUUPZOWNC-UHFFFAOYSA-N 416.437 3.291 5 40 HGBB CCN(CC(=O)NCc1cccs1)C(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 12846442 XGAFCGUWVRGXAH-SOFGYWHQSA-N 407.879 3.488 5 40 HGBB C[C@H]1CN(Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)C[C@H](C)O1 25066952 TWKSNLIDKNZMBZ-IRXDYDNUSA-N 412.490 3.046 5 40 HGBB O=C(O[C@H]1CCC[C@@H]1OC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 1716944 WKLGTEJICMXJTJ-IRXDYDNUSA-N 400.343 3.438 5 40 HGBB COc1ccc(C(=O)OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1[N+](=O)[O-] 4846306 KYHOSGJGSMSDJR-QRYOHXEKSA-N 416.474 3.481 5 40 HGBB COc1ccc([C@@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 4854030 CFXHUXSMPNJMKX-HXUWFJFHSA-N 413.455 3.199 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCCCOc1ccccc1 6546069 BLNMMTHFTIHQIT-UHFFFAOYSA-N 406.460 3.227 5 40 HGBB CC(C)COC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 95681985 PPYNJUXDMLCYRL-UHFFFAOYSA-N 415.314 3.435 5 40 HGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)cc21 408526301 AOLMPJKPGGLYCQ-MFOYZWKCSA-N 424.438 3.022 5 40 HGBB CCCCOc1ccc(N2C(=O)[C@H]3ON=C(c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 6783197 SKEXRTWFRRASLF-HKUYNNGSSA-N 409.398 3.066 5 40 HGBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(Nc3cccc(CO)c3)c([N+](=O)[O-])c2)C1 7981452 IGPYPLSLOMXWFY-GASCZTMLSA-N 419.503 3.497 5 40 HGBB CN(Cc1nc2ccccc2s1)C(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12795738 ZVNWZXHQLPIEDG-UHFFFAOYSA-N 418.862 3.246 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc([N+](=O)[O-])cc1 20611557 DWHHXRVMTWFUPL-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Br 78902692 PQIUBGGNPXKPRW-UHFFFAOYSA-N 407.192 3.461 5 40 HGBB CC(C)C[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 102020980 JHAUKKFYJPCIKZ-OKZBNKHCSA-N 400.431 3.004 5 40 HGBB CCOC(=O)CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1 2720982 WKWFEBUQIFUIRT-UHFFFAOYSA-N 424.438 3.430 5 40 HGBB O=C1CS[C@]2(C(=O)Nc3ccc(Br)cc32)N1c1cccc([N+](=O)[O-])c1 4112035 BIVLZEPJLXFORA-MRXNPFEDSA-N 420.244 3.242 5 40 HGBB COc1c(Br)cc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 12809745 VFADJKJJYFMMEL-UHFFFAOYSA-N 405.201 3.306 5 40 HGBB Cc1c(Cl)cc(S(=O)(=O)Nc2ccccc2-n2c(C)c[nH]c2=O)cc1[N+](=O)[O-] 58283309 GMLUPDVMULUDQV-UHFFFAOYSA-N 422.850 3.145 5 40 HGBB CC[C@@H]1[C@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 102918334 KIPHTHYSVQAMJV-ZFRKWEAESA-N 417.573 3.270 5 40 HGBB C[C@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 223839533 QLHXVZVCCWZWHF-ZDUSSCGKSA-N 408.501 3.109 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1CCCCC1)S(C)(=O)=O 224855380 HOGVBARFWXHCRI-UHFFFAOYSA-N 411.524 3.146 5 40 HGBB Cc1cc(C(=O)NCC(=O)OCc2csc(-c3ccccc3)n2)ccc1[N+](=O)[O-] 2647580 GZEVVYIHYFJOBO-UHFFFAOYSA-N 411.439 3.500 5 40 HGBB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccc(F)c([N+](=O)[O-])c1 6543606 KBNKXWFPRFURPT-UHFFFAOYSA-N 400.284 3.477 5 40 HGBB CC(=O)Nc1cccc(Oc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])c1 7007720 NGYZDKUDRWLRNE-UHFFFAOYSA-N 407.448 3.422 5 40 HGBB C[C@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 8412982 UWBQWNIIAKCTEU-HNNXBMFYSA-N 413.430 3.124 5 40 HGBB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 12529560 UYXZNKYCWQQOMK-INIZCTEOSA-N 416.411 3.008 5 40 HGBB COc1cccc(CN(C)C(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c1OC 12561707 KCHBGSZRXQHDCM-UHFFFAOYSA-N 413.474 3.487 5 40 HGBB COc1ccc(OC)c([C@@H]2CCCN2C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1 8373755 ZSZQWDXDJSURGL-INIZCTEOSA-N 404.394 3.494 5 40 HGBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 10010433 DLHKIQBNFNOMKA-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C)C3 12934798 MSRRNDVMTUVWNI-LLVKDONJSA-N 412.471 3.438 5 40 HGBB COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC 225770461 AFRJQQVRIRYCPI-UHFFFAOYSA-N 414.414 3.077 5 40 HGBB CCOC(=O)C[C@H](NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1 4593581 XQLXHKALSNQUIX-KRWDZBQOSA-N 406.460 3.184 5 40 HGBB Cc1cc(C)c(C(=O)COC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1C 4839203 LCKVWAGKDHQFNG-UHFFFAOYSA-N 412.442 3.396 5 40 HGBB O=C(COC(=O)C[C@H]1OC(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl 7985773 XFGPYGMCKSTDLA-OAHLLOKOSA-N 404.762 3.032 5 40 HGBB CCC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1=O 8946280 IMKIQOOUHQCEBJ-QFIPXVFZSA-N 424.457 3.398 5 40 HGBB CC(C)[C@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 9761083 OWTFDFBCMFSRSR-FQEVSTJZSA-N 414.462 3.474 5 40 HGBB C[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cncn2)cc1 12528327 ARPSRFBTLBOKFY-INIZCTEOSA-N 420.473 3.269 5 40 HGBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)NCC(=O)Nc1ccc(F)c(F)c1 14808500 MUXMLSRTYYSYCG-UHFFFAOYSA-N 421.403 3.188 5 40 HGBB Cc1ccc2nc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])o3)sc2c1 22998394 ZQAYVMGWHAKFEV-UHFFFAOYSA-N 416.459 3.085 5 40 HGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc(C)c1 33720168 MHEMUOGEVKBIHY-SOFGYWHQSA-N 423.381 3.090 5 40 HGBB COc1ccc([C@H]2CC(c3cccc([N+](=O)[O-])c3)=NN2C(=O)CN2CCCC2)cc1 58268805 VJRSFDFSXSCQOA-OAQYLSRUSA-N 408.458 3.377 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)c2ccccc2C1=O 8475178 LUJIMWGCFXTWHF-UHFFFAOYSA-N 401.378 3.448 5 40 HGBB COC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1CCOCC1 9907746 UQEZZTDBCPAWSI-UHFFFAOYSA-N 419.821 3.124 5 40 HGBB O=C(O)c1ccc(Cl)c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 20142868 ZVMQZEWXUOURHH-UHFFFAOYSA-N 405.794 3.035 5 40 HGBB NC(=O)CCN(C(=O)Cn1c2ccccc2c(=O)c2ccccc21)c1ccc(F)cc1 58537709 KCZJOYJJKOXUFP-UHFFFAOYSA-N 417.440 3.202 5 40 HGBB Cc1cc2ncn(-c3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])c2cc1C 5688897 QFOVXWIBFFWSGC-UHFFFAOYSA-N 400.460 3.335 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)C1=NN(c2ccccc2)C(=O)CC1 40024647 IEFIJGORMSITBR-UHFFFAOYSA-N 400.822 3.390 5 40 HGBB CN(C)CCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc2cc3c(cc2s1)OCO3 4359335 CADKOMOQJLFUFP-UHFFFAOYSA-N 414.443 3.142 5 40 HGBB C[C@H](NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 13040292 DUMOYNRQMGGHRC-HNNXBMFYSA-N 402.882 3.248 5 40 HGBB Cc1ccc(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cc1[N+](=O)[O-] 15880786 GJCPZZLEFVCQPK-UHFFFAOYSA-N 412.427 3.016 5 40 HGBB CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1Cl 5118640 DGKJLJSYAJJUNT-UHFFFAOYSA-N 412.229 3.378 5 40 HGBB Cc1c(O[C@H](C)C(=O)NCCCn2ccnc2)ccc2c1oc(=O)c1ccccc12 5206785 ZMDWZRRDDBDZMH-MRXNPFEDSA-N 405.454 3.425 5 40 HGBB CCOc1ccccc1-n1nnnc1SCC(=O)Nc1ccc(C)cc1[N+](=O)[O-] 9465586 CGSIQQFZCZLWOA-UHFFFAOYSA-N 414.447 3.008 5 40 HGBB Cc1cc(NC(=O)CNc2cc([N+](=O)[O-])ccc2NCCO)ccc1Br 9508214 ZNGSYJFTKOLJGS-UHFFFAOYSA-N 423.267 3.121 5 40 HGBB O=C(Nc1nnc(-c2cccc([N+](=O)[O-])c2)s1)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 100811527 BKHSDLWFIAYXPL-UHFFFAOYSA-N 416.331 3.182 5 40 HGBB CC[C@@H](C(=O)Nc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533486 UAQHAHIUVREKTN-INIZCTEOSA-N 421.475 3.095 5 40 HGBB CC(C)(C)[C@H]1CCCC[C@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 1563854180 NKGBIGYYDAHSCO-GDAAHCPNSA-N 407.511 3.141 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1cccc([N+](=O)[O-])c1 8286464 MEPZTIZOPMULAZ-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@H](c1ccc(C)cc1)n1cncn1 89941937 WYEHBVOAXBSRFE-CTNGQTDRSA-N 409.446 3.058 5 40 HGBB CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225004513 YXWXDDBVNGFHPZ-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 408562828 DRQDEYGYBIXICN-CJNGLKHVSA-N 401.341 3.003 5 40 HGBB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1OC 409054152 SAIDGFUZWNGUPM-UHFFFAOYSA-N 413.430 3.103 5 40 HGBB O=C(Nc1nc(-c2ccccn2)cs1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 7168168 IHYOHHNEDCSVHE-UHFFFAOYSA-N 411.443 3.202 5 40 HGBB O=C(O)/C(=C\c1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 9540532 KMFDXZIDYUEZPT-QINSGFPZSA-N 422.484 3.456 5 40 HGBB COc1ccc(-c2noc(CNC(=O)c3ccc([N+](=O)[O-])cc3Cl)n2)c(OC)c1 218121980 JFSXCRZDIWZRLU-UHFFFAOYSA-N 418.793 3.245 5 40 HGBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O 409096134 FLBKWUIMQMECGX-KXUVPBGPSA-N 402.384 3.453 5 40 HGBB COc1ccc(Cc2nnc(NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)s2)cc1 4679206 ZKUVLNBSRHPQAB-UHFFFAOYSA-N 400.416 3.307 5 40 HGBB COCCCn1c2nc3ccccc3nc2c2c(=O)n(Cc3cccs3)cnc21 5030618 ZCXZGYNNZMUWEA-UHFFFAOYSA-N 405.483 3.441 5 40 HGBB COC(=O)c1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)sc(C)c1C 5587312 FWUFVCJTZRXGOM-UHFFFAOYSA-N 419.459 3.149 5 40 HGBB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)c1 6533012 RAHGUVSBOSWMLU-OAHLLOKOSA-N 415.446 3.108 5 40 HGBB CNc1ccc([N+](=O)[O-])cc1C(=O)NCC(=O)Nc1ccc(Br)cc1C 9336814 VABFXQHUGKCTMG-UHFFFAOYSA-N 421.251 3.076 5 40 HGBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-])c1ccccc1 9379148 OLHRWBDFTHWBCZ-FQEVSTJZSA-N 419.503 3.425 5 40 HGBB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 33040256 JXLBJJRUYVOKGY-RBUKOAKNSA-N 410.518 3.243 5 40 HGBB O=C1[C@H]2C(c3ccc(Cl)cc3Cl)=NO[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103560738 SDGHOJSHRSGDFO-DZGCQCFKSA-N 406.181 3.194 5 40 HGBB COc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1-c1ccc(C(=O)O)o1 226353899 YRIFOBKSUPACGL-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc([N+](=O)[O-])cc3)n2C)cc1 5008305 SVMIVDYJEIDXAT-UHFFFAOYSA-N 413.459 3.342 5 40 HGBB O=c1c2ccccc2n2c(Sc3ncccc3[N+](=O)[O-])nnc2n1-c1ccccc1 9119964 MDMRJCHYHGLEIY-UHFFFAOYSA-N 416.422 3.488 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)C(C)C)cc2)cc1[N+](=O)[O-] 17090591 PPRXHPRZRUEFJH-UHFFFAOYSA-N 416.459 3.325 5 40 HGBB CCOC(=O)C1=C(C)N[C@H](c2ccccc2[N+](=O)[O-])N[C@@H]1c1ccccc1[N+](=O)[O-] 19872857 SWGJSVWPFFSGRV-MOPGFXCFSA-N 412.402 3.273 5 40 HGBB CC[C@H](C(=O)Nc1cccc(C)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516941 BDQBOOXADCJYDU-GOSISDBHSA-N 405.476 3.395 5 40 HGBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223600931 USGQKFWTDXNEIT-RTBURBONSA-N 410.455 3.215 5 40 HGBB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1 12597676 SPLXEKMLOPLBDN-HXUWFJFHSA-N 419.503 3.425 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2O)C1=O)Nc1ccccc1F 57469341 NYKNFBYEAOOPEY-NVNXTCNLSA-N 417.374 3.115 5 40 HGBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1[N+](=O)[O-] 216366612 PQVRAKGRPRUKOK-UHFFFAOYSA-N 412.427 3.351 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)Cc1cccc(OC)c1OC 3403390 YIVLJDZAIJIBPG-CYBMUJFWSA-N 403.435 3.080 5 40 HGBB CCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC 5838976 FLLZELDTRFDHGV-GFCCVEGCSA-N 418.402 3.195 5 40 HGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1 12650375 KSANZOYFWUDMJR-MRXNPFEDSA-N 418.356 3.463 5 40 HGBB Cc1ccc(C(=O)N[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(C)C)cc1 24577625 ARLQZHZJRDPLQG-NRFANRHFSA-N 424.501 3.006 5 40 HGBB CCCCn1/c(=N\C(=O)C(C)(C)C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176512 KMKYIBSHFLNIJZ-PLRJNAJWSA-N 424.501 3.099 5 40 HGBB O=C(Nc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1)N1CCCCC1 408561990 MMBOCHQUAYSHQL-UHFFFAOYSA-N 404.448 3.413 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408677275 BMOPIXBEPODRPS-KDURUIRLSA-N 405.410 3.103 5 40 HGBB C[C@@H]1CN(Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 25066933 TWKSNLIDKNZMBZ-IAGOWNOFSA-N 412.490 3.046 5 40 HGBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 59014085 RSFKTOLQMQPMGM-UHFFFAOYSA-N 418.456 3.033 5 40 HGBB COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220338779 AKGOGRYHNLYVIE-AWEZNQCLSA-N 421.475 3.013 5 40 HGBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(SC(F)F)cc1 3525944 BIVFMBJXHGMEQJ-UHFFFAOYSA-N 407.354 3.144 5 40 HGBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)cccc1[N+](=O)[O-] 5721631 KLQHRZNMLXQPSR-UHFFFAOYSA-N 410.474 3.460 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 7389294 FFRGKALPIULXDQ-UHFFFAOYSA-N 404.382 3.493 5 40 HGBB C[C@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C(N)=O)c2C1 11617388 LUSGODXDWJKIDP-QMMMGPOBSA-N 404.404 3.041 5 40 HGBB COC(=O)C(C(=O)OC)[C@@H](C[N+](=O)[O-])c1ccc(OCc2ccccc2Cl)cc1 16189603 ISIHMKSZODVJCQ-INIZCTEOSA-N 421.833 3.242 5 40 HGBB O=C(NC1CC1)c1ccc(CN(c2ncc([N+](=O)[O-])c(NC3CC3)n2)C2CC2)cc1 25494430 MMTLFNWJJHUMQP-UHFFFAOYSA-N 408.462 3.020 5 40 HGBB CCCn1c(CN2CCOCC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 26121373 KDXYFQTWNYLIPJ-UHFFFAOYSA-N 423.473 3.439 5 40 HGBB O=C(C1CCCC1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32829578 CIISYOMUEFJPBK-UHFFFAOYSA-N 416.356 3.361 5 40 HGBB Cc1cc(Br)c(NC(=O)[C@H]2CC(=O)N(CC(F)(F)F)C2)cc1[N+](=O)[O-] 95941694 MCWZMDYQKVYYJF-QMMMGPOBSA-N 424.173 3.015 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408677278 BMOPIXBEPODRPS-OALUTQOASA-N 405.410 3.103 5 40 HGBB Cc1c(C(=O)Nc2ccc(Cl)c(N3CCCS3(=O)=O)c2)cccc1[N+](=O)[O-] 5076035 NMKNKDNSODPBHN-UHFFFAOYSA-N 409.851 3.349 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CNc1cc2c(cc1Br)OCCO2 11624640 FFKGBVZNISSEAF-UHFFFAOYSA-N 422.235 3.488 5 40 HGBB CCCN(C(=O)Cn1cc([N+](=O)[O-])ccc1=O)[C@H]1C[C@@H](OCC)C12CCCCC2 78874854 IPLTWCAPFFEFMP-ZWKOTPCHSA-N 405.495 3.123 5 40 HGBB CCOC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225004875 DKBBNABPTQHUQA-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408684568 NUCJFJPHBUIVCD-IRXDYDNUSA-N 407.426 3.327 5 40 HGBB CC(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-])C(=O)O 3886172 OPRRBLQVHCAVFZ-MRXNPFEDSA-N 413.496 3.071 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1C 7322699 GCTXKGDPRFAWKH-HNNXBMFYSA-N 400.460 3.437 5 40 HGBB COc1ccc(Nc2nc(Nc3cc(OC)ccc3OC)nc(N)c2[N+](=O)[O-])cc1 9312302 OVGJSPBSOXXOQJ-UHFFFAOYSA-N 412.406 3.480 5 40 HGBB O=[N+]([O-])c1cnc(NC2CCN(CCOc3ccc(F)cc3)CC2)nc1NC1CC1 84414940 NVTGOQYUPFZZNF-UHFFFAOYSA-N 416.457 3.054 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NC1CCCCCCC1)S(C)(=O)=O 220391676 ZLMLYVIHTDGCNX-HNNXBMFYSA-N 411.524 3.287 5 40 HGBB O=C(CNC(=O)c1ccc(Cl)cc1Cl)OCC(=O)c1cccc([N+](=O)[O-])c1 2750683 UQNHDXUOFMJEMV-UHFFFAOYSA-N 411.197 3.058 5 40 HGBB CCOC(=O)C[C@@H](NC(=O)c1ccc(C)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 3622625 XFZWPGXDVWAEOV-MRXNPFEDSA-N 401.375 3.236 5 40 HGBB O=C(NC(=S)Nc1ccccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17092463 UOMPEMBHSBLYOJ-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1nc2ccccc2nc1N1CCCC1 95447975 PPPCRCUISJMVQA-UHFFFAOYSA-N 413.459 3.247 5 40 HGBB Cc1nn(C)c(C)c1N1C(=O)c2cccc3c(N4CCCC4)c([N+](=O)[O-])cc(c23)C1=O 408538980 SJKWQEPYGICUKM-UHFFFAOYSA-N 419.441 3.499 5 40 HGBB O=C(CCCNc1ccc([N+](=O)[O-])cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 537482000 MMUATISNQGPIGL-LJQANCHMSA-N 410.430 3.080 5 40 HGBB COc1ccc([C@@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1832913 BJWHKKNMUOMXBE-IRXDYDNUSA-N 416.494 3.238 5 40 HGBB biogenic COc1cc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 9062505 OERLTDJEFHQXKH-UHFFFAOYSA-N 416.415 3.391 5 40 HGBB Cc1c(C(=O)NCCN2C(=O)S/C(=C/c3cccs3)C2=O)cccc1[N+](=O)[O-] 33541926 AAPUXBODJIJXSY-XNTDXEJSSA-N 417.468 3.431 5 40 HGBB COC(=O)Cn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc([N+](=O)[O-])ccc21 100876523 GQQZUFDQTKAMMK-ICFOKQHNSA-N 411.848 3.240 5 40 HGBB CC[C@@H](C(=O)N1CCc2ccccc21)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222540501 OMGIACULOOMAHT-KRWDZBQOSA-N 417.487 3.037 5 40 HGBB CCOC(=O)C[C@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1cccc([N+](=O)[O-])c1 4594418 NXUDYHGOUCMOCI-SFHVURJKSA-N 420.487 3.493 5 40 HGBB COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(OC)cc1[C@H]([N+](C)(C)C)CC2 5734927 TVELBPKUCOPSHY-QGZVFWFLSA-N 400.495 3.442 5 40 HGBB CCCCc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 6323642 LXAQZKHDTJLWDE-UHFFFAOYSA-N 405.476 3.342 5 40 HGBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccccc2OC(F)F)NC(=O)N1 9373026 RNQWSPQSVBPNMW-MRXNPFEDSA-N 418.356 3.463 5 40 HGBB O=C(NC(=S)Nc1cccc([N+](=O)[O-])c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 17090262 VFYJFCLSJLCXJG-UHFFFAOYSA-N 415.431 3.230 5 40 HGBB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1 22061495 XWFZATSFXFJQPY-KRWDZBQOSA-N 414.849 3.265 5 40 HGBB COc1ccc(C(=O)NC(=S)Nc2c(C)ccc3nsnc23)cc1[N+](=O)[O-] 59438672 NSBFZKRTDVMIJZ-UHFFFAOYSA-N 403.445 3.043 5 40 HGBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](C)c3nc[nH]n3)c([N+](=O)[O-])c2)c(C)c1 95455211 IXRMIZMZFPXVDA-CYBMUJFWSA-N 416.463 3.304 5 40 HGBB CCOC(=O)N[C@@H](CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 409000793 FYPQEGYBCACOQM-KRWDZBQOSA-N 400.387 3.198 5 40 HGBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)O[C@@H](C)CC)C2=O)cc([N+](=O)[O-])c1O 409211116 KVRWNKGPSKOADO-WULZRQGASA-N 424.431 3.077 5 40 HGBB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)c1ccc([N+](=O)[O-])cc1 4519339 JOCOQGSRHRWZDN-OAHLLOKOSA-N 406.441 3.194 5 40 HGBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@H](c2ccc(Cl)cc2)n2nnnc2N3)c1 10296502 HONDKQMBGADAML-INIZCTEOSA-N 422.792 3.092 5 40 HGBB O=C(CSc1nnc2nc(O)cc(-c3ccccc3)n12)Nc1cccc([N+](=O)[O-])c1 15881772 ZYJKIPCSGZMEMF-UHFFFAOYSA-N 422.426 3.136 5 40 HGBB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)OCc1cccc([N+](=O)[O-])c1 19468416 MQHBOKRQZNOCIQ-QFIPXVFZSA-N 423.425 3.026 5 40 HGBB CC(C)[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCCCC1 32829332 IJAZTVONQUTYBL-OAQYLSRUSA-N 418.538 3.380 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCC[C@@H]1c1ccsc1 40153684 HPYNWLLLTBYXHG-MRXNPFEDSA-N 423.516 3.019 5 40 HGBB Cc1ccc(-n2nc(C)cc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)cc1 58317002 JWIGGRUEUJRFIY-UHFFFAOYSA-N 403.402 3.230 5 40 HGBB CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cccc(OC)c21 100910498 BVQSPFRQCRBEST-ZCXUNETKSA-N 407.473 3.459 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220509169 GVRJWGRLDPVHHZ-SFHVURJKSA-N 405.476 3.395 5 40 HGBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)o2)c([N+](=O)[O-])c1 6924662 VOORIQLDSAMXHO-UHFFFAOYSA-N 402.388 3.090 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 8417190 JYTKTHGLFNYLKM-UHFFFAOYSA-N 417.393 3.333 5 40 HGBB O=C(CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)NCc1ccccc1 12512727 OLSUJETYVYSLQQ-UHFFFAOYSA-N 422.407 3.052 5 40 HGBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)O)cc3c3ccnc2c31 20759055 WYUCRCPROVFQMJ-LLVKDONJSA-N 418.405 3.461 5 40 HGBB biogenic Cc1nn(CC(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 48310451 MCGMEBJINHXDQE-IYBDPMFKSA-N 413.522 3.202 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)Nc2nccs2)cc1 3565943 CWTZISQDNOWMDP-UHFFFAOYSA-N 419.440 3.380 5 40 HGBB COc1ccc2cc(CCNC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(=O)[nH]c2c1 4225189 AQIKCKYAJMPRCC-UHFFFAOYSA-N 401.806 3.071 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 102629822 KSATXQVGRQIAQY-GCUJQHFUSA-N 401.467 3.307 5 40 HGBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408607278 KMHRJIGEVGKWSS-GOSISDBHSA-N 410.430 3.166 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)c1ccc(=O)n(Cc2cccc([N+](=O)[O-])c2)c1 7594498 INKJLRBIRCCVTI-UHFFFAOYSA-N 408.370 3.274 5 40 HGBB COc1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1[N+](=O)[O-] 10010590 WFPOTJDAUIIWTN-UHFFFAOYSA-N 404.360 3.382 5 40 HGBB CCN(CC(=O)NC(C)(C)C)C(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 14865692 LOTZRNRUEODCHQ-UHFFFAOYSA-N 404.511 3.208 5 40 HGBB O=C(NCc1cccc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1ccc([N+](=O)[O-])o1 517655241 CVSHVNZFECGRSQ-ZDUSSCGKSA-N 411.336 3.128 5 40 HGBB COC(=O)[C@H](C)Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 916861 CHBHTTKSAVZKTG-ZDUSSCGKSA-N 414.443 3.408 5 40 HGBB O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 4852560 UZUZWSQZFIGCNM-UJKMTWAASA-N 411.417 3.496 5 40 HGBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1cccc([N+](=O)[O-])c1 6083991 YLEUVJZYKSKTFF-CMDGGOBGSA-N 400.387 3.156 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Br)c1 8902353 ACOBRSHPMMJTDM-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB NC(=O)C1CCN(C(=O)c2ccc3c(c2)[nH]c(=S)n2c4ccccc4nc32)CC1 10274006 DUMUDSWDNMTFAH-UHFFFAOYSA-N 405.483 3.036 5 40 HGBB Cc1ccc(C(=O)[C@H]2[C@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 13582238 TUHGGHNGNPMCAZ-VKJFTORMSA-N 423.347 3.007 5 40 HGBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(Cc2ccccc2)CC1 19797919 CSCPTLDSEMQXBL-UHFFFAOYSA-N 404.264 3.315 5 40 HGBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(S(=O)(=O)Cc2ccc(F)cc2)CC1 24832705 WEHOIIUVHTYITJ-UHFFFAOYSA-N 413.858 3.039 5 40 HGBB COc1cc(OC)cc(C(=O)N[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)C(C)C)c1 27340355 DJJOMJZIZQAOLB-GOSISDBHSA-N 401.419 3.005 5 40 HGBB COCCNc1ccc(C(=O)NC[C@@H](c2cccs2)N2CCCC2)cc1[N+](=O)[O-] 32762084 NGVJRHQTECFQJU-SFHVURJKSA-N 418.519 3.282 5 40 HGBB CCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224518836 ZRTOARCYDCCZCO-LJQANCHMSA-N 413.474 3.089 5 40 HGBB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 408610610 QPSNFDDDBQIDRO-IBGZPJMESA-N 411.458 3.267 5 40 HGBB O=C1OC(c2ccccc2I)=N/C1=C/c1ccc([N+](=O)[O-])o1 1811711 CGRJDODIHIUBCX-YRNVUSSQSA-N 410.123 3.137 5 40 HGBB CN(C)[C@@H](CNC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccco1 5636821 WRAFCZXAQUDMQD-AWEZNQCLSA-N 400.357 3.038 5 40 HGBB COc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 6136724 MMQOGYAWTSBHDR-UHFFFAOYSA-N 415.431 3.329 5 40 HGBB CC(C)c1ccc(NC(=O)c2cc3nc(-c4nn(C)cc4[N+](=O)[O-])ccn3n2)cc1 13961195 UJDMZUWHODTKBA-UHFFFAOYSA-N 405.418 3.414 5 40 HGBB CCCn1c(=N)c(C(=O)N[C@@H](C)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 16742241 DDFYZVBWEJXGOS-INIZCTEOSA-N 415.497 3.338 5 40 HGBB Cc1cc(C)n(-c2ccccc2NC(=O)c2ccc(-n3cncn3)c([N+](=O)[O-])c2)n1 25013977 MINZHABAPIDWQJ-UHFFFAOYSA-N 403.402 3.230 5 40 HGBB Cc1nn(CC(=O)N(Cc2ccccc2)C[C@H](O)c2ccsc2)c(C)c1[N+](=O)[O-] 84013807 LRRQHUMYKMZTNV-SFHVURJKSA-N 414.487 3.232 5 40 HGBB CC[C@H](C(=O)Nc1ccc(F)c(F)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222524481 YNJJMPYWNQFUBZ-MRXNPFEDSA-N 413.402 3.056 5 40 HGBB CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)ccc1OC 5213252 ZHYPXEAPKNEDJG-LBPRGKRZSA-N 418.402 3.195 5 40 HGBB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1cccc([N+](=O)[O-])c1)CCS3 5451562 MQWYSPNITVBKAD-UHFFFAOYSA-N 408.439 3.422 5 40 HGBB C[C@@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)oc3ccc4ccccc4c13)CS2 5876499 ASZKUMAYWMBWQH-OPAMFIHVSA-N 409.463 3.443 5 40 HGBB O=C(COc1ccc(Cl)cc1Cl)NCC(=O)OCc1cccc([N+](=O)[O-])c1 6526547 NLKHJJPIAJWILR-UHFFFAOYSA-N 413.213 3.140 5 40 HGBB CCOc1cc([C@@H]2N[C@@H](C(=O)O)CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8920063 YQIOPCAXGAXWEX-RHSMWYFYSA-N 418.427 3.001 5 40 HGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2c(F)c(F)c(F)c(F)c2F)C1=O 9584412 FWNVHBKMKHOTTG-KRWDZBQOSA-N 415.274 3.258 5 40 HGBB Cc1sc(C(=O)Nc2ccc(NC(=O)[C@H](C)n3cncn3)cc2)cc1[N+](=O)[O-] 31136157 ZRNKKKJWTKARTL-JTQLQIEISA-N 400.420 3.008 5 40 HGBB COc1ccc(C2=NC(=O)[C@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)S2)cc1 6886473 PSMDJUMPQOYKQQ-INIZCTEOSA-N 415.427 3.029 5 40 HGBB COc1ccccc1Nc1nc(Nc2ccc3[nH]c(=O)[nH]c3c2)nc(C)c1[N+](=O)[O-] 16249516 CPRUTESRVPAERM-UHFFFAOYSA-N 407.390 3.359 5 40 HGBB COc1ccc(NC(=S)NC(=O)c2cccc(Br)c2)cc1[N+](=O)[O-] 17088392 BSWVKSXYVHIXEL-UHFFFAOYSA-N 410.249 3.493 5 40 HGBB O=[N+]([O-])c1ccccc1CN1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 24510409 MTCASJDKOAGIMY-UHFFFAOYSA-N 401.488 3.332 5 40 HGBB CC1CCN(c2ccc(C(=O)Nc3ccccc3S(C)(=O)=O)cc2[N+](=O)[O-])CC1 24835435 WDTLKGDBZURFCG-UHFFFAOYSA-N 417.487 3.487 5 40 HGBB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 3264279 FTOYNIKYZBYSJC-UHFFFAOYSA-N 414.414 3.302 5 40 HGBB O=C(COC(=O)c1ccccc1[N+](=O)[O-])Nc1ncc(C(F)(F)F)cc1Cl 3269918 QHIZVLLUSWLPAH-UHFFFAOYSA-N 403.700 3.458 5 40 HGBB COc1cc(-c2noc(-c3ccc(N(C)C)c([N+](=O)[O-])c3)n2)cc(OC)c1OC 8587029 OVGDAEHQLCSRDI-UHFFFAOYSA-N 400.391 3.404 5 40 HGBB CN(C)C1(CNc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CCCC1 32916205 GRYVUXGQZAPZLT-UHFFFAOYSA-N 424.567 3.446 5 40 HGBB CC(C)[C@@H](c1nnnn1Cc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 57670641 IAYOTGBNDZXZGI-NRFANRHFSA-N 421.505 3.149 5 40 HGBB O=C(CSc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccccc1 408994577 ZSFSZSJBUVQBAT-SUMWQHHRSA-N 419.484 3.114 5 40 HGBB CC1=NN(C(=O)c2cccc(Br)c2)[C@@](O)(c2ccc([N+](=O)[O-])cc2)C1 5232410 SQEHZCPXWDYZGV-KRWDZBQOSA-N 404.220 3.424 5 40 HGBB CCOC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc([N+](=O)[O-])cc2)NN1C 5716813 XBRVHLCGBXQICP-MRXNPFEDSA-N 403.826 3.080 5 40 HGBB COC(=O)c1cc(N2CCN(Cc3c(F)cccc3Cl)CC2)ccc1[N+](=O)[O-] 12545969 UTDTVPIBHRGSFC-UHFFFAOYSA-N 407.829 3.496 5 40 HGBB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc([N+](=O)[O-])cc1 12871408 XZNGFFGFJILKKX-SFHVURJKSA-N 411.370 3.041 5 40 HGBB CC(C)(C)OC(=O)N1CCCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1 78623954 ZCLAPHVSBCGIGU-UHFFFAOYSA-N 403.439 3.088 5 40 HGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)C1=O 205674995 SUMDIOHKPYNBCR-OVCLIPMQSA-N 402.384 3.373 5 40 HGBB O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 408603214 BMOWNDQNSYRCMI-LJQANCHMSA-N 415.421 3.098 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C 4800491 NHPLDWVUJCUTBW-UHFFFAOYSA-N 413.459 3.054 5 40 HGBB COc1ccc(NC(=O)CSc2nnc(C)n2Cc2ccccc2)c([N+](=O)[O-])c1 4985240 FYPXACAERKXZHE-UHFFFAOYSA-N 413.459 3.282 5 40 HGBB COc1ccc(Cl)cc1NC(=O)c1cc([N+](=O)[O-])ccc1Sc1nnnn1C 9315411 LADSMHBWGPXGGB-UHFFFAOYSA-N 420.838 3.184 5 40 HGBB Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c(C)c1 17089890 SWTDNEXPFBEQFW-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)C1CCN(c2nc3ccccc3o2)CC1 32879093 OPTSVMYKGQYFGG-UHFFFAOYSA-N 424.413 3.362 5 40 HGBB Cc1nn(CC(=O)NCc2ccccc2CN2C[C@H](C)C[C@@H](C)C2)c(C)c1[N+](=O)[O-] 48345237 SPAPEEXDSVEILD-HZPDHXFCSA-N 413.522 3.202 5 40 HGBB O=C(COC(=O)/C=C/c1ccccc1[N+](=O)[O-])Nc1ccc2c(c1)OC(F)(F)O2 6653919 RINZKDFBFLYPLG-VMPITWQZSA-N 406.297 3.111 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220569215 JEAPOMNLGJMTBN-GOSISDBHSA-N 405.476 3.395 5 40 HGBB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 260833562 YZPNNRMQAUNJIU-INIZCTEOSA-N 417.487 3.251 5 40 HGBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])o3)C2=O)cc1 409106888 NJGQNXZASDNJJE-NTEUORMPSA-N 417.399 3.262 5 40 HGBB COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@@H]([N+](C)(C)C)CC2 1576495 OLIFELOHIWMTQA-KRWDZBQOSA-N 400.495 3.442 5 40 HGBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1cccc(C(=O)O)c1 5898810 JNIORUUILGEDDK-FNORWQNLSA-N 405.819 3.473 5 40 HGBB O=C(C[C@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1cccc([N+](=O)[O-])c1 31813513 CVMRURWLSYGBGR-AWEZNQCLSA-N 412.793 3.029 5 40 HGBB CNC(C)(C)CNc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1[N+](=O)[O-] 89614184 KJVGPPXUBNEXOD-UHFFFAOYSA-N 406.508 3.422 5 40 HGBB CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)ccc1Cl 9491187 VCXIQYILESXERG-UHFFFAOYSA-N 418.258 3.404 5 40 HGBB CCOc1ccc(N(CCCCO)C(=S)NC(=O)c2cccc([N+](=O)[O-])c2)cc1 12290035 IWJHUYBSGMISEQ-UHFFFAOYSA-N 417.487 3.287 5 40 HGBB Cc1cc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCCC1=O 20104867 FSFYULKRCSBFAC-UHFFFAOYSA-N 409.851 3.484 5 40 HGBB O=C(NCc1ccccc1-n1cccn1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 58177870 CBVUCBJXTDGHHP-UHFFFAOYSA-N 405.458 3.313 5 40 HGBB COc1ccc(Oc2cc(N3C(=O)[C@@H]4[C@@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 102016771 XNGUJDZEBTVAIX-CADBVGFASA-N 410.382 3.063 5 40 HGBB CCc1cccc(C)c1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220410823 OQZHNBMBOFMCHT-CQSZACIVSA-N 405.476 3.259 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccccc1)S(C)(=O)=O 222373902 TVRDGQWWCHPMKX-MRXNPFEDSA-N 419.503 3.327 5 40 HGBB CC[C@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513412 BXGZXPNRLPNWNG-GOSISDBHSA-N 405.476 3.395 5 40 HGBB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225090538 GDDOFFWPCRHSHW-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB O=C(O)CC[C@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 408613167 XSYNVYLQGPAUFH-LJQANCHMSA-N 415.421 3.098 5 40 HGBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OC)cc1 2406406 VZIHASYDFONVMD-UHFFFAOYSA-N 413.437 3.480 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(CCN1CCOCC1)c1nc2ccccc2s1 22998135 DIBOAXJWILAZRG-UHFFFAOYSA-N 412.471 3.184 5 40 HGBB COc1ccc([C@@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 23994264 APVDLUQDYZTIAZ-HXUWFJFHSA-N 419.503 3.027 5 40 HGBB COc1ccc(C(=O)N2CCN(C(=O)c3ccc4ccccc4c3)CC2)cc1[N+](=O)[O-] 24837312 ROGGYXXMKLJNTJ-UHFFFAOYSA-N 419.437 3.355 5 40 HGBB O=C(Nc1cc2c(cc1Cl)OCO2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 25054933 ASUFUOJMWMVVPB-UHFFFAOYSA-N 405.794 3.066 5 40 HGBB Cc1cc(Br)c(O)c(C(=O)N2CCN(c3ccccc3[N+](=O)[O-])CC2)c1 58382232 SHXKTDDIAWZMRV-UHFFFAOYSA-N 420.263 3.334 5 40 HGBB CCOC(=O)c1[nH]c2ccc([N+](=O)[O-])cc2c1CCCN1C(=O)c2ccccc2C1=O 1304216 GTFWGPMLPGPXPP-UHFFFAOYSA-N 421.409 3.482 5 40 HGBB CCC[C@@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1)C2=O 9433936 WAKKQIBHJFCIGR-PGRDOPGGSA-N 422.441 3.025 5 40 HGBB CCN(CC)C[C@@H](C)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1[N+](=O)[O-] 57993265 FUXUPVXROXHCSN-MRXNPFEDSA-N 412.556 3.302 5 40 HGBB CC[C@H](C(=O)NC1CCCCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222525551 SHKZNGFOAUVFEO-GOSISDBHSA-N 411.524 3.369 5 40 HGBB COc1ccc(NC(=O)COc2ccc3c4c(c(=O)oc3c2)CCC4)c([N+](=O)[O-])c1 4369060 CHXPSHDVXGRDSG-UHFFFAOYSA-N 410.382 3.216 5 40 HGBB O=C(O)c1ccc(N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c([N+](=O)[O-])c1 5590441 VPWIHHTWBLQFPY-UHFFFAOYSA-N 406.782 3.181 5 40 HGBB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 8417315 ZZMHQWSAYSJPBT-UHFFFAOYSA-N 413.430 3.448 5 40 HGBB CCN(CC)CCOc1ccc(CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)cc1 32925418 SAJFZLBXYUPFLM-UHFFFAOYSA-N 421.519 3.102 5 40 HGBB COc1ccc(OC)c(CN(C2CC2)S(=O)(=O)Cc2cccc([N+](=O)[O-])c2)c1 89432607 PCJUQZWJUVOWFM-UHFFFAOYSA-N 406.460 3.106 5 40 HGBB Cc1cc(C)cc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220378876 RUAGLRMSLYNENX-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB CCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225010714 QTOAUHFUMSKQBN-MRXNPFEDSA-N 413.474 3.089 5 40 HGBB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409229556 QZOLTHBOEXELBY-GZTJUZNOSA-N 411.414 3.485 5 40 HGBB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)cc1OCC 3239136 KSYZJJRWGPZQBU-UHFFFAOYSA-N 406.366 3.327 5 40 HGBB CCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1[N+](=O)[O-] 6386309 IVSODILCEAFBMX-UHFFFAOYSA-N 416.459 3.469 5 40 HGBB CN(CC(=O)Nc1cccc(F)c1)C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8307889 YKJRILCRZBPWQO-UHFFFAOYSA-N 400.410 3.045 5 40 HGBB CN1CCN([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)CC1 9740486 XXOOBJOLFDFKDF-LJQANCHMSA-N 420.872 3.106 5 40 HGBB COc1cc(NC(=O)CSc2nnc(COc3ccccc3)o2)ccc1[N+](=O)[O-] 408554864 VAPCFDUXEKBDQF-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 2440875 XHBITTRYESHDPY-LJQANCHMSA-N 407.426 3.198 5 40 HGBB O=C(CSc1nc2ccccc2o1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 5969447 ZNZSZMDISHFLFS-UHFFFAOYSA-N 402.384 3.438 5 40 HGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc(OC[C@@H]2CCCO2)cc1 6949103 NRWWYZDMABQIKJ-IBGZPJMESA-N 415.398 3.376 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCCOCC1CC1 8747479 STPVYDYXFPELRY-UHFFFAOYSA-N 411.524 3.388 5 40 HGBB O=C(CCn1cnc2ccccc2c1=O)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1 9191398 GIKULIZLJKMPQK-UHFFFAOYSA-N 421.438 3.457 5 40 HGBB COc1ccc(CNc2ccc(S(=O)(=O)N3CCC(C)CC3)cc2[N+](=O)[O-])cn1 9338519 VGWWUVDWRUONCQ-UHFFFAOYSA-N 420.491 3.031 5 40 HGBB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 10252646 LUKKEMLJXQKDNE-UHFFFAOYSA-N 417.468 3.303 5 40 HGBB O=C(OCc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 25123226 PYVOPNIQOWULQL-UHFFFAOYSA-N 424.862 3.390 5 40 HGBB CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)NC(=O)N1C 2057819 JPPWCEWSUKONKG-IBGZPJMESA-N 411.414 3.187 5 40 HGBB O=C(NCCC(=O)OCc1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2 11440926 QWEPJHXHIZBTDA-UHFFFAOYSA-N 401.463 3.296 5 40 HGBB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1 223843455 CWEQZTHNPBNDNW-UHFFFAOYSA-N 405.215 3.489 5 40 HGBB Cc1cccc(OCc2nn(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(=S)o2)c1 409150714 DJPVHFMOPYLHEV-UHFFFAOYSA-N 416.415 3.346 5 40 HGBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2278923 AOUINBGOLSIMKJ-UHFFFAOYSA-N 415.453 3.247 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccccc2I)cc1 3184323 UBIAODIMZCODKA-UHFFFAOYSA-N 404.185 3.000 5 40 HGBB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 4519286 ROJKLZGWMUNUOA-OAHLLOKOSA-N 406.441 3.194 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(Cl)c([N+](=O)[O-])c1 14000270 SSQJDLMDMPWGFJ-CYBMUJFWSA-N 403.822 3.409 5 40 HGBB CC1CCN(c2ccc(C(=O)Nc3ccc4c(c3)C(=O)N(C)C4=O)cc2[N+](=O)[O-])CC1 16016939 QZVDQTRDAFGYST-UHFFFAOYSA-N 422.441 3.309 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(OC)c1)S(C)(=O)=O 220622219 MKRWNMDAOFWVEF-KRWDZBQOSA-N 421.475 3.095 5 40 HGBB CCOc1cccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222366232 GKLOMHQAWGHJET-UHFFFAOYSA-N 421.475 3.178 5 40 HGBB O=C(NCCc1csc(-c2ccc(F)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 4570935 CZVVHFAOHLALGK-UHFFFAOYSA-N 414.418 3.155 5 40 HGBB CC1(C)C[C@@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2cccc([N+](=O)[O-])c2)CCO1 5862254 CCVVHHAPYLFUDF-XJKSGUPXSA-N 418.475 3.402 5 40 HGBB Cc1ccccc1[C@H](C)Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1 10810190 BMKDEWUVLGABDR-HNNXBMFYSA-N 405.476 3.097 5 40 HGBB Cc1nc(-c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cs1 12879002 XSXGDVWJOLPXLC-UHFFFAOYSA-N 417.468 3.484 5 40 HGBB O=C1NC(=O)/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)N1 14011322 QRRYDVMXAAMZPU-RIYZIHGNSA-N 418.203 3.117 5 40 HGBB COc1cccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c1 17088393 CKUVJMGHOLAHQU-UHFFFAOYSA-N 410.249 3.493 5 40 HGBB O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 19298451 WSVGZPWPRFAKSU-LJQANCHMSA-N 412.398 3.234 5 40 HGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccc(-c2ccc(F)cc2)o1 32759613 CHHYLTCZTJTCAX-UHFFFAOYSA-N 406.391 3.481 5 40 HGBB COC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224783405 FWOKDAOEHQVLNB-UHFFFAOYSA-N 406.460 3.197 5 40 HGBB COc1cccc(OC)c1C(=O)N1CCN=C1SCc1cccc([N+](=O)[O-])c1 4120659 JZJZXAZCQOXUJK-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB COc1ccccc1NC(=O)Cc1nnc(SCc2ccccc2[N+](=O)[O-])n1C 9699433 KGOAGSKDERAQNY-UHFFFAOYSA-N 413.459 3.205 5 40 HGBB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1[N+](=O)[O-] 12907199 ZXHJQKQUEBLCLH-UHFFFAOYSA-N 417.487 3.008 5 40 HGBB C[C@@H](Oc1ccc([N+](=O)[O-])cc1)C(=O)Nc1nc2ccc(S(C)(=O)=O)cc2s1 20606123 APYCJZULHJNKAO-SNVBAGLBSA-N 421.456 3.014 5 40 HGBB COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025329 KTWBAHVEVLMYSA-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O)c1ccc([N+](=O)[O-])cc1 409360421 PKUQQGPROIENAL-CAOOACKPSA-N 412.379 3.243 5 40 HGBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc(C(N)=O)c1C 6047143 VAFMWXVDKKACJK-UHFFFAOYSA-N 411.823 3.146 5 40 HGBB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 6832106 NFYLCEDAKHHCAG-UHFFFAOYSA-N 410.430 3.085 5 40 HGBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1F 13482059 SUHCXUQUJGHTDR-CLFYSBASSA-N 413.361 3.281 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 32119067 GLKVCYCWPMOFPM-UHFFFAOYSA-N 416.242 3.499 5 40 HGBB COc1ccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)cc1 218053270 JNCJBSFZNIMMSV-UHFFFAOYSA-N 414.443 3.203 5 40 HGBB Cc1ccccc1NC(=O)COc1ccc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1 409325147 XDTSQDCLYLNLDB-DHZHZOJOSA-N 422.397 3.292 5 40 HGBB O=C(CNc1ccc([N+](=O)[O-])cc1)Nn1c(-c2ccccc2)nc2ccccc2c1=O 5593758 JHVVRIIJOGGHPS-UHFFFAOYSA-N 415.409 3.154 5 40 HGBB Cc1c(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c2ccccc2n1Cc1ccccc1 6414894 BFMPMZDXTHHMEX-VAWYXSNFSA-N 402.410 3.453 5 40 HGBB O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccc(N2CCCCC2)cc1 8780521 XDHAPHDNTXQDOS-UHFFFAOYSA-N 413.478 3.040 5 40 HGBB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1 14291097 VDWOCQZSSBSMKU-UHFFFAOYSA-N 420.853 3.398 5 40 HGBB COc1ccc(S(=O)(=O)Nc2ccc(Sc3nccn3C)cc2)cc1[N+](=O)[O-] 40024978 ACYBPHRGCJRECH-UHFFFAOYSA-N 420.472 3.289 5 40 HGBB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccc([N+](=O)[O-])cc1Cl 101729756 SZVUUSFTBQTCAI-TYGXQLQZSA-N 408.838 3.061 5 40 HGBB CCC(CC)C(=O)OC[C@@H](C(=O)OC1C[C@@H]2[C@@H]3O[C@@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 104158400 QMSAITMOQPMPNH-LTOWJXQQSA-N 416.538 3.050 5 40 HGBB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3cccc([N+](=O)[O-])c3)n2)c(OC)c1 217892067 ARKSGQVKTQXZHN-JXMROGBWSA-N 424.413 3.334 5 40 HGBB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2cc(OC)c(O)c([N+](=O)[O-])c2)S1 408801132 UBZQOMREMXSUKK-UHFFFAOYSA-N 416.435 3.389 5 40 HGBB O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(F)c([N+](=O)[O-])c1 5944343 AWLIBWGFXRFZHT-UHFFFAOYSA-N 404.442 3.331 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1ccccc1Cl 7166177 COFLZULSYMIEJM-UHFFFAOYSA-N 414.892 3.420 5 40 HGBB CSCC[C@@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 9864059 VMWSHIYIBTXJOL-KRWDZBQOSA-N 414.439 3.056 5 40 HGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)c1C 12931497 PPWUODWSRXKXAX-INIZCTEOSA-N 408.462 3.424 5 40 HGBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102736317 AFCTZKYPTZBVGN-AQNXPRMDSA-N 416.393 3.041 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N1CCCc2ccccc21)S(C)(=O)=O 220392442 GROYQMUSOMDFEH-HNNXBMFYSA-N 417.487 3.037 5 40 HGBB Cc1cc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 223419557 BMHLUXDRJQRCFU-MRXNPFEDSA-N 419.503 3.163 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCS2(=O)=O)cc1 5099727 OQZMAEPSJXSQJF-UHFFFAOYSA-N 409.851 3.431 5 40 HGBB Cc1cc(F)ccc1NC(=O)CCNS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 13139482 HPUPIIIBYSFEMB-UHFFFAOYSA-N 415.830 3.003 5 40 HGBB O=C(Nc1ccc(F)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 30260276 IAMVMMQPNJKGSJ-UHFFFAOYSA-N 406.801 3.377 5 40 HGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(F)c1 2289669 XVWQPLXJBWWFGQ-UHFFFAOYSA-N 403.417 3.459 5 40 HGBB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@]31C 9328150 SBEZFIPFTGBYJL-OAQYLSRUSA-N 406.398 3.325 5 40 HGBB biogenic COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2C)c([N+](=O)[O-])c1 10264523 PITHRKVMIAFELB-UHFFFAOYSA-N 413.459 3.438 5 40 HGBB NC(=O)c1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2 13946199 DADLGUSJQSDFEJ-UHFFFAOYSA-N 400.460 3.096 5 40 HGBB CS(=O)(=O)c1ccc(NCc2cccc(NC(=O)c3ccco3)c2)c([N+](=O)[O-])c1 25571184 SQZHOYSRMDHVHU-UHFFFAOYSA-N 415.427 3.456 5 40 HGBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccccc1 103577586 XBZVSHPSYCLFJU-PZJWPPBQSA-N 412.405 3.377 5 40 HGBB Cc1c(NC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 219751278 LBJBWLAKSVEJDV-QGZVFWFLSA-N 423.878 3.348 5 40 HGBB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224768681 XYQPOYMUJMUFQW-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1 2284064 MLSIVUDSJKWPIO-UHFFFAOYSA-N 415.453 3.329 5 40 HGBB Nc1nc(N2CCC(Cc3ccccc3)CC2)nc(NC[C@@H]2CCCO2)c1[N+](=O)[O-] 4306180 USTZNXHZCDZFMC-KRWDZBQOSA-N 412.494 3.017 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 7669792 ZZJDKTYZCVXXEY-INIZCTEOSA-N 409.851 3.040 5 40 HGBB Cc1c(NC(=O)CN(c2ccccc2C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 22393053 PWZSGJBYEKWZJK-UHFFFAOYSA-N 405.476 3.431 5 40 HGBB Cc1ccc(S(N)(=O)=O)cc1C(=O)OCc1cc(=O)oc2ccc3ccccc3c12 36235303 MWUAEBRFRMISGH-UHFFFAOYSA-N 423.446 3.259 5 40 HGBB CC[C@H]1[C@@H]2C[C@H]3[C@@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 100744751 KIPHTHYSVQAMJV-SKIUHBFYSA-N 417.573 3.270 5 40 HGBB Cc1nn(Cc2c(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)noc2C)c(C)c1[N+](=O)[O-] 102629815 KSATXQVGRQIAQY-BWAGICSOSA-N 401.467 3.307 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@@H]1C[C@H]2C[C@H]3C[C@H]2C[C@H]1C3 102692002 BTUZUIDUPGWLIR-RHQZKXFESA-N 416.542 3.291 5 40 HGBB O=C(NC[C@H](c1ccco1)S(=O)(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1 4518891 DZGQTFSHJPNMTA-GOSISDBHSA-N 400.412 3.133 5 40 HGBB COc1ccc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc1[N+](=O)[O-] 4846347 ZYZURIWIJZGBCS-UHFFFAOYSA-N 412.442 3.242 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(F)c(F)c2)cc1 11665603 QIEZCHPRAFRVNP-LJQANCHMSA-N 419.409 3.468 5 40 HGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1ccc(OC(F)(F)F)cc1 28042433 ILNHKOZHOVRJLY-UHFFFAOYSA-N 420.365 3.323 5 40 HGBB COc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c([N+](=O)[O-])cc1OC(F)F 40023490 NCCVIBZIHIRZOE-MRVPVSSYSA-N 423.328 3.177 5 40 HGBB CCCCNC(=O)c1cc([N+](=O)[O-])cc2c1-c1c(cc([N+](=O)[O-])cc1[N+](=O)[O-])C2=O 100020265 GNEKYZVLXPULNM-UHFFFAOYSA-N 414.330 3.153 5 40 HGBB CN(C)[C@@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccco1 5698988 FYQHUTOJHZTAQC-SFHVURJKSA-N 422.507 3.077 5 40 HGBB COC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1C)C(Cl)(Cl)Cl 6194341 ZRKGECGUUUPXJP-VIFPVBQESA-N 415.686 3.242 5 40 HGBB COc1ccc(NC(=O)COC(=O)c2nc(Cl)ccc2Cl)c([N+](=O)[O-])c1 6454022 LREUHJUSXVTTHR-UHFFFAOYSA-N 400.174 3.101 5 40 HGBB Cc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1C 17089884 BKFOAGWJOKSESS-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB CN(C[C@H]1COc2ccccc2O1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 18004974 ROJSXRYIQGFUKV-KRWDZBQOSA-N 411.458 3.110 5 40 HGBB O=C([C@H]1Cc2ccccc2CN1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)N1CCCC1 36392009 GFEQZDJEYWFPIS-LJQANCHMSA-N 413.861 3.438 5 40 HGBB COc1ccc(S(=O)(=O)Nc2ccccc2Sc2nccn2C)cc1[N+](=O)[O-] 69419666 SSHSXLWAHFWHBH-UHFFFAOYSA-N 420.472 3.289 5 40 HGBB O=C(c1ccc2[nH]c3ccccc3c(=O)c2c1)N1CC[C@]2(C1)C(=O)Nc1ccccc12 672976254 RYYXBDMYJJNYNV-RUZDIDTESA-N 409.445 3.417 5 40 HGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1)NCc1cccs1 5688964 HEHVZEKKOYDGFN-UHFFFAOYSA-N 403.460 3.120 5 40 HGBB Cc1c(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] 12907217 VBXCHWSJHMEUAR-UHFFFAOYSA-N 417.487 3.008 5 40 HGBB O=C(O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408748633 BJMDVNSEZINFOV-UHFFFAOYSA-N 415.408 3.182 5 40 HGBB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)cc1 862149 AAJMKHLNIPJPPV-UHFFFAOYSA-N 411.443 3.324 5 40 HGBB COC(=O)c1cc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc([N+](=O)[O-])c1 3353203 JBSMXOVWPOTMFP-UHFFFAOYSA-N 411.366 3.462 5 40 HGBB O=C(OCc1cccc([N+](=O)[O-])c1)c1ccc(S(=O)(=O)NCc2ccco2)cc1 3578092 CQUWESVKFCRVKD-UHFFFAOYSA-N 416.411 3.023 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17087502 JOSDZIWPVFYENS-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB Cn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccccc1Cl 409154371 NVMNAVFGDQJLEX-UHFFFAOYSA-N 419.850 3.480 5 40 HGBB CN(C)C(=O)[C@H](OC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1ccccc1 6847343 VEKNVALHVZSWQX-OAHLLOKOSA-N 407.220 3.344 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C(=O)NC[C@H](c1cccc2ccccc12)N(C)C 10333850 ZXLHPTHZQQIRKK-OAQYLSRUSA-N 420.469 3.414 5 40 HGBB CC(C)CC(=O)NN1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O 96601964 MCCOGQYLTAEDMY-UHFFFAOYSA-N 420.219 3.184 5 40 HGBB CCOc1cccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 222527536 MCNKCRPYIXFXTF-SFHVURJKSA-N 421.475 3.177 5 40 HGBB O=[N+]([O-])c1ccc(N2CC[C@@H](Nc3ccccc3)C2)c(S(=O)(=O)N2CCCC2)c1 58264168 BTNCIARNSAVBHP-QGZVFWFLSA-N 416.503 3.070 5 40 HGBB COc1ccc(C(=O)Nc2cc(N3CCN(C)CC3)c([N+](=O)[O-])cc2Cl)cc1 72229579 ZTQMHDMAVWEREF-UHFFFAOYSA-N 404.854 3.261 5 40 HGBB Cc1nn(C)c(C)c1[C@H](NCc1cc([N+](=O)[O-])cc2c1OCOC2)C(F)(F)F 555801151 KQWUXJVDOPKQRK-INIZCTEOSA-N 400.357 3.205 5 40 HGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 4307111 ZGRAOKRONTYSLK-QEXACSHWSA-N 411.458 3.147 5 40 HGBB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)C1 4840018 OAGVMVPFBCQFTK-HZPDHXFCSA-N 403.479 3.246 5 40 HGBB CCN1CCC(N(C)c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 12644515 HYTDOAQENJRIAG-UHFFFAOYSA-N 424.567 3.080 5 40 HGBB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154352 GYTUSYPJDFYEJK-UHFFFAOYSA-N 418.881 3.454 5 40 HGBB CCOc1ccc(C(=O)N[C@H](c2cccc(OC)c2)c2nccn2C)cc1[N+](=O)[O-] 24019003 WOISNPMSMFQPBR-LJQANCHMSA-N 410.430 3.255 5 40 HGBB COc1ccc(NC(=O)CN2CCN(Cc3cccc(Cl)c3)CC2)c([N+](=O)[O-])c1 45343469 QRZGXWQWMRUTGQ-UHFFFAOYSA-N 418.881 3.013 5 40 HGBB O=C(CCN1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1)NC1CC1 89762013 KQNCENABOZDMAJ-UHFFFAOYSA-N 420.819 3.058 5 40 HGBB CC[C@@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534895 RLOIHLNSPIPDDE-QAPCUYQASA-N 419.503 3.325 5 40 HGBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSCc1ccc([N+](=O)[O-])cc1 408564183 SKRJJBSVBUUIKL-UHFFFAOYSA-N 420.443 3.271 5 40 HGBB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 845595 QASPKMXTXASUDV-GOSISDBHSA-N 412.471 3.425 5 40 HGBB Cc1cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)ccc1[N+](=O)[O-] 6964075 UZPHENYBXZPVEO-UHFFFAOYSA-N 404.810 3.427 5 40 HGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 8994190 CNNANLSSXMBEHB-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 9360889 ZNOADRSMXVDYKA-NCYKPQTJSA-N 417.421 3.008 5 40 HGBB Cc1cccc(C(=O)NCc2ccccc2S(=O)(=O)N2CCCCC2)c1[N+](=O)[O-] 12799956 JJKXEEPQLVYASE-UHFFFAOYSA-N 417.487 3.008 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1OC)N(c1ccc(C)cc1)S(C)(=O)=O 13713562 ATHQZZFEXBRVCQ-QGZVFWFLSA-N 421.475 3.095 5 40 HGBB O=C(c1cnn(-c2ccc([N+](=O)[O-])cc2)c1)N1CCCN(Cc2cccs2)CC1 40134012 MADZDPWKVIDWPY-UHFFFAOYSA-N 411.487 3.190 5 40 HGBB CCN1CCN(C(=O)c2cc3c4ccccc4n4c(=O)c5ccccc5c(n2)c34)CC1 62001268 CRFOCNJGBPFDCQ-UHFFFAOYSA-N 410.477 3.370 5 40 HGBB biogenic CN1CCN(CCCNC(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)CC1 253416879 HGYXBOKCLSJEBF-UHFFFAOYSA-N 414.531 3.113 5 40 HGBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 408640172 AOGRHGZNBAITTD-GOSISDBHSA-N 423.425 3.153 5 40 HGBB COC(=O)c1cc2cc3cc(C(=O)OC)c(C(=O)OC)cc3cc2cc1C(=O)OC 3122125 QWRORURJOJXUCO-UHFFFAOYSA-N 410.378 3.139 5 40 HGBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nncn1-c1ccccc1F 9469152 FHAJTQGFWIGLGG-LLVKDONJSA-N 417.422 3.443 5 40 HGBB O=C(COc1cccc(Br)c1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 9653610 MORAQBBFBIUYNH-UHFFFAOYSA-N 420.263 3.085 5 40 HGBB Cn1ccnc1[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 16470940 BIANGZSBAFMMSL-NRFANRHFSA-N 419.485 3.451 5 40 HGBB CCCC(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17089124 SXLUOMZBPIREIE-UHFFFAOYSA-N 412.446 3.422 5 40 HGBB O=C(NC1CC1)c1ccc(NC[C@H](c2cccs2)N2CCOCC2)c([N+](=O)[O-])c1 32869560 PFQQQWWPLQWILR-GOSISDBHSA-N 416.503 3.034 5 40 HGBB O=C(Cc1ccccc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 7093859 ANMAJFOWIMAHLQ-UHFFFAOYSA-N 418.906 3.014 5 40 HGBB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 17091449 WMQRKEFCRDMZGJ-SECBINFHSA-N 418.500 3.007 5 40 HGBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142900 KEJCGAYPAOZDBO-UHFFFAOYSA-N 423.425 3.436 5 40 HGBB COc1ccccc1[C@@H](CNC(=O)c1cc(C)cc([N+](=O)[O-])c1N)N1CCCCC1 62640092 KAFPVQLESKUFPN-LJQANCHMSA-N 412.490 3.451 5 40 HGBB COc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2cc([N+](=O)[O-])c(C)s2)cc1 65589421 GJENWJWDIYEKJQ-AWEZNQCLSA-N 407.473 3.127 5 40 HGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1cccc(F)c1)S(C)(=O)=O 220480820 IPMNOBCSJSDQCH-SNVBAGLBSA-N 415.830 3.181 5 40 HGBB O=C(CCCc1c[nH]c2ccccc12)N1C[C@@H]2C[C@H](C1)Cn1c2ccc([N+](=O)[O-])c1=O 604405272 YGJWDWMXPPFGRP-WBVHZDCISA-N 420.469 3.206 5 40 HGBB biogenic Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)CC1=O 7881462 RLKCUGCBOZANSN-AWEZNQCLSA-N 416.817 3.336 5 40 HGBB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 59502991 MISTWNRTQSGRAT-OQLLNIDSSA-N 400.368 3.147 5 40 HGBB CN(Cc1nc(-c2cccc(Cl)c2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 223591608 BRIWRHNVKHJLPY-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB C[C@@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 3514113 GAGXBJICYCENQU-SNVBAGLBSA-N 406.778 3.203 5 40 HGBB Cc1c(NC(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(=O)n(-c2ccccc2)n1C 5118661 JXUFQQWCWSVALR-UHFFFAOYSA-N 416.821 3.064 5 40 HGBB CN(Cc1ccccc1[N+](=O)[O-])C(=O)c1occc1CS(=O)(=O)c1ccccc1 31930790 QRNPRRJTHVWIRJ-UHFFFAOYSA-N 414.439 3.434 5 40 HGBB O=C(CCNc1ccccc1[N+](=O)[O-])N1CCC2(CC1)C[C@@H]2C(=O)N1CCCCC1 95457940 CEDNSMMMLQCZRR-QGZVFWFLSA-N 414.506 3.038 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(OCCOc2ccc(F)cc2)c([N+](=O)[O-])c1 5347376 VJNROFYQJLDKRX-UHFFFAOYSA-N 412.439 3.222 5 40 HGBB O=C(COC(=O)c1ccc(Br)o1)Nc1ccc(Cl)cc1[N+](=O)[O-] 5865852 FKTOTJHMNPQPRN-UHFFFAOYSA-N 403.572 3.399 5 40 HGBB Cc1ccc(NC(=O)c2ccc(OS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)nc1 6652160 CWOYOPYJGFEEAI-UHFFFAOYSA-N 413.411 3.318 5 40 HGBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 8475252 MOHVKDCNMLZBGZ-MJGOQNOKSA-N 419.437 3.494 5 40 HGBB O=C(COc1ncnc2ccc(Br)cc12)Nc1cc([N+](=O)[O-])ccc1F 9442209 WKZNPOGUVDCRRK-UHFFFAOYSA-N 421.182 3.457 5 40 HGBB O=C(Nc1cc(Cl)ccc1[N+](=O)[O-])c1cccn(OCc2ccc(F)cc2)c1=O 9599664 IWLXVDRAQHWBLL-UHFFFAOYSA-N 417.780 3.430 5 40 HGBB Cc1cc(C(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)ccc1[N+](=O)[O-] 15880868 GMRLMKSWQGHBTE-UHFFFAOYSA-N 412.427 3.016 5 40 HGBB CCOc1cc(CNc2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC(N)=O 408603197 BKCFRPVMHDUQBW-UHFFFAOYSA-N 424.251 3.232 5 40 HGBB C[C@H](NC(=O)COC(=O)c1ccc(N)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 5709868 PJHVJTHXWKEDFZ-PXRHCINRSA-N 401.463 3.055 5 40 HGBB C[C@@H]1CCc2sc(NC(=O)c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(C(N)=O)c2C1 11617387 LUSGODXDWJKIDP-MRVPVSSYSA-N 404.404 3.041 5 40 HGBB Cc1cccc(-n2ncc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2C)c1 12823826 UICJCGIVOCLRKN-UHFFFAOYSA-N 405.458 3.360 5 40 HGBB O=[N+]([O-])c1cc(C(F)(F)F)ccc1NCCCN1CCN(c2ncccn2)CC1 22955750 NQTSJGMLYXUSRF-UHFFFAOYSA-N 410.400 3.028 5 40 HGBB CCOC(=O)Nc1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCC 408586753 QMRXTSPUGLOOMK-UHFFFAOYSA-N 409.420 3.363 5 40 HGBB O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)cc1C(F)(F)F 1420904 KGVGAJKZDTWDGH-UHFFFAOYSA-N 415.715 3.079 5 40 HGBB Cc1ccccc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 4076434 AAJCUKJNTBFYFZ-UHFFFAOYSA-N 403.441 3.445 5 40 HGBB CC[C@@H](NC(=O)c1ccc(N2CCN(C(C)=O)CC2)c([N+](=O)[O-])c1)c1ccc(C)cc1 12522819 PFRVFGBMXHFBIX-HXUWFJFHSA-N 424.501 3.453 5 40 HGBB CC(C)OC(=O)C[C@@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] 14378818 DATARECEXVQMSJ-QGZVFWFLSA-N 408.414 3.351 5 40 HGBB COc1ccccc1N1CCN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)CC1 20238362 OWAODHGGNDFKCG-UHFFFAOYSA-N 401.488 3.185 5 40 HGBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N 100573197 JRLXWNNKHJNZNT-UHFFFAOYSA-N 408.845 3.007 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H]2C(C)C)cc1 5171890 JUNKEGXOORJSJV-LJQANCHMSA-N 417.487 3.032 5 40 HGBB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccc([N+](=O)[O-])cc1 7814149 FMLPUQWUZSCXBL-UHFFFAOYSA-N 403.192 3.318 5 40 HGBB Nc1ccccc1CNC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 13576595 LLTDMUOGVIYTHM-STZFKDTASA-N 416.437 3.264 5 40 HGBB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142698 YEAIGWLTOBQLAN-UHFFFAOYSA-N 423.425 3.436 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1C 32517272 SIRDWRQOIVITTE-UHFFFAOYSA-N 403.460 3.248 5 40 HGBB Cc1ccccc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57475481 MLZRXCGPRJFQPS-UHFFFAOYSA-N 405.458 3.212 5 40 HGBB O=C(COC(=O)C[C@@H]1OC(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1Cl 7985772 XFGPYGMCKSTDLA-HNNXBMFYSA-N 404.762 3.032 5 40 HGBB C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)N1CCc2ccccc21 24275439 ZMVOSWGNJDUDID-INIZCTEOSA-N 423.469 3.332 5 40 HGBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1nc(-c2c(F)cccc2F)co1 95982876 NFLGXTBMLIIQCI-UHFFFAOYSA-N 416.296 3.075 5 40 HGBB O=[N+]([O-])c1cccc([C@@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)c1 111999919 QRIMKXQWDKUNGL-MRXNPFEDSA-N 422.792 3.092 5 40 HGBB CC[C@@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222922043 NXLMLGAAFQFPEF-IBGZPJMESA-N 415.515 3.381 5 40 HGBB Cn1c(Sc2ccc([N+](=O)[O-])cn2)nnc1-c1cc(Br)ccc1O 408606810 QHTGBZATMLACEI-UHFFFAOYSA-N 408.237 3.405 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17091014 FABTXAXAZLBDAF-UHFFFAOYSA-N 417.377 3.413 5 40 HGBB CCN(C(=O)CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)C12CC3CC(CC(C3)C1)C2 20989041 YRWCTCABOILYEZ-UHFFFAOYSA-N 411.458 3.008 5 40 HGBB NC(=O)CN1c2ccccc2C(=O)N[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)s1 28512071 ZGPNQFFPYDJZBN-LJQANCHMSA-N 408.439 3.057 5 40 HGBB C[C@@]1(C2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)NC(=O)NC1=O 72312269 JZKQACAEGSJAQX-HNNXBMFYSA-N 420.775 3.082 5 40 HGBB COC[C@H](CCO)NC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])c(OC)c1 89409710 IXMARLFKYFXSLN-AWEZNQCLSA-N 424.837 3.176 5 40 HGBB CCN(c1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964024 KOPUXRHUMYJETA-UHFFFAOYSA-N 400.840 3.481 5 40 HGBB Cc1c(NC(=O)CCc2ccc(S(=O)(=O)NCC(C)C)cc2)cccc1[N+](=O)[O-] 408583656 JFSPURDPHNKCAF-UHFFFAOYSA-N 419.503 3.409 5 40 HGBB COc1ccc(-c2ccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])o2)c([N+](=O)[O-])c1 409317028 OEFWXXMLOMCHRW-UTCJRWHESA-N 400.303 3.143 5 40 HGBB CCOC(=O)c1c(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])sc2c1CCC2 3414234 KPUGJGJBRBXDAG-UHFFFAOYSA-N 405.432 3.043 5 40 HGBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)ccc1[N+](=O)[O-] 5736169 OYEIMWXTCLWSMM-UHFFFAOYSA-N 410.474 3.460 5 40 HGBB O=C(OCCCn1c(=O)[nH]c2ccccc21)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12577711 DNIVHNAKDGBNSV-UHFFFAOYSA-N 424.457 3.475 5 40 HGBB COC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])cc1 12950527 GHVMRMFQDCQOQD-CQSZACIVSA-N 410.407 3.037 5 40 HGBB Cc1cc(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)cc(C)c1Cl 20154340 DCKJYXNJQXWBRK-UHFFFAOYSA-N 418.881 3.292 5 40 HGBB CN(C)[C@@H](CNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl 21556826 JGLWLXVLZUHQOK-OZSKJFCKSA-N 417.849 3.409 5 40 HGBB CCN(CCC1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1)CC1CC1 95458050 WCEQBQHEGLHNPO-UHFFFAOYSA-N 409.552 3.337 5 40 HGBB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 102168578 QSEONKXXOFBSKR-HLLBOEOZSA-N 403.479 3.293 5 40 HGBB CNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408738662 UHFQLRDVUJKIKR-OAQYLSRUSA-N 417.465 3.200 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(Cc2ccc3c(c2)CCO3)CC1 21959817 QDSIJSGDZCSGAC-UHFFFAOYSA-N 401.850 3.141 5 40 HGBB O=C(O)[C@@H]1[C@@H](c2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)[C@H]2C=C[C@H]1C2 101018082 TVBNDFOIIJKQQP-LNMJFAINSA-N 410.433 3.295 5 40 HGBB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1cccc([N+](=O)[O-])c1 217867860 JFJXNJRDGZAMMV-UHFFFAOYSA-N 403.192 3.337 5 40 HGBB CC(C)(C)[C@H]1CCCC[C@@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 1563854182 NKGBIGYYDAHSCO-QXCFHYIPSA-N 407.511 3.141 5 40 HGBB O=C(Cc1ccccc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 6269552 OKWOTLKACHNJOX-UHFFFAOYSA-N 418.906 3.014 5 40 HGBB CCc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220382552 QRKQRWAYZAVULJ-CQSZACIVSA-N 405.476 3.259 5 40 HGBB CC[C@H](C(=O)NCCC1=CCCCC1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222521200 QDDUKVNAXMYJAC-GOSISDBHSA-N 409.508 3.146 5 40 HGBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)NCc1ccc2c(c1)OCO2 6948130 ALAMXSNBIFTVCB-UHFFFAOYSA-N 403.441 3.342 5 40 HGBB C[C@@]12CC3CC(NC(=O)c4ccc(N5CCNCC5)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 4688193 NZWRVXMQYHWDNI-QLOAFGCXSA-N 412.534 3.483 5 40 HGBB C[C@@H](NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1 10967712 DYOYSIHDJFXKKF-CQSZACIVSA-N 417.487 3.090 5 40 HGBB O=C(Nc1ccccc1Br)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17083307 CCBWQNKUXPJCBX-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCCC1 7361519 WOGKWAMYSFZLDX-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2ccc(F)cc2)C1=O)Nc1ccc([N+](=O)[O-])cc1O 16920382 NSICKYVELAOYIB-CHHVJCJISA-N 417.374 3.115 5 40 HGBB CCCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409240292 GHLJXXWPBAZZAW-MHWRWJLKSA-N 411.414 3.485 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1 1518323 QCARBONPSJWWSF-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB COC(=O)c1ccc2c(=O)n3cc(C(=O)c4ccccc4O)cc(Cl)c3nc2c1 9114661 DSCAHUNQJWBPIW-UHFFFAOYSA-N 408.797 3.224 5 40 HGBB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9596136 NEWWIGJTJVPXRQ-UHFFFAOYSA-N 418.258 3.161 5 40 HGBB O=C(Nc1ccccc1C(=O)NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1cccs1 32795460 DZXBLOZSZGFJLE-KRWDZBQOSA-N 411.439 3.372 5 40 HGBB COC(=O)c1ccc(CSc2nnc3ccc(-c4cccc([N+](=O)[O-])c4)nn23)o1 36662679 ZMZYBILNTSAGRZ-UHFFFAOYSA-N 411.399 3.371 5 40 HGBB Cc1c(CN2CCSCC2)cccc1NC(=O)COc1cccc([N+](=O)[O-])c1 58157638 GCTGLJUVQAEQRN-UHFFFAOYSA-N 401.488 3.470 5 40 HGBB COc1ccc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 103149261 XNGUJDZEBTVAIX-MKXGPGLRSA-N 410.382 3.063 5 40 HGBB COc1ccc(C)c2sc(N3CCN(C(=O)c4ccccc4[N+](=O)[O-])CC3)nc12 4583552 QAYYPOBREHJEPQ-UHFFFAOYSA-N 412.471 3.484 5 40 HGBB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 5263070 BUXFRLUYXGEFMZ-UHFFFAOYSA-N 421.457 3.094 5 40 HGBB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1cc(C)ccc1[N+](=O)[O-] 36612365 KZSTUVREULLFRV-KDOFPFPSSA-N 404.444 3.279 5 40 HGBB O=C1N/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409333490 TZVKMSUMVKRYSR-ZSOIEALJSA-N 402.204 3.450 5 40 HGBB Cc1c(C(=O)Nc2cccc(-c3ccc(N4CCOCC4)nn3)c2)cccc1[N+](=O)[O-] 4939915 ZUVPRVUXTXILLA-UHFFFAOYSA-N 419.441 3.449 5 40 HGBB CCCOc1ccc(N2C[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3OC)CC2=O)cc1 5708186 JSZGRXWSHQRDOX-CQSZACIVSA-N 413.430 3.384 5 40 HGBB Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4cccc([N+](=O)[O-])c4)cc3)nc2n1 9572169 SZWRMBUXFOWMQL-UHFFFAOYSA-N 409.427 3.414 5 40 HGBB Cc1nn(CCNC(=O)c2ccc(COc3ccc(F)cc3F)o2)c(C)c1[N+](=O)[O-] 17092127 XAQJLTASTKZTJK-UHFFFAOYSA-N 420.372 3.288 5 40 HGBB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142675 FHAJMQSAYGEWFY-UHFFFAOYSA-N 405.794 3.035 5 40 HGBB Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)sc2ncn(C)c(=O)c12 32823652 BUNAOKJJLJRXLN-UHFFFAOYSA-N 406.851 3.137 5 40 HGBB COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@H]2[N+](=O)[O-])cc1 36038155 PHVJOZFYTCDHBH-ZRNYENFQSA-N 415.446 3.406 5 40 HGBB Cc1cccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1 220138406 SMPBKHBLESSIAP-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB CC[C@@H](C(=O)N(C)Cc1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222530776 XIAROWTWYXOVDX-SFHVURJKSA-N 419.503 3.106 5 40 HGBB COc1ccc2c(CCNC(=O)[C@@H]3CCCN(c4ccc([N+](=O)[O-])cn4)C3)c[nH]c2c1 20648639 HYBNHXWJRRKDIW-MRXNPFEDSA-N 423.473 3.055 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 22226603 XMPKSVZOVNYIEW-UHFFFAOYSA-N 400.460 3.348 5 40 HGBB CSc1n[nH]c(-n2ccc3nc4ccn(C5CCCCC5)c(=O)c4cc3c2=O)n1 40398862 VSQQFTQFYKYNJH-UHFFFAOYSA-N 408.487 3.046 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 220423348 LDNVBOIYZCAQQL-HZPDHXFCSA-N 419.503 3.244 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccccc1F)S(C)(=O)=O 220596021 MNLXAVNMQAMHAX-INIZCTEOSA-N 409.439 3.226 5 40 HGBB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222529083 CTNHXFIOXZMAMI-KXBFYZLASA-N 419.503 3.325 5 40 HGBB O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1 3282452 VEFAQHXDZWDFDW-UHFFFAOYSA-N 417.805 3.171 5 40 HGBB CC(=O)Nc1ccc(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 5850644 UEIJYUVMGGQMFL-JTQLQIEISA-N 405.794 3.391 5 40 HGBB COc1ccc2cc(CNC(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2c1 9942469 ZMUIZOFELKBNFH-UHFFFAOYSA-N 407.426 3.111 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 15787629 HWVRCSAUZWWKTP-UHFFFAOYSA-N 401.291 3.253 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCCN1CCCC1 32743571 SZJFDORRUCYBDT-UHFFFAOYSA-N 410.540 3.057 5 40 HGBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CC[C@@H](C)C2 845137 JPIBZFDZSSOTHC-SNVBAGLBSA-N 420.491 3.410 5 40 HGBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1 223023470 IVICGKPXEDNDCX-PMACEKPBSA-N 423.498 3.399 5 40 HGBB CCOC(=O)c1sc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)cc1C 3275391 BMYHNLWAIKKNAD-UHFFFAOYSA-N 423.472 3.277 5 40 HGBB O=C(Nc1cccc(Cl)c1)OCCCNS(=O)(=O)c1cccc([N+](=O)[O-])c1 4177593 NDRLMVUMBUIIBX-UHFFFAOYSA-N 413.839 3.165 5 40 HGBB CS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)ccc21 5375518 VQAFUZGKSZTZDN-UHFFFAOYSA-N 409.851 3.213 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 8475205 JAINSYHYUMBMNJ-IAGOWNOFSA-N 405.410 3.103 5 40 HGBB CCN(CC(=O)Nc1c(F)cccc1F)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12999497 POHDMFIXSFRXIP-UHFFFAOYSA-N 407.373 3.200 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1cccc(OC)c1)S(C)(=O)=O 220622285 MKRWNMDAOFWVEF-QGZVFWFLSA-N 421.475 3.095 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc2ncsc2c1 3478836 VJHXVYISFLRNPY-JTQLQIEISA-N 401.400 3.397 5 40 HGBB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1ccc([N+](=O)[O-])cc1 19468397 BBTMSBBTLHPSGK-JOCHJYFZSA-N 423.425 3.026 5 40 HGBB C[C@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 32927622 ASXXCVXXKUVFFX-LLVKDONJSA-N 410.402 3.422 5 40 HGBB O=[N+]([O-])c1cc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc([N+](=O)[O-])c1 71260596 SNAKOFXRCHUQOK-UHFFFAOYSA-N 403.424 3.045 5 40 HGBB CC[C@H](C(=O)N[C@@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222530689 RLOIHLNSPIPDDE-MAUKXSAKSA-N 419.503 3.325 5 40 HGBB CCOC(=O)CN(c1c(C)cccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224765874 LDPGRFZIUILYHZ-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cc1[N+](=O)[O-] 9255708 ZLOAOHMHKCSPEI-UHFFFAOYSA-N 404.366 3.443 5 40 HGBB CC(=O)Nc1cccc(-n2nnnc2Sc2ccc([N+](=O)[O-])c3cccnc23)c1 13009525 SZFWNOARMVFJGV-UHFFFAOYSA-N 407.415 3.228 5 40 HGBB O=[N+]([O-])c1ccc2c(c1)[C@H](N1CCN(CCO)CC1)Cc1ccc(F)cc1S2 31793475 SYZQQZSBHCAWAX-GOSISDBHSA-N 403.479 3.092 5 40 HGBB Cc1cc(C)n(-c2ccc(CNC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cn2)n1 48252012 OTKSJFAOBVKZEH-UHFFFAOYSA-N 420.473 3.323 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2cccc([N+](=O)[O-])c2)N3)C1 4525000 HVHZYNVSTYQVFG-HNNXBMFYSA-N 402.432 3.025 5 40 HGBB O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 4852556 UZUZWSQZFIGCNM-LIKPIUCQSA-N 411.417 3.496 5 40 HGBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc([N+](=O)[O-])c2)n2nnnc2N1 4878813 HTPKBIWMFRZZAE-GOSISDBHSA-N 405.418 3.126 5 40 HGBB C[C@]12CCC(=O)N1[C@@H](C(=O)OCc1cc(=O)oc3ccc4ccccc4c13)CS2 5876500 ASZKUMAYWMBWQH-ZHRRBRCNSA-N 409.463 3.443 5 40 HGBB NS(=O)(=O)c1ccc(Sc2nc3ccccc3n2C(F)F)c([N+](=O)[O-])c1 12506330 XXXNYAUHRDOGJJ-UHFFFAOYSA-N 400.388 3.138 5 40 HGBB COc1ccccc1-n1c(SCCN2CCOC2=O)nc2cc([N+](=O)[O-])ccc21 12535731 SOKIEKKXBLLDIO-UHFFFAOYSA-N 414.443 3.487 5 40 HGBB COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081538 RHCXWIQMCJVHTP-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB CCOC(=O)N[C@H](CC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1 409000794 FYPQEGYBCACOQM-QGZVFWFLSA-N 400.387 3.198 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cc(Cl)ccc2Cl)CC1 1561717443 BLTRFCKSOPMPBM-UHFFFAOYSA-N 416.286 3.413 5 40 HGBB Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-] 4392691 SLFIEVLROGDJHS-UHFFFAOYSA-N 410.455 3.324 5 40 HGBB C[C@@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCCO2 32777372 NFNLOACQULWNJM-LLVKDONJSA-N 415.427 3.477 5 40 HGBB CC(C)(CO)NCCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 36393666 JNNLXSSGDMYYSX-HXUWFJFHSA-N 410.474 3.023 5 40 HGBB O=C(N/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 3056186 AHGVMBNATNCRTK-RGEXLXHISA-N 424.413 3.286 5 40 HGBB COc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1OC 5270748 NMNJYLXCKNNXPZ-UHFFFAOYSA-N 409.398 3.074 5 40 HGBB Cc1c(NC(=O)CN(c2ccc(C(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 8330968 MZGGXZBMZPPELN-UHFFFAOYSA-N 405.476 3.431 5 40 HGBB Cc1ccc(C(=O)[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915415 TUHGGHNGNPMCAZ-IIDMSEBBSA-N 423.347 3.007 5 40 HGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1 10119891 LOURSBQLXAVKOS-UHFFFAOYSA-N 410.415 3.330 5 40 HGBB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 15881989 LBTMGCZHPWMVMK-SFHVURJKSA-N 418.402 3.272 5 40 HGBB COC(=O)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2C)c([N+](=O)[O-])c1 19353277 QEOQANABMZWKPE-UHFFFAOYSA-N 413.430 3.308 5 40 HGBB CCOc1ccc([C@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OCC 95534618 PTEHOCSAFANOHG-SFHVURJKSA-N 413.434 3.234 5 40 HGBB CCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100826549 CRZNLZCKOOTPIS-UHFFFAOYSA-N 422.510 3.070 5 40 HGBB Cc1cc(Cl)ccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220027199 OPWMOOYGEILGJR-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB Cc1c(N(CC(=O)Nc2ccccc2C(C)C)S(C)(=O)=O)cccc1[N+](=O)[O-] 220029718 STFJDIKETKOXAF-UHFFFAOYSA-N 405.476 3.431 5 40 HGBB COc1ccccc1-n1cnnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 2726196 DQGDJGNJRZNCGR-UHFFFAOYSA-N 400.416 3.343 5 40 HGBB Cc1ccc(C)n1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 8475729 SYOMHPHIMUCPAA-UHFFFAOYSA-N 404.382 3.198 5 40 HGBB COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)c1 23153070 KOQYRLDLDVIGHJ-IBGZPJMESA-N 416.430 3.110 5 40 HGBB CCCNC(=O)c1cc2ccc(OC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2oc1=O 1810970 YOXKRYGOOFPZKS-UHFFFAOYSA-N 410.382 3.369 5 40 HGBB O=C(CSc1ccc([N+](=O)[O-])cn1)Nc1ccc(N2CCOCC2)c(Cl)c1 4997959 TTYDJFHMQAGEAX-UHFFFAOYSA-N 408.867 3.211 5 40 HGBB C[C@H](OC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C(=O)N1CCc2ccccc2C1 5711815 KTOMIJZYOVGSAO-INIZCTEOSA-N 423.469 3.325 5 40 HGBB CCOc1ccc(CNc2c([N+](=O)[O-])nn(-c3ccc(Cl)cc3)[n+]2[O-])cc1OC 16692850 OOJHEGGNFDJENH-UHFFFAOYSA-N 419.825 3.087 5 40 HGBB O=C(COCc1nc2ccccc2s1)N1CCN(c2cccc([N+](=O)[O-])c2)CC1 48250504 ZMLXVKIZGLHFBH-UHFFFAOYSA-N 412.471 3.070 5 40 HGBB COc1ccc2nc(NC(=O)COC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)sc2c1 1436964 YUKBJLDBEOXWEE-RUDMXATFSA-N 413.411 3.408 5 40 HGBB O=[N+]([O-])c1cc2c(c(CSc3nnnn3-c3ccc(Cl)cc3)c1)OCOC2 3492861 SUQJENKRKPPTMD-UHFFFAOYSA-N 405.823 3.383 5 40 HGBB Cc1ccc(CCNc2c([N+](=O)[O-])nn(-c3cccc(C(F)(F)F)c3)[n+]2[O-])cc1 4927257 ZZFBUJKXCDZLNT-UHFFFAOYSA-N 407.352 3.396 5 40 HGBB CCCCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 6308690 IAIKTUIVJHGMKF-UHFFFAOYSA-N 405.476 3.097 5 40 HGBB COc1cc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c([N+](=O)[O-])c(OC)c1OC 9902721 RTUZKORXMXTOCR-UHFFFAOYSA-N 411.414 3.300 5 40 HGBB COC(=O)c1cc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cc([N+](=O)[O-])c1 12977237 RYGGWRHMYGHNIS-GOSISDBHSA-N 400.387 3.192 5 40 HGBB CN(C(=O)CN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 13039979 NJYMVJGXPZWKMB-UHFFFAOYSA-N 422.407 3.399 5 40 HGBB CNc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)cc1[N+](=O)[O-] 23054844 PREXKSAJSFDJON-UHFFFAOYSA-N 406.324 3.488 5 40 HGBB O=C(c1cn(-c2ccc(Br)cc2)nn1)N1CCc2ccc([N+](=O)[O-])cc21 25099271 ILVAPEIBJCXRTK-UHFFFAOYSA-N 414.219 3.141 5 40 HGBB C[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27374958 PQKRUKJVZASWQC-GDBMZVCRSA-N 422.441 3.261 5 40 HGBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)NCc3cccs3)cc2[N+](=O)[O-])C1 4835470 ULUAZAJDSBYTBO-CQSZACIVSA-N 417.487 3.366 5 40 HGBB Cc1cc(NC(=O)CN2CCN(C/C=C/c3ccccc3)CC2)c([N+](=O)[O-])cc1C 5950917 WUPMVQDZKZATLW-RMKNXTFCSA-N 408.502 3.481 5 40 HGBB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccccc1[N+](=O)[O-])c1cccc2ccccc12 10333750 WXWKYVUNHXRORZ-FQEVSTJZSA-N 406.442 3.106 5 40 HGBB O=[N+]([O-])c1ccc([C@H](O)[C@H](CO)Nc2nc(-c3cccnc3)nc3ccccc23)cc1 24982203 BFOJVJUPOVPBCJ-PMACEKPBSA-N 417.425 3.106 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 225061624 BXPIVISAPRSXND-UHFFFAOYSA-N 400.412 3.336 5 40 HGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(CC)cc3)CC2)c([N+](=O)[O-])c1 408576374 XQTSUTMSGHPZPS-UHFFFAOYSA-N 411.458 3.296 5 40 HGBB COc1ccc(C)cc1COc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 5315890 HBLWVSASCHGJLA-UHFFFAOYSA-N 406.460 3.275 5 40 HGBB C[C@@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccc(-n2cncn2)cc1 12528326 ARPSRFBTLBOKFY-MRXNPFEDSA-N 420.473 3.269 5 40 HGBB CCOC(=O)C1=C(C)N[C@H](c2cccc([N+](=O)[O-])c2)N[C@H]1c1cccc([N+](=O)[O-])c1 95115832 LYSZPSRFMMSDIP-OALUTQOASA-N 412.402 3.273 5 40 HGBB CC(C)(C)[C@@H]1CCCC[C@H]1CNC(=O)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 1563854181 NKGBIGYYDAHSCO-JCHJZTRSSA-N 407.511 3.141 5 40 HGBB COc1ccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cc(OC)ccc3OC)n2)cc1 9460890 NCMHBQWLBWOFDQ-UHFFFAOYSA-N 412.406 3.480 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 715325 FTUGWUVRHVMBRW-HXUWFJFHSA-N 415.405 3.441 5 40 HGBB CC1CCN(c2ccc(C(=O)O[C@@H](C)C(=O)NC3CCCC3)cc2[N+](=O)[O-])CC1 4835441 FHQBTAIXOZSGMA-HNNXBMFYSA-N 403.479 3.435 5 40 HGBB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)c1cccc([N+](=O)[O-])c1 6085635 HHBQEJQURSOLSU-UHFFFAOYSA-N 403.460 3.412 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@H]1COc2ccccc2O1 9540632 BFPJVFGWDARLPN-JTQLQIEISA-N 418.349 3.140 5 40 HGBB COc1ccc2cc(CNC(=O)[C@@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1 11122875 YUCGSLBBYSHELN-CQSZACIVSA-N 407.426 3.191 5 40 HGBB Cc1ccc([C@@H](CC(=O)OC(C)C)Nc2nc3ccccn3c(=O)c2[N+](=O)[O-])cc1 72313837 UVJWEMYYSNCBJB-MRXNPFEDSA-N 410.430 3.406 5 40 HGBB O=C(O)CSc1nc2ccc(N3C(=O)c4ccc([N+](=O)[O-])cc4C3=O)cc2s1 408751297 YWVQETFZMODMIW-UHFFFAOYSA-N 415.408 3.182 5 40 HGBB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9356549 DNSPMTAQIVUFJG-UHFFFAOYSA-N 419.850 3.342 5 40 HGBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O 11565650 HUKZJIBSBGWYDY-UHFFFAOYSA-N 412.185 3.370 5 40 HGBB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3cc(Cl)c([N+](=O)[O-])cc3c2=O)c1C 24991273 IGTDGOPOETYFHU-AWEZNQCLSA-N 417.849 3.323 5 40 HGBB CC(=O)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)c1 32666534 SHJSNCACCGTBFN-UHFFFAOYSA-N 405.432 3.130 5 40 HGBB O=C(O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225025387 WZBNFORTBQUSFQ-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1ccc(O)c([N+](=O)[O-])c1 409163969 ALQJQQPTEUZYHG-UHFFFAOYSA-N 402.388 3.037 5 40 HGBB CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 7759118 ODPSXGBSWVZEDR-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1ccc(F)c(Cl)c1 13060222 OEXUBFBSXKWYSV-UHFFFAOYSA-N 415.830 3.152 5 40 HGBB O=C(O)c1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c1 20153333 ZPYUKTZDHXSQFW-UHFFFAOYSA-N 414.443 3.020 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2cc(O)ccc2[N+](=O)[O-])C1=O)Nc1cccc(F)c1 409247620 DUGJOIGXDUIHNM-VIZOYTHASA-N 417.374 3.115 5 40 HGBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(F)cc1 3312508 IUTILVWUSCDHFX-KRWDZBQOSA-N 407.829 3.458 5 40 HGBB COc1ccc2cc(CCNC(=O)c3cc(Cl)ccc3[N+](=O)[O-])c(=O)[nH]c2c1 4225188 FDRHZRRUJLDSAY-UHFFFAOYSA-N 401.806 3.071 5 40 HGBB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 15263161 HIBVFZQEWDNZFV-XGICHPGQSA-N 417.171 3.431 5 40 HGBB CCOC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225073076 WZPJKAJVFDSNIP-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB O=C(NN1C(=O)c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2C1=O)c1ccccc1 1085673 DFIAZLAGRIWDNR-UHFFFAOYSA-N 403.350 3.328 5 40 HGBB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccccc1[N+](=O)[O-] 4510487 UIJZMXPXWNLKMC-MUUNZHRXSA-N 416.846 3.449 5 40 HGBB COc1ccc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(OC)c1 6549256 CUTYIXMMXSSKGH-UHFFFAOYSA-N 407.448 3.140 5 40 HGBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(OC(F)F)cc2)NC(=O)N1 9453594 MZHDHOHHTHHTRV-MRXNPFEDSA-N 418.356 3.463 5 40 HGBB COc1ccc(C2=NN(C(=O)c3cccc([N+](=O)[O-])c3)[C@](O)(C(F)(F)F)C2)cc1 32100977 HCOAMZJPGMMUEF-QGZVFWFLSA-N 409.320 3.105 5 40 HGBB CCCCn1c(=N)c(S(=O)(=O)c2ccc(C)cc2)cc2c(=O)n3ccccc3nc21 100707509 PPQNQANMLFTXEF-UHFFFAOYSA-N 422.510 3.070 5 40 HGBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCOC)cnc32)cc1 2310617 IDLXDTGWEVDZMY-UHFFFAOYSA-N 415.453 3.329 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc2c(=O)n3cccc(C)c3nc2s1 4605130 JTWLKGVIUMYCPC-UHFFFAOYSA-N 410.411 3.387 5 40 HGBB NC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 13096274 PWHGHGUZRJSVNN-UHFFFAOYSA-N 419.459 3.051 5 40 HGBB Cc1nc2ccccc2c(=O)n1NC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 15993914 GSAFBCAXGIBMOC-UHFFFAOYSA-N 421.457 3.233 5 40 HGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684447 NIEYKXFSLDKLSN-VQTJNVASSA-N 419.437 3.494 5 40 HGBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 409094976 GWKAMLLJKGKVBL-CXUHLZMHSA-N 414.805 3.088 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1c1ncccn1 2345539 UOTUEXQDXPPBOA-KRWDZBQOSA-N 400.350 3.241 5 40 HGBB O=C(Nc1ccc(Br)cc1)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 7927938 FLNMZOAPRJJEMU-NSHDSACASA-N 404.220 3.349 5 40 HGBB O=C(O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Cl 20142872 OXCJMBSYVJEAPK-UHFFFAOYSA-N 405.794 3.035 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Sc2nnc(-c3ccco3)o2)c([N+](=O)[O-])c1 24071220 LYLFMAUESVRXTH-UHFFFAOYSA-N 424.460 3.420 5 40 HGBB CS(=O)(=O)c1ccc(NCCCNc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])c1 32911769 CGCHPQUIEMFZOW-UHFFFAOYSA-N 418.397 3.326 5 40 HGBB Cc1cccc([N+](=O)[O-])c1NC(=O)CSc1nnc(-c2ccc3c(c2)OCO3)o1 9439496 OGMTXRCPKXOONP-UHFFFAOYSA-N 414.399 3.413 5 40 HGBB CCOC(=O)c1sc2ncnc(NC[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C 15207189 QVQISZVWAQDMDV-ZDUSSCGKSA-N 402.432 3.230 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17091011 XEKXQFCCYBRPQH-UHFFFAOYSA-N 417.377 3.413 5 40 HGBB CC[C@H]1[C@@H]2C[C@@H]3[C@@H]4N(C)c5ccccc5[C@@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 100744753 KIPHTHYSVQAMJV-LRLGQEPMSA-N 417.573 3.270 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 223596894 MJCWMDQBFIRYQA-UHFFFAOYSA-N 422.850 3.427 5 40 HGBB COc1ccc(-c2ccc(C(=O)O)o2)c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 226353815 JVQGTGUYYSWMKS-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccncc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 9191018 AFCTZKYPTZBVGN-VAMGGRTRSA-N 416.393 3.041 5 40 HGBB Cc1nc2ccc(I)cc2c(=O)n1-c1cccc([N+](=O)[O-])c1 777926 ZJLARVLLPCRXRZ-UHFFFAOYSA-N 407.167 3.207 5 40 HGBB O=C(c1cc2ccccc2oc1=O)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 4064194 OUTNIHUZYPQOAV-UHFFFAOYSA-N 413.817 3.317 5 40 HGBB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2cc(Cl)ccc2[N+](=O)[O-])co1 9712932 BGVXVVLIZOXVJD-UHFFFAOYSA-N 421.818 3.446 5 40 HGBB C[C@H](OC(=O)[C@H]1Oc2ccccc2O[C@H]1C)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 10956042 HAYYEEQTTHSUAD-PRXAMGSTSA-N 411.370 3.478 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713693 PZWDCWMDKIXHEG-QGZVFWFLSA-N 405.476 3.395 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 14019296 WOMZZBYPEXGGPR-CYBMUJFWSA-N 423.878 3.288 5 40 HGBB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1ccc([N+](=O)[O-])cc1Cl 23106282 AXQCTTVJJKVDGO-GOSISDBHSA-N 407.829 3.191 5 40 HGBB COc1ccc(C(=O)Nc2ncc(I)cc2C)cc1[N+](=O)[O-] 32125120 JAVJRQJHZOCSOP-UHFFFAOYSA-N 413.171 3.164 5 40 HGBB CN(Cc1nc(-c2ccc([N+](=O)[O-])cc2)no1)Cc1ccccc1N1CCOCC1 47406694 VDXAZCFTFZMQFU-UHFFFAOYSA-N 409.446 3.113 5 40 HGBB CCOC(=O)CN(C)[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 60329984 HHLJYVGORFNMIJ-GOSISDBHSA-N 405.838 3.423 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 138967882 WCRUBDGPOXDMJO-KDURUIRLSA-N 407.426 3.327 5 40 HGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1C(C)C)S(C)(=O)=O 409409840 JHHBDAXBBTXPNA-UHFFFAOYSA-N 421.475 3.132 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(I)cc([N+](=O)[O-])c1 4015647 ZOHQGXUKLYYUSF-UHFFFAOYSA-N 413.127 3.360 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C(=O)c2ccc(C)cc2)CC1 4966690 ABLYQUJKKCUMHZ-UHFFFAOYSA-N 411.458 3.445 5 40 HGBB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 6906374 CZAQUOKUZAEYNN-KPKJPENVSA-N 410.426 3.405 5 40 HGBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2cccc([N+](=O)[O-])c2)cc1 8433615 AXEKXHLLOMTPMM-UHFFFAOYSA-N 400.387 3.203 5 40 HGBB O=C(Cc1cccc(F)c1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 8754185 NLFPEZHPZSKLEZ-UHFFFAOYSA-N 421.431 3.204 5 40 HGBB COc1ccc(NC(=O)c2ccccc2NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cc1 9487255 SJYVUYJNKDWDFM-UHFFFAOYSA-N 423.429 3.308 5 40 HGBB Cc1c(Cl)cnc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])c1Cl 12623320 NGLHXPLOQOPTIL-UHFFFAOYSA-N 414.201 3.166 5 40 HGBB CN1CCc2nc(NC(=O)Cn3c4ccccc4c(=O)c4ccccc43)sc2C1 12786856 KCOXDDLFNZCOGF-UHFFFAOYSA-N 404.495 3.238 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 16088204 FKINAAOLCPIWRV-UHFFFAOYSA-N 409.895 3.063 5 40 HGBB CC[C@H](C(=O)NCc1cccc(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222541844 ILHALPSOQJFFOB-GOSISDBHSA-N 419.503 3.073 5 40 HGBB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 408610612 QPSNFDDDBQIDRO-LJQANCHMSA-N 411.458 3.267 5 40 HGBB CCOc1cc([N+](=O)[O-])ccc1NC(=S)NC(=O)c1ccc(OC)c(OC)c1 4310114 ZNALYCCTKWWAHP-UHFFFAOYSA-N 405.432 3.138 5 40 HGBB Cc1cnc([N+](=O)[O-])n1CCOC(=S)NC(=O)c1ccc(Cl)cc1Cl 5612859 IGLVDRGTDOAVOE-UHFFFAOYSA-N 403.247 3.138 5 40 HGBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(Cn3nnc(-c4ccccc4)n3)nc12 13643646 LIMHFZIEISCWKY-UHFFFAOYSA-N 413.470 3.206 5 40 HGBB O=C(Oc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1ccccc1Cl 33375222 ISUQRIKWSHTCSL-JXMROGBWSA-N 413.773 3.427 5 40 HGBB COc1ccc(-c2noc(CNC(=O)c3cc([N+](=O)[O-])ccc3Cl)n2)c(OC)c1 218126516 GLMWSVSVQPVSCF-UHFFFAOYSA-N 418.793 3.245 5 40 HGBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc([N+](=O)[O-])cc2)N2C(=O)CCCC2=O)cc1 408656514 STMCXCMBEAHWEY-HNNXBMFYSA-N 423.425 3.071 5 40 HGBB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 3187908 IWPCLJIPNDKHFL-SFHVURJKSA-N 420.425 3.347 5 40 HGBB COc1ccc(Cc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])o2)cc1 5788817 UZLVFUUAXVCIBF-UHFFFAOYSA-N 400.416 3.308 5 40 HGBB C[C@@H](C(=O)Nc1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57470811 SMTAWUNBEYIRQM-HNNXBMFYSA-N 423.448 3.431 5 40 HGBB CNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222400075 JXJIYNFXQMLPDY-INIZCTEOSA-N 415.515 3.300 5 40 HGBB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)cc1 408609113 OBWINDCNMBXZHX-FQEVSTJZSA-N 411.458 3.267 5 40 HGBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccccc1[N+](=O)[O-] 409156258 NHXICNFRADTBNO-UHFFFAOYSA-N 401.360 3.284 5 40 HGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)N[C@H](C(=O)O)c1ccccc1 4074119 UGRBVRAEKIZNLZ-NRFANRHFSA-N 403.390 3.267 5 40 HGBB biogenic Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)NCc1ccco1 7363468 DQDVSKMKHWRVDJ-UHFFFAOYSA-N 415.427 3.227 5 40 HGBB CCOc1ccc(C[C@@H](CNC(=O)c2cc([N+](=O)[O-])c(C)s2)C(=O)OC)cc1 58085774 QPJRMIUPYZJKMA-AWEZNQCLSA-N 406.460 3.125 5 40 HGBB CCCCCCN(CCN1CCOCC1)Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 72308249 SOWBEASPDALRBI-UHFFFAOYSA-N 417.510 3.359 5 40 HGBB CCc1cc(N(CCC(=O)OC)C[C@H]2CCCO2)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282887 VLDMEBZHJYVEDH-GOSISDBHSA-N 414.462 3.163 5 40 HGBB CC(C)Oc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 220413020 NXUCALKCBWFGFH-CQSZACIVSA-N 421.475 3.175 5 40 HGBB COCCn1c(-c2ccc(Cl)cc2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2196488 IGJVXOAOGWPRDU-UHFFFAOYSA-N 412.829 3.478 5 40 HGBB Cc1cccc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)c1[N+](=O)[O-] 10760852 CPSUNLXNMHHEOZ-UHFFFAOYSA-N 423.516 3.069 5 40 HGBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCCc3ccc(O)cc3)c([N+](=O)[O-])c2)C1 40155561 USJHODMQJQIAPL-HNNXBMFYSA-N 419.503 3.376 5 40 HGBB CCOc1ccc([C@@H](N)c2n[nH]c(COc3cccc([N+](=O)[O-])c3)n2)cc1OCC 95534583 YJMCKFSVJRJQGD-LJQANCHMSA-N 413.434 3.137 5 40 HGBB O=[N+]([O-])c1ccc(COc2cccc(/C=C\c3nc(O)c([N+](=O)[O-])c(O)n3)c2)cc1 409352980 ZVKIUSOBSCIELC-TWGQIWQCSA-N 410.342 3.454 5 40 HGBB O=C(CSc1nccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccc2c(c1)OCCO2 2468344 SUDKSDSXNADDFO-UHFFFAOYSA-N 412.427 3.283 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2cccc([N+](=O)[O-])c2)N3)C1 4525002 HVHZYNVSTYQVFG-OAHLLOKOSA-N 402.432 3.025 5 40 HGBB COc1ccccc1-c1cc(COC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)on1 26268891 JINZBFWIMDCNBK-UHFFFAOYSA-N 412.354 3.387 5 40 HGBB Cc1c(NC(=O)CCCN(c2ccc(F)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 408705897 PVDBHCPCGZUHCG-UHFFFAOYSA-N 409.439 3.227 5 40 HGBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CCN(C(C)C)C2 4086908 WQBBZZYWRYZIOG-UHFFFAOYSA-N 407.448 3.445 5 40 HGBB CN(C)P1(N(C)C)=NC(NNc2ccc([N+](=O)[O-])cc2)=NC(c2ccccc2)=N1 12492696 HVGYLGCZBUUFOU-UHFFFAOYSA-N 414.410 3.397 5 40 HGBB CCOC(=O)C1=C(C)N(C)[C@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)S1 20442411 UGWFSBKIJJEKAD-QGZVFWFLSA-N 422.488 3.135 5 40 HGBB COc1ccc(CN2CCN(c3ccc([N+](=O)[O-])c4cccnc34)CC2)cc1OC 24864070 KNAMGPZQRHJVHR-UHFFFAOYSA-N 408.458 3.482 5 40 HGBB CCOc1cc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c([N+](=O)[O-])cc1OC 27416706 KKZAJKCVQZRQSG-IBGZPJMESA-N 410.430 3.255 5 40 HGBB O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(C[C@H]2CCOC2)CC1 79018945 BOALBZXMKKCWMT-QGZVFWFLSA-N 411.458 3.181 5 40 HGBB Cc1ccccc1N1C(=O)c2ccc(C(=O)Nc3ncc([N+](=O)[O-])s3)cc2C1=O 4826727 DIYOFYHZMQPDMJ-UHFFFAOYSA-N 408.395 3.413 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 8475089 BMOPIXBEPODRPS-RTBURBONSA-N 405.410 3.103 5 40 HGBB COc1cccc(Nc2nc(N)c([N+](=O)[O-])c(Nc3cc(OC)ccc3OC)n2)c1 9309445 RTPGOPRWPBVKIA-UHFFFAOYSA-N 412.406 3.480 5 40 HGBB CC(=O)c1ccc(N2CCN(Cc3cc([N+](=O)[O-])cc4c3OCOC4)CC2)c(F)c1 12562036 FGSFIIJORDAHRH-UHFFFAOYSA-N 415.421 3.125 5 40 HGBB COc1ccc(NC(=O)CSc2nnc(COc3ccccc3)[nH]2)c([N+](=O)[O-])c1 14152585 UTQAPHKTWUPKPL-UHFFFAOYSA-N 415.431 3.031 5 40 HGBB Cn1c(CN2CCN(C(=O)c3ccccc3Cl)CC2)nc2cc([N+](=O)[O-])ccc21 20518067 HLCSZOSNTFNJOY-UHFFFAOYSA-N 413.865 3.093 5 40 HGBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)NCCOc1cccc(Cl)c1 40113652 QYHQBGLKTMYKNK-UHFFFAOYSA-N 419.821 3.132 5 40 HGBB CC(C)Cc1nc(N)sc1C(=O)OCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 79105189 AUHGMKBVTBCERH-UHFFFAOYSA-N 412.855 3.281 5 40 HGBB Cc1c(NC(=O)CCN2CCC[C@H](c3nnc4ccccn34)C2)cccc1[N+](=O)[O-] 84041661 HPGGSPIVNDUCAM-INIZCTEOSA-N 408.462 3.154 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C 1622831242 KZGNOPTXRGHYQJ-GJZGRUSLSA-N 408.455 3.417 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc([N+](=O)[O-])c1 20611548 GELQWSJLTPMLSX-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB C[C@@H](CNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 101455709 NVXHZMNTASVJHT-VIFPVBQESA-N 406.311 3.232 5 40 HGBB O=C(CCCOC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccc(F)cc1 7973504 XYURDXUHPVKRLJ-UHFFFAOYSA-N 416.405 3.390 5 40 HGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2[N+](=O)[O-])CC1 12744321 FUTHPDLEONDVPY-INIZCTEOSA-N 410.474 3.063 5 40 HGBB COCCNc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] 18048779 JGWYLOPMMMOKQN-OAHLLOKOSA-N 409.446 3.330 5 40 HGBB O=C(Nc1c(Br)cc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1 103067355 CUTUJPVAKIGJKC-UHFFFAOYSA-N 411.124 3.426 5 40 HGBB O=C(c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-])N1CCCCCC1 408630430 UNAPQYAHZANVNM-UHFFFAOYSA-N 403.460 3.412 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC(=O)N(C2CCCCC2)C1 4557982 PTYGJPROXBOJRR-NSHDSACASA-N 410.268 3.477 5 40 HGBB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1cccc([N+](=O)[O-])c1 12859368 ZFVCAZUITJXSBX-OAHLLOKOSA-N 424.434 3.427 5 40 HGBB O=C(NC1CC1)c1cc([N+](=O)[O-])ccc1N1CCC(C(=O)NCc2ccccc2)CC1 32935587 NDFIJWDNPLQUDZ-UHFFFAOYSA-N 422.485 3.020 5 40 HGBB CC(C)C(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(Cl)(Cl)Cl 2702026 JSCDKWAIJWZBJI-LLVKDONJSA-N 400.602 3.350 5 40 HGBB O=C(CCn1cc(Cl)c([N+](=O)[O-])n1)Nc1ccn(Cc2ccc(Cl)cc2)n1 2732894 PDVXZOWNQPVMTQ-UHFFFAOYSA-N 409.233 3.372 5 40 HGBB CC(C)(C)NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 6322331 RXFRPEAOMJYLHN-UHFFFAOYSA-N 405.476 3.243 5 40 HGBB O=C(OCc1ncc(-c2ccccc2)o1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 7780589 VJVWIACAXXRXDY-UHFFFAOYSA-N 409.398 3.443 5 40 HGBB CN(c1ccc(I)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 55687190 PJFIMMHJKTXDSE-UHFFFAOYSA-N 418.212 3.025 5 40 HGBB O=C(Nc1cccc(NS(=O)(=O)c2ccc(F)cc2[N+](=O)[O-])c1)c1ccco1 12557126 GKJYLPMOPOCJIW-UHFFFAOYSA-N 405.363 3.380 5 40 HGBB CN(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1ccc([N+](=O)[O-])c2cnccc12 15168912 KGCBIDNRZSKJDC-UHFFFAOYSA-N 421.457 3.055 5 40 HGBB O=C(CCn1cnc([N+](=O)[O-])c1-c1ccc(F)cc1)NC(=O)NCc1ccccc1 24978579 YJERANRLOSQBHT-UHFFFAOYSA-N 411.393 3.014 5 40 HGBB COc1ccc([N+](=O)[O-])cc1N(CC(=O)O)S(=O)(=O)c1ccc2ccccc2c1 225060159 DSSZGHAHZQJDBW-UHFFFAOYSA-N 416.411 3.037 5 40 HGBB CCC[C@@H](C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 6945255 CSIBYGWHPBGNFX-OAHLLOKOSA-N 405.476 3.095 5 40 HGBB COC(=O)c1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1N1CCOCC1 9906132 ZZPDJXNKOGGHMQ-UHFFFAOYSA-N 419.821 3.124 5 40 HGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)C[C@@H](C)N2S(C)(=O)=O 13002485 CLVBNUFSWCIQMX-KGLIPLIRSA-N 417.487 3.139 5 40 HGBB Cc1ccc(S(=O)(=O)CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 15881840 QHKXFUOTEXWFAG-UHFFFAOYSA-N 417.468 3.439 5 40 HGBB O=C(c1cccc(OC[C@H]2CCCO2)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 26367100 IDKBNLLFCVZMFQ-OAQYLSRUSA-N 411.458 3.115 5 40 HGBB O=C(O)c1ccc(N2CCN(CCOc3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 88613816 ZCQMJNOKCWBKMN-UHFFFAOYSA-N 405.838 3.147 5 40 HGBB in-vitro O=[N+]([O-])c1cccc([C@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)c1 111999920 QRIMKXQWDKUNGL-INIZCTEOSA-N 422.792 3.092 5 40 HGBB CCOc1cc(CNc2cccc([N+](=O)[O-])c2)cc(Br)c1OCC(N)=O 408555665 GZTLTBCFYXYKPT-UHFFFAOYSA-N 424.251 3.232 5 40 HGBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1)c1cccc([N+](=O)[O-])c1 7881600 BAIMNVWUMOTYOH-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB O=C(C1CCN(Cc2nc(-c3cccc([N+](=O)[O-])c3)no2)CC1)N1CCCCCC1 40086042 IBMMWLOORYTOEJ-UHFFFAOYSA-N 413.478 3.259 5 40 HGBB COc1cc(NC(=O)CSc2nc(C)cc(C(F)(F)F)n2)ccc1[N+](=O)[O-] 408554886 VFZHSJSCYJSPDT-UHFFFAOYSA-N 402.354 3.451 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1C)S(C)(=O)=O 409311347 FLYJACRTLZZCGY-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CCCCOc1ccc(-c2nnn(CC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2)cc1 4973940 VNZJECOFVJGVDI-UHFFFAOYSA-N 410.434 3.374 5 40 HGBB Cc1cc(NC(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)no1 5710816 FRSSXARGVSHETQ-UHFFFAOYSA-N 402.407 3.067 5 40 HGBB CCCc1cc(=O)nc(-n2nc(C)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[nH]1 7420305 PVEUZMVDZFOFSJ-UHFFFAOYSA-N 416.825 3.030 5 40 HGBB COc1ccc(NC(=O)COC(=O)CCC(=O)c2cc(C)sc2C)c([N+](=O)[O-])c1 9842235 FGFWIDHSFQOQBK-UHFFFAOYSA-N 420.443 3.427 5 40 HGBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1nnc2ccccn12 31503472 BXOQHMYNNKSDKU-LJQANCHMSA-N 420.473 3.218 5 40 HGBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccc([N+](=O)[O-])c3O)C2=O)c1 408931522 MRXBNKOCPZSXSG-DHDCSXOGSA-N 413.411 3.284 5 40 HGBB CCOC(=O)c1cccc(-c2ccc(/C=C/c3nn4cnnc4c(O)c3[N+](=O)[O-])o2)c1 9235168 OLANRHMBAWOWCE-SOFGYWHQSA-N 421.369 3.345 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(C)c1)S(C)(=O)=O 220509238 GVRJWGRLDPVHHZ-GOSISDBHSA-N 405.476 3.395 5 40 HGBB COc1ccccc1NC(=O)CCCCCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1807621 UNFJXHWSIIOXGW-UHFFFAOYSA-N 411.414 3.399 5 40 HGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(OC(F)(F)F)cc2)cc1[N+](=O)[O-] 3442365 XBZZCQNSOKAKTG-UHFFFAOYSA-N 414.292 3.298 5 40 HGBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)NCc3ccco3)cc2[N+](=O)[O-])C1 4879030 GYYDJXDSKIAUJA-GJZGRUSLSA-N 415.446 3.143 5 40 HGBB O=[N+]([O-])c1ccc(-c2nc3nc4ccccc4nc3n2CCCN2CCOCC2)cc1 19891166 KTGLQRNFKLVNTO-UHFFFAOYSA-N 418.457 3.277 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 32818693 FXRAELPJHYJNAS-UHFFFAOYSA-N 407.348 3.212 5 40 HGBB C[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3s2)CC1 32819585 VLHWHMYYJSFMSE-AWEZNQCLSA-N 411.487 3.354 5 40 HGBB O=C1CC[C@]2(C(=O)NCc3ccc([N+](=O)[O-])cc3)Sc3ccc(Cl)cc3N12 63827056 FRYJGVNQDXFXQW-GOSISDBHSA-N 403.847 3.493 5 40 HGBB CCc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 218245183 QGJNEXHZAQQEEH-UHFFFAOYSA-N 411.867 3.215 5 40 HGBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])ccc3O)C2=O)c1 408933198 IIPSIMASBGVFNO-SXGWCWSVSA-N 413.411 3.284 5 40 HGBB CC(=O)c1ccc(N2CCCN(S(=O)(=O)c3ccc(C)cc3)CC2)c([N+](=O)[O-])c1 12522647 GVJPAGMONZBFEY-UHFFFAOYSA-N 417.487 3.007 5 40 HGBB CNS(=O)(=O)c1ccc(Nc2ccc(NC(=O)CC(C)C)cc2)c([N+](=O)[O-])c1 23055434 XELCNUCXLHKOSD-UHFFFAOYSA-N 406.464 3.231 5 40 HGBB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@@H]1c1cccc([N+](=O)[O-])c1 4036115 GRXWQEZIUSXKRF-GOSISDBHSA-N 416.459 3.054 5 40 HGBB CCOc1ccc(C(=O)N[C@H](C(=O)OCc2ccc([N+](=O)[O-])cc2)C(C)C)cc1 7482614 IJDWDVAUFNQFTR-IBGZPJMESA-N 400.431 3.491 5 40 HGBB Cc1cc(Br)ccc1NC(=O)CNC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 12814124 RSPVWYGANKPOKW-RUDMXATFSA-N 418.247 3.434 5 40 HGBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(F)c1 16399102 CPMVATSLDQRTBK-UHFFFAOYSA-N 422.869 3.224 5 40 HGBB CC1(C)CC(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])CC(C)(C)N1 22357232 SKMYSZWSMNPMQM-UHFFFAOYSA-N 410.540 3.100 5 40 HGBB COCc1c(C(=O)NCCc2cc(OC)c(OC)cc2[N+](=O)[O-])oc2ccccc12 24500407 GFDQFASONVMOPS-UHFFFAOYSA-N 414.414 3.477 5 40 HGBB CCOc1ccc(NC(=O)[C@H](CC)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222515317 MKVDEQYKECEJQD-SFHVURJKSA-N 421.475 3.177 5 40 HGBB CCn1c(=O)oc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)c(Cl)cc21 223366350 GIESTBCIUPSVPV-UHFFFAOYSA-N 411.823 3.285 5 40 HGBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 4878943 HKLCLBLWYOJNAK-SFHVURJKSA-N 405.418 3.126 5 40 HGBB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 5373487 VXITVLBTOMQXSU-UHFFFAOYSA-N 415.427 3.261 5 40 HGBB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccc(F)c([N+](=O)[O-])c1 9254789 PUIVCCYRICFQTM-ZZXKWVIFSA-N 413.155 3.285 5 40 HGBB Cc1cc(C)cc(OCCOC(=O)c2cc(N3CCOCC3)ccc2[N+](=O)[O-])c1 16319522 YUAZVULCJMVRRC-UHFFFAOYSA-N 400.431 3.284 5 40 HGBB CCN(Cc1cccc([N+](=O)[O-])c1)C(=O)c1ccc(S(=O)(=O)N2CCCCC2)o1 25984135 QJCPKCXQYMYRGH-UHFFFAOYSA-N 421.475 3.025 5 40 HGBB C[C@H](OC(=O)c1cccc(OC[C@@H]2CCCO2)c1)C(=O)Nc1cccc([N+](=O)[O-])c1 26442107 MUDJQPAOZSVRNS-LIRRHRJNSA-N 414.414 3.337 5 40 HGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 216405165 MEJKBAAOCMAYLL-LFYBBSHMSA-N 424.438 3.443 5 40 HGBB Nc1nc(NC[C@@H]2CCCO2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 4306261 LIMBUYREDZKLTH-KRWDZBQOSA-N 412.494 3.017 5 40 HGBB O=C(CCC(=O)N1CCN(c2cccc(Cl)c2)CC1)Nc1ccc([N+](=O)[O-])cc1 4678103 FFTSQMDXNGGWIE-UHFFFAOYSA-N 416.865 3.316 5 40 HGBB Cc1ccccc1OCC(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 17082387 HMYRFDWDSLHHKH-UHFFFAOYSA-N 402.457 3.405 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc(Cl)c(Cl)c1 225089184 UMRVPTZNYWZIRM-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408684566 NUCJFJPHBUIVCD-CALCHBBNSA-N 407.426 3.327 5 40 HGBB Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nc2sc3c(c2c1=O)CCC3 9509635 SYAXAFUMHCBAMG-UHFFFAOYSA-N 416.484 3.123 5 40 HGBB CCc1nnc2sc(-c3cccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)c3)nn12 57316892 ABKCMSZFJMIVGZ-UHFFFAOYSA-N 424.442 3.341 5 40 HGBB COc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc([N+](=O)[O-])c1O 106759647 QZPBFGZUNFYBJL-WJDWOHSUSA-N 416.411 3.424 5 40 HGBB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc2c(cc1[N+](=O)[O-])OCCO2 16102920 TXAISEJYBRXMIA-UHFFFAOYSA-N 411.458 3.282 5 40 HGBB CCc1c(C(=O)Nc2ccc(N3CCNC3=O)cc2)cnn1-c1ccc([N+](=O)[O-])cc1 40088912 ILGWEWREVZNOPD-UHFFFAOYSA-N 420.429 3.125 5 40 HGBB O=[N+]([O-])c1cc(-c2nnc(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc([N+](=O)[O-])c1 100555860 BOEYJQGQYLCUAH-UHFFFAOYSA-N 402.235 3.036 5 40 HGBB CC[C@@H](C(=O)Nc1cccc(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222514377 UAHNYKYIOCROSS-INIZCTEOSA-N 411.867 3.432 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2nc(-c3ccccc3Cl)no2)cc1[N+](=O)[O-] 223761947 CEZBQQUTUQSBER-UHFFFAOYSA-N 408.823 3.085 5 40 HGBB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224355411 NTQNWAAOAPVYGV-SFHVURJKSA-N 401.438 3.220 5 40 HGBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NC1CCCCC1 4714196 HWAUHDXGPGUKBP-UHFFFAOYSA-N 417.487 3.239 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 8416378 DGWUHTBAVHPBQG-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 223591028 VANJVXAPMRBPHC-UHFFFAOYSA-N 402.432 3.247 5 40 HGBB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c([N+](=O)[O-])cc1OC 409243483 WRXMIRCTQYNAKI-NTUHNPAUSA-N 403.778 3.363 5 40 HGBB CCOC(=O)[C@H](c1ccc([N+](=O)[O-])cc1)[C@H](C(=O)OCC)c1ccc([N+](=O)[O-])cc1 1871117 COXAROUYLKIQFD-QZTJIDSGSA-N 416.386 3.497 5 40 HGBB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 1898334 REMYJTVERZBCDJ-SIKLNZKXSA-N 418.453 3.171 5 40 HGBB biogenic Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCC(C)CC3)c(Cl)cc12 4708654 YCGHSJNHCBPRMQ-UHFFFAOYSA-N 405.907 3.230 5 40 HGBB O=C(CS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 15391529 SVZPASDTLPDFOY-UHFFFAOYSA-N 421.431 3.270 5 40 HGBB O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 78903668 LKUVAKRFLYILHX-OAHLLOKOSA-N 410.430 3.407 5 40 HGBB CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100826798 BHTYCAOUJRIUIW-OAHLLOKOSA-N 422.510 3.241 5 40 HGBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1[N+](=O)[O-] 1771524 LGHQGQPZYBTEES-UHFFFAOYSA-N 418.456 3.413 5 40 HGBB COc1ccc([N+](=O)[O-])cc1N[C@H]1CC(=O)N(c2ccccc2C(F)(F)F)C1=O 7777721 ODCSYSVNAZTDAB-ZDUSSCGKSA-N 409.320 3.366 5 40 HGBB O=C(O)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Cl)c([N+](=O)[O-])c2)C1=O 17877393 OLESTMQPEVKURT-CQSZACIVSA-N 406.803 3.371 5 40 HGBB O=C(Cn1cnc([N+](=O)[O-])n1)Nc1cc(Oc2cccc(Cl)c2)cc([N+](=O)[O-])c1 2308578 IRPNGLRNHQTDOH-UHFFFAOYSA-N 418.753 3.179 5 40 HGBB O=c1c2ccccc2sn1-c1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3207313 DFKOQYJABGJXJM-UHFFFAOYSA-N 419.465 3.250 5 40 HGBB Cc1cc(OCc2ccc(C(=O)N3N=CC[C@@]3(O)C(F)(F)F)o2)ccc1[N+](=O)[O-] 6922164 MZFHHWYWDYEXHK-MRXNPFEDSA-N 413.308 3.158 5 40 HGBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 8475189 QTRAOQPHDZTQCN-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB C[C@@H]1[C@@H](NC(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CCC[C@H]1C 104126996 ORJHMUOYWDPHAQ-VKJFTORMSA-N 403.479 3.293 5 40 HGBB COC(=O)C(=Cc1ccccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC 409088505 KDSCRNWTMPTZKJ-UHFFFAOYSA-N 402.315 3.025 5 40 HGBB COc1ccc(C(=O)N2N=C(C(F)(F)F)C[C@@]2(O)c2ccc([N+](=O)[O-])cc2)cc1 885722 FTOSQTZFSXYRBO-QGZVFWFLSA-N 409.320 3.213 5 40 HGBB CCOc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 4714864 FXYGRWNJAXDZQM-CQSZACIVSA-N 421.475 3.095 5 40 HGBB CCC[C@H]1Oc2ccccc2C(=O)N(CC(=O)c2ccc(OC)c([N+](=O)[O-])c2)C1=O 6662522 KBDAAPOHDXDAGM-LJQANCHMSA-N 412.398 3.016 5 40 HGBB O=[N+]([O-])c1cccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2)n2nnnc2N3)c1 10296495 HONDKQMBGADAML-MRXNPFEDSA-N 422.792 3.092 5 40 HGBB Cc1noc(C)c1COc1cccc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)c1 22061431 FCPNNZGGQKTNPX-FQEVSTJZSA-N 411.414 3.242 5 40 HGBB COc1ccc2c(c1)[C@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)CC(C)(C)O2 219827898 AUSMXRRUVBEDOR-MRXNPFEDSA-N 416.430 3.409 5 40 HGBB O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccccc2[N+](=O)[O-])CC1 408613157 XROLWQRVLKXUPR-SFHVURJKSA-N 415.421 3.098 5 40 HGBB Cc1cc(NC(=O)CN2CCc3cc4c(cc3C2)OCCCO4)c([N+](=O)[O-])cc1C 5347457 UPQBFZUXQZQQSD-UHFFFAOYSA-N 411.458 3.370 5 40 HGBB CC(C)c1ccc(COc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 6552358 DKDRBGGJHQSARC-UHFFFAOYSA-N 420.487 3.318 5 40 HGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 7388353 IEDXTZNGZDWGRA-UHFFFAOYSA-N 407.707 3.360 5 40 HGBB COc1cc(C(=O)NCC(=O)NC2CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 9882364 PLBHVFINVPXGCQ-UHFFFAOYSA-N 419.821 3.058 5 40 HGBB CC(C)C[C@@H](CNc1ccc(S(=O)(=O)NC(C)C)cc1[N+](=O)[O-])N1CCCC1 12562684 HVYZBZNUTJEKMI-INIZCTEOSA-N 412.556 3.204 5 40 HGBB O=C(N[C@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 19878825 VNGYNTWAZUQEHI-AWEZNQCLSA-N 403.653 3.206 5 40 HGBB O=c1oc2cc([N+](=O)[O-])ccc2n1Cc1cc2c(cc1Br)OCCO2 64306965 BTCVLXMUKMMVOF-UHFFFAOYSA-N 407.176 3.085 5 40 HGBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCC4)c(=N)n(C4CCCC4)c3nc12 100627872 OTOYPUZUQZCTOG-UHFFFAOYSA-N 405.502 3.225 5 40 HGBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccc(Cl)cc1 408663016 YBOYHXZYZZGZSW-JSGCOSHPSA-N 416.817 3.416 5 40 HGBB O=c1/c(=C/c2ccc(Br)c([N+](=O)[O-])c2)sc2nc3ccccc3n12 13575074 MVZFZQOAEKQMGT-ZSOIEALJSA-N 402.229 3.128 5 40 HGBB O=[N+]([O-])c1ccc(COc2ccccc2/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 409350240 RFKWTTKGYTZYKM-JXMROGBWSA-N 410.342 3.454 5 40 HGBB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C(=O)[C@@]31C 1879540 LOHVRMLRHFMMFP-OAQYLSRUSA-N 424.388 3.464 5 40 HGBB biogenic COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(F)cc2)cc1[N+](=O)[O-] 8433941 QDIPWVAZHRHARK-UHFFFAOYSA-N 418.377 3.277 5 40 HGBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1csc(-c2ccccc2)n1 12817120 TXUHENFJQGDTSW-UHFFFAOYSA-N 405.457 3.205 5 40 HGBB CCc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cc1 20410894 SOYFYHPDRDAIGR-UHFFFAOYSA-N 414.487 3.121 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220421249 XTVMSGXNYREHPP-HZPDHXFCSA-N 419.503 3.244 5 40 HGBB Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccco2)cc1 4519019 FNAWFMIJRGGFIP-IBGZPJMESA-N 414.439 3.441 5 40 HGBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 4687800 LCVQIGKRXCZMTG-COOUDCDJSA-N 415.427 3.373 5 40 HGBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])o2)sc2c1CC(C)(C)NC2(C)C 4275275 QIUQCVNDQHVRKP-UHFFFAOYSA-N 407.448 3.448 5 40 HGBB COc1ccc2c(COC(=O)c3cc(OC)c(OC)cc3[N+](=O)[O-])cc(=O)oc2c1 4581139 IWCQESMBWMRCTL-UHFFFAOYSA-N 415.354 3.084 5 40 HGBB C[C@@H](C(=O)Nc1cccc2ncccc12)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12537251 PMSNJCNOPYZIRD-INIZCTEOSA-N 405.458 3.292 5 40 HGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)C[C@H](C)N2S(C)(=O)=O 13002487 CLVBNUFSWCIQMX-KBPBESRZSA-N 417.487 3.139 5 40 HGBB Cc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 22375267 AHQCVBPIGWSOOT-INIZCTEOSA-N 419.503 3.163 5 40 HGBB COCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(NC(C)=O)ccc21 100873083 ORVSAXXWGVGUOC-ZPHPHTNESA-N 420.472 3.018 5 40 HGBB O=[N+]([O-])c1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)nnc(O)c3Nc3nnnn32)cc1 111999816 JBZHDAQSKYYRJM-MRXNPFEDSA-N 422.792 3.092 5 40 HGBB CCOCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cn1 225872515 SXVYUKHBOJXOGD-UHFFFAOYSA-N 415.446 3.092 5 40 HGBB CCOc1ccc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OCC 408566452 OFOLGAZSUXBJCX-GNSUPJDDSA-N 411.458 3.006 5 40 HGBB O=[N+]([O-])c1cnn(Cc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c1 2731151 QZOWVNKNSXOYCZ-UHFFFAOYSA-N 416.854 3.333 5 40 HGBB CC(C)CC(=O)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 4688240 GNVQOZFFEOEHSI-UHFFFAOYSA-N 404.345 3.217 5 40 HGBB CC[C@H](C)Nc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)NCc1ccco1 4985867 IWIGGUOKJIZMHZ-AWEZNQCLSA-N 405.458 3.285 5 40 HGBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccccc1 12597677 SPLXEKMLOPLBDN-FQEVSTJZSA-N 419.503 3.425 5 40 HGBB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([S@@](C)=O)cc1 89904917 GKUNXMVZNPPOBF-ZZDSUILFSA-N 402.881 3.025 5 40 HGBB O=C(CNC(=O)c1cccc([N+](=O)[O-])c1)OCC(=O)c1ccc(Cl)cc1Cl 6947126 SSWXMJMSFOPFPS-UHFFFAOYSA-N 411.197 3.058 5 40 HGBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 27374967 PQKRUKJVZASWQC-HOCLYGCPSA-N 422.441 3.261 5 40 HGBB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223023189 GXYRHYCGFPYGKZ-PMACEKPBSA-N 423.498 3.399 5 40 HGBB COc1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1-c1ccc(C(=O)O)o1 226353905 WZQWCSHBRZXMJQ-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)C1 4839897 QPTGQSPWMDEGRC-INIZCTEOSA-N 403.479 3.391 5 40 HGBB Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n(C[C@@H]2CCCO2)c1C 12535284 ISDXMVUTSPPOPT-AWEZNQCLSA-N 408.455 3.457 5 40 HGBB CC(C)C(=O)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)CC1 32719571 FMZCSVHMKFLDGY-UHFFFAOYSA-N 405.838 3.449 5 40 HGBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 37342264 JHPYOKPTYDOYLW-OVCLIPMQSA-N 401.356 3.445 5 40 HGBB Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 40155781 NQZGHKZHQSTAAT-HUUCEWRRSA-N 413.496 3.017 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])Nc1nc2ccc(N3CCOCC3)cc2s1 6423101 ZFJREQSFYNWUDU-UHFFFAOYSA-N 414.443 3.059 5 40 HGBB CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 7759108 WSZFGWAVOKDZHA-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB Cc1ccc(C(=O)NCCCNC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cn1 7871590 HPGSCNUCICXYEE-UHFFFAOYSA-N 408.414 3.108 5 40 HGBB COCCNc1cc(N2CCN(C(=O)c3ccccc3Cl)CC2)ccc1[N+](=O)[O-] 10231821 IHNNLSGTWPHTOM-UHFFFAOYSA-N 418.881 3.269 5 40 HGBB C[C@H]1Cc2cc(C(=O)N(C)[C@H](C)c3cccc([N+](=O)[O-])c3)ccc2N1S(C)(=O)=O 13002490 CLVBNUFSWCIQMX-UONOGXRCSA-N 417.487 3.139 5 40 HGBB CC(C)CC[C@H](C)NC(=O)[C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13005501 QDZNFGAETVXLHP-MAUKXSAKSA-N 411.524 3.079 5 40 HGBB Cc1oc(-c2ccccc2)nc1CC(=O)N1CCN(c2ccccc2[N+](=O)[O-])CC1 31295571 GPKZERMBXRHERD-UHFFFAOYSA-N 406.442 3.450 5 40 HGBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 36427638 OUEVNJFJTWRQDM-ICSRJNTNSA-N 414.458 3.333 5 40 HGBB Cc1nccn1-c1ccc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cn1 58441347 VOOMZZPRJMSLBL-UHFFFAOYSA-N 406.446 3.339 5 40 HGBB CC[C@@H](C(=O)Nc1ccc(C)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513202 OXHAMKKKDOOYCP-SFHVURJKSA-N 405.476 3.395 5 40 HGBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2Cl)CC1 408628841 DFNFCCJHYHPOSQ-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408684446 NIEYKXFSLDKLSN-PMACEKPBSA-N 419.437 3.494 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)c1ccc(Br)o1 5986303 JRCSWPHHJRARNR-UHFFFAOYSA-N 400.210 3.086 5 40 HGBB CS(=O)(=O)c1ccc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])c1 7981683 GEGLKUCWLKDPPD-HNNXBMFYSA-N 404.444 3.111 5 40 HGBB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 103559238 VKJQQNNZECEUED-ZFWWWQNUSA-N 406.181 3.194 5 40 HGBB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)CCSC2=N1 2502053 RMXYVUDDWAJAKZ-QGZVFWFLSA-N 403.460 3.444 5 40 HGBB O=C(COC(=O)c1ccc(Br)s1)Nc1cc([N+](=O)[O-])ccc1F 8757887 DZCFLAQCDGLGLR-UHFFFAOYSA-N 403.185 3.353 5 40 HGBB O=C(c1ccc(Cl)cc1)N1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1 12937875 AOXINOWPNPTRPH-UHFFFAOYSA-N 408.241 3.500 5 40 HGBB O=C(c1ccc(-n2ccnc2)cc1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 30686075 UUFDCAPIJXZYCK-UHFFFAOYSA-N 411.849 3.396 5 40 HGBB CCOC(=O)N1CCN(C(=O)c2ccc3[nH]c4nc5ccccc5nc4c3c2)CC1 38187161 TWHDKFKEJXCPMY-UHFFFAOYSA-N 403.442 3.179 5 40 HGBB CCN(C(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C1CN(C(=O)OC(C)(C)C)C1 89960939 OZCDUGWTNFLBOV-UHFFFAOYSA-N 418.494 3.276 5 40 HGBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 409178116 GKGYTSBTIZJPIW-RTBURBONSA-N 406.394 3.407 5 40 HGBB CC1(C)CC(NC(=O)c2cnn3c(-c4cccc([N+](=O)[O-])c4)ccnc23)CC(C)(C)N1 2798268 IQQJTTXQSPQKGF-UHFFFAOYSA-N 422.489 3.344 5 40 HGBB C[C@H](OC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)Nc1ccc2c(c1)OCCO2 3514112 GAGXBJICYCENQU-JTQLQIEISA-N 406.778 3.203 5 40 HGBB CCC[C@H](C)NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 6946721 GTSYVIGMSRQORR-HNNXBMFYSA-N 405.476 3.095 5 40 HGBB CC(=O)N1CCN(c2ccc(C(=O)N(C)[C@H](C)c3ccccc3)cc2[N+](=O)[O-])CC1 12801336 VBEOIYCQHMCGLF-MRXNPFEDSA-N 410.474 3.097 5 40 HGBB CC(C)OC(=O)C[C@H](NC(=O)c1cnc2ccccc2n1)c1ccccc1[N+](=O)[O-] 14378820 DATARECEXVQMSJ-KRWDZBQOSA-N 408.414 3.351 5 40 HGBB Cc1ccc(-n2ncc([C@@H](C)NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2C)cc1 32808841 QQCJPYXFNTYSIE-CQSZACIVSA-N 400.460 3.437 5 40 HGBB COc1ccc(Oc2cc(N3C(=O)[C@H]4[C@H](C3=O)[C@H]3CC[C@H]4O3)cc([N+](=O)[O-])c2)cc1 103149262 XNGUJDZEBTVAIX-NCXUSEDFSA-N 410.382 3.063 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 8475109 XKIZUHKKVZDWAF-RTBURBONSA-N 407.426 3.327 5 40 HGBB CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c([N+](=O)[O-])cc1OC 19473569 KZZLXTMOSIBJIZ-SNVBAGLBSA-N 423.809 3.235 5 40 HGBB Cc1cccc2nc(C(=O)O[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cn12 24903160 DWWAIWDPAPMQNF-LLVKDONJSA-N 402.794 3.388 5 40 HGBB CN(C)CCCn1ccc2nc3ccn(-c4ccc(Cl)cc4)c(=O)c3cc2c1=O 38829029 MTFVSUOZOVRJBG-UHFFFAOYSA-N 408.889 3.306 5 40 HGBB COc1cccc(OCCNC(=O)COc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1 59417127 DEJFHWGTZNXZSS-UHFFFAOYSA-N 414.336 3.196 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408687694 UTIPWBOGCOEREL-HOTGVXAUSA-N 423.400 3.243 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc([N+](=O)[O-])s2)N3)C1 8722317 TYTZJMJRGOMILW-CYBMUJFWSA-N 408.461 3.087 5 40 HGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1cccc(Br)c1 54531741 UARKPVYBZQLJEX-UHFFFAOYSA-N 419.279 3.118 5 40 HGBB Cc1cc(Br)c(NC(=O)[C@@H]2CC(=O)N(CC(F)(F)F)C2)cc1[N+](=O)[O-] 95941693 MCWZMDYQKVYYJF-MRVPVSSYSA-N 424.173 3.015 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)Nc1ccc(Cl)cc1)S(C)(=O)=O 220379876 LREWHNFMLWIICZ-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB COc1cc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])cc(OC)c1 7977957 DSCAZAZDXBFWBG-UHFFFAOYSA-N 407.448 3.140 5 40 HGBB COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2C)c([N+](=O)[O-])c1 13112325 QYTCMERMFAEABT-UHFFFAOYSA-N 403.420 3.031 5 40 HGBB COc1cc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1O 409348001 OETLZSQTVGVYAF-RQZCQDPDSA-N 414.395 3.228 5 40 HGBB COc1ccc(Oc2cc(N3C(=O)[C@@H]4[C@H]5CC[C@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 6844412 XNGUJDZEBTVAIX-QGFMHUBQSA-N 410.382 3.063 5 40 HGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 12765351 YPPBQVQRBIGIGD-ZDUSSCGKSA-N 414.853 3.460 5 40 HGBB O=C(c1cc([N+](=O)[O-])ccc1I)N1CCc2sccc2C1 33240557 QIZCOSGXGTXLQR-UHFFFAOYSA-N 414.224 3.459 5 40 HGBB Cc1nn(CC(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 48310453 MCGMEBJINHXDQE-HOTGVXAUSA-N 413.522 3.202 5 40 HGBB O=C1[C@H]2[C@@H](c3ccncc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 102736320 AFCTZKYPTZBVGN-XUVXKRRUSA-N 416.393 3.041 5 40 HGBB COc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 214279230 VFHDUVGFFPNFGU-OVCLIPMQSA-N 400.368 3.147 5 40 HGBB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])o2)cc1 3313109 GWWDOVAUHJTJNP-UHFFFAOYSA-N 417.399 3.250 5 40 HGBB CN1CCN(c2ccc(-c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)nn2)CC1 5259429 IZOSLKNOOFMTMF-UHFFFAOYSA-N 418.457 3.056 5 40 HGBB O=C1N/C(=C/c2cccc([N+](=O)[O-])c2O)C(=O)N1Cc1ccc(Br)cc1 111505575 SFCMUKCMSVAJHS-MDWZMJQESA-N 418.203 3.156 5 40 HGBB Cn1cnnc1Sc1ccc(C(=O)NCc2cccc(Cl)c2)cc1[N+](=O)[O-] 2651585 BJXFQRYLKNUZOM-UHFFFAOYSA-N 403.851 3.458 5 40 HGBB O=C(Nc1ccc(N2CCCCS2(=O)=O)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 4941986 LJPBWYZSXVSRBR-UHFFFAOYSA-N 409.851 3.431 5 40 HGBB CC(=O)NCc1ccc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9217974 RQESNWUFSNMXFW-UHFFFAOYSA-N 417.365 3.051 5 40 HGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)c1ccc2c(c1)CCCN2S(C)(=O)=O 12774819 FIUIGKYUVJXSJA-CQSZACIVSA-N 417.487 3.140 5 40 HGBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)c1 223628160 XVTFZSUAVXWYDZ-WOJBJXKFSA-N 423.498 3.135 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(COc2ccccc2)n1 408580177 AZKDXPUDFJTCEQ-UHFFFAOYSA-N 415.431 3.031 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 5149061 AWNCKJYGWHRAPA-KXBFYZLASA-N 406.394 3.425 5 40 HGBB Cc1cc(Cl)ccc1NC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 10337926 XXPOXGRQTRHOCC-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@H]1CCCO1 9376064 HBDAZADLUICDFO-HXUWFJFHSA-N 406.442 3.285 5 40 HGBB Cn1ccnc1[C@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1 12559558 BRGSVJAQNXWVNQ-QGZVFWFLSA-N 404.423 3.072 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(F)cc1 15049445 BNCZXOOXHXEGJL-DHDCSXOGSA-N 401.375 3.409 5 40 HGBB CC[C@H](C(=O)Nc1ccccc1OC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222533542 UAQHAHIUVREKTN-MRXNPFEDSA-N 421.475 3.095 5 40 HGBB COc1cccc(OC)c1C(=O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1830714 VQXKDMFPSLKITC-HNNXBMFYSA-N 414.478 3.388 5 40 HGBB biogenic O=C(COC(=O)c1cc(=O)c2ccccc2o1)Nc1ccc([N+](=O)[O-])cc1Cl 4979797 LWSPMGGVMGDKIN-UHFFFAOYSA-N 402.746 3.150 5 40 HGBB Cn1cnnc1Sc1ccc(C(=O)N2CCc3sccc3C2)cc1[N+](=O)[O-] 10885813 IZSWLDOFZMXRNT-UHFFFAOYSA-N 401.473 3.135 5 40 HGBB O=C(O)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1Cl 20142886 KKTFYUVKAXESAW-UHFFFAOYSA-N 405.794 3.035 5 40 HGBB O=C(OCc1ccc([N+](=O)[O-])cc1)C1CCN(C(=O)c2ccc(F)cc2F)CC1 22447483 CGJLWAFSJMGPQI-UHFFFAOYSA-N 404.369 3.469 5 40 HGBB CCOc1cccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220393778 OVXYERCWDVWZAY-CQSZACIVSA-N 421.475 3.095 5 40 HGBB CCOC(=O)CN(c1cccc(OCC)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224788167 RFEKXKCADSBBSF-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB COC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225071962 UZESVJHERYIENX-UHFFFAOYSA-N 406.460 3.395 5 40 HGBB CC(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 408628806 AVCHZXNOXUPLEG-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB COc1cccc2sc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc12 5446771 BOKUFRVNCBWFQQ-UHFFFAOYSA-N 414.443 3.302 5 40 HGBB COc1cccc(NC(=O)[C@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 5711969 FCAJLAHZPXKSCI-AWEZNQCLSA-N 413.430 3.388 5 40 HGBB CCC(CC)c1nnc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)s1 5864719 RENSNNKZEYHWSI-UHFFFAOYSA-N 405.480 3.439 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 9402795 APRVOXAWZNUROX-UHFFFAOYSA-N 421.409 3.436 5 40 HGBB COc1ccc2cc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(C)nc2c1 12561939 MUIVMLPFHBPGLL-UHFFFAOYSA-N 406.442 3.422 5 40 HGBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)Nc1ccncc1 12595391 ISPYBEFVBIDCDL-OAHLLOKOSA-N 408.867 3.133 5 40 HGBB Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c(C)c1 17089895 BDLKQXMXZOJCPA-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB O=C(c1ccccc1NS(=O)(=O)Cc1cccc([N+](=O)[O-])c1)N1CCCCC1 20483443 GMXLOZGKHKKQAW-UHFFFAOYSA-N 403.460 3.163 5 40 HGBB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406716 BOJNKIRHPJQZBS-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CC[C@@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513638 HXOIIKQXQWXQCJ-SFHVURJKSA-N 405.476 3.395 5 40 HGBB COc1ccc([C@H](O)C[C@@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1832914 BJWHKKNMUOMXBE-IAGOWNOFSA-N 416.494 3.238 5 40 HGBB biogenic O=c1oc2ccc([N+](=O)[O-])cc2cc1S(=O)(=O)c1ccc(Br)cc1 2499530 PTHIUJYUOJZLJW-UHFFFAOYSA-N 410.201 3.297 5 40 HGBB O=C(O)c1cccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)c1 3146423 QBZQMQFNHMJFRY-UHFFFAOYSA-N 416.345 3.325 5 40 HGBB C[C@@H]1CCc2sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C(N)=O)c2C1 9446328 SQBNSTJPULIBGK-MRVPVSSYSA-N 404.404 3.041 5 40 HGBB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1cccc([N+](=O)[O-])c1 12859363 ZFVCAZUITJXSBX-HNNXBMFYSA-N 424.434 3.427 5 40 HGBB Cc1ccc([C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2SCCO)N(C)C)cc1 95451488 YRQGPMWQXFPQBT-GOSISDBHSA-N 403.504 3.020 5 40 HGBB O=C1[C@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 103563664 HYFHXRTXODHYDI-ZFWWWQNUSA-N 406.181 3.194 5 40 HGBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCO)o1 223592055 SXMUFNMQYGUXPA-RTBURBONSA-N 410.455 3.215 5 40 HGBB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3cccc([N+](=O)[O-])c3)cc21 408534827 RKQDNJQGOVEUKR-UHFFFAOYSA-N 409.446 3.028 5 40 HGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408679971 FQELNGGOUIPYJL-YSGRDPCXSA-N 419.437 3.349 5 40 HGBB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccccc1[N+](=O)[O-] 2724990 UIJZMXPXWNLKMC-NDEPHWFRSA-N 416.846 3.449 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(F)cc3Cl)c2)cc1 2804745 MIEFEGQSRDWWKC-UHFFFAOYSA-N 410.814 3.433 5 40 HGBB CCc1ccc(-c2noc(CCC(=O)NCCNc3ccccc3[N+](=O)[O-])n2)cc1 12597080 CQHDPYDMJPHZNZ-UHFFFAOYSA-N 409.446 3.368 5 40 HGBB Nc1ccc(C(=O)N2Cc3cc4c(cc3C3(CCCC3)C2)OCCO4)cc1[N+](=O)[O-] 14419609 IDHWKDXXTQDNPV-UHFFFAOYSA-N 409.442 3.416 5 40 HGBB COc1ccccc1C[C@H](O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1317976 BZZSAOAUTFSBKG-ROUUACIJSA-N 400.495 3.100 5 40 HGBB biogenic O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 8143839 VXFCVFJCDFPLRQ-UHFFFAOYSA-N 411.336 3.227 5 40 HGBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(=O)n3c(nc2c1)CCC3 12904022 QVWPYMXFTYKCIC-UHFFFAOYSA-N 412.833 3.177 5 40 HGBB CCN(CC)C(=O)CSc1nnc2c3sc4nc(C)cc(C)c4c3ncn12 32105569 PSLBONFNUZGQAA-UHFFFAOYSA-N 400.533 3.465 5 40 HGBB O=C(CN1CCN(c2ccc(F)cc2)CC1)Nc1nc2ccc([N+](=O)[O-])cc2s1 32117938 NSCLMGNTRXXURB-UHFFFAOYSA-N 415.450 3.104 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccccc1F)S(C)(=O)=O 220596339 LJAHVNGWRUKZMC-HNNXBMFYSA-N 409.439 3.226 5 40 HGBB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 5197622 JVKVJMCPYNZMKZ-SECBINFHSA-N 401.297 3.402 5 40 HGBB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)C1=O 8946258 PIGJRXHNGDVLNY-OAQYLSRUSA-N 410.430 3.089 5 40 HGBB CN(C)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCO3 10065943 SEUJYQGXVCMFPY-UHFFFAOYSA-N 420.472 3.203 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)cc1[N+](=O)[O-] 12970417 GCLDFUPODDUWHH-UHFFFAOYSA-N 409.851 3.484 5 40 HGBB CCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408640161 HYGOYBDYCJXPIN-HNNXBMFYSA-N 411.414 3.072 5 40 HGBB COc1cc2nc(/C(Cl)=C/c3ccc(O)c([N+](=O)[O-])c3)[nH]c(=O)c2cc1OC 7502909 MIPIXOXXMBHIRF-WZUFQYTHSA-N 403.778 3.291 5 40 HGBB CSc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1[N+](=O)[O-] 10900243 GQPXPYDGVSMBEK-UHFFFAOYSA-N 401.488 3.426 5 40 HGBB COCCOc1cc([N+](=O)[O-])c(C(=O)N[C@@H]2CCCc3ccccc32)cc1OC 12773136 ZKVKGTXVVNIJDR-QGZVFWFLSA-N 400.431 3.436 5 40 HGBB NC(=O)C1CCN([C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)CC1 21131218 QPPKXTCTJJNMOO-GOSISDBHSA-N 416.865 3.125 5 40 HGBB CC(C)(C)OC[C@H](NC(=O)OC(C)(C)C)C(=S)n1nnc2ccc([N+](=O)[O-])cc21 75629726 BRJMISZMLFJMGN-ZDUSSCGKSA-N 423.495 3.223 5 40 HGBB CCn1c(=O)sc2cc(NC(=O)COc3ccc([N+](=O)[O-])c(OC)c3)ccc21 225113344 MCFZUTXUJGDEHC-UHFFFAOYSA-N 403.416 3.017 5 40 HGBB COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225564480 CMDQGAGQCDSWHX-UHFFFAOYSA-N 400.431 3.307 5 40 HGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)c([N+](=O)[O-])c1 408572088 GRLNLQUBYGLDNV-UHFFFAOYSA-N 423.425 3.480 5 40 HGBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc([N+](=O)[O-])s1 4417351 PTDRYBSRDNEZRV-UHFFFAOYSA-N 410.458 3.166 5 40 HGBB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1ccccc1[N+](=O)[O-] 9708139 MXOMDWXMJZDRHU-IBGZPJMESA-N 420.425 3.047 5 40 HGBB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 10902483 YPJCVTCZSKRFKA-UHFFFAOYSA-N 407.474 3.452 5 40 HGBB Cc1ccc([C@H](CN2CCOCC2)Nc2c([N+](=O)[O-])c(=O)oc3ccccc23)cc1 23990267 RHMRSQWOERZIQT-SFHVURJKSA-N 409.442 3.495 5 40 HGBB O=C(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225026898 QMEKUNVQOUGFHI-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB Cc1ccc(C2=N/C(=C/c3ccc(I)o3)C(=O)O2)cc1[N+](=O)[O-] 1435628 SBPDMHVNOMEGDS-YRNVUSSQSA-N 424.150 3.445 5 40 HGBB CCN(CC)CCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccc(C)cc1 2677396 DRKAHHPTQMQSDL-PGMHBOJBSA-N 424.501 3.132 5 40 HGBB CCN(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 7721485 XOLAQIATWSLKRA-UHFFFAOYSA-N 402.432 3.164 5 40 HGBB CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1ccc(NC2CC2)c([N+](=O)[O-])c1 7810932 UDGDPEPWNOZABQ-UHFFFAOYSA-N 407.430 3.068 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(OC(C)C)cc1)S(C)(=O)=O 22392871 BVQHPIJAOPTDMZ-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB CN(C)S(=O)(=O)c1ccc2oc(SCCOc3cccc([N+](=O)[O-])c3)nc2c1 40127372 KRJLTVNQIJTHBA-UHFFFAOYSA-N 423.472 3.157 5 40 HGBB CCOc1ccc(NC2=N[C@@H](c3cccc([N+](=O)[O-])c3)n3c(nc(C)cc3=O)N2)cc1 101981807 LLCMTFDYVCIJCC-LJQANCHMSA-N 420.429 3.299 5 40 HGBB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc21 408533162 OEGBPSKZNASYBU-UHFFFAOYSA-N 409.446 3.028 5 40 HGBB C[C@H](Sc1nnnn1-c1ccccc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 2620868 MIBBFDQCZUOBPA-JTQLQIEISA-N 404.839 3.343 5 40 HGBB CN(C)Cc1cccc(CNc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])c1 12545318 BXXNSKDDANVPSS-UHFFFAOYSA-N 420.535 3.345 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1ccccc1CN1CCCCC1 15360750 VJHVHUNPMRUULV-UHFFFAOYSA-N 403.504 3.368 5 40 HGBB COc1cc2ccccc2cc1C(=O)Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1 20154253 JDODCYNUIKVORB-UHFFFAOYSA-N 406.442 3.419 5 40 HGBB COCCn1/c(=N/C(=O)CCOc2ccccc2)sc2cc([N+](=O)[O-])ccc21 100872693 CWJSZLLFJZOSCF-VXPUYCOJSA-N 401.444 3.154 5 40 HGBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Oc2cccc3cccnc23)CC1=O 408667131 QFDSXLKNFZKSFU-CQSZACIVSA-N 407.382 3.110 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(C)cc1)S(C)(=O)=O 13713687 PSPLRYHHXKCTBK-SFHVURJKSA-N 405.476 3.395 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1[N+](=O)[O-] 17320484 UOTVIJHXDWDUBN-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB COc1ccc(OC)c(CNS(=O)(=O)c2cc(Cl)c(C)c([N+](=O)[O-])c2)c1 24452674 LBLXNZUIVDTAEY-UHFFFAOYSA-N 400.840 3.052 5 40 HGBB CCOC(=O)c1ccnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c1[N+](=O)[O-] 97212565 SLRFDEPOQDJBEV-CYBMUJFWSA-N 408.455 3.002 5 40 HGBB CCn1c(=O)sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 225695326 ZFVBTVACUORONI-UHFFFAOYSA-N 413.864 3.445 5 40 HGBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 408629101 ZGROLSPDVXXSGF-UHFFFAOYSA-N 400.460 3.330 5 40 HGBB CC(C)(C)NS(=O)(=O)c1ccc(NCCCN2CCCCCC2)c([N+](=O)[O-])c1 12528129 HSPPLRVHJXSXRD-UHFFFAOYSA-N 412.556 3.350 5 40 HGBB O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc([N+](=O)[O-])cc2N2CCOC2=O)C1 78903671 LKUVAKRFLYILHX-HNNXBMFYSA-N 410.430 3.407 5 40 HGBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCO)cc1 223628447 DGBKIUYOSLNIID-UXHICEINSA-N 423.498 3.135 5 40 HGBB COC(=O)c1cc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cc([N+](=O)[O-])c1 12546005 IVNPYUIJFOKESR-UHFFFAOYSA-N 406.398 3.187 5 40 HGBB Cc1cccc(C)c1N1CCN(CC[C@@H]2Oc3cc([N+](=O)[O-])ccc3NC2=O)CC1 52525215 OKCKWRUPHWZSTL-IBGZPJMESA-N 410.474 3.123 5 40 HGBB COc1cccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n(CC(C)C)c2=N)c1 100707549 CIXAORRPRKEAMY-UHFFFAOYSA-N 417.469 3.046 5 40 HGBB COc1cc(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c([N+](=O)[O-])cc1OC 102010646 YZUXCSSQAPTUFA-ASSNKEHSSA-N 420.462 3.196 5 40 HGBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NO[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 103563660 HYFHXRTXODHYDI-DZGCQCFKSA-N 406.181 3.194 5 40 HGBB CSc1cccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220387185 VXWYIHVNVQTYFV-ZDUSSCGKSA-N 423.516 3.418 5 40 HGBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cccc([N+](=O)[O-])c1 4903226 OGKSQQCKLSQDHV-UHFFFAOYSA-N 415.446 3.481 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C[C@H]1CCCO1 5253154 WPHMIGQURFEFIM-DNVCBOLYSA-N 406.394 3.425 5 40 HGBB CCCCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 6597049 AMYOZXKGBMRQLF-UHFFFAOYSA-N 405.476 3.097 5 40 HGBB CCOC(=O)c1cnc(-n2nc(C)cc2C)nc1Nc1ccc(OC)cc1[N+](=O)[O-] 9361166 VCBPGODAOBRQTM-UHFFFAOYSA-N 412.406 3.116 5 40 HGBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 10119929 HYMUJTLIOCZAJA-VMPITWQZSA-N 422.426 3.422 5 40 HGBB C[C@H](c1ccccc1Cl)N1CCN(c2cc3nc[nH]c(=O)c3cc2[N+](=O)[O-])CC1 29530246 RHOPRWPHWZGARZ-CYBMUJFWSA-N 413.865 3.368 5 40 HGBB CC(C)(C)Oc1ccncc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 89694335 LPZXIYIZSLAGOU-UHFFFAOYSA-N 400.435 3.256 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(NC(=O)N2CCCC2)cc1 408561991 MMLZJYJIDLIYHB-UHFFFAOYSA-N 404.448 3.332 5 40 HGBB COc1ccccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 408628201 QSGSFWKZPYFFLZ-UHFFFAOYSA-N 400.460 3.330 5 40 HGBB CCn1c(SCC(=O)NCCc2ccccc2)nnc1-c1cccc([N+](=O)[O-])c1 409132428 XXPSTPVALBEOBA-UHFFFAOYSA-N 411.487 3.324 5 40 HGBB COc1ccc(CNC(=O)Cn2c(=O)n3c4ccccc4nc3c3ccccc32)cc1 1616032980 YEPGEVGDGMVUDU-UHFFFAOYSA-N 412.449 3.127 5 40 HGBB COc1ccc(OC)c([C@@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 5101142 CUEMXGOAWVLMDS-KRWDZBQOSA-N 410.473 3.048 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(NC[C@H](C(C)C)N(C)C)c([N+](=O)[O-])c2)CC1 12562836 GCIKPXYIKVDTBR-LJQANCHMSA-N 412.556 3.014 5 40 HGBB O=[N+]([O-])c1ccc([C@H](O)[C@@H](CO)Nc2nc(-c3cccnc3)nc3ccccc23)cc1 24982199 BFOJVJUPOVPBCJ-UXHICEINSA-N 417.425 3.106 5 40 HGBB COCCn1/c(=N/C(=O)c2ccccc2[N+](=O)[O-])sc2cc(OC)c(OC)cc21 101035724 UNTZIJUBMRZLCO-VXPUYCOJSA-N 417.443 3.016 5 40 HGBB COc1ccc(CNC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(OC)c1OC 218048358 DGRGUZIWMJCVNI-UHFFFAOYSA-N 406.460 3.170 5 40 HGBB O=C(CN1CCC(NC(=O)c2ccccc2Cl)CC1)Nc1ccccc1[N+](=O)[O-] 4909004 KYYOEEAAOPBFOC-UHFFFAOYSA-N 416.865 3.081 5 40 HGBB CCOC(=O)N[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 6089415 ADOHRBVCQGCXAQ-VIFPVBQESA-N 415.686 3.324 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 9597043 XJDOFWBRUYEBLN-SECBINFHSA-N 423.765 3.349 5 40 HGBB O=c1nc(O)n(C2CC2)c2nc(C3CC3)nc(SCc3ccc([N+](=O)[O-])cc3)c12 12846976 SKZGVSXRZASGOZ-UHFFFAOYSA-N 411.443 3.305 5 40 HGBB CCNc1ccc(S(=O)(=O)N(CC)CC)cc1NC(=O)c1ccccc1[N+](=O)[O-] 32764764 IVMZWKQBNJUTOZ-UHFFFAOYSA-N 420.491 3.309 5 40 HGBB O=C1[C@@H]2ON=C(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 103563653 HYFHXRTXODHYDI-UKRRQHHQSA-N 406.181 3.194 5 40 HGBB CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225412611 ROQDYIHCXBKPMX-CQSZACIVSA-N 419.478 3.130 5 40 HGBB O=C(C1CC1)N1CCc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc21 225776587 LLHBQUYEPSOVQH-UHFFFAOYSA-N 421.862 3.348 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1cccc(Cl)c1Cl)c1cccc([N+](=O)[O-])c1 409271122 JYGIZVZKGAOVMN-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)co1 9712935 NIEVNVYVQXYWLP-UHFFFAOYSA-N 421.818 3.446 5 40 HGBB Cn1c(=O)n(C)c2cc(/C=C3/SC(=O)N(Cc4cccc([N+](=O)[O-])c4)C3=O)ccc21 9720555 SPKYECWPZRXKIG-LICLKQGHSA-N 424.438 3.022 5 40 HGBB CC(C)[C@H](CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])N1CCCC1 12522940 AXUXTPWBBFFWLQ-SFHVURJKSA-N 412.556 3.204 5 40 HGBB NC(=O)c1ccc(SCC(=O)NCC2(c3ccccc3)CCCC2)c([N+](=O)[O-])c1 12823417 SLZSXBPQCUPINR-UHFFFAOYSA-N 413.499 3.414 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(F)c(F)c2)CC1 89793780 UXOVIDUXCGDUFE-UHFFFAOYSA-N 405.401 3.033 5 40 HGBB Cc1ccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1Cl 220406980 CRTJDPDUYRJDGD-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB COC(=O)c1ccc(C(=O)OC)c(-n2c(=O)c3ccccc3c3ccccc3c2=O)c1 2716187 XAEOODXOZXGHIU-UHFFFAOYSA-N 415.401 3.077 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@@H]1COc2ccccc2O1 9539706 BFPJVFGWDARLPN-SNVBAGLBSA-N 418.349 3.140 5 40 HGBB COc1ccc(OC)c(CNC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 12523309 LKMAWJFWUBCHGJ-UHFFFAOYSA-N 402.450 3.488 5 40 HGBB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1 15880844 JGWMAUGXWLBLBK-UHFFFAOYSA-N 412.427 3.098 5 40 HGBB CCCCN(C)c1ncc(Cl)c(C(=O)NCCNc2ccc([N+](=O)[O-])cc2)n1 48290867 JFOHLJLHHXXFEI-UHFFFAOYSA-N 406.874 3.116 5 40 HGBB CC(=O)Nc1ccc(C(C)=O)c(OC(=O)c2cc(F)c(N(C)C)c(F)c2)c1[N+](=O)[O-] 96028289 UHOOSSHYEJGPLH-UHFFFAOYSA-N 421.356 3.319 5 40 HGBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 139081504 JUEKEPRSEXZQCM-PMACEKPBSA-N 419.437 3.494 5 40 HGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)NCc1ccco1 6099826 WIAXNVZRESTTJW-UHFFFAOYSA-N 409.398 3.273 5 40 HGBB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 33040257 JXLBJJRUYVOKGY-RTBURBONSA-N 410.518 3.243 5 40 HGBB CNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222445453 BXVNURISDBIZQH-INIZCTEOSA-N 415.515 3.300 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CCc1nc2ccccc2s1 4979591 JOOKMJQQBZCYDP-UHFFFAOYSA-N 415.427 3.328 5 40 HGBB Cc1ccc(NC(=O)COC(=O)c2cc(Br)ccc2O)cc1[N+](=O)[O-] 7981432 SAPAJJADSIJJTQ-UHFFFAOYSA-N 409.192 3.167 5 40 HGBB COc1ccc2cc(CNC(=O)[C@H](C)NC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1 11122870 YUCGSLBBYSHELN-AWEZNQCLSA-N 407.426 3.191 5 40 HGBB Cc1ccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cc1[N+](=O)[O-] 12746335 GVKWQKHQOGKUSC-UHFFFAOYSA-N 410.426 3.410 5 40 HGBB Cc1ccc(C)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 17089908 JOYZZVZBDWYDJM-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(NC2CC(C)(C)NC(C)(C)C2)c([N+](=O)[O-])c1 22357230 QDPLDHQZGSEXIF-UHFFFAOYSA-N 412.556 3.346 5 40 HGBB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220338855 AKGOGRYHNLYVIE-CQSZACIVSA-N 421.475 3.013 5 40 HGBB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224770732 OAQOUHOVIRWMFG-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB Cc1cc(NC(=O)COC(=O)CCC(=O)c2ccc(F)cc2)c([N+](=O)[O-])cc1C 5019685 SSTQVLIEGRRJAE-UHFFFAOYSA-N 402.378 3.496 5 40 HGBB CCOc1cc([C@@H]2N[C@H](C(=O)O)CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8920050 YQIOPCAXGAXWEX-WMLDXEAASA-N 418.427 3.001 5 40 HGBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)C(F)(F)F 39773230 RDFULJNWOXESIU-UHFFFAOYSA-N 421.291 3.398 5 40 HGBB CCCn1ccc2nc3ccn(-c4nc(C5CCCCC5)n[nH]4)c(=O)c3cc2c1=O 40399014 NXDPWXKWPKRCBK-UHFFFAOYSA-N 404.474 3.276 5 40 HGBB CC[C@@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1cc(C)ccc1C)S(C)(=O)=O 220541305 QFDDTOICOAQZEC-KRWDZBQOSA-N 405.476 3.395 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1ccc(-n2nc(C)cc2C)cc1 3333636 IYRAMGKCVGRFPI-UHFFFAOYSA-N 424.413 3.201 5 40 HGBB CCOc1ccc(C(=O)Nc2cccc(-c3nn4cnnc4s3)c2)cc1[N+](=O)[O-] 12843671 NCTYQFCLQVNRKP-UHFFFAOYSA-N 410.415 3.412 5 40 HGBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1C 22348319 PRGNTCUPCOZCLN-LJQANCHMSA-N 419.503 3.245 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408688894 XBYDLGZCKVQCBW-HDICACEKSA-N 423.400 3.243 5 40 HGBB C[C@@H](Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)C(=O)O 5015008 IVVDFOIISIAHAA-GFCCVEGCSA-N 400.416 3.320 5 40 HGBB CC(C)Cn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(c(=O)c3ccccc3n2C)c1=O 5350336 UTNLVUGFDPPTPV-UHFFFAOYSA-N 404.426 3.480 5 40 HGBB Cc1cc(C(=O)Nc2ccccc2N2CCN(C(=O)C(C)C)CC2)ccc1[N+](=O)[O-] 6415110 CFCSLHHSYQBEQU-UHFFFAOYSA-N 410.474 3.460 5 40 HGBB COc1cccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c1 17227442 RPVUUXQPVXBSFC-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB O=[N+]([O-])c1ccc(NCCNCCOc2nonc2-c2ccccc2)c(Cl)c1 59384048 KTBLBTVNKDKVMZ-UHFFFAOYSA-N 403.826 3.379 5 40 HGBB Cc1ccc2nc3c(cc(C(=O)NC4CCCC4)c(=N)n3C3CCCC3)c(=O)n2c1 100560195 DWDPGNXYRREXDD-UHFFFAOYSA-N 405.502 3.225 5 40 HGBB Cc1ccc([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222367236 NPYRSACVMMZCDR-INIZCTEOSA-N 419.503 3.327 5 40 HGBB CC1=NN(C(=O)c2cccc(Br)c2)[C@](O)(c2ccc([N+](=O)[O-])cc2)C1 5232390 SQEHZCPXWDYZGV-QGZVFWFLSA-N 404.220 3.424 5 40 HGBB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])sc2c1 17090269 LXVLFUJAHDXZCR-UHFFFAOYSA-N 415.456 3.290 5 40 HGBB COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCC3)c2)CC1 4739205 NQAYXACOBYRCKB-UHFFFAOYSA-N 410.474 3.166 5 40 HGBB COc1ccc(CN(C)C(=O)COc2ccc([N+](=O)[O-])cc2Cl)c(OC)c1OC 9509447 KBKUNFFCOZNOPG-UHFFFAOYSA-N 424.837 3.311 5 40 HGBB CCOc1ccccc1-c1noc(CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)n1 12521567 AUYMHTNBDSAEQW-UHFFFAOYSA-N 409.446 3.366 5 40 HGBB COc1ccc(NC(=O)c2c[nH]c(-c3cccc([N+](=O)[O-])c3)n2)c(C(=O)NC2CC2)c1 96011973 ZIKMCSWTCDMEQM-UHFFFAOYSA-N 421.413 3.138 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1cccc(OC)c1)S(C)(=O)=O 220621972 ULJHCHXYUOJRMW-GOSISDBHSA-N 421.475 3.095 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN(Cc1ccccc1)C(=O)c1ccco1 4893577 ZMYHDDDKYAQCQM-UHFFFAOYSA-N 409.398 3.478 5 40 HGBB COC[C@@H](C)OC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 5695667 KOYFFRBXJPIQAF-GFCCVEGCSA-N 402.410 3.069 5 40 HGBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC 7759575 RIDGZGOEZVWPGX-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCN(C)C)C3=O 8549536 JSPNDSSCHDJZKE-HXUWFJFHSA-N 421.453 3.425 5 40 HGBB CSCC[C@H](NC(=O)COc1ccccc1[N+](=O)[O-])c1nc2ccccc2[nH]1 12547493 FDBVFLNSZMVRJF-HNNXBMFYSA-N 400.460 3.461 5 40 HGBB CNS(=O)(=O)Cc1ccc(CNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 32853552 ALIUTGMCXHQPPW-UHFFFAOYSA-N 403.382 3.275 5 40 HGBB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 101053155 VKJQQNNZECEUED-HIFRSBDPSA-N 406.181 3.194 5 40 HGBB CCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408640165 HYGOYBDYCJXPIN-OAHLLOKOSA-N 411.414 3.072 5 40 HGBB Cc1ccc(NC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)c([N+](=O)[O-])c1 4545063 IJXXDVRLNLZFCY-LOHFZDIYSA-N 417.421 3.467 5 40 HGBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)N1CCc2ccccc21 9121132 VNRKNMIBINNQBC-UHFFFAOYSA-N 423.347 3.158 5 40 HGBB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 10331309 AXKVVKBBOCASDT-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB COc1ccc(NC(=O)CN2CCN(c3ccccc3[N+](=O)[O-])CC2)cc1Cl 12761919 CNWNROUOTWSWCA-UHFFFAOYSA-N 404.854 3.018 5 40 HGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(OC(F)(F)F)cc2)C1=O 12787667 KCNYRSXRFPMUKN-KRWDZBQOSA-N 409.320 3.461 5 40 HGBB O=C(COC(=O)c1ccc(NC(=O)c2ccco2)s1)Nc1cccc([N+](=O)[O-])c1 14255255 ZBTBWTMUHBQRML-UHFFFAOYSA-N 415.383 3.297 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CCN(c2cccc(Cl)c2)CC1 58124111 MLLDGTCOPDZNAJ-CQSZACIVSA-N 418.881 3.406 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)cc1F)c1cccc([N+](=O)[O-])c1 222362934 PRRYGDGSZJBOSI-UHFFFAOYSA-N 413.402 3.058 5 40 HGBB O=C(O)COc1ccc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc1 2953681 MNJBSFUGHFASAM-SXGWCWSVSA-N 414.395 3.295 5 40 HGBB COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 223644707 XLVASERPHPCRNY-UHFFFAOYSA-N 408.432 3.278 5 40 HGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 409176101 HKHOZOXYMXBHSB-RTBURBONSA-N 406.394 3.407 5 40 HGBB COc1cccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)c1OC 4120107 QVXSXLKBZIULJA-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)CCn1nc(-c2cccs2)oc1=O 16144219 AYBCPKDYJYQLLA-GFCCVEGCSA-N 402.432 3.083 5 40 HGBB Cc1nn(Cc2ccc(C(=O)N3CC[C@H](Oc4cccnc4)C3)cc2)c(C)c1[N+](=O)[O-] 79110875 MPTRFLHWJMRUQK-FQEVSTJZSA-N 421.457 3.145 5 40 HGBB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3c([N+](=O)[O-])cnn3C)cc2)cc1 89991155 DMTGICBOKDBHSV-UHFFFAOYSA-N 409.402 3.232 5 40 HGBB COCCCNC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624380 UNMCGTYZXLFOFP-UHFFFAOYSA-N 415.449 3.123 5 40 HGBB biogenic O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCCCCC1)n1cc(Cl)ccc1=O 9762969 XVTXYVSBDWPZSA-GOSISDBHSA-N 417.849 3.237 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CC(=O)N(c2ccccc2Br)C1 12553716 MJHULIVJYXXZCO-NSHDSACASA-N 404.220 3.349 5 40 HGBB O=[N+]([O-])c1cccc(OCCN2CCN(CCOc3ccc(Cl)cc3)CC2)c1 40105795 KFBLMHNZTQZSLI-UHFFFAOYSA-N 405.882 3.324 5 40 HGBB CC[C@@H](C(=O)NCCC1=CCCCC1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222536433 KXMDVWQJJGXXEY-SFHVURJKSA-N 423.535 3.455 5 40 HGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408685200 OYYQYSNQLODZIR-CDHQVMDDSA-N 419.437 3.349 5 40 HGBB CCOC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])cc2C)sc2c1CC[C@@H](C)C2 649908 CYAZTMSVHSHCRT-SNVBAGLBSA-N 406.464 3.101 5 40 HGBB CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)ccc1C 4833089 JMMOMKPUOIAMSJ-UHFFFAOYSA-N 405.476 3.494 5 40 HGBB Cc1ccc(-c2c(N)nc(NC#N)nc2CCC(=O)Nc2ccccc2[N+](=O)[O-])cc1 5553429 VAEYJLPYMGDPCS-UHFFFAOYSA-N 417.429 3.407 5 40 HGBB CCOc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c([N+](=O)[O-])cc1OC 12776382 UYQVTXMRFBNXQC-KRWDZBQOSA-N 405.426 3.174 5 40 HGBB CC(C)CC(=O)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16575023 HOFSPRXMTRIENO-UHFFFAOYSA-N 418.441 3.183 5 40 HGBB O=[N+]([O-])c1ccc(-c2nonc2-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 101461214 NNCIQVZDWRPPFB-UHFFFAOYSA-N 402.235 3.036 5 40 HGBB CC[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 218052710 XENKOXZXKXYERE-GOSISDBHSA-N 422.528 3.499 5 40 HGBB CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1)c1ccc(OC)c(OC)c1 219828604 BUQKLAJVNHFUNV-OAHLLOKOSA-N 404.419 3.267 5 40 HGBB CS(=O)(=O)Nc1cccc(NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)c1 12536185 NZWKKFCDUJAPDJ-UHFFFAOYSA-N 421.478 3.165 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 33770189 NXDUPPXYZDNDIK-NCYKPQTJSA-N 417.421 3.008 5 40 HGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[S@@](=O)c1cc(Cl)ccc1Cl 40116909 FXQIZFCVHHKSBK-SANMLTNESA-N 413.238 3.305 5 40 HGBB CCc1ccc([C@H](CNS(=O)(=O)c2c[nH]c3cc([N+](=O)[O-])ccc23)N(C)C)cc1 83823627 GQROZNKBWKFZQF-IBGZPJMESA-N 416.503 3.220 5 40 HGBB CCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2409823 USWGJCDFSNWWQB-UHFFFAOYSA-N 413.437 3.481 5 40 HGBB COCCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nc2ccccc21 4484883 FIDHKCBECYMODN-UHFFFAOYSA-N 416.459 3.330 5 40 HGBB COC(=O)c1nn(-c2nc(-c3cccc(OC)c3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 9597974 URZQIHZJWXJGPJ-UHFFFAOYSA-N 423.307 3.052 5 40 HGBB Cc1ccc(NC(=O)[C@@H](NCCC(=O)N2CCCC2)c2ccccc2)c([N+](=O)[O-])c1 21793523 KLRIPVYSSCFHIF-NRFANRHFSA-N 410.474 3.185 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1C(=O)N1CCCN(c2nc3cc([N+](=O)[O-])ccc3[nH]2)CC1 95939689 RCYWTGVAIBFOCJ-UHFFFAOYSA-N 424.417 3.040 5 40 HGBB CC[C@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1cccc([N+](=O)[O-])c1C 225390487 ADCZCEHOEALCBU-SFHVURJKSA-N 421.475 3.095 5 40 HGBB CCOC(=O)c1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)ccc1N1CCOCC1 4749034 UHJQQOKDXVOHDP-UHFFFAOYSA-N 413.430 3.169 5 40 HGBB C[C@@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)NC1CCCCC1 5968853 BWBDBERLUCNFQI-OAHLLOKOSA-N 403.479 3.192 5 40 HGBB Cc1ccc(Sc2ccc(C(=O)OCC(=O)N3CCCC3=O)cc2[N+](=O)[O-])cc1 7986078 MONDVDPYDJLPIP-UHFFFAOYSA-N 414.439 3.360 5 40 HGBB COc1ccc2nc(NC(=S)NC(=O)COc3ccc([N+](=O)[O-])cc3)sc2c1 16227835 KYBITDJFPQKNDI-UHFFFAOYSA-N 418.456 3.105 5 40 HGBB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 33040258 JXLBJJRUYVOKGY-OALUTQOASA-N 410.518 3.243 5 40 HGBB COc1ccc(Br)cc1S(=O)(=O)Nc1cccc([N+](=O)[O-])c1C 216142411 QSRIJOKWJRTTPN-UHFFFAOYSA-N 401.238 3.475 5 40 HGBB COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778516 PBVSWZKKWYGFAY-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O)o2)c1 408633475 NGDWTRDZIDOLOR-JYRVWZFOSA-N 419.371 3.473 5 40 HGBB Cc1ccc(NC(=O)CN2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)cc1 12736693 IYJRAUPJHCXTEC-UHFFFAOYSA-N 405.458 3.212 5 40 HGBB Cn1c(=O)nc2n(-c3ccc(Cl)c(Cl)c3)c3ccc([N+](=O)[O-])cc3cc-2c1=O 59497855 HNVUKPNGGLCKQG-UHFFFAOYSA-N 417.208 3.404 5 40 HGBB O=C(Nc1ccccc1)[C@@H]1CCCN(c2ccc(N3CCOC3=O)cc2[N+](=O)[O-])C1 78903635 FRNPROKXPMZQPV-OAHLLOKOSA-N 410.430 3.407 5 40 HGBB O=C(COc1ccc2c(c1)oc(=O)c1ccccc12)NC[C@H]1CC[C@H](C(=O)O)CC1 100767318 XHVFBECDJUGMAD-GASCZTMLSA-N 409.438 3.332 5 40 HGBB CCCCC(=O)/N=c1/c(C(=O)OCC)cc2c(=O)n3ccccc3nc2n1C(C)C 103627895 PMFCLCDUHAQHKP-GFMRDNFCSA-N 410.474 3.024 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@@H]1C[C@H]2C[C@@H]3C[C@H]2C[C@H]1C3 217653082 BTUZUIDUPGWLIR-NTZUZEMLSA-N 416.542 3.291 5 40 HGBB CC[C@H](C(=O)Nc1cc(C)cc(C)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513704 HXOIIKQXQWXQCJ-GOSISDBHSA-N 405.476 3.395 5 40 HGBB CC[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 408640174 AOGRHGZNBAITTD-SFHVURJKSA-N 423.425 3.153 5 40 HGBB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 4036019 FPCUGYRNDHBOIE-GOSISDBHSA-N 416.459 3.054 5 40 HGBB CC1=NN(c2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccc(Cl)cc2)C(=O)C1 5444957 BVTJRTILGIIIHP-UHFFFAOYSA-N 408.823 3.162 5 40 HGBB CCc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 8413045 NZYNRJIQZXYLHB-UHFFFAOYSA-N 413.430 3.448 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1cccn(OCc2ccc(F)cc2)c1=O 9599665 KZGAIPBVWRJCRU-UHFFFAOYSA-N 417.780 3.430 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 20611776 GEILGZXDWOOEDZ-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB Cc1c(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 219751209 LBJBWLAKSVEJDV-KRWDZBQOSA-N 423.878 3.348 5 40 HGBB COc1cc(C(=O)Nc2ccc(N3CCCC3)nc2)c([N+](=O)[O-])cc1OC(F)F 36398798 OERCRGJZWXLVEC-UHFFFAOYSA-N 408.361 3.452 5 40 HGBB COc1ccc(Oc2cc(N3C(=O)[C@H]4[C@H]5CC[C@@H](O5)[C@@H]4C3=O)cc([N+](=O)[O-])c2)cc1 103149258 XNGUJDZEBTVAIX-YRXWBPOGSA-N 410.382 3.063 5 40 HGBB C[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 222367306 DPXYIFZXZFRJIK-CQSZACIVSA-N 423.466 3.158 5 40 HGBB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccc(F)cc1[N+](=O)[O-] 13041754 LHEIPDXWLURMHY-ZZXKWVIFSA-N 413.155 3.285 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NC1CCN(C2CC2)CC1 14327137 XAHPYZMUVBDWLY-UHFFFAOYSA-N 422.551 3.198 5 40 HGBB Cc1cccc(C(=O)NC[C@H](c2ccccc2Cl)N2CCOCC2)c1[N+](=O)[O-] 29803546 NOBMRGJUCZIDGB-GOSISDBHSA-N 403.866 3.360 5 40 HGBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCc1cn2cc(Br)ccc2n1 71446460 PZLLYEYGDJAGDY-FPYGCLRLSA-N 401.220 3.335 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])N1CCN(c2cccc(C(F)(F)F)c2)CC1 2807065 KQQGMHMHUGOCML-UHFFFAOYSA-N 424.335 3.484 5 40 HGBB O=C(COn1nnc2ccc(C(F)(F)F)cc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 12569687 ARYPNXHTLLMMFW-UHFFFAOYSA-N 415.715 3.079 5 40 HGBB Cc1nn(CC(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c(C)c1[N+](=O)[O-] 48310456 MCGMEBJINHXDQE-HZPDHXFCSA-N 413.522 3.202 5 40 HGBB COc1cc(OCC(=O)Nc2nnc(-c3ccc(C)cc3)s2)ccc1[N+](=O)[O-] 224058322 IVALMLMRGMRBRX-UHFFFAOYSA-N 400.416 3.448 5 40 HGBB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3C)ccc21 225726640 AVWYOKLPTXGUQC-UHFFFAOYSA-N 407.473 3.490 5 40 HGBB CCOC(=O)C1=C(COc2cc(F)ccc2[N+](=O)[O-])NC(=O)N[C@H]1c1cccs1 8723715 MLUGJISRUGTKIK-INIZCTEOSA-N 421.406 3.046 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cccn(OCc2ccc(F)cc2)c1=O 9599663 UNBLYAAUZCLJIP-UHFFFAOYSA-N 417.780 3.430 5 40 HGBB Cc1ccc(NC(=O)C(=O)NC[C@H](c2cccc3ccccc23)N(C)C)c([N+](=O)[O-])c1 10333762 SFNYSCCTQQKSFP-OAQYLSRUSA-N 420.469 3.414 5 40 HGBB O=C(O)c1ccc(Cl)c(-c2ccc(/C=C/c3nc(O)c([N+](=O)[O-])c(=O)[nH]3)o2)c1 17056202 VHWVIHXKQPQXMO-ZZXKWVIFSA-N 403.734 3.166 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c(C)c1 22375261 AHQCVBPIGWSOOT-MRXNPFEDSA-N 419.503 3.163 5 40 HGBB O=C1NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1cccc([N+](=O)[O-])c1 40116927 FWZSMHNPNYLRMK-UHFFFAOYSA-N 417.421 3.469 5 40 HGBB COC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(NC(=O)CCc2ccccc2)CC1 48287854 SOWDTIWVJPPHIT-UHFFFAOYSA-N 411.458 3.099 5 40 HGBB CS(=O)(=O)N(CCCC(=O)NCCC1=CCCCC1)c1cccc([N+](=O)[O-])c1 222362572 IJAFTMDZMKWYMP-UHFFFAOYSA-N 409.508 3.148 5 40 HGBB COc1ccccc1C[C@@H](O)C[C@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1317973 BZZSAOAUTFSBKG-MSOLQXFVSA-N 400.495 3.100 5 40 HGBB biogenic CC(C)Oc1ccc(-c2nc3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n3n2)cc1 1844261 GXGYYNWFHZEWBY-BOPFTXTBSA-N 408.439 3.061 5 40 HGBB O=C(Nc1ccccc1Cl)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9698565 YRRFMIXEYPUBFC-UHFFFAOYSA-N 423.878 3.288 5 40 HGBB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1cccc([N+](=O)[O-])c1 26586055 QDSAQIOCXPHCTD-CXAGYDPISA-N 424.409 3.288 5 40 HGBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(O)cc2)CC1 58160405 WPDMFZCUBMKEQO-CYBMUJFWSA-N 404.854 3.103 5 40 HGBB Cc1ccc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c(-n2nc3ccccc3n2)c1 1755127 AHNMYJVPCGJQMU-UHFFFAOYSA-N 410.411 3.405 5 40 HGBB CN1CCN(c2ccc(C(=O)N(C)c3nc4ccccc4s3)cc2[N+](=O)[O-])CC1 12511902 PHJNBJFSKOWDDY-UHFFFAOYSA-N 411.487 3.233 5 40 HGBB O=C1C[C@@H](C(F)(F)F)N(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 21312638 KMQIUOGVUHIIIW-HNNXBMFYSA-N 409.320 3.280 5 40 HGBB COc1cc(OC)cc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c1 33405345 NRXPGLUUCLTBOM-UHFFFAOYSA-N 403.376 3.457 5 40 HGBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(C/C=C/c2ccccc2)CC1 33749730 PTEJQPYIPWNLBO-QPJJXVBHSA-N 421.906 3.268 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(Cc3csc4ccccc34)CC2)c1 40017369 FNHCJRABFSZYFV-UHFFFAOYSA-N 417.512 3.316 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1c(C)cccc1C)S(C)(=O)=O 220378643 KOZDMZROCKDSDC-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB CC(C)(C)C(=O)OC[N+](C)(C)CCOC(=O)C(O)(c1ccccc1)c1ccccc1 3032051 ZTRZSDCJEDJWBD-UHFFFAOYSA-N 414.522 3.089 5 40 HGBB CCC(=O)N1N=C(c2cccc(NS(C)(=O)=O)c2)C[C@H]1c1cccc([N+](=O)[O-])c1 4036114 GRXWQEZIUSXKRF-SFHVURJKSA-N 416.459 3.054 5 40 HGBB CCOc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@H]1c1cccc([N+](=O)[O-])c1 4806353 AYQGDHDSQJWDFT-SFHVURJKSA-N 412.471 3.425 5 40 HGBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccc(Cl)cc1 7881400 SSWZJJRYMLHRCN-OCCSQVGLSA-N 416.817 3.416 5 40 HGBB COC(=O)c1ccc(CNC(=O)/C=C/c2cc([N+](=O)[O-])ccc2OC(F)F)cc1 3199552 FHZVSFILTOQWQM-RMKNXTFCSA-N 406.341 3.312 5 40 HGBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCCCOCC3CC3)c([N+](=O)[O-])c2)C1 7366890 FXBANSXAKVFPEN-OAHLLOKOSA-N 411.524 3.244 5 40 HGBB COc1ccc(OC)c([C@H]2CCCN2C(=O)COc2cc(F)ccc2[N+](=O)[O-])c1 8373756 ZSZQWDXDJSURGL-MRXNPFEDSA-N 404.394 3.494 5 40 HGBB COCCOc1cc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1OC 24936300 IJESNZXYIVBWIL-UHFFFAOYSA-N 415.446 3.481 5 40 HGBB CN1CCC(Oc2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)CC1 217029308 USWKXJLTAVGDEN-UHFFFAOYSA-N 405.476 3.010 5 40 HGBB CN1CCN(c2ccc(-c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)nn2)CC1 5259409 IWUPIOBRZUJEBL-UHFFFAOYSA-N 418.457 3.056 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O 6478213 SDOZFYITUYXTNZ-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(NC(C)=O)cc2)c([N+](=O)[O-])c1 7982492 MYZVWNFTGJBECU-UHFFFAOYSA-N 407.448 3.376 5 40 HGBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1cccn(OCc2ccc(F)cc2)c1=O 9599666 GGOPRKBGEZWRKP-UHFFFAOYSA-N 417.780 3.430 5 40 HGBB Cc1ccc(C(=O)NCC(=O)Nc2nc(C)c(-c3ccccn3)s2)cc1[N+](=O)[O-] 12517399 UHKGWKOWRKUAKG-UHFFFAOYSA-N 411.443 3.099 5 40 HGBB Cc1ccc(C(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cc1[N+](=O)[O-] 15880865 TZUMRFOVVYSPIQ-UHFFFAOYSA-N 412.427 3.016 5 40 HGBB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)CSc1[nH]nc(C)c1[N+](=O)[O-] 15974290 ZAMBPWROMRQLCS-UHFFFAOYSA-N 400.464 3.219 5 40 HGBB O=C(Nc1cccc(CNc2nc3ccccn3c(=O)c2[N+](=O)[O-])c1)c1ccco1 32825051 XLYRZOUNCKZEJO-UHFFFAOYSA-N 405.370 3.060 5 40 HGBB COc1cccc(N(CCCC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 222592606 BEHSGLWBCPHSLQ-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB CCc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1 222685983 IMONRHLZAIQSAD-UHFFFAOYSA-N 405.476 3.342 5 40 HGBB COc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409041968 LOMITURUQCACLB-VGOFMYFVSA-N 403.778 3.016 5 40 HGBB Cc1cccc(CS(=O)(=O)N2CCC(C(=O)Nc3cccc([N+](=O)[O-])c3)CC2)c1 19867764 SNOBUVGDTGJEED-UHFFFAOYSA-N 417.487 3.084 5 40 HGBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)c1ccccc1C(=O)c1ccc(F)cc1 32795467 BUFOPHRRNZNCNZ-FQEVSTJZSA-N 408.385 3.428 5 40 HGBB Cc1c(N(CC(=O)O)S(=O)(=O)c2cc(Cl)ccc2Cl)cccc1[N+](=O)[O-] 224940478 YHJZLJIFOLTQOO-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB Cc1ccccc1NC(=O)COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 409338661 NVZNKIHQHXCUMT-DHZHZOJOSA-N 422.397 3.292 5 40 HGBB O=C(Cn1cnc2ccccc2c1=O)OCc1cc(=O)oc2ccc3ccccc3c12 3428085 ZRHYQFKKUZKJBX-UHFFFAOYSA-N 412.401 3.400 5 40 HGBB CCOC(=O)c1c(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])sc(C)c1CC 5970175 QCFQEFQETBPZBZ-UHFFFAOYSA-N 407.448 3.425 5 40 HGBB CC(C)Oc1ccc([C@H]2CC(=O)N(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])C2=O)cc1 8860847 MWQHYFBKDKJTSZ-OAHLLOKOSA-N 414.374 3.160 5 40 HGBB O=C(Cc1ccc([N+](=O)[O-])cc1)N1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 33187516 AGSOKGABDTVVKR-UHFFFAOYSA-N 421.375 3.141 5 40 HGBB CCOC(=O)C[C@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(C)cc1 3622783 ZJSMMNUIPOMDBP-SFHVURJKSA-N 424.409 3.434 5 40 HGBB COc1ccc(Cc2nnc3n2N=C(c2cccc([N+](=O)[O-])c2)CS3)cc1OC 4586135 QQBIGIHRTCIBPQ-UHFFFAOYSA-N 411.443 3.152 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1cccc(C(F)(F)F)c1 7794568 DDJNDOLBPCVXMX-UHFFFAOYSA-N 412.320 3.483 5 40 HGBB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1cccc([N+](=O)[O-])c1 19468415 MQHBOKRQZNOCIQ-JOCHJYFZSA-N 423.425 3.026 5 40 HGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 40071738 OQNUBMPJSTUBBU-UHFFFAOYSA-N 423.922 3.500 5 40 HGBB CCc1nnc2sc(-c3cccc(NC(=O)COc4ccccc4[N+](=O)[O-])c3)nn12 57316891 KRLXYKIFWNLESA-UHFFFAOYSA-N 424.442 3.341 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccc(I)cc2F)c1 95634832 CNHACKDMARRQQY-UHFFFAOYSA-N 422.175 3.139 5 40 HGBB O=C(O)CN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 225016026 GGASHHTUIWRLNA-UHFFFAOYSA-N 420.443 3.196 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc([N+](=O)[O-])cc1 409343834 IOQTXMQIOTTXFQ-CXUHLZMHSA-N 413.367 3.422 5 40 HGBB CCC[C@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])C1=O 8946283 IMKIQOOUHQCEBJ-JOCHJYFZSA-N 424.457 3.398 5 40 HGBB O=C(NCCNc1ccccc1[N+](=O)[O-])NCc1cccc(NC(=O)c2ccco2)c1 28408767 GHPYKCCWJVXOHB-UHFFFAOYSA-N 423.429 3.351 5 40 HGBB O=C(CCc1ccccc1)NC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48274237 DLBWIBKBBIYWED-UHFFFAOYSA-N 407.474 3.115 5 40 HGBB O=C(CC(c1ccccc1)c1ccccc1)N[C@H](CO)[C@H](O)c1ccc([N+](=O)[O-])cc1 3257121 FFTBGPXVRJDKQD-ISKFKSNPSA-N 420.465 3.328 5 40 HGBB CS(=O)(=O)c1cccc(C(=O)Nc2ccc([N+](=O)[O-])cc2C(=O)c2ccccc2)c1 9254209 KMEZILLDLQBLQB-UHFFFAOYSA-N 424.434 3.482 5 40 HGBB Nc1ccccc1CNC(=O)/C(=C/c1ccccc1[N+](=O)[O-])NC(=O)c1ccccc1 13576617 ZNUJXIKGJMNIBT-ZHZULCJRSA-N 416.437 3.264 5 40 HGBB Cc1cc(C)cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17089909 XSWRXHLMKXUKDP-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)nnc1-c1ccncc1 408558033 RSHFOJPYXJVPRM-UHFFFAOYSA-N 414.447 3.008 5 40 HGBB CCCn1c(C)cc(C(=O)COC(=O)c2cc(C(=O)OC)cc([N+](=O)[O-])c2)c1C 3415820 RMGJHRUGGDLJTC-UHFFFAOYSA-N 402.403 3.249 5 40 HGBB CN(C)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc([N+](=O)[O-])c1 5178933 BFMBFZCCBYNKNT-LJQANCHMSA-N 407.426 3.198 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccccc1N1CCCC1 6615708 FOZBNAQPOMEQIQ-UHFFFAOYSA-N 400.460 3.087 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716503 NWTMQTGQTORFLM-GOSISDBHSA-N 405.476 3.395 5 40 HGBB CCOc1ccccc1N1CCN(Cn2cnc(-c3ccc([N+](=O)[O-])cc3)n2)CC1 29498758 NGVXNSFXYZAZRQ-UHFFFAOYSA-N 408.462 3.032 5 40 HGBB O=[N+]([O-])c1cnn(Cc2cc(-c3nnc(-c4ccc(Br)cc4)o3)no2)c1 66088414 PFFSWGFIOFFMJH-UHFFFAOYSA-N 417.179 3.307 5 40 HGBB Cc1cccc(-c2noc(CN(C)S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c1 223762560 JAROJYXJLHHXSX-UHFFFAOYSA-N 402.432 3.082 5 40 HGBB Cc1nc2ccccn2c1-c1nnc2sc(COc3ccc([N+](=O)[O-])cc3)nn12 227143458 FJFMEXDEZFKIHU-UHFFFAOYSA-N 407.415 3.296 5 40 HGBB CC[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260504466 ILTQQVXZOARZIB-ACJLOTCBSA-N 423.466 3.156 5 40 HGBB CCOc1cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 3181433 DKFBWINIFZASSD-KRWDZBQOSA-N 418.446 3.254 5 40 HGBB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 4742040 REINHDSQOMNDSS-LJQANCHMSA-N 408.414 3.423 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(N2CCCCS2(=O)=O)c1 5135919 CLIXUDNHTXKEIL-UHFFFAOYSA-N 403.460 3.394 5 40 HGBB Cc1nc(Cc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)o2)cs1 9384779 ZBVBCKSTGXKALB-UHFFFAOYSA-N 406.445 3.492 5 40 HGBB Cc1c(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)CCCC3)cccc1[N+](=O)[O-] 12747381 GIBCGZZPSDEMOW-UHFFFAOYSA-N 417.487 3.089 5 40 HGBB COCCN(Cc1ccc(F)cc1Cl)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 79111639 UOBKYBTWRYWWAC-UHFFFAOYSA-N 416.858 3.444 5 40 HGBB CSc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220067325 ANUNWVDQPZMCGU-UHFFFAOYSA-N 409.489 3.030 5 40 HGBB COc1ccccc1NC(=O)C1=C(C)Nc2ncnn2[C@@H]1c1ccccc1[N+](=O)[O-] 940459 AJYGBLZZDRPIML-GOSISDBHSA-N 406.402 3.123 5 40 HGBB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1cccs1)c1cccc([N+](=O)[O-])c1 4519285 ROJKLZGWMUNUOA-HNNXBMFYSA-N 406.441 3.194 5 40 HGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408685202 OYYQYSNQLODZIR-XPGWFJOJSA-N 419.437 3.349 5 40 HGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nc(-c3ccc(F)cc3)cs2)CC1 21687449 TUDXFAAORFRJKQ-UHFFFAOYSA-N 416.434 3.408 5 40 HGBB CCC(CC)[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCC1 32829323 ALHMDQSLSNQFSP-NRFANRHFSA-N 418.538 3.380 5 40 HGBB CC[C@H]1[C@@H]2C[C@@H]3[C@H]4N(C)c5ccccc5[C@]45C[C@@H]([C@@H]2[C@@H]5O)[N+]3(Cc2ccccc2)[C@@H]1O 102918333 KIPHTHYSVQAMJV-PVLZPOAKSA-N 417.573 3.270 5 40 HGBB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225032106 DQUBCXVVBSOHLW-UHFFFAOYSA-N 416.814 3.146 5 40 HGBB CCN(CC)c1cc2c(cc1NC(=O)c1ccc(C)c([N+](=O)[O-])c1)n(C)c(=O)n2C 408529177 HETVTYSLCHOCNU-UHFFFAOYSA-N 411.462 3.192 5 40 HGBB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12521962 SNHPOWBPSYAZQM-UHFFFAOYSA-N 419.865 3.236 5 40 HGBB O=C(c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)n1cccc/c1=N\C1CCCCC1 12823930 FPYSUBQUZBHFPM-XTQSDGFTSA-N 410.474 3.155 5 40 HGBB CN(Cc1cccs1)C(=O)COC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 24455213 UJWFBXBRHGHKPO-UHFFFAOYSA-N 417.487 3.075 5 40 HGBB Cc1ccc(C)c(OCCOC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 32942911 LEOFORTWKYRFRJ-UHFFFAOYSA-N 400.431 3.284 5 40 HGBB O=C1N/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(Br)cc1 111505538 RXXSXKZZBRXQRN-NTEUORMPSA-N 402.204 3.450 5 40 HGBB CC(=O)Nc1cccc(-c2nc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n[nH]2)c1 408638283 QTAAPDMGLNKVFH-UHFFFAOYSA-N 400.376 3.398 5 40 HGBB COc1ccc(NC(=O)C2=C(C)Nc3ncnn3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 4705338 GOGACJAGKQCXOE-SFHVURJKSA-N 406.402 3.123 5 40 HGBB O=C(CNC(=O)OCc1ccccc1)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13591415 VPVRZDDTEWFJMC-UHFFFAOYSA-N 419.389 3.484 5 40 HGBB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 17091452 COTNCYWQSBMOPO-VIFPVBQESA-N 418.500 3.007 5 40 HGBB O=c1c2cc(Cl)cc(Cl)c2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 24981284 FKTFREQOFJVEIJ-GFCCVEGCSA-N 410.213 3.051 5 40 HGBB C[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 27374961 PQKRUKJVZASWQC-GOEBONIOSA-N 422.441 3.261 5 40 HGBB Cc1cccc(C)c1OCCNC(=O)CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21 40113828 WZEHBMCDEAKGFY-UHFFFAOYSA-N 413.430 3.095 5 40 HGBB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223729414 NWXRDBMJEUOENP-CQSZACIVSA-N 403.866 3.344 5 40 HGBB CCc1nnc(S/C(=C\c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)O)o1 408631141 FESHZUIIWSSAIW-WTKPLQERSA-N 416.209 3.226 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408688896 XBYDLGZCKVQCBW-QZTJIDSGSA-N 423.400 3.243 5 40 HGBB CCCCCn1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3ccccc3nc21 2201087 YHYGHORADXWJGY-UHFFFAOYSA-N 422.510 3.152 5 40 HGBB O=C(c1c(F)c(F)c(F)c(F)c1F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 5394847 JVTOIRGMSFASFP-UHFFFAOYSA-N 401.291 3.253 5 40 HGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 8475193 OYYQYSNQLODZIR-UIAACRFSSA-N 419.437 3.349 5 40 HGBB Cc1ccccc1[C@H](C)Nc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] 37222238 QHVUFLPCZGCOJW-INIZCTEOSA-N 418.519 3.012 5 40 HGBB CCOc1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220380543 QHIZCRUHCDKZQU-AWEZNQCLSA-N 421.475 3.095 5 40 HGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1cccs1 225143944 WEGCMWSDFCBBCG-UHFFFAOYSA-N 404.853 3.068 5 40 HGBB O=C(Oc1ccc(Cl)cc1C(=S)N1CCOCC1)c1ccccc1[N+](=O)[O-] 4548221 RVSMHYMWUZHQLS-UHFFFAOYSA-N 406.847 3.475 5 40 HGBB Cc1ccccc1Nc1nc(N)nc(COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)n1 6391664 WFRXQRZUFNHZGP-MDZDMXLPSA-N 406.402 3.171 5 40 HGBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)N(C)Cc1ccsc1 24384265 HREDDGXSOJEPDC-INIZCTEOSA-N 407.517 3.166 5 40 HGBB COc1ccc(CCN(C)c2ccc(C(=O)NC(C)C)cc2[N+](=O)[O-])cc1OC 30561229 JXMKXIYKBKNYOY-UHFFFAOYSA-N 401.463 3.429 5 40 HGBB Cc1ccc(S(=O)(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] 223582205 VPDQYGRCTZLFDI-UHFFFAOYSA-N 422.850 3.427 5 40 HGBB CC[N@+]12CCC[C@@]34CC[C@@]5([C@H](C(=O)OC)C3)N(C(C)=O)c3ccccc3[C@]5(CC1)[C@H]42 247648276 LETLXEQFYFDEOJ-CKOZJVCSSA-N 409.550 3.406 5 40 HGBB biogenic,in-vitro CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 10010429 UWSQHHKKQWEPTM-UHFFFAOYSA-N 416.865 3.477 5 40 HGBB O=C(Nc1ccc2c(c1)OCO2)C1CCN(C(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 12993934 MQWFGYIXKAZMAL-QPJJXVBHSA-N 423.425 3.214 5 40 HGBB Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc([N+](=O)[O-])cc1 13424046 SACSFUHQTUFJIK-UHFFFAOYSA-N 414.403 3.029 5 40 HGBB CCOc1ccc([C@@H](N)c2n[nH]c(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OCC 95534615 LHBBYOSFROXWCH-GOSISDBHSA-N 413.434 3.234 5 40 HGBB COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])C(C)(C)[C@@H]2[N+](=O)[O-])cc1 217351226 PHVJOZFYTCDHBH-LWYYNNOASA-N 415.446 3.406 5 40 HGBB CCOC(=O)CN(c1ccc(OCC)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225074945 QOUGXOXQIKWINS-UHFFFAOYSA-N 422.459 3.060 5 40 HGBB CCOc1c(Br)cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc1OC 409322575 KQNGDRRWJYUFKH-PLNGDYQASA-N 412.196 3.136 5 40 HGBB COc1ccc(OC)c(N2C[C@@](O)(c3ccc([N+](=O)[O-])cc3)[N+]3=C2CCCCC3)c1 2974551 IQBAICXSMZMOOM-JOCHJYFZSA-N 412.466 3.262 5 40 HGBB CC1=C(C(=O)OCC(C)C)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@@H](C)SC2=N1 5067159 DTBUJXURVXEJKG-MLGOLLRUSA-N 403.460 3.443 5 40 HGBB O=C1C[C@@]2(CC(c3ccc([N+](=O)[O-])cc3)=NO2)C(=O)N1c1ccc(F)c(Cl)c1 5205443 MDOWGVBFZHFAHS-SFHVURJKSA-N 403.753 3.214 5 40 HGBB O=C(COc1ccc(Cl)cc1Cl)NCC(=O)OCc1ccc([N+](=O)[O-])cc1 6251359 NAWDQDXYQZLPEX-UHFFFAOYSA-N 413.213 3.140 5 40 HGBB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 10252609 XFZIOAYRAPRYCJ-UHFFFAOYSA-N 417.468 3.303 5 40 HGBB CCOc1ccc([C@H](N)c2n[nH]c(-c3ccc(OC)c([N+](=O)[O-])c3)n2)cc1OCC 95534614 LHBBYOSFROXWCH-SFHVURJKSA-N 413.434 3.234 5 40 HGBB Cc1ccc(NC(=O)CSc2n[nH]c(COc3ccccc3F)n2)cc1[N+](=O)[O-] 408582466 OGJIDFDVFYKHMS-UHFFFAOYSA-N 417.422 3.470 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 5253152 WPHMIGQURFEFIM-KXBFYZLASA-N 406.394 3.425 5 40 HGBB COc1cccc(C2=NN(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)c1 32101331 BQKSXROVXYMJTH-KRWDZBQOSA-N 409.320 3.105 5 40 HGBB CCc1c(C(=O)NCc2ccc(N3CCCC3)nc2)cnn1-c1ccc([N+](=O)[O-])cc1 33017202 HCQLXUFQONNGHX-UHFFFAOYSA-N 420.473 3.268 5 40 HGBB NC(=O)/C=C\c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 409416247 QZQQXFYQYXTYLX-YWEYNIOJSA-N 424.194 3.277 5 40 HGBB CCOc1ccc(NC(=O)C2=C(C)NC(=S)N[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 845594 QASPKMXTXASUDV-SFHVURJKSA-N 412.471 3.425 5 40 HGBB COc1cc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c([N+](=O)[O-])cc1OC 9659399 AVAMKYZBZWNDTL-UHFFFAOYSA-N 404.360 3.382 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(NCCCN2CCCCCC2)c([N+](=O)[O-])c1 12536560 ALSGFAKAZSBGIW-UHFFFAOYSA-N 412.556 3.303 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 32119225 YAPWRNOLQPOPCB-UHFFFAOYSA-N 416.242 3.499 5 40 HGBB Cc1cc(C2=CCN([C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)CC2)cc([N+](=O)[O-])c1N 72308616 JQFAYRWXASGJKF-AWEZNQCLSA-N 424.457 3.330 5 40 HGBB COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113882818 VFUULPIRUIDQOD-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CCc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5477451 MCQGZVQRRFTPLN-SFHVURJKSA-N 412.402 3.309 5 40 HGBB O=C(OCC(=O)N1CCc2ccccc21)c1cc([N+](=O)[O-])ccc1N1CCCCC1 7737274 IBEVYGTXOIZDKI-UHFFFAOYSA-N 409.442 3.331 5 40 HGBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cccc1[N+](=O)[O-] 14798663 DWUGRIZRTHGYTK-CQSZACIVSA-N 421.450 3.082 5 40 HGBB O=C(NC(=S)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cccc(Cl)c1 20410906 ZWELYJKFNFYDKQ-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(NC[C@@H](CC(C)C)N(C)C)c([N+](=O)[O-])c1 23887543 CQYAACYYUDVMTI-OAHLLOKOSA-N 400.545 3.014 5 40 HGBB CSc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220028523 OBFFRZZZYQQNRG-UHFFFAOYSA-N 409.489 3.030 5 40 HGBB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 4130544 NORRGEVRFGXETI-UHFFFAOYSA-N 406.427 3.455 5 40 HGBB CC(C)c1nnc(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2[N+](=O)[O-])s1 13150635 HXCCBNZBOCQCHO-CYBMUJFWSA-N 404.452 3.205 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(I)cc2)ccc1F 42266845 UNSLSSUDTRALNU-UHFFFAOYSA-N 422.175 3.139 5 40 HGBB CC[C@@H](C)n1c(=N)c(S(=O)(=O)c2ccccc2)cc2c(=O)n3cccc(C)c3nc21 100826784 DJOGJRCRWNPRAO-OAHLLOKOSA-N 422.510 3.241 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)N1CCCCC1 106758020 XLPZIQHBJCBCCY-ZROIWOOFSA-N 409.851 3.297 5 40 HGBB Cc1cc(NC(=O)[C@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n([C@@H]2C[C@H]3CC[C@H]2C3)n1 108375354 YMDLSHALTRZRRG-YRBFXIGRSA-N 411.462 3.218 5 40 HGBB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)cc1 408608097 MREBLIRJHCINON-HXUWFJFHSA-N 411.458 3.267 5 40 HGBB COc1cc(OC)c([N+](=O)[O-])cc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 409104186 GHGJCGKPEGWHTR-AWNIVKPZSA-N 403.778 3.363 5 40 HGBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H]1CCCc2ccccc21 3298424 TZUCFIPGHQHHGA-MRXNPFEDSA-N 410.459 3.077 5 40 HGBB CCOc1ccccc1C(=O)N[C@H](C(=O)N1CCc2ccc([N+](=O)[O-])cc21)C(C)C 32906927 XEJKUKJMWSJQJR-FQEVSTJZSA-N 411.458 3.337 5 40 HGBB CCN1CCN(c2cc(NC(=O)COc3ccccc3)c(Cl)cc2[N+](=O)[O-])CC1 72229606 USHWBAHLYGMMCS-UHFFFAOYSA-N 418.881 3.408 5 40 HGBB COC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113883133 HCQMKZYIDNCRPF-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CCc1cccc(CC)c1N1C[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 408663987 YMEQSKHPRHYNRG-SFHVURJKSA-N 424.453 3.499 5 40 HGBB O=C(COn1nnc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)c(C(F)(F)F)c1 1446125 ZJCMYNFHCGENFK-UHFFFAOYSA-N 415.715 3.079 5 40 HGBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)/C=C/c1cccc([N+](=O)[O-])c1 3449076 GAZYNVFNNAJLII-KPKJPENVSA-N 410.430 3.054 5 40 HGBB COc1ccc2c(c1)c1nc3n(c(=O)c1n2Cc1ccc([N+](=O)[O-])cc1)CCS3 5451912 PULKHFNOUOHHKB-UHFFFAOYSA-N 408.439 3.422 5 40 HGBB CCc1ccc(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220382617 QRKQRWAYZAVULJ-AWEZNQCLSA-N 405.476 3.259 5 40 HGBB Cc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 222683888 JYAKCTZVFAGKAY-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408687699 UTIPWBOGCOEREL-IYBDPMFKSA-N 423.400 3.243 5 40 HGBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2ccccc2F)cc1 32640701 WCIGIXNUKOQFOL-DOTOQJQBSA-N 421.475 3.009 5 40 HGBB COc1cc(OCC(=O)Nc2ccccc2C(=O)N2CCCCC2)ccc1[N+](=O)[O-] 66016120 SLJIAUCZABJLGK-UHFFFAOYSA-N 413.430 3.247 5 40 HGBB C[C@@H](CNC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 224819875 JJLOVMCZIAOLKD-INIZCTEOSA-N 419.503 3.061 5 40 HGBB Cc1nc(-c2ccccc2)sc1CCNC(=O)C(=O)Nc1cccc([N+](=O)[O-])c1 4392708 QIPYTXUYHWMLJP-UHFFFAOYSA-N 410.455 3.324 5 40 HGBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 4414536 GGOCJRRIGXJGRJ-UHFFFAOYSA-N 400.435 3.135 5 40 HGBB O=[N+]([O-])c1ccccc1N(S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1 4683013 OCMWVYODQVCYPU-UHFFFAOYSA-N 418.452 3.179 5 40 HGBB CN(C)[C@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])c1ccco1 5698989 FYQHUTOJHZTAQC-GOSISDBHSA-N 422.507 3.077 5 40 HGBB CC(=O)N1CCC(N[C@@H](C(=O)Nc2ccc(C)cc2[N+](=O)[O-])c2ccccc2)CC1 15501081 LZFSYWKVZJYCMX-OAQYLSRUSA-N 410.474 3.184 5 40 HGBB Cc1c(C(=O)Nc2cccc(-c3ccc(S(C)(=O)=O)nn3)c2)cccc1[N+](=O)[O-] 15880793 MLWIRXLXKCHQQC-UHFFFAOYSA-N 412.427 3.016 5 40 HGBB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223109452 YOWYGVRGNLTCLX-QGZVFWFLSA-N 403.866 3.344 5 40 HGBB Cn1ccnc1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1ccccc1F 12551060 FXFOCHAVTIAXRV-KRWDZBQOSA-N 404.423 3.072 5 40 HGBB O=C(CSc1nnc(-c2ccncc2)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1 27546079 FEEVCWYQSMWVLY-UHFFFAOYSA-N 421.442 3.092 5 40 HGBB CCN(Cc1ccccc1[N+](=O)[O-])CN1C(=O)C(=O)c2c(Br)cccc21 32926885 HWJNZZSBALDKFU-UHFFFAOYSA-N 418.247 3.366 5 40 HGBB Cc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2NC(=O)OC(C)(C)C)cc1[N+](=O)[O-] 40155780 NQZGHKZHQSTAAT-GJZGRUSLSA-N 413.496 3.017 5 40 HGBB O=C(O)CN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113883766 BNGXJQDHLZCTCG-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB COC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225082631 SBRCNMVNJSHGDG-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc([N+](=O)[O-])cc2)n2nnnc2N1 4878936 HKLCLBLWYOJNAK-GOSISDBHSA-N 405.418 3.126 5 40 HGBB COc1ccccc1OCc1nnc(SCC(=O)c2cccc([N+](=O)[O-])c2)n1C 6452574 RFHNYUKQKXHDQU-UHFFFAOYSA-N 414.443 3.286 5 40 HGBB COC(=O)c1cc(C(=O)NCc2ccc(-c3csc(C)n3)o2)cc([N+](=O)[O-])c1 12619224 URFYPJSVLMJWLW-UHFFFAOYSA-N 401.400 3.336 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Oc2ncnc3ccsc23)c([N+](=O)[O-])c1 24717095 XAVVUPHKWOPRFM-UHFFFAOYSA-N 408.461 3.422 5 40 HGBB COc1cc(CCNC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)c([N+](=O)[O-])cc1OC 32820296 AYTUTHYUHHNQMI-STQMWFEESA-N 400.431 3.469 5 40 HGBB COc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc([N+](=O)[O-])c4)C3=O)co2)cc1 40092773 OPBALNLRUNRYAZ-OAQYLSRUSA-N 422.397 3.226 5 40 HGBB COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)OC[C@@H]1CCC[N+]2(C)CCCC[C@H]12 4082877 HWQOIKLWBXMRDS-VZUYKNSCSA-N 402.511 3.252 5 40 HGBB Cc1cc(NCCCN2C(=O)NC3(CCCC3)C2=O)nc(-c2cccc([N+](=O)[O-])c2)n1 48280024 PKKZPCACBXDAHH-UHFFFAOYSA-N 424.461 3.027 5 40 HGBB COC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O 205773267 AHSMHTMSSGBQBI-OVCLIPMQSA-N 418.383 3.073 5 40 HGBB CS(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(Cl)cc1 218251623 ZGJRATNAKFXVLN-UHFFFAOYSA-N 418.258 3.306 5 40 HGBB COc1ccc(C2=NN(C(=O)Cc3ccc([N+](=O)[O-])cc3)[C@@](O)(C(F)(F)F)C2)cc1 32100985 YHDXAKMDDOOUBZ-SFHVURJKSA-N 423.347 3.033 5 40 HGBB Cc1cc(S(=O)(=O)NCc2ccnc(OC3CCCC3)c2)cc([N+](=O)[O-])c1F 89587224 QVLRNHFNXOBKRE-UHFFFAOYSA-N 409.439 3.237 5 40 HGBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1c1ccccc1 409009026 QZDSPNCYHSVDOI-NTUHNPAUSA-N 404.176 3.160 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)N2CCCC2)ccc1Cl 8286284 VHXRYBVWOSWKAA-UHFFFAOYSA-N 409.851 3.285 5 40 HGBB CCS(=O)(=O)c1ccc(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)nn1 9627025 LPGLYLAOVHCRCI-UHFFFAOYSA-N 412.427 3.098 5 40 HGBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)COc1ccccc1[N+](=O)[O-] 32127680 SBIGMCGUGWNTDF-UHFFFAOYSA-N 424.442 3.395 5 40 HGBB C[C@H](NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2o1)c1ccc2c(c1)OCO2 32777370 XMSJXJZFCNHVHQ-JTQLQIEISA-N 401.400 3.434 5 40 HGBB COc1cccc(-c2noc(CNC(=O)CSCc3ccc([N+](=O)[O-])cc3)n2)c1 218053184 YOMZHCQJVVQRHT-UHFFFAOYSA-N 414.443 3.203 5 40 HGBB CC(=O)Nc1ccc(C(=O)N[C@@H](CC(=O)O)c2cc([N+](=O)[O-])ccc2Cl)cc1 4686947 FMLRHVAIIJWZST-INIZCTEOSA-N 405.794 3.152 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1 5025284 KEMRYBWNOFQJCV-KRWDZBQOSA-N 408.863 3.078 5 40 HGBB CCN(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC(=O)Nc1cc(Cl)ccc1C 6510811 LOODGYXLWOTHJU-UHFFFAOYSA-N 404.854 3.456 5 40 HGBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 8475072 FQELNGGOUIPYJL-UIAACRFSSA-N 419.437 3.349 5 40 HGBB CC(C)c1n[nH]c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)n1 13684637 XFTQRQAYSLSXPM-UHFFFAOYSA-N 400.258 3.330 5 40 HGBB C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCOCC1 23182300 BHBJGJZKUKLUFC-DYVFJYSZSA-N 406.533 3.405 5 40 HGBB O=C(O)c1cc(-c2ccc(/C=C\c3nc(O)[nH]c(=O)c3[N+](=O)[O-])o2)ccc1Cl 33555363 JLYPAIQSUYMBRQ-DJWKRKHSSA-N 403.734 3.166 5 40 HGBB CSc1sc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)nc1C 58157697 DAZVQFOLSNFUTA-VIFPVBQESA-N 410.452 3.212 5 40 HGBB COC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224778097 SVLQIVKUPSZNNB-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB Cc1c(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cccc1[N+](=O)[O-] 6960730 FDPDPTUBEZEGDK-UHFFFAOYSA-N 404.810 3.427 5 40 HGBB COC(=O)COc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792325 CDRAFANCTANWMK-UHFFFAOYSA-N 418.405 3.161 5 40 HGBB biogenic COc1ccc([C@H](CNS(=O)(=O)c2cccc([N+](=O)[O-])c2C)N2CCCC2)cc1 27946826 ACFZLZYNAOJVSV-IBGZPJMESA-N 419.503 3.027 5 40 HGBB CC[C@@H](C(=O)Nc1cccc(C)c1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222516890 BDQBOOXADCJYDU-SFHVURJKSA-N 405.476 3.395 5 40 HGBB O=[N+]([O-])c1ccc(COc2cccc(/C=C\c3nc(O)nc(O)c3[N+](=O)[O-])c2)cc1 409333058 ICKNADPADRUGKZ-TWGQIWQCSA-N 410.342 3.454 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1cccc([N+](=O)[O-])c1 100744072 LXJDECQUUSHPCJ-OYUDYFSCSA-N 406.394 3.350 5 40 HGBB CCNC(=O)c1cccc(CNC(=O)c2cc(F)cc([N+](=O)[O-])c2Br)c1 79064788 YSMVKIKVIMSIAC-UHFFFAOYSA-N 424.226 3.176 5 40 HGBB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406654 BOJNKIRHPJQZBS-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB COc1ccc(-c2nnc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)s2)cc1 225882571 PCJWROLUZPSAJE-UHFFFAOYSA-N 406.445 3.231 5 40 HGBB CCOc1ccc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c([N+](=O)[O-])c1 9441741 WIOQFZIVYCIRHA-UHFFFAOYSA-N 419.743 3.466 5 40 HGBB CSc1sc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)c([N+](=O)[O-])c3)C2)nc1C 58157696 DAZVQFOLSNFUTA-SECBINFHSA-N 410.452 3.212 5 40 HGBB COc1ccc(N(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 58231074 LCMMJQZEGUYJLZ-AWEZNQCLSA-N 424.862 3.091 5 40 HGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c(OC(F)F)c2)CC1)Nc1ccc(F)cc1 78903570 ARWOYFUKMWNZOW-UHFFFAOYSA-N 424.379 3.096 5 40 HGBB CC[C@H](NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 220421617 ZVGJRARDNGKUAZ-BEFAXECRSA-N 419.503 3.325 5 40 HGBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)cc1 223600988 USGQKFWTDXNEIT-MOPGFXCFSA-N 410.455 3.215 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCc1nc(-c2ccc(Cl)cc2)no1 223771701 ZNZSLACIQMXDBF-UHFFFAOYSA-N 408.823 3.085 5 40 HGBB CCc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 224930802 KJKVDAXIUCWIFM-OAHLLOKOSA-N 419.503 3.109 5 40 HGBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])c1 408574435 QPKXLGIMOHJJIA-DHZHZOJOSA-N 409.442 3.134 5 40 HGBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1434646 VHRVTBLOTQPAHU-LJQANCHMSA-N 404.382 3.212 5 40 HGBB CC(C)(C)C(=O)OC[N+](C)(C)CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1 5006055 GALXEIUOWABKPF-QHCPKHFHSA-N 406.543 3.231 5 40 HGBB Cc1ccc(OCc2cccc(-c3nc4c5cn[nH]c5ncn4n3)c2)c([N+](=O)[O-])c1 6788022 OXYWXNBYXVBTNB-UHFFFAOYSA-N 401.386 3.463 5 40 HGBB CCCCOC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1Sc1ncnc2[nH]cnc12 17059241 YNOTZIITTOMOKB-UHFFFAOYSA-N 418.391 3.277 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccccc2)o1 33670937 DWVSVGYWWUVPLU-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 223685944 PVPUFNBLYNDNDI-CQSZACIVSA-N 403.866 3.344 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1ccccc1I 3138911 HJSNWULTCTXDAM-UHFFFAOYSA-N 404.185 3.000 5 40 HGBB COc1cc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c(C)cc1[N+](=O)[O-] 9562238 BXIGNDRQFFBXDC-UHFFFAOYSA-N 419.743 3.384 5 40 HGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@@H](c2ccc(Cl)cc2)n2nnnc2N3)cc1 10296167 ZCRKFZWDQLFVRC-MRXNPFEDSA-N 422.792 3.092 5 40 HGBB COc1cc(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)cc(OC)c1OC 12517163 YHBKHXFKVCWBTQ-UHFFFAOYSA-N 415.446 3.476 5 40 HGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)c1C 12931490 PPWUODWSRXKXAX-MRXNPFEDSA-N 408.462 3.424 5 40 HGBB Cn1ccnc1[C@H](NC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)c1ccccc1 16470941 BIANGZSBAFMMSL-OAQYLSRUSA-N 419.485 3.451 5 40 HGBB CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 18836876 DDYFBCVNWYQNQK-UHFFFAOYSA-N 423.516 3.402 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccccc1F)S(C)(=O)=O 220596092 MNLXAVNMQAMHAX-MRXNPFEDSA-N 409.439 3.226 5 40 HGBB CSc1ccc(COC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 3403988 KRPKBVHEBPZNAF-UHFFFAOYSA-N 400.412 3.046 5 40 HGBB COc1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)c(OC)c1 4120105 DUUPHJRLBFUETK-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB CCN1CCN([C@@H](c2cccs2)[C@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4139431 SLVIKNGUZXJAES-HNAYVOBHSA-N 402.520 3.153 5 40 HGBB O=C([C@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCCCC1 8471653 CEYVFFLTUNKXCP-IBGZPJMESA-N 421.453 3.205 5 40 HGBB CCOc1cc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c([N+](=O)[O-])cc1OC 10771421 UJAIHPJCLWEYTB-UHFFFAOYSA-N 413.430 3.281 5 40 HGBB O=C(CN1CCCN(Cc2ccccc2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 14813099 HDFQJYBEGUHZNL-UHFFFAOYSA-N 402.882 3.395 5 40 HGBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC(C)C)c1 225652149 SFJIBGJUMDQECG-INIZCTEOSA-N 413.474 3.088 5 40 HGBB CC(=O)Nc1ccc(-c2n[nH]c(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)cc1 408637704 NJYUYXMHEBROES-UHFFFAOYSA-N 400.376 3.398 5 40 HGBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1Cl 409248517 GXCMDPRPSALCDS-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB Cc1ccc(C(=O)Nc2ccc(-c3ccc(N4CCOCC4)nn3)cc2)cc1[N+](=O)[O-] 5259334 SJJYLCWHUQGABW-UHFFFAOYSA-N 419.441 3.449 5 40 HGBB O=c1c([N+](=O)[O-])c(NCCCN2CCOCC2)c2ccccc2n1-c1ccccc1 20308691 VGMVOBJLJOASMM-UHFFFAOYSA-N 408.458 3.033 5 40 HGBB COc1cc(OC)cc(-c2nc(S/C(=C\c3ccc([N+](=O)[O-])o3)C(=O)O)n[nH]2)c1 408634269 SYJHZMRIGBQEDP-JYRVWZFOSA-N 418.387 3.208 5 40 HGBB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 3370204 YEDMSBVTTISRLY-LJQANCHMSA-N 417.805 3.082 5 40 HGBB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 4731480 GXIMPRFJKKHUHY-IBGZPJMESA-N 408.414 3.423 5 40 HGBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 6392044 XXXSDVQMSBTLBN-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB Cc1cc(Cl)ccc1Oc1ccc(S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] 6903912 LBWURLGPONYPDZ-UHFFFAOYSA-N 412.851 3.370 5 40 HGBB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(I)cc1 8856245 FKNBAZIOQYAYEU-UHFFFAOYSA-N 412.139 3.150 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1 9097136 XJBASGLIVRXCCS-UHFFFAOYSA-N 416.415 3.310 5 40 HGBB Cc1ccc(-c2noc(CN3CCN(C(=O)c4cccc(C)c4[N+](=O)[O-])CC3)n2)cc1 12755830 ZOXWUVZNAMVFPA-UHFFFAOYSA-N 421.457 3.220 5 40 HGBB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 31467902 HENCEGAPOCWUQD-UHFFFAOYSA-N 413.430 3.181 5 40 HGBB C[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(F)cc1 222367369 DPXYIFZXZFRJIK-AWEZNQCLSA-N 423.466 3.158 5 40 HGBB COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 222603130 BJQSRGFWZBDIPW-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=C(COC(=O)/C=C/c1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1[N+](=O)[O-] 4836436 UZBKHCIXFIVWMA-QHHAFSJGSA-N 404.762 3.172 5 40 HGBB COCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 6624448 NBABOBUUKDUTSG-AWEZNQCLSA-N 415.449 3.122 5 40 HGBB biogenic O=C(c1ccccc1[N+](=O)[O-])N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 9542044 IMYUYKGIOSPTFX-UHFFFAOYSA-N 413.415 3.075 5 40 HGBB CC(C)C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 17089126 MHMFHKFVOGNUMU-UHFFFAOYSA-N 412.446 3.278 5 40 HGBB COc1ccc(OC)c([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2F)c1 32935906 JWCOHVVDJCVFFK-MRXNPFEDSA-N 410.423 3.277 5 40 HGBB COC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 113890278 WYMXUXWXYIFZEQ-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CCOc1cc(C(=S)N2CCOCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 866294 ISQPQLUXSRELCH-UHFFFAOYSA-N 416.455 3.220 5 40 HGBB CC(=O)Nc1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 6073779 WOLJWYFIZBAMIU-UHFFFAOYSA-N 420.337 3.415 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Nc1cc(NC(C)=O)ccc1OC 6507722 IUCWZPAQQHUVGO-LLVKDONJSA-N 402.407 3.010 5 40 HGBB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 10336075 HRLACCIHBBIRNX-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3cc([N+](=O)[O-])ccc3C)C2)s1 23043164 PAIFBYRTXHMUOB-AWEZNQCLSA-N 423.516 3.313 5 40 HGBB COc1ccc2c(c1)OCC(/C=C1/N=C(c3ccc(OC)c([N+](=O)[O-])c3)OC1=O)=C2 96939579 OPRGRRLDSCIOJE-LZYBPNLTSA-N 408.366 3.275 5 40 HGBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1ccc2c(c1)OCO2 2637061 SNSQVAFDJNWMKS-KRWDZBQOSA-N 419.821 3.370 5 40 HGBB COc1cccc(OC)c1NC(=O)[C@@H]1CCCN1C(=O)Nc1ccccc1[N+](=O)[O-] 4981350 JZEOTEDHXMSHOY-HNNXBMFYSA-N 414.418 3.247 5 40 HGBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 5842193 ZKTVOUNQRIVYPR-UHFFFAOYSA-N 416.459 3.081 5 40 HGBB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1cccc([N+](=O)[O-])c1 225729571 QUFXAZQZTMYKOE-UHFFFAOYSA-N 402.204 3.311 5 40 HGBB COCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 9054482 HSHSWJYCZPNDHJ-UHFFFAOYSA-N 416.356 3.091 5 40 HGBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2ccccc2I)c1 14254648 AVCWTYMQGVYRRE-UHFFFAOYSA-N 404.185 3.000 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)c([N+](=O)[O-])c1 15166241 BISPBTWOPXMICI-UHFFFAOYSA-N 418.431 3.468 5 40 HGBB COc1cc(CCNC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)c([N+](=O)[O-])cc1OC 32820291 AYTUTHYUHHNQMI-QWHCGFSZSA-N 400.431 3.469 5 40 HGBB O=C(O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113883507 VETNENWZGKLMAI-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccncc1 9494752 IFHRHVUFLGTKHK-UHFFFAOYSA-N 414.447 3.008 5 40 HGBB C[C@H](OC(=O)Cc1csc(-c2ccccn2)n1)C(=O)Nc1ccccc1[N+](=O)[O-] 22383379 OQFUFAFOHIEZFE-LBPRGKRZSA-N 412.427 3.226 5 40 HGBB Cc1ccccc1C(=O)NC1CCN(c2cc3c(cc2[N+](=O)[O-])CCC(=O)N3)CC1 48290891 BUJMNNRNIBLYRF-UHFFFAOYSA-N 408.458 3.187 5 40 HGBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)O)cc2C)cc1[N+](=O)[O-] 85342960 KTOGGWQTEKKSJM-UHFFFAOYSA-N 403.416 3.127 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1[N+](=O)[O-] 15360787 CDFQYMRISOZFMF-UHFFFAOYSA-N 403.504 3.368 5 40 HGBB Cc1ccn2c(c1)nc(=O)c1cc(S(=O)(=O)N3CCC[C@@H](C)C3)c(Cl)cc12 4708618 HHLHJSYNWPLMLF-CYBMUJFWSA-N 405.907 3.230 5 40 HGBB CC1CCN(c2ccc(C(=O)O[C@H](C)C(=O)NC3CCCC3)cc2[N+](=O)[O-])CC1 4835442 FHQBTAIXOZSGMA-OAHLLOKOSA-N 403.479 3.435 5 40 HGBB O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 6177283 BBCUTXANCOHVCM-UHFFFAOYSA-N 411.439 3.326 5 40 HGBB Cc1sc(NC(=O)C2CC2)c(C(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 7282897 MOKIAZFROZKOFU-UHFFFAOYSA-N 417.443 3.417 5 40 HGBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1)C(=O)c1ccc(Cl)cc1 7881399 SSWZJJRYMLHRCN-JSGCOSHPSA-N 416.817 3.416 5 40 HGBB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@@H]1CCCO1)C2=O)c1cccc([N+](=O)[O-])c1 26586052 QDSAQIOCXPHCTD-GUYCJALGSA-N 424.409 3.288 5 40 HGBB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)o1 409161258 ZWVHTFWQYWTGTE-UHFFFAOYSA-N 416.415 3.302 5 40 HGBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Br)c([N+](=O)[O-])c2)cc1 409180754 VDVLLYFLYLGNJQ-UHFFFAOYSA-N 422.187 3.322 5 40 HGBB O=C1N/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409221695 UYDYIOVCKKJYNS-NTUHNPAUSA-N 418.203 3.156 5 40 HGBB Cc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c(C)c(C)sc2n1 1357323 BFTHRXDBTVOOCK-UHFFFAOYSA-N 411.487 3.487 5 40 HGBB O=C(O)CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccc([N+](=O)[O-])cc1 4576422 YWDFCBMNVJWABN-HXUWFJFHSA-N 406.398 3.395 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1 9541850 FFCOWQNHDLPOAC-UHFFFAOYSA-N 413.415 3.075 5 40 HGBB CC1(C)Cc2cccc(OCC(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2O1 4901213 DHWWXQNCPDGXPY-UHFFFAOYSA-N 411.458 3.036 5 40 HGBB CC(C)OC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7882603 CODOFUNVVGHOBC-OAHLLOKOSA-N 411.414 3.152 5 40 HGBB O=C(CCC(=O)OCC(=O)Nc1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 8416451 BWZOOWGYVIAQAH-UHFFFAOYSA-N 405.794 3.149 5 40 HGBB Cc1nc(SCC(=O)N(C)[C@@H](C)c2cccc([N+](=O)[O-])c2)c(C(N)=O)c(C)c1C 25835826 ZJHJDKFJUYISNU-AWEZNQCLSA-N 416.503 3.326 5 40 HGBB C[C@H](OC(=O)c1cccc2c1OCCN2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 89553073 FTAOLTKZYNSLTB-JTQLQIEISA-N 405.794 3.237 5 40 HGBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cccc([N+](=O)[O-])c2)c(F)c1F 408627730 NHHORWNNZWHJES-UHFFFAOYSA-N 403.313 3.287 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cccn(Cc2cccc([N+](=O)[O-])c2)c1=O 5270769 SBJWWDLOERGEIX-UHFFFAOYSA-N 408.370 3.274 5 40 HGBB COP(=O)(OC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1cccnc1 16806335 BONYGBNLTZGUFH-UHFFFAOYSA-N 404.319 3.368 5 40 HGBB C[C@@H](C(=O)NC1CCCC1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 57517103 CIJCUAFFKGEBCR-ZDUSSCGKSA-N 414.428 3.183 5 40 HGBB C[C@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57561354 QQOZTRPMWFKNCP-OAHLLOKOSA-N 423.448 3.431 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N[C@@H]3CCCC[C@@H]3O)c([N+](=O)[O-])c2)CC1 58162256 BNRIFWCNXOVVPQ-KWVKDNTJSA-N 411.524 3.167 5 40 HGBB CCOC(=O)CN(C)[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1 60329983 HHLJYVGORFNMIJ-SFHVURJKSA-N 405.838 3.423 5 40 HGBB Cc1ccccc1-c1nc(CNS(=O)(=O)c2c(C)cc([N+](=O)[O-])cc2C)no1 95946061 UBDWLEFONGFYKD-UHFFFAOYSA-N 402.432 3.049 5 40 HGBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccc(F)cc1)S(C)(=O)=O 218456036 WUNFDTJMRRFTHF-JTQLQIEISA-N 415.830 3.181 5 40 HGBB CC[C@@H](C(=O)N[C@@H](C)c1ccc(F)cc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222529230 ILTQQVXZOARZIB-UGSOOPFHSA-N 423.466 3.156 5 40 HGBB O=C(Oc1cccc(C(=S)N2CCOCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 4677204 UCBGGVAFVQOWFF-UHFFFAOYSA-N 406.847 3.475 5 40 HGBB O=C(c1cc([N+](=O)[O-])ccc1Oc1ccccc1)N1CCN(c2ncccn2)CC1 48333911 SQSYXHPIHBAGMB-UHFFFAOYSA-N 405.414 3.140 5 40 HGBB CC[C@H](C(=O)NCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534560 PHAJJKXTZDBHFJ-GOSISDBHSA-N 419.503 3.073 5 40 HGBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccccc1 7093547 ZRXPOOBIIUJECV-UHFFFAOYSA-N 404.879 3.085 5 40 HGBB CN(Cc1ccc(Cl)cc1Cl)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 12765950 AJCRPRUNMQUPTO-UHFFFAOYSA-N 422.224 3.156 5 40 HGBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCC(C(=O)NCc3ccccc3)CC2)c1C 15543623 CHQWHDBVDMMISC-UHFFFAOYSA-N 424.501 3.179 5 40 HGBB CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)N[C@H](C)c1ccccc1 20051756 GYWPFQVYUVZJTA-OAHLLOKOSA-N 401.470 3.474 5 40 HGBB COc1ccc(NC(=O)CNc2cccc(OC[C@@H]3CCCO3)c2)c([N+](=O)[O-])c1 40062837 YPYQBUBRUGLZFQ-KRWDZBQOSA-N 401.419 3.212 5 40 HGBB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57554084 YGCKCODLEZCWDL-HNNXBMFYSA-N 423.448 3.431 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 4195734 GJCVLNBCDWBENC-SLDRDFCHSA-N 406.394 3.350 5 40 HGBB COC(=O)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(C(F)(F)F)c2)c1 12536298 OAFMCILBXXXMOA-UHFFFAOYSA-N 404.322 3.201 5 40 HGBB Cc1cccc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)c1[N+](=O)[O-] 12745515 AFNIZUWFEQKBFM-UHFFFAOYSA-N 410.426 3.410 5 40 HGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1ccccc1Cl 15940538 RYUQNHYZSLFAHJ-UHFFFAOYSA-N 404.806 3.125 5 40 HGBB Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc([N+](=O)[O-])cc3O)C2=O)cc1 16921105 YSGBZSGLAUKVNE-PXNMLYILSA-N 413.411 3.284 5 40 HGBB Cc1c(NC(=O)CN(c2cccc(OC(C)C)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220107284 QIGFHVRMVCMJDP-UHFFFAOYSA-N 421.475 3.095 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(F)cc2)cc1 4853906 WWEJOOKQEYCFTC-IBGZPJMESA-N 401.419 3.329 5 40 HGBB Cc1cccc(-n2nnnc2SCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])c1 5959737 STOXQYIFNRGBQG-UHFFFAOYSA-N 404.839 3.263 5 40 HGBB C[C@@H](NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1)c1ccccc1 8417255 JHOZXAQJLIJUGZ-OAHLLOKOSA-N 413.430 3.124 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCCC2)cc1 33018888 QEQBNCJDNZUTHU-UHFFFAOYSA-N 403.460 3.330 5 40 HGBB Cc1nccc(-c2cccc(NC(=O)N3CCN(c4ccc([N+](=O)[O-])nc4)CC3)c2)n1 58146205 MWNMMYHSBVXSLT-UHFFFAOYSA-N 419.445 3.109 5 40 HGBB COc1cc(OC)c(/C=C/S(=O)(=O)Cc2ccc(OC)c([N+](=O)[O-])c2)c(OC)c1 71335275 XGRXGRFTLPXXAZ-BQYQJAHWSA-N 423.443 3.215 5 40 HGBB Cc1ccc(Cl)cc1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220027293 ZWOGUYHTYUPIQG-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CCOc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220380631 PWNMSYMYDOALQR-CQSZACIVSA-N 421.475 3.095 5 40 HGBB O=C(CNc1cccc([N+](=O)[O-])c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O 1635936 FYDLBNBDHQYMSQ-UHFFFAOYSA-N 415.409 3.154 5 40 HGBB COc1ccc(C(C)(C)C)cc1NC(=O)Cn1cnc2cc([N+](=O)[O-])ccc2c1=O 3421506 RKZKDBZIENKYDS-UHFFFAOYSA-N 410.430 3.250 5 40 HGBB Nc1nc(NC[C@H]2CCCO2)nc(N2CCC(Cc3ccccc3)CC2)c1[N+](=O)[O-] 4306262 LIMBUYREDZKLTH-QGZVFWFLSA-N 412.494 3.017 5 40 HGBB COc1ccc(Cc2nnc3n2N=C(c2ccc([N+](=O)[O-])cc2)CS3)cc1OC 4851856 JZMDUQAFBZNYBI-UHFFFAOYSA-N 411.443 3.152 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccccc1Br 8902347 IOHKXYULYMGGDX-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB Cc1ccc(Cn2c(CO)cnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 10336234 CKXKLLHMMQQOKP-UHFFFAOYSA-N 412.471 3.371 5 40 HGBB COc1ccc(NC(=O)CNc2ccc(C(=O)NC(C)(C)C)cc2)c([N+](=O)[O-])c1 24256682 CGRKDSZIOQVSSC-UHFFFAOYSA-N 400.435 3.182 5 40 HGBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1 34719115 GLAIRPVSIUHLHR-WEVVVXLNSA-N 423.381 3.090 5 40 HGBB CC1(C)CC(=O)c2cc(C(=O)NCc3cc([N+](=O)[O-])ccc3Cl)c(=O)[nH]c2C1 79093635 MFSOCBGLJRTLGE-UHFFFAOYSA-N 403.822 3.022 5 40 HGBB Cc1ccc(C)c(NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220378548 XMIYGLWBICGGDK-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB O=C(Nc1ccc([N+](=O)[O-])cc1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187219 SESNDBIXKLHKOP-GFCCVEGCSA-N 415.880 3.102 5 40 HGBB CN(C)S(=O)(=O)c1cccc(COC(=O)c2ccc(C(C)(C)C)c([N+](=O)[O-])c2)c1 12820131 QOAUJRGHPNHXMH-UHFFFAOYSA-N 420.487 3.500 5 40 HGBB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 12923611 ZWDUCVYNVFRBCI-CYBMUJFWSA-N 414.853 3.460 5 40 HGBB Cc1cc(N2CCOCC2)ccc1NC(=O)c1ccn(-c2cccc([N+](=O)[O-])c2)n1 25274652 NAJJAOKNBIKRAG-UHFFFAOYSA-N 407.430 3.178 5 40 HGBB O=C(COc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCCOc1ccccc1F 59417133 BRURWCYWBRPKKY-UHFFFAOYSA-N 402.300 3.327 5 40 HGBB CCOC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225070314 GGWRKLLBGPQXQY-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB CCOP(=O)(OCC)/C(=C/n1c(S)nc2ccc([N+](=O)[O-])cc21)C(=O)OC 1636747 QNBZXWZURAUMSU-UKTHLTGXSA-N 415.364 3.471 5 40 HGBB COC(=O)c1ccccc1NC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 42736560 IHLKTOXQWVUBPE-UHFFFAOYSA-N 418.837 3.389 5 40 HGBB COc1cc(NC(=O)CSc2nnc3[nH]c4ccccc4n23)c(C)cc1[N+](=O)[O-] 9512125 ZHGQCORUXRKAPF-UHFFFAOYSA-N 412.431 3.167 5 40 HGBB Cc1ccc(Cl)cc1N1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2C)CC1 14399459 FTDRCHXOOOLFBB-UHFFFAOYSA-N 409.895 3.376 5 40 HGBB CCC(CC)[C@@H](CNC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCOCC1 24483039 HFFCOHNYMZKFLN-OAQYLSRUSA-N 418.538 3.062 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCC1 408595444 QGTVZBNAEHXKRD-UHFFFAOYSA-N 403.460 3.248 5 40 HGBB CNC(=O)c1c(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 16189294 UDGPNWPBTDAZMZ-UHFFFAOYSA-N 418.500 3.022 5 40 HGBB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)cc1 19929321 CKYLRTOVWGAQBE-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O 27021255 ZQJNWJYEPDWOEA-CQSZACIVSA-N 407.426 3.018 5 40 HGBB CN1CCN(c2ccc(Cl)cc2NC(=O)c2n[nH]c3ccc([N+](=O)[O-])cc23)CC1 32332187 OIXXGBDGLSZQTK-UHFFFAOYSA-N 414.853 3.129 5 40 HGBB Nn1c(SCCOc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(OC(F)F)cc1 40127407 QNSUCLYQUGTYRT-UHFFFAOYSA-N 423.401 3.340 5 40 HGBB COCC[C@@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 58179237 CNQZAYCETXEXOS-GFCCVEGCSA-N 403.401 3.371 5 40 HGBB Cc1c(N(CC(=O)O)S(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] 225062010 NPUGEUJALPFMOU-UHFFFAOYSA-N 400.412 3.336 5 40 HGBB O=C(Cc1cccs1)N[C@@H]1CCCC[C@]12CN(Cc1ccc([N+](=O)[O-])o1)CCO2 306129874 IPFWVSZVAQDAFU-XLIONFOSSA-N 419.503 3.122 5 40 HGBB CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 1759818 GMDNMQPTZZXDTE-GOSISDBHSA-N 416.430 3.480 5 40 HGBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCCOC 2407957 NSBVZZQRUGXYPB-UHFFFAOYSA-N 409.490 3.066 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnnn1-c1ccc(C)cc1 3498523 CCUKBKGECMJYBS-LBPRGKRZSA-N 414.447 3.007 5 40 HGBB COc1cc(C=O)ccc1Oc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 3886632 ZNSVDZWNRNZRNI-UHFFFAOYSA-N 420.443 3.383 5 40 HGBB COc1ccc(S(=O)(=O)Nc2c([N+](=O)[O-])cc([N+](=O)[O-])c3ccccc23)cc1 5395377 JHHWBYQRZKAYDO-UHFFFAOYSA-N 403.372 3.466 5 40 HGBB Cc1cc(C(=O)NCC(=O)OCc2nc3ccccc3n2C(F)F)ccc1[N+](=O)[O-] 25376601 PJXMZRZRGCGAGT-UHFFFAOYSA-N 418.356 3.121 5 40 HGBB CCOc1cc(/C=C2/NC(=O)NC2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 408916942 JDRDZQFEKBUGIB-OVCLIPMQSA-N 417.805 3.406 5 40 HGBB C[C@@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccccc1Cl 12563386 UYXBXXLLCOIWQV-CQSZACIVSA-N 402.882 3.491 5 40 HGBB Cc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc([N+](=O)[O-])cc2O)C1=O 16920891 LNHHVNRNTQITLO-PXNMLYILSA-N 413.411 3.284 5 40 HGBB COc1ccc([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)cc1 23409345 KJWHCROJKQUUPL-LJQANCHMSA-N 419.865 3.060 5 40 HGBB COc1ccc(CN(C)C(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1F 24696154 HYRLFHANNMLXGB-UHFFFAOYSA-N 410.785 3.211 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN(C)Cc1ccccc1N1CCOCC1 26336465 ZCZGQGISAQJZFN-UHFFFAOYSA-N 412.490 3.200 5 40 HGBB COc1ccc([C@H](C)NC(=O)c2ccc3nc4ccccc4c(=O)n3c2)cc1OC 57477713 QMCAIQRHLSYJQO-AWEZNQCLSA-N 403.438 3.356 5 40 HGBB COc1cc([N+](=O)[O-])ccc1S(=O)(=O)N(Cc1ccccc1)c1nccs1 83923718 VSUNBGGGIQGMCJ-UHFFFAOYSA-N 405.457 3.455 5 40 HGBB CCOC(=O)c1cc(NC(=O)COc2ccc([N+](=O)[O-])c(OC)c2)ccc1Cl 219826888 SVQYTQXHVNZHGF-UHFFFAOYSA-N 408.794 3.451 5 40 HGBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3ccc([N+](=O)[O-])cc3)n2C)cc1 2200564 OBHLHGYRQWLNKH-UHFFFAOYSA-N 411.443 3.324 5 40 HGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O 4307110 ZGRAOKRONTYSLK-KPCCXISESA-N 411.458 3.147 5 40 HGBB COc1ccc2cc(CN(C)C(=O)CNC(=O)c3cccc([N+](=O)[O-])c3)ccc2c1 8360858 ZXCUMQRZDFRESG-UHFFFAOYSA-N 407.426 3.145 5 40 HGBB O=C1C[C@H](C(F)(F)F)N(C(=O)COc2ccc([N+](=O)[O-])cc2)c2ccccc2N1 21312643 KMQIUOGVUHIIIW-OAHLLOKOSA-N 409.320 3.280 5 40 HGBB O=[N+]([O-])c1ccc(N2CC[C@H](Nc3ccccc3)C2)c(S(=O)(=O)N2CCCC2)c1 58264169 BTNCIARNSAVBHP-KRWDZBQOSA-N 416.503 3.070 5 40 HGBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O)c1ccc(C)cc1 220036320 MJUYXRIXPYJTTC-QGZVFWFLSA-N 419.503 3.245 5 40 HGBB COC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc([N+](=O)[O-])cc1 12871400 XZNGFFGFJILKKX-GOSISDBHSA-N 411.370 3.041 5 40 HGBB CSc1ccc([N+](=O)[O-])c(C(=O)NCc2ccccc2CN2CCOCC2)c1 32210423 WFAJNSYWCWFAAS-UHFFFAOYSA-N 401.488 3.079 5 40 HGBB COc1ccc(-c2noc(CNC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)n2)c(OC)c1 217874301 QETFJSRKJNTHDD-UHFFFAOYSA-N 418.793 3.245 5 40 HGBB CC[C@H](C(=O)Nc1c(C)cccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513559 OOHZYDWFQZKEKT-QGZVFWFLSA-N 405.476 3.395 5 40 HGBB COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)OC[C@H]1CCC[N@@+]2(C)CCCC[C@@H]12 1565535409 HWQOIKLWBXMRDS-VEBTWNLUSA-N 402.511 3.252 5 40 HGBB COCCNc1ccc(-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1[N+](=O)[O-] 20897790 SOBARJMBUNVLJJ-UHFFFAOYSA-N 400.391 3.387 5 40 HGBB COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113883510 KXAZQSOSHPBYIJ-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB Cc1ccc([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C 220423424 LDNVBOIYZCAQQL-JKSUJKDBSA-N 419.503 3.244 5 40 HGBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc3c(c2)OCO3)cc1 408565267 BLUNMNIXBKWOIU-GOSISDBHSA-N 414.443 3.423 5 40 HGBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)NC(=O)NC1CCCCC1 3383378 BDLQJOLPSUPWII-UHFFFAOYSA-N 415.402 3.170 5 40 HGBB aggregator COc1ccc(CC(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1OC 4120126 AHGRMXVTYFMEMA-UHFFFAOYSA-N 415.471 3.286 5 40 HGBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C\c1cc2c(cc1Br)OCO2 8387314 PVSUNDNRMDVJCM-ACAGNQJTSA-N 417.171 3.431 5 40 HGBB Nc1nc(N2CCN(Cc3ccccc3)CC2)nc(Nc2ccccc2F)c1[N+](=O)[O-] 20291519 SIIGOGBHZRDUQY-UHFFFAOYSA-N 423.452 3.172 5 40 HGBB C[C@@H](C(=O)Nc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57452448 ZVHMTLLMDWMQMU-INIZCTEOSA-N 405.458 3.292 5 40 HGBB CN(C)CCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225563449 INNCNYMWQVKJOQ-UHFFFAOYSA-N 413.474 3.222 5 40 HGBB COc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2OC)C1 408645936 VDTKINAOUGGECO-LLVKDONJSA-N 419.821 3.257 5 40 HGBB COC(=O)c1nn(-c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1[N+](=O)[O-] 20137895 YPZXTIMGKKPHAO-UHFFFAOYSA-N 411.271 3.182 5 40 HGBB O=C(COc1ccc(Br)cc1)N1CCN=Cc2cc([N+](=O)[O-])ccc21 73642444 DNEXGBPGSUGWOJ-UHFFFAOYSA-N 404.220 3.202 5 40 HGBB O=C(OCc1ccccc1[N+](=O)[O-])c1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1 409178695 HMYNTIDYXPZJNC-QZTJIDSGSA-N 406.394 3.407 5 40 HGBB Cc1nn(Cc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc2)c(C)c1[N+](=O)[O-] 686951 PWZDBRCAFBEWGH-UHFFFAOYSA-N 419.485 3.419 5 40 HGBB COCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nc2ccccc21 2620029 BFCDCPSRJBIZEX-UHFFFAOYSA-N 416.459 3.330 5 40 HGBB C[C@H](OC(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1)C(=O)NC1CCCCC1 5968851 BWBDBERLUCNFQI-HNNXBMFYSA-N 403.479 3.192 5 40 HGBB C[C@H]1CCc2sc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C(N)=O)c2C1 11617386 SQBNSTJPULIBGK-QMMMGPOBSA-N 404.404 3.041 5 40 HGBB C[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)OCCOc1ccccc1F 11775694 AZJILMRLCPVHJY-NSHDSACASA-N 410.785 3.128 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2ccc(O)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1F 34910324 VOUUTNIAPXTDBA-NVNXTCNLSA-N 417.374 3.115 5 40 HGBB C[C@@H](NC(=O)CSCc1ccc([N+](=O)[O-])cc1)c1ccc(S(C)(=O)=O)cc1 223839479 QLHXVZVCCWZWHF-CYBMUJFWSA-N 408.501 3.109 5 40 HGBB CCOC(=O)CN(c1ccc(OC(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224761924 KGIHAORQRVPRPZ-UHFFFAOYSA-N 422.459 3.140 5 40 HGBB Cc1c(NC(=O)c2ccc([N+](=O)[O-])cc2)c(NC(=O)c2ccc([N+](=O)[O-])cc2)nn1C 2278701 WKBYVCPZZXFNQW-UHFFFAOYSA-N 424.373 3.050 5 40 HGBB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])ccc2NCCO)c(C)c1 6533013 RAHGUVSBOSWMLU-HNNXBMFYSA-N 415.446 3.108 5 40 HGBB COC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 6904241 VZGUYVSSJKVVGI-UHFFFAOYSA-N 414.399 3.162 5 40 HGBB Cc1cc(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)ccc1[N+](=O)[O-] 12749918 YVXMUNUTIYNKGM-UHFFFAOYSA-N 410.426 3.410 5 40 HGBB O=c1c2cc3c(=O)n(-c4ccn[nH]4)ccc3nc2ccn1Cc1ccccc1Cl 40399065 OZAVISJZOAAIEF-UHFFFAOYSA-N 403.829 3.125 5 40 HGBB Cc1ccc(NC(=O)c2cccn3c(I)cnc23)cc1[N+](=O)[O-] 79022925 ZVRKQMINTHVHDN-UHFFFAOYSA-N 422.182 3.408 5 40 HGBB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1ccc([S@](C)=O)cc1 89904915 GKUNXMVZNPPOBF-VKTRGTBVSA-N 402.881 3.025 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 408583302 HDMXWSWZDKSNNF-UHFFFAOYSA-N 405.476 3.398 5 40 HGBB Cc1c(NC(=O)CN(c2cccc3ccccc23)S(C)(=O)=O)cccc1[N+](=O)[O-] 8331010 IRKLLLCBEDOTRJ-UHFFFAOYSA-N 413.455 3.461 5 40 HGBB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20142671 OEPUUVOWUHDUQN-UHFFFAOYSA-N 405.794 3.035 5 40 HGBB Cn1c(=O)n(C)c2cc(N3CCCCC3)c(NC(=O)Nc3ccccc3[N+](=O)[O-])cc21 20178651 KKBSXWXNMZMPBQ-UHFFFAOYSA-N 424.461 3.420 5 40 HGBB O=C1[C@H]2ON=C(c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 103560732 SDGHOJSHRSGDFO-ZFWWWQNUSA-N 406.181 3.194 5 40 HGBB CCN(CCO)C[C@H](C)Nc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12 4707077 RCBZMNRNGFRNBY-ZDUSSCGKSA-N 401.488 3.438 5 40 HGBB Cc1nn(CC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)c(C)c1[N+](=O)[O-] 7407302 TUKTXZOLMWJPEA-UHFFFAOYSA-N 409.450 3.032 5 40 HGBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)O)cc3c3ccnc2c31 20759131 XXGXSJUCTJLZFO-UHFFFAOYSA-N 404.378 3.073 5 40 HGBB biogenic CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@H]1C[C@@H]2C[C@H]3C[C@H]1C[C@H]2C3 100727460 BTUZUIDUPGWLIR-PJVZLEMVSA-N 416.542 3.291 5 40 HGBB Cc1c([N+](=O)[O-])cnc(NCc2ccc3c(c2)CCS3(=O)=O)c1Br 544396431 BKOPYCGKYDMDCY-UHFFFAOYSA-N 412.265 3.003 5 40 HGBB O=c1nc2n(-c3cccc(C(F)(F)F)c3)c3ccc([N+](=O)[O-])cc3cc-2c(=O)[nH]1 5613813 XAAMULAZIAWWMX-UHFFFAOYSA-N 402.288 3.106 5 40 HGBB Cc1c(NC(=O)C2CCN(S(=O)(=O)c3cccs3)CC2)cccc1[N+](=O)[O-] 8268171 JBLVYBYHFWHHQS-UHFFFAOYSA-N 409.489 3.004 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CCN(c2cccc(Cl)c2)CC1 58124103 MLLDGTCOPDZNAJ-AWEZNQCLSA-N 418.881 3.406 5 40 HGBB CC[C@@H](C(=O)Nc1cccc(OC)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222532767 UCSSFMJIUZUZOL-KRWDZBQOSA-N 421.475 3.095 5 40 HGBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223600752 ZQLRCUROWCWLFG-MOPGFXCFSA-N 410.455 3.215 5 40 HGBB COc1ccc(OCC(=O)N(C)Cc2ccc(Br)cc2)c([N+](=O)[O-])c1 9885251 NTTCMPKEAGKEOF-UHFFFAOYSA-N 409.236 3.403 5 40 HGBB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)Nc1ccc([N+](=O)[O-])cc1Cl 12877087 USTUBIVWSNZVLA-UHFFFAOYSA-N 422.913 3.301 5 40 HGBB O=C(NC(=S)Nc1ccc(Cl)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17092462 IZQXFQMLTBRANW-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB O=C(c1n[nH]c2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 23558927 DQFNWSRDXBZZSI-UHFFFAOYSA-N 419.363 3.452 5 40 HGBB Cc1ccc(-n2ncc(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2C)cc1 24770649 LRKDLMVMESGWKX-UHFFFAOYSA-N 405.458 3.360 5 40 HGBB Cc1c(Cl)cccc1N1C[C@@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 408642434 DVMPZXAEJFLFAQ-AWEZNQCLSA-N 416.817 3.336 5 40 HGBB COc1ccc(C(=O)N2CCN=C2SCc2ccc([N+](=O)[O-])cc2)cc1OC 4120106 JRSWPYJUQLQMNH-UHFFFAOYSA-N 401.444 3.357 5 40 HGBB O=[N+]([O-])c1ccc(-c2nnc(O)c3c2[C@H](c2ccccc2Cl)n2nnnc2N3)cc1 10296188 PVIBOXXLUKFFAM-INIZCTEOSA-N 422.792 3.092 5 40 HGBB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 13145991 MUOWXCPLBROIFE-UHFFFAOYSA-N 421.400 3.305 5 40 HGBB C[C@]12CC3CC(NC(=O)c4ccc(N5CCNCC5)c([N+](=O)[O-])c4)(C1)C[C@](C)(C3)C2 100315345 NZWRVXMQYHWDNI-AYVAEDQWSA-N 412.534 3.483 5 40 HGBB CCOC(=O)Cn1/c(=N/C(=O)c2ccc([N+](=O)[O-])o2)sc2c(C)cc(C)cc21 100910544 MPMUGGJONPMLLF-HNENSFHCSA-N 403.416 3.125 5 40 HGBB CC[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(C)c([N+](=O)[O-])c2)C1)C(=O)c1ccccc1 408640119 AJTSIRLELNSILD-VQIMIIECSA-N 410.426 3.461 5 40 HGBB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 408661812 HWZCFYCTFSOWSM-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB CC[N+](CC)(CC)CCOC(=O)CCCCC(=O)OCC[N+](CC)(CC)CC 4646659 LKBCGOJIUNCKFM-UHFFFAOYSA-N 402.620 3.386 5 40 HGBB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1C 5443717 CLWBEJOYCMGOIF-UHFFFAOYSA-N 421.475 3.195 5 40 HGBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2N)cc1[N+](=O)[O-] 9442100 JNQUMCSDWPKURI-UHFFFAOYSA-N 418.866 3.260 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCCc1cn2ccccc2n1 12547421 LKZGBFSSBIHYOJ-UHFFFAOYSA-N 414.365 3.191 5 40 HGBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2Cl)CC1 17090888 PDTAFABXXBKNLL-UHFFFAOYSA-N 416.865 3.477 5 40 HGBB O=[N+]([O-])c1ccccc1[C@@H]1c2c(-c3ccc(Cl)cc3)nnc(O)c2Nc2nnnn21 111999922 VLQLALRWOSQUJA-MRXNPFEDSA-N 422.792 3.092 5 40 HGBB CCc1ccccc1NC(=O)[C@H]1CCCN1C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 5477452 MCQGZVQRRFTPLN-GOSISDBHSA-N 412.402 3.309 5 40 HGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NC[C@@H]1CCCO1 9376063 HBDAZADLUICDFO-FQEVSTJZSA-N 406.442 3.285 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCCCCC1)n1cc(Cl)ccc1=O 9762968 XVTXYVSBDWPZSA-SFHVURJKSA-N 417.849 3.237 5 40 HGBB CC(C)[C@@H](CNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])N1CCCC1 12522939 AXUXTPWBBFFWLQ-GOSISDBHSA-N 412.556 3.204 5 40 HGBB CN(C)C[C@H](CNC(=O)Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](O)c1ccccc1 58145394 XMLZHAIVQDTSHD-KSSFIOAISA-N 406.870 3.281 5 40 HGBB O=c1c2c3nc4ccccc4nc3n(Cc3ccco3)c2ncn1C[C@H]1CCCO1 2250254 WKCNIEGXWSEABO-CQSZACIVSA-N 401.426 3.115 5 40 HGBB O=C(O)C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)c1ccccc1[N+](=O)[O-] 9958327 QJCLHVPLLULAMA-LBPRGKRZSA-N 419.242 3.396 5 40 HGBB COP(=O)(OC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccco1 16806649 IFRVLZDCXCEMQG-UHFFFAOYSA-N 407.319 3.490 5 40 HGBB O=C(C[C@@H]1C(=O)Nc2nc(-c3ccc(Cl)cc3)nn21)Nc1ccc([N+](=O)[O-])cc1 20738873 MEBRYLGSJLTYIL-CQSZACIVSA-N 412.793 3.029 5 40 HGBB COc1ccc2[nH]c(C)c(C(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2c1 36174112 PTGIQFQHELRGEY-UHFFFAOYSA-N 408.458 3.398 5 40 HGBB COc1ccccc1N1CCN(CC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)CC1 57363860 OQPADZIHNAEBET-UHFFFAOYSA-N 404.854 3.018 5 40 HGBB COc1ccc(Cc2nnc(NC(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC 96298259 YCYCMNVIBRFXQX-UHFFFAOYSA-N 400.416 3.307 5 40 HGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 224772745 GOOKMVOWDBMIIN-UHFFFAOYSA-N 418.349 3.202 5 40 HGBB COc1cc(OC)cc(C(=O)NC(=S)Nc2cc([N+](=O)[O-])cc(Cl)c2O)c1 2369191 HAZDEMXCHJOGCL-UHFFFAOYSA-N 411.823 3.098 5 40 HGBB O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]12 4852557 UZUZWSQZFIGCNM-XABBQPORSA-N 411.417 3.496 5 40 HGBB CCOC(=O)c1c(NC(=O)COc2ccc(C)nc2[N+](=O)[O-])sc(CC)c1C 9509367 FMLSYHPRRSNVCO-UHFFFAOYSA-N 407.448 3.425 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@@H](c3nc(-c4cccs4)no3)C2)cc1 13083991 SENQERONIKJGBS-GFCCVEGCSA-N 420.472 3.275 5 40 HGBB Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 15881362 PQFYRDFZYBFBMA-UHFFFAOYSA-N 419.372 3.389 5 40 HGBB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NC[C@@H](O)c1ccc([N+](=O)[O-])cc1 22061492 XWFZATSFXFJQPY-QGZVFWFLSA-N 414.849 3.265 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1cccc(F)c1 409253077 YOOQAGOZCWONKM-OVCLIPMQSA-N 401.375 3.409 5 40 HGBB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 4742033 NSPSVPODBQLNMY-IBGZPJMESA-N 408.414 3.423 5 40 HGBB Cc1nc2cc([N+](=O)[O-])ccc2c(=O)n1-c1ccc(Br)cc1[N+](=O)[O-] 5510110 DFGQLRKMANAWHX-UHFFFAOYSA-N 405.164 3.273 5 40 HGBB Cn1cnnc1Sc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1[N+](=O)[O-] 6646513 WXNKOGQYAVZEMB-UHFFFAOYSA-N 403.851 3.458 5 40 HGBB C[C@@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)N1CCC(C(=O)N2CCCCC2)CC1 8851725 QGDJCUFMAXDBAT-OAHLLOKOSA-N 405.520 3.327 5 40 HGBB Nc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1[N+](=O)[O-] 9157582 SBSRMGMZLPVLNU-UHFFFAOYSA-N 413.386 3.014 5 40 HGBB CC(C)[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCCCC1 32829336 IJAZTVONQUTYBL-NRFANRHFSA-N 418.538 3.380 5 40 HGBB CN(C(=O)c1cn(-c2cccc([N+](=O)[O-])c2)nn1)C1CCN(c2cccc(F)c2)CC1 72303195 JRSYZTOLNUKIOA-UHFFFAOYSA-N 424.436 3.056 5 40 HGBB CCOc1ccc([C@@H](N)c2n[nH]c(-c3cc([N+](=O)[O-])ccc3OC)n2)cc1OCC 95534619 PTEHOCSAFANOHG-GOSISDBHSA-N 413.434 3.234 5 40 HGBB CC[C@@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 220421682 ZVGJRARDNGKUAZ-HNAYVOBHSA-N 419.503 3.325 5 40 HGBB COCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 4731481 GXIMPRFJKKHUHY-LJQANCHMSA-N 408.414 3.423 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(OCc2nc3ccccc3o2)c([N+](=O)[O-])c1 7427669 FNBWLQGBXMEMSB-UHFFFAOYSA-N 405.432 3.346 5 40 HGBB CCC[C@H]1N(C)c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1)C2=O 9433935 WAKKQIBHJFCIGR-XMSQKQJNSA-N 422.441 3.025 5 40 HGBB COc1ccc(OC)c(CCC(=O)Nc2cc3c(cc2[N+](=O)[O-])OCCCO3)c1 12731660 AHHZBSURWQUWGQ-UHFFFAOYSA-N 402.403 3.345 5 40 HGBB COc1cc(OC)c(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1OC 13102255 CGIMRWCDJPQSCL-UHFFFAOYSA-N 415.358 3.028 5 40 HGBB O=C1NN(c2ccc([N+](=O)[O-])cc2)C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]12 4852558 UZUZWSQZFIGCNM-QZNJRLLKSA-N 411.417 3.496 5 40 HGBB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1cccc([N+](=O)[O-])c1 4939893 DFDZJKFNEQQJNX-UHFFFAOYSA-N 405.414 3.141 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc2ccccc12)S(C)(=O)=O 14412922 ODTKYZKOYQAWAV-UHFFFAOYSA-N 413.455 3.461 5 40 HGBB COc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)cc1[N+](=O)[O-] 3257225 KXFZIBHBFKLNDX-UHFFFAOYSA-N 400.174 3.101 5 40 HGBB Cc1ccc(NC(=O)COC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c([N+](=O)[O-])c1 4989064 LPDKZAWQRIYWRO-QGZVFWFLSA-N 414.414 3.257 5 40 HGBB CN(C)CCN(C(=O)Cc1ccc(F)cc1)c1nc2ccc([N+](=O)[O-])cc2s1 5268254 GBPGDJJPDRFUPQ-UHFFFAOYSA-N 402.451 3.481 5 40 HGBB O=C(c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)N1CCCCCC1 9356447 LEMDBEOJMZILHQ-UHFFFAOYSA-N 403.460 3.412 5 40 HGBB CC[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(c1ccccc1)S(C)(=O)=O 13711770 VOFHYQLJYBTLIN-MRXNPFEDSA-N 411.867 3.432 5 40 HGBB CCOC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113895146 JHESUTSNZPYRGH-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB CCN1CCN([C@@H](c2cccs2)[C@@H](C)NC(=O)c2ccc([N+](=O)[O-])cc2)CC1 4139428 SLVIKNGUZXJAES-DNVCBOLYSA-N 402.520 3.153 5 40 HGBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1[N+](=O)[O-] 214648228 WPIFVIMJIRWPTE-MHWRWJLKSA-N 413.411 3.278 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c(C)c1 220036184 YGVPHSUKOXZIAW-MRXNPFEDSA-N 419.503 3.163 5 40 HGBB CCc1ccc(N([C@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 220276712 NWZWQTQBNOBPRV-CQSZACIVSA-N 405.476 3.259 5 40 HGBB O=C(c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408607281 KMHRJIGEVGKWSS-SFHVURJKSA-N 410.430 3.166 5 40 HGBB COc1cc(/C=C/c2nc3nc[nH]n3c(=O)c2[N+](=O)[O-])ccc1OCc1ccccc1 1505840561 BQEAJRANHADJHQ-VQHVLOKHSA-N 419.397 3.084 5 40 HGBB CCn1c(=O)c([N+](=O)[O-])c(N2CCN(c3ccccc3OC)CC2)c2ccccc21 5487604 XJYQKAADCQKIRM-UHFFFAOYSA-N 408.458 3.265 5 40 HGBB CSCC[C@H](NC(=O)c1ccccc1)C(=O)Nc1cc(Cl)c([N+](=O)[O-])cc1O 12637778 VFKMQLGMCQZDNA-ZDUSSCGKSA-N 423.878 3.444 5 40 HGBB CN(Cc1ccccc1F)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 13137640 CXSLECDWBFVXAA-UHFFFAOYSA-N 401.423 3.286 5 40 HGBB CCN(CC)S(=O)(=O)c1cc2c(cc1C)NC(=O)c1ccc([N+](=O)[O-])cc1O2 15084203 QVJWTNUPAGJRJR-UHFFFAOYSA-N 405.432 3.292 5 40 HGBB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(CCNc2ccc([N+](=O)[O-])cn2)cc1 19873589 GSCRIHJWYKLSBQ-OAHLLOKOSA-N 404.492 3.208 5 40 HGBB COc1ccc(CN(C)C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1F 24658772 BXOUDSUJUWNBHW-UHFFFAOYSA-N 410.785 3.211 5 40 HGBB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113882735 BYKZZHWNVPPSKO-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)NCCC1=CCCCC1)S(C)(=O)=O 220386968 ZIATUZAXOIGEOG-HNNXBMFYSA-N 409.508 3.064 5 40 HGBB CCOC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225028753 CGWFRKLKBQXICL-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB CCC(CC)C(=O)OC[C@@H](C(=O)OC1C[C@H]2[C@H]3O[C@H]3[C@@H](C1)[N+]2(C)C)c1ccccc1 5964842 QMSAITMOQPMPNH-VZEZWKOXSA-N 416.538 3.050 5 40 HGBB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)c(Cl)c1 20154342 ZTGUWQVZVJJPEH-UHFFFAOYSA-N 418.881 3.292 5 40 HGBB CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 223591109 LOMFLAIBIHTAHO-UHFFFAOYSA-N 416.459 3.421 5 40 HGBB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 1221530 DUDZXIAVYLXCJM-UHFFFAOYSA-N 406.427 3.455 5 40 HGBB COc1cc(C(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)ccc1OC(F)F 3489874 OMLBGGRONCXEKC-UHFFFAOYSA-N 410.329 3.309 5 40 HGBB CN(C)CCCn1ccc2nc3ccn(-c4ccccc4Cl)c(=O)c3cc2c1=O 38829025 DYWKIWOFMLBEKD-UHFFFAOYSA-N 408.889 3.306 5 40 HGBB O=C(OCc1ccccc1[N+](=O)[O-])[C@@H]1CN(C(=O)c2ccco2)c2ccccc2O1 40151879 IHFGYFVBSZGAKX-IBGZPJMESA-N 408.366 3.339 5 40 HGBB Cc1c(O[C@@H](C)C(=O)NCCCn2ccnc2)ccc2c1oc(=O)c1ccccc12 5206781 ZMDWZRRDDBDZMH-INIZCTEOSA-N 405.454 3.425 5 40 HGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1Cl)Nc1ccc2c(c1)OC(F)(F)O2 10665915 MKNICOOXKFCFLZ-UHFFFAOYSA-N 414.704 3.365 5 40 HGBB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1c[nH]c2ccc([N+](=O)[O-])cc12 58179493 AIWVEVXNOLPWAV-UHFFFAOYSA-N 405.414 3.363 5 40 HGBB CC(C)c1ccc(C(=O)N2CCN(c3ccc(-n4cnnc4)cc3[N+](=O)[O-])CC2)cc1 70461905 WWEACJCCBGYQTM-UHFFFAOYSA-N 420.473 3.261 5 40 HGBB O=C(Oc1ccc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 107836781 BKNXZYVIRZVSMW-XCVCLJGOSA-N 413.773 3.014 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cc(Cl)cc(Cl)c1 225078136 VMLCATMYPNLPER-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB CCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)cc1 7882605 QOZWMAYMGITYJK-OAHLLOKOSA-N 411.414 3.153 5 40 HGBB O=[N+]([O-])c1ccc(OC/C=C2/Oc3ccc([N+](=O)[O-])cc3[C@H]2N2CCOCC2)cc1 19830864 OUFLODBNKFDTBL-LFYPLSJUSA-N 413.386 3.232 5 40 HGBB CC[C@@H](C(=O)Nc1cc(C)ccc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513343 BXGZXPNRLPNWNG-SFHVURJKSA-N 405.476 3.395 5 40 HGBB O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2ccc([N+](=O)[O-])cc2)CC1 408603208 BMOWNDQNSYRCMI-IBGZPJMESA-N 415.421 3.098 5 40 HGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408687833 VGIPATSDYYHESH-ZTNFWEORSA-N 419.437 3.349 5 40 HGBB COC(=O)CCCn1c(C)cc(C(=O)COC(=O)c2cccc(C)c2[N+](=O)[O-])c1C 5228300 BHLWHCQWFHMMKX-UHFFFAOYSA-N 416.430 3.314 5 40 HGBB Cc1ccccc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 6968785 YPNRTZPPBOVENS-UHFFFAOYSA-N 418.906 3.394 5 40 HGBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc([N+](=O)[O-])c2)CC1 10010426 WMGHZJJCBHNBFB-UHFFFAOYSA-N 402.838 3.169 5 40 HGBB Cn1ccnc1[C@@H](Nc1ccc(S(C)(=O)=O)cc1[N+](=O)[O-])c1cccc(F)c1 12560012 QYQICHLFBDXCQR-KRWDZBQOSA-N 404.423 3.072 5 40 HGBB Cc1cccc(CN2CCN(C(=O)C3CCN(c4ccccc4[N+](=O)[O-])CC3)CC2)c1 32499383 WZPBYZMXEBMFET-UHFFFAOYSA-N 422.529 3.464 5 40 HGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 72274876 FJTJWCDZPXUVOU-UHFFFAOYSA-N 424.910 3.109 5 40 HGBB CC1=NN(C(=O)c2ccc(COc3ccc([N+](=O)[O-])cc3)o2)[C@](O)(C(F)(F)F)C1 653591 YEOUKCJUEOOJRD-MRXNPFEDSA-N 413.308 3.240 5 40 HGBB COC(=O)[C@@H](C)Sc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 916862 CHBHTTKSAVZKTG-CYBMUJFWSA-N 414.443 3.408 5 40 HGBB Cc1ccc(I)cc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 1431133 UKPSZUGMLLAGSE-UHFFFAOYSA-N 408.151 3.308 5 40 HGBB CCN1C(=O)[C@](O)(CC(=O)c2cccc([N+](=O)[O-])c2)c2cc(Br)ccc21 8921787 ZDHDMPCKHOBTOY-SFHVURJKSA-N 419.231 3.184 5 40 HGBB Cc1cccc(C)c1OC[C@@H](O)Cn1cnc2cc(Cl)c([N+](=O)[O-])cc2c1=O 12752744 OFJMIUSHAMJHJG-ZDUSSCGKSA-N 403.822 3.015 5 40 HGBB O=C(Oc1ccc(C(=S)N2CCOCC2)cc1)c1ccc(Cl)cc1[N+](=O)[O-] 13895625 XZXKEIDFGUUNEM-UHFFFAOYSA-N 406.847 3.475 5 40 HGBB Cc1cc(NC(=O)[C@@H](OC(=O)c2ccc(N(C)C)c([N+](=O)[O-])c2)c2ccccc2)no1 16116337 KSJSUEKCRIBLSK-IBGZPJMESA-N 424.413 3.494 5 40 HGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@@H](c1ccc2c(c1)OCCO2)C(C)C 27959647 UOTKMXJUYPNSLU-LJQANCHMSA-N 406.460 3.350 5 40 HGBB O=C(CN1C(=O)S/C(=C\C=C\c2ccccc2[N+](=O)[O-])C1=O)N1CCCCC1 106756508 RPYUSHHDUAMPIJ-AXRVRKDRSA-N 401.444 3.200 5 40 HGBB CSc1ccccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220412250 BDUKZCMUMCETHN-GFCCVEGCSA-N 409.489 3.110 5 40 HGBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)NCc3cccs3)cc2[N+](=O)[O-])C1 4835471 ULUAZAJDSBYTBO-AWEZNQCLSA-N 417.487 3.366 5 40 HGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1cccc(F)c1 12564390 JTWZYANMHISXCL-UHFFFAOYSA-N 409.421 3.043 5 40 HGBB Cc1c(C(=O)N2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)cccc1[N+](=O)[O-] 12750450 KQKCTWNVHUQVHN-UHFFFAOYSA-N 410.426 3.410 5 40 HGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccccc1[N+](=O)[O-] 17082632 MKCMHFKEZUEZRV-UHFFFAOYSA-N 403.401 3.240 5 40 HGBB CC[C@H](C(=O)Nc1ccc(OC)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222532936 XQKZGQGEMDITHH-QGZVFWFLSA-N 421.475 3.095 5 40 HGBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccc(O)c1)c1ccc([N+](=O)[O-])cc1 1434645 VHRVTBLOTQPAHU-IBGZPJMESA-N 404.382 3.212 5 40 HGBB COc1ccccc1NN1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 3044960 IPNNWKVRJGDQJL-UHFFFAOYSA-N 408.326 3.288 5 40 HGBB COC(=O)c1cc(C(=O)OCCOc2ccc(Br)cc2)cc([N+](=O)[O-])c1 3403520 PBCLFBBMTIDJRU-UHFFFAOYSA-N 424.203 3.380 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 8475201 WKQSJYZGMZKZBS-RTBURBONSA-N 405.410 3.103 5 40 HGBB COc1ccc(OC)c(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)c1 9499207 VZDIFBOIFGOWFP-UHFFFAOYSA-N 415.431 3.144 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCc2cc(S(=O)(=O)NC3CCCC3)ccc21 10386716 PCLICMFLVLSYNI-UHFFFAOYSA-N 415.471 3.019 5 40 HGBB Cc1ccc([C@H](C)NC(=O)CN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 22375280 SLAPJPFDOGKKOV-INIZCTEOSA-N 419.503 3.163 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 138967984 WCRUBDGPOXDMJO-OALUTQOASA-N 407.426 3.327 5 40 HGBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 409245475 UIBVSKPROHKKFQ-OVCLIPMQSA-N 401.375 3.409 5 40 HGBB O=C(CN1CCN(c2nc(-c3ccccc3)cs2)CC1)Nc1cccc([N+](=O)[O-])c1 1349474 IYTJFOCMQNJKEZ-UHFFFAOYSA-N 423.498 3.479 5 40 HGBB COc1ccc(C(=O)OCC(=O)Nc2ccc(N3CCCCC3)cc2)cc1[N+](=O)[O-] 3377962 GONIJIBTCLGDDP-UHFFFAOYSA-N 413.430 3.389 5 40 HGBB Cc1ccc(Cn2cc(/C=C/c3[nH]c(=O)[nH]c(=O)c3[N+](=O)[O-])c3ccccc32)cc1 6415386 WYVQEISVTLLBNK-ZHACJKMWSA-N 402.410 3.453 5 40 HGBB COc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)CCc2ccccc2)cc1[N+](=O)[O-] 7813593 DQNOROMQHHGMKD-LSDHHAIUSA-N 400.431 3.286 5 40 HGBB O=C(NC[C@H](O)c1ccc([N+](=O)[O-])cc1)C1(c2ccc(Br)cc2)CC1 36741021 XCORCVFZXKCNKN-INIZCTEOSA-N 405.248 3.239 5 40 HGBB COCC[C@H](C)NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 58179234 CNQZAYCETXEXOS-LBPRGKRZSA-N 403.401 3.371 5 40 HGBB O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)OCc1cc(=O)oc2ccc3ccccc3c12 102271332 TZUCACZSFJNRSM-HDICACEKSA-N 419.433 3.165 5 40 HGBB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409131626 JCCIHXHZCNTKSQ-CXUHLZMHSA-N 414.395 3.295 5 40 HGBB NC(=O)c1cn(-c2ccccc2)nc1[C@H]1CCCN(Cc2ccccc2[N+](=O)[O-])C1 583621537 YUYGBKISCPTXQI-KRWDZBQOSA-N 405.458 3.259 5 40 HGBB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc([N+](=O)[O-])cc3)co2)n1 4377284 QPBCBEIYIOSWHN-UHFFFAOYSA-N 413.411 3.466 5 40 HGBB CCn1c(=O)c2c(O)c(Br)c(=O)oc2c2cc(Br)ccc21 16162794 BIBFAGHZLAGWCT-UHFFFAOYSA-N 415.037 3.358 5 40 HGBB O=C(NCc1ccc(-n2cncn2)nc1)c1cc([N+](=O)[O-])ccc1Oc1ccccc1 48331926 UZQTTXAKKGZOEZ-UHFFFAOYSA-N 416.397 3.293 5 40 HGBB Cn1c(CNC(=O)c2ccccc2F)nnc1SCc1ccc([N+](=O)[O-])cc1 107755785 FIXYRMZYJPTYMF-UHFFFAOYSA-N 401.423 3.085 5 40 HGBB O=C(NC[C@@H](c1ccco1)S(=O)(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 4518943 QQQGNWIKDZWAHP-SFHVURJKSA-N 400.412 3.133 5 40 HGBB COc1cc(-c2nnc(COc3cc(F)ccc3[N+](=O)[O-])o2)cc(OC)c1OC 7005398 XBQGOTFSPJXVNW-UHFFFAOYSA-N 405.338 3.389 5 40 HGBB O=C(NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc([N+](=O)[O-])c1 12975728 WDNWLNFOPSJMCR-UHFFFAOYSA-N 424.482 3.341 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cccs4)no3)C2)cc1 13083993 SENQERONIKJGBS-LBPRGKRZSA-N 420.472 3.275 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)NNc2c(F)c(F)c(F)c(F)c2F)ccc1Cl 19943901 BRIQUWDTLVIXPK-UHFFFAOYSA-N 417.699 3.249 5 40 HGBB COc1ccc(CN2CCN(C(=O)c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1F 25198498 LPDKXLYRWPGGGH-UHFFFAOYSA-N 407.829 3.354 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N[C@H]3CCCC[C@H]3O)c([N+](=O)[O-])c2)CC1 58162259 BNRIFWCNXOVVPQ-PLQDADFZSA-N 411.524 3.167 5 40 HGBB O=C(Nc1cccc(NC(=O)c2ccc([N+](=O)[O-])cn2)c1)c1ccc2c(c1)OCO2 84374462 RVPAGFCCLKLAEA-UHFFFAOYSA-N 406.354 3.223 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1cccc(Cl)c1)c1cccc([N+](=O)[O-])c1 222684259 JVEOWPBKYUNRME-UHFFFAOYSA-N 411.867 3.433 5 40 HGBB O=[N+]([O-])c1ccccc1S(=O)(=O)NCCc1csc(-c2ccc(F)cc2)n1 5137642 SEVYIJFXJSDVFC-UHFFFAOYSA-N 407.448 3.378 5 40 HGBB O=C(Nc1ccccc1O)c1ccc2c(c1)C(=O)N(c1cccc([N+](=O)[O-])c1)C2=O 1445481 HRXIWZIAWKWKCF-UHFFFAOYSA-N 403.350 3.353 5 40 HGBB O=C(O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113883302 XWIZDAWMJQPWDK-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB COc1ccc(-c2nsc(NC(=O)COc3ccccc3[N+](=O)[O-])n2)cc1OC 27793623 RGACIRCCQJSYRL-UHFFFAOYSA-N 416.415 3.148 5 40 HGBB O=C(NCc1cccnc1)/C(=C/c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 32675376 SJKADCDMPOHNIE-MOSHPQCFSA-N 423.450 3.121 5 40 HGBB CCCCc1noc([C@H](C)Oc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])n1 32761062 YNVKYOFCVIBKAD-ZDUSSCGKSA-N 424.479 3.245 5 40 HGBB C[C@@H](C(=O)N[C@H](C)CCc1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 33040259 JXLBJJRUYVOKGY-MOPGFXCFSA-N 410.518 3.243 5 40 HGBB Cc1cc(C(=O)Cn2cnc3ccc([N+](=O)[O-])cc3c2=O)c(C)n1-c1nccs1 6852143 ZRCWZOMJVNWZND-UHFFFAOYSA-N 409.427 3.052 5 40 HGBB O=C(Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 5446241 UWRIUMSNFICFTI-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB CC(C)[C@@H](NC(=O)NCCNc1ccccc1[N+](=O)[O-])c1ccc2c(c1)OCCO2 9761084 OWTFDFBCMFSRSR-HXUWFJFHSA-N 414.462 3.474 5 40 HGBB C[C@H]1CCCN(C(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)C1 13669763 SLXIPQFSAODOFQ-INIZCTEOSA-N 417.487 3.049 5 40 HGBB CC[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1C)N(c1ccc(F)cc1)S(C)(=O)=O 13715731 XLAJFHKUAHZTFV-KRWDZBQOSA-N 409.439 3.226 5 40 HGBB CCOC(=O)C[C@@H](NS(=O)(=O)c1c(C)cc(C)cc1C)c1cccc([N+](=O)[O-])c1 4594421 NXUDYHGOUCMOCI-GOSISDBHSA-N 420.487 3.493 5 40 HGBB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc2nc3ccccc3c(=O)n2c1 4659326 PSZAUBXQDMSKND-UHFFFAOYSA-N 412.493 3.242 5 40 HGBB Nn1c(SCc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(-c2ccc(F)cc2)n[nH]1 9014995 DIOBEULYLGHDEH-UHFFFAOYSA-N 411.422 3.389 5 40 HGBB C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1cc(Cl)ccc1-n1cncn1 12765346 YPPBQVQRBIGIGD-CYBMUJFWSA-N 414.853 3.460 5 40 HGBB C[C@@H](CNS(=O)(=O)c1ccccc1[N+](=O)[O-])c1nc2ccccc2n1C(F)F 32927620 ASXXCVXXKUVFFX-NSHDSACASA-N 410.402 3.422 5 40 HGBB CCc1n[nH]c(-n2ccc3nc4ccn(-c5ccc(Cl)cc5)c(=O)c4cc3c2=O)n1 40399134 TXLXITTVCHGPIJ-UHFFFAOYSA-N 418.844 3.024 5 40 HGBB CC(C)c1ccc(-c2nn3c(CN4CCOCC4)nc4ccccc4c3nc2=O)cc1 95944206 IMQCLFVIKHUHLP-UHFFFAOYSA-N 415.497 3.260 5 40 HGBB Cc1cc(NC(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n([C@H]2C[C@H]3CC[C@H]2C3)n1 108375366 YMDLSHALTRZRRG-LLDVTBCESA-N 411.462 3.218 5 40 HGBB Cc1c(N(CC(=O)Nc2ccc(C(C)C)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 220023159 MHMPZVHDAWSZFI-UHFFFAOYSA-N 405.476 3.431 5 40 HGBB CCOc1ccccc1N(CCCC(=O)Nc1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222611788 BWHXCCKLYFBRIF-UHFFFAOYSA-N 421.475 3.178 5 40 HGBB Cc1ccc(NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 222683543 AWEADZJMJWAANO-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O 3235217 QAROSGCVHSYMBB-UHFFFAOYSA-N 423.402 3.329 5 40 HGBB COc1ccc(C(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccc(OC)cc2)cc1 8729000 KWXYEJUEXLTZHC-UHFFFAOYSA-N 424.457 3.331 5 40 HGBB O=C(C[C@@H]1SC(c2cc3ccccc3oc2=O)=NC1=O)Nc1cccc([N+](=O)[O-])c1 18992315 RXFNYZZKCNJYKA-INIZCTEOSA-N 423.406 3.119 5 40 HGBB CCN(CC)c1ccc(NC(=O)N2CCN(Cc3cccc([N+](=O)[O-])c3)CC2)cn1 58140331 UBMZGZTYLSGESJ-UHFFFAOYSA-N 412.494 3.186 5 40 HGBB COc1cc(OCC(=O)Nc2ccccc2C(=O)NCC(C)C)ccc1[N+](=O)[O-] 66018030 JXDMKURJEMLOCK-UHFFFAOYSA-N 401.419 3.007 5 40 HGBB Cn1ccnc1C(=O)c1ccc(N(Cc2ccccc2)Cc2cc[nH]n2)c([N+](=O)[O-])c1 95443180 MJRWCLKZZWMJCV-UHFFFAOYSA-N 416.441 3.489 5 40 HGBB CSc1ccccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220412303 BDUKZCMUMCETHN-LBPRGKRZSA-N 409.489 3.110 5 40 HGBB COCCCN1C(=O)S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C1=O 409235047 YLPGTVPUFWAUSL-YRNVUSSQSA-N 417.237 3.136 5 40 HGBB O=C(COC(=O)/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc2c(c1)OC(F)(F)O2 6653928 QETXMTMQZXTXRI-QPJJXVBHSA-N 406.297 3.111 5 40 HGBB CNc1nc(Nc2ccccc2[N+](=O)[O-])nc(OC(C(F)(F)F)C(F)(F)F)n1 9554179 NKIBMAZAZPPCAP-UHFFFAOYSA-N 412.250 3.437 5 40 HGBB CSCC[C@H](C(=O)OCc1cccc([N+](=O)[O-])c1)N1C(=O)c2ccccc2C1=O 9864064 VMWSHIYIBTXJOL-QGZVFWFLSA-N 414.439 3.056 5 40 HGBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(F)cc2Br)C1=O 11378591 HSIPZEAQBWOWDZ-KRWDZBQOSA-N 422.210 3.464 5 40 HGBB COc1ccc(-n2nc([N+](=O)[O-])c(Nc3ccc(Br)c(C)c3)[n+]2[O-])cc1 20156376 GBJCTCUWQDPXNW-UHFFFAOYSA-N 420.223 3.237 5 40 HGBB COc1cc(/C=C2\N=C(S)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33155016 OMDUEQZJHOAMNO-WDZFZDKYSA-N 416.371 3.060 5 40 HGBB CCCn1c(=O)c2c(=S)[nH]c(-c3ccc([N+](=O)[O-])c(C)c3)nc2n(CCC)c1=O 102428467 MEWCIRJIGIMHMZ-UHFFFAOYSA-N 415.475 3.319 5 40 HGBB CCCS(=O)(=O)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9373383 LQFATZVAFJFDFQ-UHFFFAOYSA-N 418.880 3.183 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2cccs2)CC1 15411297 VAKBVKLOPIAUDM-UHFFFAOYSA-N 409.489 3.004 5 40 HGBB Cc1c(NC(=O)CSCc2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C 20238380 QCWPIVNLFLNAQA-UHFFFAOYSA-N 412.471 3.265 5 40 HGBB CCOC(=O)CN(c1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113883031 LZJCYSRPEMRIQN-UHFFFAOYSA-N 406.460 3.278 5 40 HGBB O=C(O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 224757995 VLXIBPZMZPIXAX-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)c1ccc2c(c1)OCCO2 4840243 PLTUUGDTGUDMHP-UHFFFAOYSA-N 412.398 3.006 5 40 HGBB CC(C)(C)C(=O)COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 6304914 WSJRXWCDMOWYIP-UHFFFAOYSA-N 405.428 3.200 5 40 HGBB COc1ccc(OC)c(Nc2nc(N3C[C@@H](C)C[C@@H](C)C3)nc(N)c2[N+](=O)[O-])c1 13748460 UNXYKSBMTXRBLT-TXEJJXNPSA-N 402.455 3.210 5 40 HGBB O=C1C[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2)n2nc(-c3ccc(Cl)cc3)nc2N1 14607334 HTZJRFCWLNQYEC-AWEZNQCLSA-N 412.793 3.029 5 40 HGBB Cc1ccc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220415557 OQBGTOMZQNNREU-HOTGVXAUSA-N 419.503 3.244 5 40 HGBB CC[C@H](C(=O)NC)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222922103 NXLMLGAAFQFPEF-LJQANCHMSA-N 415.515 3.381 5 40 HGBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223600795 ZQLRCUROWCWLFG-RBUKOAKNSA-N 410.455 3.215 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(NC(=O)c2ccccc2C)CC1 4909078 OFFUVKJWPHPDFD-UHFFFAOYSA-N 410.474 3.045 5 40 HGBB O=C(NCCc1c[nH]c2ccc(F)cc12)[C@@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 13552532 NOPSNSXSYGMNPG-OAHLLOKOSA-N 411.437 3.186 5 40 HGBB CCOC(=O)N1CCN(C(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)CC1 408907194 MHBMTCBCHNYBMP-CAPFRKAQSA-N 409.442 3.436 5 40 HGBB O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 4779270 FBSHVFYOLBQNMD-UHFFFAOYSA-N 406.350 3.308 5 40 HGBB CCOC(=O)C1=C(C)N[C@H](c2cccc([N+](=O)[O-])c2)N[C@@H]1c1cccc([N+](=O)[O-])c1 95115830 LYSZPSRFMMSDIP-MOPGFXCFSA-N 412.402 3.273 5 40 HGBB Cc1[nH]nc(C(=O)N[C@H](c2ccc(F)c(F)c2)C(C)(C)N2CCCC2)c1[N+](=O)[O-] 96011862 IJDBGDRZVDQXTP-QGZVFWFLSA-N 407.421 3.250 5 40 HGBB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220409022 GKBUNTRNYGSFTL-SNVBAGLBSA-N 415.830 3.181 5 40 HGBB CCn1c(=O)n(CC)c2cc([N+](=O)[O-])c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc21 408526219 AJAHRTFVEIXPSA-UHFFFAOYSA-N 413.390 3.220 5 40 HGBB CCCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)cc1 22393083 UJYNZWXQSMWQOY-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=C(NCc1cccnc1OC1CCCC1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 32249364 PKXOXCNBYITLSP-UHFFFAOYSA-N 407.430 3.427 5 40 HGBB COc1cc(OC)c2[nH]c(C(=O)OCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)cc2c1 32906252 XYSPQBFQAKXANV-UHFFFAOYSA-N 413.386 3.197 5 40 HGBB Cc1cc(C(=O)Nc2cccc(Cn3nc4ccccn4c3=O)c2)ccc1[N+](=O)[O-] 32925757 KDLDOLUCYGHMAM-UHFFFAOYSA-N 403.398 3.013 5 40 HGBB O=C(CSc1nnc2ccc(-c3ccccc3)nn12)Nc1ccc([N+](=O)[O-])cc1 5167351 WQIZBLBVSZUENR-UHFFFAOYSA-N 406.427 3.430 5 40 HGBB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)n1 5602007 XMXMMQDOMWMWGL-UHFFFAOYSA-N 421.461 3.348 5 40 HGBB C[C@@]12CCC(=O)N1[C@H](C(=O)OCc1cc(=O)oc3ccc4ccccc4c13)CS2 5876497 ASZKUMAYWMBWQH-KSFYIVLOSA-N 409.463 3.443 5 40 HGBB O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1 8971891 FPTLILCQASKCBJ-DYESRHJHSA-N 406.398 3.229 5 40 HGBB CC(C)NS(=O)(=O)c1ccc(Sc2nc(-c3ccccc3)n[nH]2)c([N+](=O)[O-])c1 12758268 FAOSWFISSXCXSR-UHFFFAOYSA-N 419.488 3.218 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O 22391068 VBIURQFKTYAARY-UHFFFAOYSA-N 421.475 3.132 5 40 HGBB COc1ccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)cc1 23409348 KJWHCROJKQUUPL-IBGZPJMESA-N 419.865 3.060 5 40 HGBB Cc1sc(NC(=O)c2ccccc2Cn2nc([N+](=O)[O-])cc2C)c(C(N)=O)c1C 2794697 KVTIVYSEAFJAGY-UHFFFAOYSA-N 413.459 3.178 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])cc2)N3)C1 4524987 HKLSMQSGRDVJLY-HNNXBMFYSA-N 402.432 3.025 5 40 HGBB CN1CCN(c2ccc(-c3cccc(NC(=O)c4cccc([N+](=O)[O-])c4)c3)nn2)CC1 4939845 WIXJMCHKXRVHMQ-UHFFFAOYSA-N 418.457 3.056 5 40 HGBB COc1ccc([C@H](CNC(=O)COc2ccc([N+](=O)[O-])cc2)N2CCCCC2)cc1 8867661 UKIAPMXBYWZAOC-NRFANRHFSA-N 413.474 3.326 5 40 HGBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccnc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 9313267 SIPUPZSEKHAJRB-VAMGGRTRSA-N 416.393 3.041 5 40 HGBB C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1cccc([N+](=O)[O-])c1 16330627 HKYMMVILLDCNOC-GXFFZTMASA-N 409.493 3.157 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(COc3ccccc3)n2)cc1 17092132 BTLKKNJYYWBOKD-UHFFFAOYSA-N 420.385 3.059 5 40 HGBB CCOC(=O)C1=C(C)N[C@@H](c2ccccc2[N+](=O)[O-])N[C@@H]1c1ccccc1[N+](=O)[O-] 19872855 SWGJSVWPFFSGRV-RTBURBONSA-N 412.402 3.273 5 40 HGBB COc1ccc([C@H](CNS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)N2CCCC2)cc1 23994265 APVDLUQDYZTIAZ-FQEVSTJZSA-N 419.503 3.027 5 40 HGBB O=C(Nc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(O)c([N+](=O)[O-])c1 32797794 DHSIIUZRYIOQIV-UHFFFAOYSA-N 413.411 3.354 5 40 HGBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccccc1F 57563238 KRBSVPPKRIJAIA-UHFFFAOYSA-N 409.421 3.043 5 40 HGBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2)C1=O 214689299 NIPQUXNIYQWLJE-MHWRWJLKSA-N 413.411 3.278 5 40 HGBB COc1ccc(-c2noc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)n2)c(OC)c1 217898153 NFOHPYVWKJKXEJ-IZZDOVSWSA-N 424.413 3.334 5 40 HGBB CC[C@H](NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)cc1 220421753 ZVGJRARDNGKUAZ-KXBFYZLASA-N 419.503 3.325 5 40 HGBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2cccc([N+](=O)[O-])c2)C1)C(=O)c1ccc(Cl)cc1 408663014 YBOYHXZYZZGZSW-GXTWGEPZSA-N 416.817 3.416 5 40 HGBB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 4341427 LADOUAAIDVZGHQ-UHFFFAOYSA-N 406.427 3.455 5 40 HGBB O=C(COC(=O)c1ccc(Cl)nc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 6636842 WBYPHMRBHCRPLL-UHFFFAOYSA-N 403.700 3.458 5 40 HGBB CN(C)[C@H](CNC(=O)/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)c1ccccc1Cl 21556828 JGLWLXVLZUHQOK-IWAYRVGRSA-N 417.849 3.409 5 40 HGBB CC(C)C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccccc1 22530734 UJHPLUYDQGTKBH-IBGZPJMESA-N 419.503 3.264 5 40 HGBB CSc1cccc(NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220408707 IJJSHPTYYSGLSD-LBPRGKRZSA-N 409.489 3.110 5 40 HGBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccccc1[N+](=O)[O-] 2074711 ALDJFDHGODKXSF-UHFFFAOYSA-N 404.429 3.104 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccccc1N1CCCC1 6615701 AGXLUAYURSQWIP-UHFFFAOYSA-N 400.460 3.087 5 40 HGBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccncc1 8435636 KGMMBDQFCWHINM-UHFFFAOYSA-N 414.447 3.008 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)NCC2CCCCC2)CC1 12818279 LOPJLVIWPCPBSP-UHFFFAOYSA-N 423.535 3.000 5 40 HGBB C[C@@H](Nc1cccc(NS(C)(=O)=O)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 30026729 QIHIKSUEIIPGBX-SNVBAGLBSA-N 412.855 3.059 5 40 HGBB O=C(Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)NCCn1ccnc1 48310251 BZGDBIOKDZGUGN-UHFFFAOYSA-N 416.441 3.003 5 40 HGBB COc1ccc(C)cc1N([C@H](C)C(=O)Nc1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220338523 UWIRPDDHQFPVSM-CQSZACIVSA-N 421.475 3.013 5 40 HGBB COc1ccc(-c2ccc(C(=O)O)o2)cc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 226353850 BZPNRQYCLJNNDT-UHFFFAOYSA-N 418.383 3.362 5 40 HGBB O=C(CSc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccccc1 408994576 ZSFSZSJBUVQBAT-GUYCJALGSA-N 419.484 3.114 5 40 HGBB CCc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)s1 2072179 AGQZMZHNKGYUDD-UHFFFAOYSA-N 419.492 3.018 5 40 HGBB COC(=O)c1c(COC(=O)COc2ccccc2[N+](=O)[O-])nc2ccccc2c1C 6590443 VJSQRBZNTISFPS-UHFFFAOYSA-N 410.382 3.360 5 40 HGBB NC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)sc2c1CCCC2 8337732 MSNRVOAKJATOJJ-UHFFFAOYSA-N 414.487 3.487 5 40 HGBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1 9714975 DYPQOSPCLWRSQW-UHFFFAOYSA-N 421.500 3.110 5 40 HGBB Cc1c(C(=O)Nc2ccc(-c3ccc(S(C)(=O)=O)nn3)cc2)cccc1[N+](=O)[O-] 15880867 STWUSESPFYRKMK-UHFFFAOYSA-N 412.427 3.016 5 40 HGBB CCN(CC)[C@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(C)C 32829350 GOMNYHXDHIBCHY-SFHVURJKSA-N 406.527 3.236 5 40 HGBB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc([N+](=O)[O-])c(OC)c1 66018036 AWGZINKBRFOXMO-CYBMUJFWSA-N 401.419 3.149 5 40 HGBB Cc1c(Cl)cccc1N1C[C@H](C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)CC1=O 408642435 DVMPZXAEJFLFAQ-CQSZACIVSA-N 416.817 3.336 5 40 HGBB COc1ccc2c(CC(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])coc2c1 5184908 FXOVCVIUCDDIMP-UHFFFAOYSA-N 402.334 3.213 5 40 HGBB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 14095231 URJIXHFGLFRESL-QGZVFWFLSA-N 409.273 3.250 5 40 HGBB CC(C)(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 104182695 CCJAFPLCUVDEPL-UHFFFAOYSA-N 404.291 3.480 5 40 HGBB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220415497 OQBGTOMZQNNREU-CVEARBPZSA-N 419.503 3.244 5 40 HGBB Cc1ccc(Cl)cc1N1CCN(c2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])CC1 7983423 NXAWYEFITMAMLV-UHFFFAOYSA-N 409.895 3.287 5 40 HGBB C[C@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc2c(c1)CCCC2 8394836 VSGVRWKLYXQOCQ-AWEZNQCLSA-N 406.442 3.061 5 40 HGBB O=C([C@@H](Cc1ccccc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)N1CCCCCC1 8471656 CEYVFFLTUNKXCP-LJQANCHMSA-N 421.453 3.205 5 40 HGBB CCOC(=O)c1ccc(NC(=O)c2ccc(=O)n(Cc3cccc([N+](=O)[O-])c3)c2)cc1 10187943 AVJKNKCAFWZJNT-UHFFFAOYSA-N 421.409 3.234 5 40 HGBB O=C(NCCc1c[nH]c2ccc(F)cc12)[C@H]1CCCN(c2ccc([N+](=O)[O-])cn2)C1 13552533 NOPSNSXSYGMNPG-HNNXBMFYSA-N 411.437 3.186 5 40 HGBB COc1ccc(-c2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)o2)c(OC)c1 21571339 QDPSRTGMGFSVQB-UHFFFAOYSA-N 416.415 3.393 5 40 HGBB CCOC(=O)c1cnn(-c2cccc(NC(=O)Cc3ccccc3[N+](=O)[O-])c2)c1C 25993543 VZEXVWBAIFIMFG-UHFFFAOYSA-N 408.414 3.447 5 40 HGBB Nc1nc(Nc2ccccc2F)nc(N2CCN(Cc3ccccc3)CC2)c1[N+](=O)[O-] 54147627 GAIJXXOEMYZFDV-UHFFFAOYSA-N 423.452 3.172 5 40 HGBB Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4)CC3)nn2)cc1 90485793 UZYFTFWELMQOMM-UHFFFAOYSA-N 418.457 3.399 5 40 HGBB Cc1ccc([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c(C)c1 220421380 XTVMSGXNYREHPP-CVEARBPZSA-N 419.503 3.244 5 40 HGBB CCC(=O)N1N=C(c2ccc(NS(C)(=O)=O)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 4036018 FPCUGYRNDHBOIE-SFHVURJKSA-N 416.459 3.054 5 40 HGBB O=C(COC(=O)c1ccc(Br)o1)Nc1ccc([N+](=O)[O-])cc1Cl 6234954 JPANCJCZHGIAOC-UHFFFAOYSA-N 403.572 3.399 5 40 HGBB COc1cc(CN(C)C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)ccc1OC(F)F 6602496 NUUUSLRUTBGDMG-UHFFFAOYSA-N 411.317 3.385 5 40 HGBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 10203641 CJZPTSUFPAGSIG-KRWDZBQOSA-N 424.501 3.465 5 40 HGBB O=c1oc(-c2cccs2)nn1CN(Cc1ccccc1[N+](=O)[O-])CC(F)(F)F 54497149 IXIWELDDZBRJDD-UHFFFAOYSA-N 414.365 3.495 5 40 HGBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223845955 UXQNCTKXIHOACR-OAHLLOKOSA-N 401.438 3.220 5 40 HGBB CCOc1ccc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1OCC 408571607 PEWPRFNQDGBTON-OHTVPHGASA-N 411.458 3.052 5 40 HGBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CC[C@H](C)C2 845136 JPIBZFDZSSOTHC-JTQLQIEISA-N 420.491 3.410 5 40 HGBB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)ccc1O 3272437 XBABUIHCWLOUHY-XVNBXDOJSA-N 406.778 3.158 5 40 HGBB CCOC(=O)N1CCN(c2c([N+](=O)[O-])c(=O)n(-c3ccccc3)c3ccccc23)CC1 9328453 CIKPARLITFCKDK-UHFFFAOYSA-N 422.441 3.177 5 40 HGBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1C 12944462 RVAAJLBYAORCOE-UHFFFAOYSA-N 400.460 3.218 5 40 HGBB Cc1nc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1Br 17092574 DDGSHANVTBRHJG-UHFFFAOYSA-N 421.251 3.150 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 52554242 CXYLIOUNKGGFRU-UHFFFAOYSA-N 403.866 3.408 5 40 HGBB O=C(NCc1nc(-c2cccc(Br)c2)no1)c1ccc([N+](=O)[O-])cc1 217864001 SWHHNDSJECUUHW-UHFFFAOYSA-N 403.192 3.337 5 40 HGBB COc1ccc(-c2noc(CN(C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)n2)c(OC)c1 217944604 JUSSIXLFZPOKEF-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 225677632 GLDKTGSZDGEPFL-MRXNPFEDSA-N 415.465 3.466 5 40 HGBB CCc1ccc(C(=O)COc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])cc1 4415665 MRVPFSPJUWPIRK-UHFFFAOYSA-N 420.487 3.449 5 40 HGBB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)c1 4517870 ULODCAMYYUDVIG-UHFFFAOYSA-N 403.441 3.374 5 40 HGBB Cc1ccc(-c2nc(CCNC(=O)C(=O)Nc3ccc([N+](=O)[O-])cc3)cs2)cc1 4570913 QNSCNCSWDTXOJE-UHFFFAOYSA-N 410.455 3.324 5 40 HGBB O=C(Nc1cccc(-c2ccc(N3CCOCC3)nn2)c1)c1ccccc1[N+](=O)[O-] 4939891 HYZYAVOKXBYDOT-UHFFFAOYSA-N 405.414 3.141 5 40 HGBB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cccs3)C2)cccc1[N+](=O)[O-] 7956680 ZFHMAFQSSSGICF-ZDUSSCGKSA-N 409.489 3.004 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CNc1ccccc1C(=O)NCc1ccco1 9728007 PTDRLXGOUCHLPY-UHFFFAOYSA-N 424.413 3.177 5 40 HGBB COc1ccc(CNC(=O)CN(C)Cc2cc([N+](=O)[O-])ccc2Cl)cc1OC 14069837 GHBBQMWXNKJBFT-UHFFFAOYSA-N 407.854 3.014 5 40 HGBB O=C1CCCc2nc3nc(N4CCCCC4)[nH]c(=O)c3c(-c3cccc([N+](=O)[O-])c3)c21 20673709 DGBLNRZSLZGMNE-UHFFFAOYSA-N 419.441 3.403 5 40 HGBB O=C(CN(Cc1ccccc1)CC(F)F)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 72308847 DUZAHTGLRWBAFX-UHFFFAOYSA-N 418.444 3.011 5 40 HGBB O=C(Oc1ccccc1)c1ccccc1OC1=NS(=O)(=O)c2cc([N+](=O)[O-])ccc21 95481783 LUVOPIICRUWWBW-UHFFFAOYSA-N 424.390 3.342 5 40 HGBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)CCCC1=O 8475185 RUIUGFGJIFTCSJ-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB O=C(NC(=S)Nc1ccc(Br)cc1C(=O)O)c1ccc([N+](=O)[O-])cc1 16400885 QDQJRAHSYBTFDZ-UHFFFAOYSA-N 424.232 3.182 5 40 HGBB CCC(CC)[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])N1CCCC1 32829319 ALHMDQSLSNQFSP-OAQYLSRUSA-N 418.538 3.380 5 40 HGBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1cccc([N+](=O)[O-])c1 100037540 UDGKIJISZFDPJE-UHFFFAOYSA-N 408.282 3.365 5 40 HGBB CCc1ccc(N([C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1 220276375 HMLORCVPNLPNHX-CQSZACIVSA-N 405.476 3.259 5 40 HGBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccccc1 835142 IDRZDIRTDHEGAM-UHFFFAOYSA-N 411.439 3.429 5 40 HGBB CCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2150685 GBYIFYCKCWCRLP-UGKGYDQZSA-N 418.453 3.171 5 40 HGBB biogenic O=C(NCCNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1cc(F)c(F)cc1Cl 5335298 NDASWVDSDVHBKO-UHFFFAOYSA-N 400.725 3.277 5 40 HGBB CN1CCN(c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2Cl)CC1 9190338 QOCXJDBTBUOIEG-UHFFFAOYSA-N 404.854 3.018 5 40 HGBB CC(C)Nc1cc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)ccc1[N+](=O)[O-] 9192169 RHYPNKBASANAEG-UHFFFAOYSA-N 422.482 3.065 5 40 HGBB CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1 20634775 MWURFSLMVQZCSL-GOSISDBHSA-N 423.425 3.424 5 40 HGBB O=[N+]([O-])c1ccc([C@@H](O)[C@@H](CO)Nc2nc(-c3cccnc3)nc3ccccc23)cc1 24982209 BFOJVJUPOVPBCJ-WOJBJXKFSA-N 417.425 3.106 5 40 HGBB C[C@H](c1nc(-c2ccccc2)no1)N1CCN(c2nc3ccccn3c2[N+](=O)[O-])CC1 32823969 IWVJPDQZLOEEJQ-OAHLLOKOSA-N 419.445 3.176 5 40 HGBB CS(=O)(=O)N(CCCC(=O)Nc1ccc(F)c(F)c1)c1cccc([N+](=O)[O-])c1 222364449 QPLOOEKKEPPEHN-UHFFFAOYSA-N 413.402 3.058 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(C)n1C[C@H]1CCCO1 887428 AIZVJGAHMFGIRU-IUODEOHRSA-N 405.480 3.101 5 40 HGBB CC(=O)c1ccc(C(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 5181403 JMWFCRYRCBTXKT-UHFFFAOYSA-N 410.455 3.370 5 40 HGBB C[C@@H]1CCCCN1CCCNc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-] 9118847 LJPYZBBTNGTTKX-OAHLLOKOSA-N 412.556 3.348 5 40 HGBB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 26233041 FCXDTTZIORUJPK-OAHLLOKOSA-N 422.459 3.146 5 40 HGBB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 56945292 OJOURMPLCKGEAO-NRFANRHFSA-N 420.469 3.481 5 40 HGBB COc1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)c(OC)c1 5270750 FRILKXDSFSBEEZ-UHFFFAOYSA-N 409.398 3.074 5 40 HGBB C[C@@H](CCCNC(=O)c1ccc([N+](=O)[O-])cc1)CNC(=O)c1ccc([N+](=O)[O-])cc1 6850737 UNTGRMCAWOSHIV-AWEZNQCLSA-N 414.418 3.079 5 40 HGBB CC(=O)Nc1ccc(C(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 15033404 LPAGPNLKXXUMBD-UHFFFAOYSA-N 410.352 3.414 5 40 HGBB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24391884 ZGKIHBSZZGBWGO-UHFFFAOYSA-N 420.473 3.438 5 40 HGBB CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1 218307852 WISBIQNPXPWURA-UHFFFAOYSA-N 411.867 3.215 5 40 HGBB Cn1ncc2c(-c3ccc4c(c3)n(C)c(=O)n4C)c3oc4cc(O)cc(O)c4c3nc21 524734966 VHXPQGYBMRIPKS-UHFFFAOYSA-N 415.409 3.136 5 40 HGBB Cc1ccc(OS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(-n2nc3ccccc3n2)c1 1770045 POWYBTGIWDDHTB-UHFFFAOYSA-N 410.411 3.405 5 40 HGBB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 5149070 AWNCKJYGWHRAPA-BEFAXECRSA-N 406.394 3.425 5 40 HGBB CCCCCNC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 6320299 HMJWTQDWKDKOAK-UHFFFAOYSA-N 405.476 3.097 5 40 HGBB Cc1ccc(-c2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)cc1 6810060 CBHXXPXGJXIFQU-UHFFFAOYSA-N 404.386 3.455 5 40 HGBB CCOC(=O)COc1ccc([C@@H](C)NC(=O)c2ccccc2[N+](=O)[O-])cc1OC 32916076 YSUKYSDRFZZRPO-CYBMUJFWSA-N 402.403 3.036 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1)S(C)(=O)=O 220395876 KCGSHTXKDHTCCN-KBPBESRZSA-N 423.466 3.074 5 40 HGBB COc1ccc(-c2nnc(CN(C)C(=O)c3ccc([N+](=O)[O-])c(C)c3)o2)cc1OC 408713860 BFHUNKOTTFQVOT-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB CCN(CC)c1ccc(NC(=O)COC(=O)COc2ccccc2[N+](=O)[O-])cc1 3228134 AHBPDOYVMXSVTC-UHFFFAOYSA-N 401.419 3.002 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 9778695 UOENKLIVVKRGHY-JOCHJYFZSA-N 424.457 3.432 5 40 HGBB Cc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C 17089886 HMIYSOXLGWIEMB-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB CC[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1C)N(c1ccccc1F)S(C)(=O)=O 220596405 LJAHVNGWRUKZMC-OAHLLOKOSA-N 409.439 3.226 5 40 HGBB CCOc1ccc(-c2cccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)c2)nn1 4270379 SLHZBNBPEKCGKJ-UHFFFAOYSA-N 400.416 3.251 5 40 HGBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)N1CCCCC1 9063785 QRJQICSJHQQXNT-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB NC(=O)c1ccc(SCC(=O)Nc2ccccc2Br)c([N+](=O)[O-])c1 16027418 XYKMZURNOKHOBO-UHFFFAOYSA-N 410.249 3.187 5 40 HGBB O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1 20153345 NZEWCDOYDJMPJP-UHFFFAOYSA-N 414.443 3.020 5 40 HGBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1cccc([N+](=O)[O-])c1 21124343 TVYWQQUOCIPAGR-UHFFFAOYSA-N 422.363 3.058 5 40 HGBB C[C@H](C(=O)Nc1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccccc3s2)CC1 32819584 VLHWHMYYJSFMSE-CQSZACIVSA-N 411.487 3.354 5 40 HGBB COc1cc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)ccc1[N+](=O)[O-] 66017210 XWHCBTYVCPDNNN-UHFFFAOYSA-N 402.447 3.475 5 40 HGBB O=C(NCc1ccc(C(F)(F)F)cc1)c1cccc([N+](=O)[O-])c1N1CCOCC1 95988693 QEBZTDQARZFEIZ-UHFFFAOYSA-N 409.364 3.380 5 40 HGBB Cc1ccc(C2=NN(C(=O)COc3ccc([N+](=O)[O-])cc3)[C@](O)(C(F)(F)F)C2)cc1 408564224 WJBOYEDXDJHIFE-GOSISDBHSA-N 423.347 3.170 5 40 HGBB COc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 408629341 XSFJQUMVYYYZJC-UHFFFAOYSA-N 404.854 3.261 5 40 HGBB O=C(c1ccccc1)[C@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccccc12 2330389 TXJHZJYGLJUAQU-GGAORHGYSA-N 413.389 3.471 5 40 HGBB CN(C)S(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl 3342895 XUWUAYWNUCJAJH-UHFFFAOYSA-N 418.258 3.404 5 40 HGBB C[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccccc1)N1CCN(C)CC1 4270914 TVKBNPXOSYBYAA-UZLBHIALSA-N 413.547 3.258 5 40 HGBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 8514240 WXCVYTKCSVILGC-KRWDZBQOSA-N 404.444 3.282 5 40 HGBB COc1ccc(C(=O)Nn2cnc3scc(-c4ccco4)c3c2=O)cc1[N+](=O)[O-] 13149087 DBDGRYXJIIEFGY-UHFFFAOYSA-N 412.383 3.019 5 40 HGBB Cc1cc(C(=O)NC[C@H](c2ccc(Cl)cc2)N2CCOCC2)ccc1[N+](=O)[O-] 58154240 JNCZATCNGQAMLX-LJQANCHMSA-N 403.866 3.360 5 40 HGBB CC[C@H](C(=O)NC(C(C)C)C(C)C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222535095 GGQPXBOKKFCSIY-MRXNPFEDSA-N 413.540 3.245 5 40 HGBB Cc1ccc(S(=O)(=O)NCc2nc(-c3cccc(Cl)c3)no2)cc1[N+](=O)[O-] 223581831 HYWXHNGJJWTZNI-UHFFFAOYSA-N 408.823 3.085 5 40 HGBB O=C(O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224938908 BJZNRKSALAYUFK-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB CC(=O)Nc1ccc(Oc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1 7982510 DKTRYBUXTOEUMM-UHFFFAOYSA-N 407.448 3.422 5 40 HGBB COc1cccc([C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)N2CCOCC2)c1 23106103 VJHZSHUPYXUAIY-IBGZPJMESA-N 419.865 3.060 5 40 HGBB O=C(Nc1ccccc1)[C@H]1CCCN(c2ccc(N3CCOC3=O)cc2[N+](=O)[O-])C1 78903640 FRNPROKXPMZQPV-HNNXBMFYSA-N 410.430 3.407 5 40 HGBB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 14404542 VUNLIMNBRDOXRU-UHFFFAOYSA-N 424.373 3.348 5 40 HGBB COC(=O)c1cc(C(=O)N(Cc2cc(OC)ccc2OC)C2CC2)cc([N+](=O)[O-])c1 25804291 HFABAULZKCFDPI-UHFFFAOYSA-N 414.414 3.203 5 40 HGBB O=[N+]([O-])c1ccc(CN2CCc3cc(S(=O)(=O)N4CCCCC4)ccc32)cc1 25930601 IUABVRCHOFQGHG-UHFFFAOYSA-N 401.488 3.332 5 40 HGBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1C(=O)N1CCCC1 26114992 IUTZCPVMKCSOJE-UHFFFAOYSA-N 421.500 3.354 5 40 HGBB CC[C@H](C)n1c(=N)c(C(=O)NCc2ccccc2)cc2c(=O)n3cc(C)ccc3nc21 100811502 MXXWQEZYLQOASZ-INIZCTEOSA-N 415.497 3.338 5 40 HGBB O=C(c1c([N+](=O)[O-])cc(SCc2ccccc2)cc1[N+](=O)[O-])N1CCOCC1 3671453 KABUPJAPVANRRI-UHFFFAOYSA-N 403.416 3.268 5 40 HGBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1)c1cc2ccccc2o1 7990101 YEJGGUMAAYSPKE-UHFFFAOYSA-N 410.382 3.217 5 40 HGBB COC(=O)c1cc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)ccc1OC 18061387 OSOUVDYANJZPFF-GFCCVEGCSA-N 404.444 3.187 5 40 HGBB O=C(NCCc1c[nH]c2ccc(F)cc12)C1CCN(c2ccc([N+](=O)[O-])cn2)CC1 20648371 HPIBAEPHPGECCI-UHFFFAOYSA-N 411.437 3.186 5 40 HGBB COc1cc(NC(=O)c2ccc(Cn3cc([N+](=O)[O-])cn3)cc2)c(C(C)=O)cc1OC 1000846 DOWFVOYSOIUKJK-UHFFFAOYSA-N 424.413 3.312 5 40 HGBB C[C@H]1CCCN(c2ccc(C(=O)N3CCN(c4ccc(O)cc4)CC3)cc2[N+](=O)[O-])C1 6328571 NCBCDVRCIIKYLM-KRWDZBQOSA-N 424.501 3.499 5 40 HGBB O=C(Oc1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1)c1ccc([N+](=O)[O-])cc1 100744056 GJCVLNBCDWBENC-LSOMNZGLSA-N 406.394 3.350 5 40 HGBB COc1ccc(-c2nnc(CN(C)C(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc1OC 408714146 JREIRGQZFIDZKT-IZZDOVSWSA-N 424.413 3.334 5 40 HGBB O=C(CSc1ncnc2sccc12)OCc1cc([N+](=O)[O-])cc2c1OCOC2 16050944 PXSOAYUCYXKYAG-UHFFFAOYSA-N 419.440 3.302 5 40 HGBB COc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)c([N+](=O)[O-])cc1OC 32796543 WFNUAQMHTSUUPR-LLVKDONJSA-N 419.821 3.257 5 40 HGBB Cc1c(CSc2nnc(CN3CCCC3=O)n2-c2ccccn2)cccc1[N+](=O)[O-] 40127660 VTPDXPWZVMTXSY-UHFFFAOYSA-N 424.486 3.294 5 40 HGBB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 104126992 ORJHMUOYWDPHAQ-RVKKMQEKSA-N 403.479 3.293 5 40 HGBB Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1N1CCCCS1(=O)=O 222568797 XMEQRJPRKFOOIR-UHFFFAOYSA-N 403.460 3.394 5 40 HGBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/C=C/c2ccccc2[N+](=O)[O-])C1=O 409235770 QLCUGCICXURCGU-WKZRCPIQSA-N 420.425 3.245 5 40 HGBB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1 7175972 VJBWCDVZFJCYBD-ZDUSSCGKSA-N 401.419 3.162 5 40 HGBB O=[N+]([O-])c1ccc(Cc2cc[n+](Cc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)cc1 5262208 JYZUWWBITSCETA-UHFFFAOYSA-N 408.390 3.296 5 40 HGBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1CC[S@](=O)c1cc(Cl)ccc1Cl 40116911 FXQIZFCVHHKSBK-AREMUKBSSA-N 413.238 3.305 5 40 HGBB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406819 RUVWRAJWVDGVDL-GFCCVEGCSA-N 411.867 3.350 5 40 HGBB CN(Cc1nc(-c2ccccc2Cl)no1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 223769981 FBBPWEXOPZPGJW-UHFFFAOYSA-N 408.823 3.119 5 40 HGBB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409248041 FRLMVQYXOWBXGG-GZTJUZNOSA-N 411.414 3.485 5 40 HGBB CCN1CCN(c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)CC1 21890273 CKRXXYGUOURKGC-UHFFFAOYSA-N 418.519 3.154 5 40 HGBB Cc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3cnoc3C)c2)cc1[N+](=O)[O-] 40155204 JWYDJWRRHQJSHR-UHFFFAOYSA-N 416.415 3.253 5 40 HGBB Cc1c(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)C2CC2)cccc1[N+](=O)[O-] 223103812 XJIOZRRPKJCCEZ-UHFFFAOYSA-N 401.444 3.003 5 40 HGBB O=C(NCCCCCCNC(=O)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 4412464 AIOTYVOXPSISBM-UHFFFAOYSA-N 414.418 3.223 5 40 HGBB COc1ccc(C)c2sc(N3CCN(C(=O)c4cccc([N+](=O)[O-])c4)CC3)nc12 4583543 WGWFHQFEZJJGTQ-UHFFFAOYSA-N 412.471 3.484 5 40 HGBB COCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)c(C)n1 225872646 PIZKKUSTVUKKTB-UHFFFAOYSA-N 415.446 3.010 5 40 HGBB O=C(O)c1cccc(N2C(=O)c3cc([N+](=O)[O-])cc4cc([N+](=O)[O-])cc(c34)C2=O)c1 2054221 NIPZTHWSGKAQER-UHFFFAOYSA-N 407.294 3.155 5 40 HGBB CCOc1ccc(NC(=O)c2nn(-c3cccc(Cl)c3)ccc2=O)c([N+](=O)[O-])c1 5488656 QWMBKXGNLISUNA-UHFFFAOYSA-N 414.805 3.445 5 40 HGBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccccc3)CC2)cccc1[N+](=O)[O-] 19867580 PINMFICGSWWVHW-UHFFFAOYSA-N 417.487 3.084 5 40 HGBB Cc1cccc(Nc2nc(N3CCN(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])c1 20357447 MUVFKZYRBOXNIF-UHFFFAOYSA-N 419.489 3.341 5 40 HGBB C[C@H]1CN(Cc2ccc(C(=O)NCCNc3ccccc3[N+](=O)[O-])cc2)C[C@@H](C)O1 25066941 TWKSNLIDKNZMBZ-CALCHBBNSA-N 412.490 3.046 5 40 HGBB O=C1N/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1Cc1ccccc1 409246187 GEAWBEYTFUYNQK-VGOFMYFVSA-N 418.203 3.156 5 40 HGBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccccc2C)cc1[N+](=O)[O-] 8433942 BZMRYMDVXVYORO-UHFFFAOYSA-N 414.414 3.447 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2[N+](=O)[O-])N3)C1 4524982 RPOHLHCXNCVAIB-HNNXBMFYSA-N 402.432 3.025 5 40 HGBB O=C(O)c1ccccc1S(=O)(=O)c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 13880573 CSGDECHOCKTLGY-UHFFFAOYSA-N 420.277 3.053 5 40 HGBB Cc1nn(C)c(C)c1Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1[N+](=O)[O-] 15113557 LELNIOKYFCGSSN-UHFFFAOYSA-N 407.496 3.109 5 40 HGBB COC(=O)C(C(=O)OC)[C@H](C[N+](=O)[O-])c1ccc(OCc2ccccc2Cl)cc1 16189605 ISIHMKSZODVJCQ-MRXNPFEDSA-N 421.833 3.242 5 40 HGBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC1CCC(C(=O)O)CC1 95970497 SLTOLHVWFOJMQW-UHFFFAOYSA-N 403.357 3.175 5 40 HGBB CC(=O)N1CCN(c2ccc(C(=O)N(C)[C@@H](C)c3ccccc3)cc2[N+](=O)[O-])CC1 12801342 VBEOIYCQHMCGLF-INIZCTEOSA-N 410.474 3.097 5 40 HGBB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57561353 QQOZTRPMWFKNCP-HNNXBMFYSA-N 423.448 3.431 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])cc(Br)c1=O)c1ccccc1OC(F)F 79101591 ZKFYVFIPYHUBSK-UHFFFAOYSA-N 403.135 3.003 5 40 HGBB COc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl 408569426 WTRRYCKQJQRFBX-GZMOKQHVSA-N 413.861 3.403 5 40 HGBB CC1=C(C(=O)OCC(C)C)[C@H](c2cccc([N+](=O)[O-])c2)N2C(=O)[C@H](C)SC2=N1 5067182 DTBUJXURVXEJKG-LRDDRELGSA-N 403.460 3.443 5 40 HGBB CC(=O)Oc1cn(CCCN2CCCC2=O)c2nc(C)n3c4ccccc4nc3c12 5236111 GNFGKDUXZZCKRD-UHFFFAOYSA-N 405.458 3.083 5 40 HGBB CCc1ccc([C@@H]2c3c(-c4cccc([N+](=O)[O-])c4)nnc(O)c3Nc3nnnn32)cc1 10296586 AQZKBTYEGVUZQB-GOSISDBHSA-N 416.401 3.001 5 40 HGBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O 205777953 RKKCYJXUXCEUQI-MHWRWJLKSA-N 415.427 3.373 5 40 HGBB O=C(CCCCCN1C(=O)c2ccccc2C1=O)OCC(=O)c1cccc([N+](=O)[O-])c1 2067948 TYEJDONNFDFOPU-UHFFFAOYSA-N 424.409 3.177 5 40 HGBB CC1(C)C[C@H](n2nc(O)c3c2NC(=O)CS[C@@H]3c2cccc([N+](=O)[O-])c2)CCO1 5862086 CCVVHHAPYLFUDF-CZUORRHYSA-N 418.475 3.402 5 40 HGBB COC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 8729506 KROGLNBPBBSSQR-UHFFFAOYSA-N 419.242 3.270 5 40 HGBB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)CC1=O 10461986 IOCGVCHRIFAPPR-INIZCTEOSA-N 424.457 3.434 5 40 HGBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCC2 16384461 GHSYCYXTHCVMPC-UHFFFAOYSA-N 424.891 3.024 5 40 HGBB COc1ccc(C(=O)Nc2ccccc2C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1[N+](=O)[O-] 26535535 BVHSWMRFSBLTNN-ZIAGYGMSSA-N 413.430 3.105 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@@H](C)C(=O)Nc1cccc(C)c1C)S(C)(=O)=O 220382447 ZOOOCKGKCVYUMN-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB O=C(Cc1cccs1)N[C@@H]1CCCC[C@@]12CN(Cc1ccc([N+](=O)[O-])o1)CCO2 306129875 IPFWVSZVAQDAFU-YLJYHZDGSA-N 419.503 3.122 5 40 HGBB Cc1ccc(OCc2ccc(C(=O)NCC(=O)Nc3ccc([N+](=O)[O-])cc3)o2)cc1 408562447 PPFACUFSMPNKSC-UHFFFAOYSA-N 409.398 3.444 5 40 HGBB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)Nc1ccccc1[N+](=O)[O-] 4996630 PUNKEODMJKGVKK-UHFFFAOYSA-N 403.395 3.460 5 40 HGBB Cc1c(NC(=O)CN(C)S(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] 8304317 KNADOJIBUPFEBC-UHFFFAOYSA-N 413.455 3.316 5 40 HGBB CC(C)(C)NC(=O)NC(=O)COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 8945739 IBOVBVSVDWDGRH-UHFFFAOYSA-N 423.809 3.289 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 17093799 JMFNONANNFGCRB-UHFFFAOYSA-N 424.335 3.484 5 40 HGBB CNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222445396 BXVNURISDBIZQH-MRXNPFEDSA-N 415.515 3.300 5 40 HGBB Cc1noc(C)c1CSCC(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 3453163 SETDNEYTDHPJDL-UHFFFAOYSA-N 404.404 3.226 5 40 HGBB COc1ccc(Cl)cc1NC(=O)CN(C)CC(=O)Nc1cc([N+](=O)[O-])ccc1C 3541380 QSIUKPPCNFJZCK-UHFFFAOYSA-N 420.853 3.074 5 40 HGBB COc1ccc(/C=C(\NC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)N2CCCCC2)cc1 13562214 RCJKUVOWZILGOZ-HKWRFOASSA-N 409.442 3.387 5 40 HGBB O=[N+]([O-])c1cnc(NC2CCN(c3ccc(C(F)(F)F)cn3)CC2)nc1NC1CC1 40153663 ZXLPCAIWOWSUSV-UHFFFAOYSA-N 423.399 3.454 5 40 HGBB O=C(NCCSc1nc(-c2ccccc2)n[nH]1)C1(c2ccc([N+](=O)[O-])cc2)CC1 225989802 QIXQTSNYWOUSME-UHFFFAOYSA-N 409.471 3.320 5 40 HGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 409176100 HKHOZOXYMXBHSB-KDURUIRLSA-N 406.394 3.407 5 40 HGBB CCOc1ccc(NC(=O)CSc2nnnn2-c2ccccc2C)c([N+](=O)[O-])c1 9539827 TVSGVWQADMDLBC-UHFFFAOYSA-N 414.447 3.008 5 40 HGBB COc1cccc(OC)c1OC1CCN(Cn2ncc3ccc([N+](=O)[O-])cc32)CC1 48274167 DFOSYUYDBYODDA-UHFFFAOYSA-N 412.446 3.463 5 40 HGBB CC[N@+]12CCC[C@@]34CC[C@@]5([C@H](C(=O)OC)C3)N(C(C)=O)c3ccccc3[C@@]5(CC1)[C@H]42 247648287 LETLXEQFYFDEOJ-VCSSJMHFSA-N 409.550 3.406 5 40 HGBB biogenic,in-vitro Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1C 408659983 WFMZCYYGTCEUFN-QGZVFWFLSA-N 410.426 3.299 5 40 HGBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c1 5636156 KDIOHCUHHZLXMC-JLHYYAGUSA-N 403.460 3.277 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc1[N+](=O)[O-] 7309540 KZFDYNACBGCPPV-INIZCTEOSA-N 404.444 3.200 5 40 HGBB CC(C)(C)NC(=O)Nc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)s1 9743966 LAVRNZXHUVETCY-UHFFFAOYSA-N 410.481 3.097 5 40 HGBB COc1ccc(C(=O)Nc2nc(-c3ccc(CNC(C)=O)o3)cs2)cc1[N+](=O)[O-] 12052280 XLUSQQIFXBBNDT-UHFFFAOYSA-N 416.415 3.208 5 40 HGBB Cc1nc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)n(C[C@H]2CCCO2)c1C 12535285 ISDXMVUTSPPOPT-CQSZACIVSA-N 408.455 3.457 5 40 HGBB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccc([N+](=O)[O-])c(O)c1 17863429 YKJCMRVVTYPJNS-UHFFFAOYSA-N 422.235 3.082 5 40 HGBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)N[C@H](c1ccc2c(c1)OCCO2)C(C)C 27959650 UOTKMXJUYPNSLU-IBGZPJMESA-N 406.460 3.350 5 40 HGBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc2nsnc2c1 59294155 WYEAKTBKMUNGEQ-UHFFFAOYSA-N 416.469 3.336 5 40 HGBB CCCN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 1898335 REMYJTVERZBCDJ-KNQAVFIVSA-N 418.453 3.171 5 40 HGBB biogenic COc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OC(F)F 3563590 OBTHZOOQECCVSF-UHFFFAOYSA-N 411.313 3.428 5 40 HGBB CCOC(=O)C[C@@H](NC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O)c1ccc(C)cc1 3622784 ZJSMMNUIPOMDBP-GOSISDBHSA-N 424.409 3.434 5 40 HGBB Cc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cccc([N+](=O)[O-])c2)c2ccco2)cc1 4519020 FNAWFMIJRGGFIP-LJQANCHMSA-N 414.439 3.441 5 40 HGBB COc1ccc(C2=NC(=O)[C@@H](CC(=O)Nc3cc([N+](=O)[O-])ccc3OC)S2)cc1 6886474 PSMDJUMPQOYKQQ-MRXNPFEDSA-N 415.427 3.029 5 40 HGBB CCS(=O)(=O)c1ccc(C(=O)Nc2nc3c(OC)cc([N+](=O)[O-])cc3s2)cc1 9707751 RLUIVBGAWAVYOT-UHFFFAOYSA-N 421.456 3.259 5 40 HGBB O=[N+]([O-])c1cnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)nc1NC1CC1 40063266 SHXVKELGNKXVMT-UHFFFAOYSA-N 408.384 3.305 5 40 HGBB O=C1[C@@H]2ON=C(c3ccc(Cl)cc3Cl)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 103559249 VKJQQNNZECEUED-UKRRQHHQSA-N 406.181 3.194 5 40 HGBB COc1cc([N+](=O)[O-])cc2cc(C(=O)NCCc3c(C)[nH]c4ccccc34)c(=O)oc12 1424211 IDUWYTFISIHDER-UHFFFAOYSA-N 421.409 3.472 5 40 HGBB COCCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2F)nc2ccccc21 2616407 HTFQMXQKXMFIMG-UHFFFAOYSA-N 404.423 3.461 5 40 HGBB Cc1c(O[C@H](C)C(=O)NCCCN2CCCC2=O)ccc2c1oc(=O)c1ccccc12 6660212 AIEQUPUSBZVQEW-MRXNPFEDSA-N 422.481 3.151 5 40 HGBB O=C1C[C@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C(=O)N1c1cccc(C(F)(F)F)c1 9334741 DTHCIPXQSDWUDO-GOSISDBHSA-N 419.315 3.440 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Oc2ccc3c(c2)CCC(=O)N3)c([N+](=O)[O-])c1 14200454 KQJQEKCEYAAVQX-UHFFFAOYSA-N 419.459 3.302 5 40 HGBB Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccc(C)c(C(=O)NCC(C)C)c1 223259356 ICALWUKRKRVNEX-UHFFFAOYSA-N 405.476 3.398 5 40 HGBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408679966 FQELNGGOUIPYJL-CDHQVMDDSA-N 419.437 3.349 5 40 HGBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(COc3ccccc3)nc21 2225024 RBFCCIMQVSSBML-UHFFFAOYSA-N 413.433 3.469 5 40 HGBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1Sc1ccc([N+](=O)[O-])cn1 7365886 ZGLZUFQAAUHJCI-UHFFFAOYSA-N 401.448 3.360 5 40 HGBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2c(C)cccc2C)cc1[N+](=O)[O-] 8433721 CLBJHGHQINBNNO-UHFFFAOYSA-N 413.430 3.421 5 40 HGBB COc1ccc2[nH]cc(CCNC(=O)C3CCN(c4ccc([N+](=O)[O-])cn4)CC3)c2c1 13681762 WZMROXQYDCFSLR-UHFFFAOYSA-N 423.473 3.055 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NCC1(c2ccncc2)CC1 95450207 JPADYHBRMNCVHO-UHFFFAOYSA-N 401.366 3.427 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1cc(Cl)ccc1Cl 225079788 VLCFSXYZGQDUSX-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB O=C1N/C(=C/c2cc([N+](=O)[O-])ccc2O)C(=O)N1Cc1ccc(Br)cc1 408930239 UNKNFTWUHAKHBY-RIYZIHGNSA-N 418.203 3.156 5 40 HGBB Cc1nn(CCCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)c(C)c1[N+](=O)[O-] 12372193 HVXKLSWTDZZJHU-UHFFFAOYSA-N 404.408 3.345 5 40 HGBB O=C(Nc1ccccc1Cl)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 28192943 VSJKOGQIBPNIMJ-KRWDZBQOSA-N 423.878 3.430 5 40 HGBB COc1ccccc1NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222373054 TZXOXVWNMNQSLO-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB Cc1cc(C(=O)NCc2ccc(S(=O)(=O)N3CCCCC3)s2)ccc1[N+](=O)[O-] 9963167 IONVTXFKUZHQHY-UHFFFAOYSA-N 423.516 3.069 5 40 HGBB O=[N+]([O-])c1ccc(NC(=S)N2CCOC23CCN(c2cccc(F)n2)CC3)cc1 20405217 HLEBFQAMJATLHX-UHFFFAOYSA-N 417.466 3.155 5 40 HGBB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cc([N+](=O)[O-])ccc2OC)cc1OC 26233037 FCXDTTZIORUJPK-HNNXBMFYSA-N 422.459 3.146 5 40 HGBB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)c1cccc([N+](=O)[O-])c1 26586058 QDSAQIOCXPHCTD-SUMWQHHRSA-N 424.409 3.288 5 40 HGBB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222518744 JOFZSVQUSGKOLX-RDTXWAMCSA-N 405.476 3.017 5 40 HGBB Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)n2)cc1 223772241 NQIKZOYUUXLJFM-UHFFFAOYSA-N 402.432 3.082 5 40 HGBB CCOC(=O)N1CCN(C(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)c2ccccc2)CC1 408921506 IIUVNBMIBDGWEI-CAPFRKAQSA-N 409.442 3.436 5 40 HGBB COc1ccc(OC)c(NC(=O)C2CCN(C(=O)c3ccc([N+](=O)[O-])cc3)CC2)c1 409053082 XCACRDLMPFADQX-UHFFFAOYSA-N 413.430 3.103 5 40 HGBB COc1ccccc1-c1cc(CN(C)S(=O)(=O)c2cccc([N+](=O)[O-])c2)on1 23057256 TXQBYPITJLCBGV-UHFFFAOYSA-N 403.416 3.079 5 40 HGBB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1ccc(C(C)(C)C)c([N+](=O)[O-])c1 32868853 PCWWCBYUWJYDFJ-CYBMUJFWSA-N 419.503 3.373 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@@H]1C[C@@H]2C[C@H]3C[C@H]1C[C@H]2C3 100727458 BTUZUIDUPGWLIR-XCDZQEORSA-N 416.542 3.291 5 40 HGBB Cc1cccc([C@H]2Nc3ccccc3C(=O)N2NC(=O)c2ccc([N+](=O)[O-])cc2)n1 1070702 NDUDDYRBTWBKPT-IBGZPJMESA-N 403.398 3.210 5 40 HGBB COc1ccc(C(O)(C(=O)OCC[N+]2(C)CCCCC2)c2ccc(OC)cc2)cc1 4683786 TUUPYTCUMBDGRD-UHFFFAOYSA-N 414.522 3.113 5 40 HGBB CC(C)(C)P(=NC(=O)c1ccccc1[N+](=O)[O-])(N1CCOCC1)N1CCOCC1 5445246 PHWPGXYIEJAWQW-UHFFFAOYSA-N 424.438 3.229 5 40 HGBB Cc1cc(NS(=O)(=O)c2ccc(Nc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)no1 12275568 PCUQUOHMUABWDD-UHFFFAOYSA-N 419.375 3.344 5 40 HGBB O=C(O)c1cccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)c1 16399277 CWJRRPSXONPWLG-UHFFFAOYSA-N 407.294 3.155 5 40 HGBB CCOC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113895700 WUWOKTNINZCSLQ-UHFFFAOYSA-N 406.460 3.477 5 40 HGBB CCCCn1c(COc2cc(F)ccc2[N+](=O)[O-])nc2cc(S(N)(=O)=O)ccc21 9466745 KKHUYOUSAAJBBJ-UHFFFAOYSA-N 422.438 3.110 5 40 HGBB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 10338876 IZDQSLTXOWRWFM-HNNXBMFYSA-N 405.476 3.313 5 40 HGBB CCS(=O)(=O)c1ccc(-c2cccc(NC(=O)c3ccccc3[N+](=O)[O-])c2)nn1 15880829 RTDDLGGZUMUHCM-UHFFFAOYSA-N 412.427 3.098 5 40 HGBB C[C@H]1CN([C@@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)C[C@@H](C)O1 16790847 NYFHBIAJUKMRKB-ISTVAULSSA-N 410.685 3.130 5 40 HGBB O=C(NC(=S)Nc1cccc(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 17092468 IZVMCNJNRRYREN-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB CC(C)n1ncc2cc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cnc21 17526262 SLCSTOJOMBZZKN-UHFFFAOYSA-N 410.434 3.009 5 40 HGBB CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)OCc1ccccc1[N+](=O)[O-] 19468738 QYUNHLQUPWFEPS-JOCHJYFZSA-N 423.425 3.026 5 40 HGBB O=C(O)C[C@@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1[N+](=O)[O-] 3325316 QFRJJEXXPAFRLK-CYBMUJFWSA-N 419.242 3.396 5 40 HGBB CCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCC3)c(C)o2)cc1[N+](=O)[O-] 40132921 ZQMBJVAJMSHPDS-UHFFFAOYSA-N 407.448 3.095 5 40 HGBB CC[C@@H](NC(=O)COc1ccc([N+](=O)[O-])cc1)[C@@H](c1ccc(C)cc1)n1cncn1 89941935 WYEHBVOAXBSRFE-TZIWHRDSSA-N 409.446 3.058 5 40 HGBB O=C(Cc1cccs1)N[C@H]1CCCC[C@@]12CN(Cc1ccc([N+](=O)[O-])o1)CCO2 306129872 IPFWVSZVAQDAFU-FXAWDEMLSA-N 419.503 3.122 5 40 HGBB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc([N+](=O)[O-])o2)c1 6049307 CEDFFOFYSJUOHU-UHFFFAOYSA-N 401.828 3.124 5 40 HGBB COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2C)cc1[N+](=O)[O-] 7052699 CJCAGXRLWLNOHK-UHFFFAOYSA-N 401.238 3.475 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12977664 IRINFPNJBXLPOG-MRXNPFEDSA-N 404.444 3.200 5 40 HGBB CNc1ccc([N+](=O)[O-])cc1C(=O)OCc1cc2c(cc1Br)OCO2 22357271 QCQQJSUOYPKVAA-UHFFFAOYSA-N 409.192 3.485 5 40 HGBB O=C(Nc1ccc(Cl)cn1)[C@H]1CCCN(Cn2ncc3cc([N+](=O)[O-])ccc32)C1 47252521 SZMOFLFVYDROIW-ZDUSSCGKSA-N 414.853 3.301 5 40 HGBB COc1ccc2[nH]c3c(N4CCN(Cc5ccc([N+](=O)[O-])cc5)CC4)ncnc3c2c1 57063752 UOHYTEGFCCOMBW-UHFFFAOYSA-N 418.457 3.350 5 40 HGBB CC[C@@H](C(=O)N1CCCc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222526241 FQQORPMRQMBYBI-SFHVURJKSA-N 417.487 3.119 5 40 HGBB COc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 226337325 SNGYCLLACMUQBK-QPJJXVBHSA-N 407.220 3.443 5 40 HGBB O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)Nc1ccccc1 9369116 WEUWQWXHOZFQGO-UHFFFAOYSA-N 415.456 3.429 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1NC(=S)NC(=O)CCC(=O)OCCc1ccccc1 12137249 NTFMMOZUOIVXDD-UHFFFAOYSA-N 415.471 3.282 5 40 HGBB Cc1ccc([C@@H](NC(=O)CN2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C2CC2)cc1 12546135 LTGQRKKRINMFEF-HSZRJFAPSA-N 408.502 3.293 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)c2ccccc2)CC1 19162986 VOGRWLBOGNOUFU-UHFFFAOYSA-N 423.878 3.288 5 40 HGBB O=C(COc1ccccc1[N+](=O)[O-])N1CCN(Cc2cccc3ccccc23)CC1 19312618 KZAONIXWOVUFBH-UHFFFAOYSA-N 405.454 3.471 5 40 HGBB CCc1noc(C)c1C(=O)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 20935055 OJLVFEOJCIDASE-UHFFFAOYSA-N 412.368 3.435 5 40 HGBB COc1ccc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])cc1 89356028 NSGIYGATVOIAAN-UHFFFAOYSA-N 419.503 3.414 5 40 HGBB CN(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccccc1 219719771 CRCWLYSZPFJVGY-UHFFFAOYSA-N 411.867 3.288 5 40 HGBB CCc1ccccc1NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220379141 IQKHEUAXKSPGPV-CQSZACIVSA-N 405.476 3.259 5 40 HGBB COc1cc(OC)cc(C(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 6951119 FEHYMOGHFRJESF-UHFFFAOYSA-N 405.838 3.228 5 40 HGBB COc1ccc(-c2noc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)n2)cc1OC 7759205 ZUHUVAHIPSIAKO-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB O=C(/C=C/c1ccco1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16384018 KTQKXGIMBZZMSM-VOTSOKGWSA-N 420.878 3.078 5 40 HGBB O=[N+]([O-])c1ccccc1N1CCN(Cc2nc(COc3ccc(F)cc3)no2)CC1 23358490 QESJPKFJXIOXEO-UHFFFAOYSA-N 413.409 3.018 5 40 HGBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 37342263 RTCIRHFUXSPWHJ-OVCLIPMQSA-N 401.356 3.445 5 40 HGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1Cl)S(=O)(=O)c1ccc(F)cc1 113889653 MOWSNQITNOXQCU-UHFFFAOYSA-N 416.814 3.146 5 40 HGBB Cc1cc(Cl)ccc1NC(=O)[C@H](C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 220406568 PFJLLGVSLXKPHA-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB CC[C@@H](C(=O)NCc1ccc(C)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534506 PHAJJKXTZDBHFJ-SFHVURJKSA-N 419.503 3.073 5 40 HGBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(NC(=O)CSc3ccc(Cl)cc3)cc21 408544776 XQBATFZKJAIDDN-UHFFFAOYSA-N 406.851 3.169 5 40 HGBB Cc1ccnc(SCc2cc(=O)c(OC(=O)c3ccc(C)c([N+](=O)[O-])c3)co2)n1 4377289 FMDSBLVNALNUMA-UHFFFAOYSA-N 413.411 3.466 5 40 HGBB COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 4854032 CFXHUXSMPNJMKX-FQEVSTJZSA-N 413.455 3.199 5 40 HGBB O=C(CSc1nnnn1-c1ccc(Cl)cc1)Nc1ccc(F)cc1[N+](=O)[O-] 9912404 JJIGLKBAYMNASK-UHFFFAOYSA-N 408.802 3.094 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(Cc3ccccc3F)n2)cc1 12375596 GNAWWCGPJZPCRC-UHFFFAOYSA-N 422.376 3.210 5 40 HGBB COc1ccc2cc(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)c(C)nc2c1 12606767 HKQHLJJENXAFDO-UHFFFAOYSA-N 406.442 3.422 5 40 HGBB C[C@@H]1CCCN(C(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)C1 16642625 TXLLJIIVAKUFMR-CQSZACIVSA-N 403.460 3.268 5 40 HGBB CO[C@@H](C)c1nc(CN2CCCN(c3nc4cc([N+](=O)[O-])ccc4[nH]3)CC2)cs1 95941520 XQPNVOSGAXPIAC-ZDUSSCGKSA-N 416.507 3.347 5 40 HGBB CCOC(=O)CN(c1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(Cl)cc1 224714787 LLIXPLWZZORGNN-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB COc1ccc(OC)c(Nc2nc(N(C)Cc3ccccc3)nc(N)c2[N+](=O)[O-])c1 5253099 HLDDAQFNXVUVJA-UHFFFAOYSA-N 410.434 3.364 5 40 HGBB COc1cccc(NC(=O)[C@@H](C)OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 5711978 FCAJLAHZPXKSCI-CQSZACIVSA-N 413.430 3.388 5 40 HGBB CN(CCCNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])C1CCCCC1 32829537 GWCMDMVYDIJVOM-UHFFFAOYSA-N 404.511 3.134 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CC(Oc2ccccc2)C1 58293017 MFMRFHAOIPMKPU-UHFFFAOYSA-N 417.487 3.037 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N(CC(=O)O)c1ccc(C(F)(F)F)cc1 225088206 DOQKSSNVWWSUIN-UHFFFAOYSA-N 418.349 3.202 5 40 HGBB COc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2ccccc2[N+](=O)[O-])cc1 408559707 BJDZVADLQHBPER-UHFFFAOYSA-N 409.398 3.473 5 40 HGBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(Cc2ccc(F)cc2Br)C1=O 11378601 HSIPZEAQBWOWDZ-QGZVFWFLSA-N 422.210 3.464 5 40 HGBB O=C(O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1[N+](=O)[O-] 113883131 DOYJLKLJSJQHGZ-UHFFFAOYSA-N 405.215 3.182 5 40 HGBB COc1ccccc1CNc1c([N+](=O)[O-])nn(-c2cccc(C(F)(F)F)c2)[n+]1[O-] 4924289 HAGUWYXJFLTKIF-UHFFFAOYSA-N 409.324 3.053 5 40 HGBB CN(C)[C@@H](CNC(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1)c1cccc2ccccc12 10333604 RYLLLUGJXUEGBO-FQEVSTJZSA-N 424.432 3.245 5 40 HGBB Cn1ncc2c(-c3ccccc3OCC(=O)O)c3oc4cc(O)cc(O)c4c3nc21 524734705 FLSTUZIWQDAUCE-UHFFFAOYSA-N 405.366 3.409 5 40 HGBB COc1ccc([C@H](O)C[C@H]2c3c(cc4c(c3OC)OCO4)CC[N+]2(C)C)cc1OC 1832915 BJWHKKNMUOMXBE-DLBZAZTESA-N 416.494 3.238 5 40 HGBB biogenic O=C(c1ccccc1)[C@@H]1ON=C(c2ccc([N+](=O)[O-])cc2)[C@]12C(=O)Nc1ccccc12 2330388 TXJHZJYGLJUAQU-GMAHTHKFSA-N 413.389 3.471 5 40 HGBB O=C(CNC(=O)c1ccco1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 6595785 XVAGOEKEQMOZHU-FQEVSTJZSA-N 408.366 3.085 5 40 HGBB Cc1cccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 8040858 ZNRBONPEULNUBJ-UHFFFAOYSA-N 405.476 3.397 5 40 HGBB Cc1c(NC(=O)c2ccc(CS(=O)(=O)N3CCCCC3)cc2)cccc1[N+](=O)[O-] 20488202 KZYMIORQTHNJPB-UHFFFAOYSA-N 417.487 3.471 5 40 HGBB Cc1cc(OCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1[N+](=O)[O-] 22257337 OYJZDSBOUWHYHY-UHFFFAOYSA-N 402.794 3.302 5 40 HGBB O=[N+]([O-])c1cc(-c2nonc2-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc([N+](=O)[O-])c1 100927981 UULROEKZMGABHM-UHFFFAOYSA-N 402.235 3.036 5 40 HGBB COc1ccccc1/N=c1\scc(-c2ccc([N+](=O)[O-])cc2)n1N1CCOCC1 22762168 WPJPEZBECFMAEQ-MRCUWXFGSA-N 412.471 3.334 5 40 HGBB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3cccc([N+](=O)[O-])c3)C2)c1 225923042 YZPNNRMQAUNJIU-MRXNPFEDSA-N 417.487 3.251 5 40 HGBB CCOc1cc([N+](=O)[O-])cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 409245799 ZFGAXFIMEOHALT-RIYZIHGNSA-N 403.778 3.450 5 40 HGBB CCOC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c1C 3313080 QXUVTOMXDISKFE-UHFFFAOYSA-N 423.809 3.165 5 40 HGBB CCOC(=O)c1c(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)sc(C)c1C 3383583 HEVWOELVDVDWDB-UHFFFAOYSA-N 406.416 3.245 5 40 HGBB CC(C)[C@H](NC(=O)CCNC(=O)c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2[nH]1 7942966 ISKUPWZUDWVCRT-IBGZPJMESA-N 409.446 3.105 5 40 HGBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1ccc([N+](=O)[O-])c2cccnc12 12526861 BFUYSOUNIWYNDC-AWEZNQCLSA-N 419.441 3.343 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408686279 RHIGKUOJJYHZKL-XAMWDVODSA-N 419.437 3.183 5 40 HGBB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 3442409 PYRWRABXIOQXCE-UHFFFAOYSA-N 408.794 3.369 5 40 HGBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2)c([N+](=O)[O-])cc1OC 3498062 JSWIPAYDOHPGAY-JTQLQIEISA-N 408.794 3.449 5 40 HGBB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 4517717 GHSZNOKXEXKNMV-UHFFFAOYSA-N 403.441 3.374 5 40 HGBB Cc1c(Cl)cc(S(=O)(=O)N(C)C[C@H]2COc3ccccc3O2)cc1[N+](=O)[O-] 7685492 LYLKRPRGUSRCHR-LBPRGKRZSA-N 412.851 3.017 5 40 HGBB CCC(=O)c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2[N+](=O)[O-])cc1 9713556 RJMQEQSALHEPDU-UHFFFAOYSA-N 420.443 3.001 5 40 HGBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2[N+](=O)[O-])CC1 12744316 FUTHPDLEONDVPY-MRXNPFEDSA-N 410.474 3.063 5 40 HGBB Cc1[nH]n(-c2ccc(F)cc2)c(=O)c1CCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 16205992 JVTDTZZWMGQRCS-UHFFFAOYSA-N 402.357 3.232 5 40 HGBB COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(F)(F)F)[C@H]1c1cccc([N+](=O)[O-])c1 49113250 INXXHECQFQBZDC-HNNXBMFYSA-N 414.336 3.108 5 40 HGBB biogenic COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2CC(=O)Oc3cc(C)n(C)c(=O)c32)o1 524734471 IIWNIAVSTCYFHM-AWEZNQCLSA-N 410.382 3.312 5 40 HGBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)Nc1cccc(-c2nnnn2C2CC2)c1 57994383 NUOXRTBCPUKSOU-UHFFFAOYSA-N 403.402 3.177 5 40 HGBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 409213242 SXVJIFVQPINHIY-YBEGLDIGSA-N 413.411 3.278 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nncn1-c1ccccc1F 9469150 FHAJTQGFWIGLGG-NSHDSACASA-N 417.422 3.443 5 40 HGBB Cc1ccc(C(=O)NCC(=O)NCCCCOc2ccc(Cl)cc2)cc1[N+](=O)[O-] 10305040 MZPDPEKOLFDQLC-UHFFFAOYSA-N 419.865 3.262 5 40 HGBB COc1cc(/C=C2\SC(=N)NC2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 33393899 DHQUWXZBFZOETI-CHHVJCJISA-N 416.371 3.443 5 40 HGBB Cc1cc(C)n(-c2ccc(N3CCC(C(=O)Nc4cccc([N+](=O)[O-])c4)CC3)nn2)n1 62163427 JALCVVVYNUJTAN-UHFFFAOYSA-N 421.461 3.042 5 40 HGBB Cc1n[nH]c(O)c1[C@H](c1ccc(Br)c([N+](=O)[O-])c1)c1c(O)n[nH]c1C 96193533 UOGYYQRCZNTHPI-UHFFFAOYSA-N 408.212 3.012 5 40 HGBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)c([N+](=O)[O-])c1 4736787 SZWSESUNDJCNKE-UHFFFAOYSA-N 417.849 3.387 5 40 HGBB Cc1cc(C)c(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1C 6902974 RGJWTAZGFGWCGV-UHFFFAOYSA-N 412.442 3.396 5 40 HGBB Cc1cc(OCC(=O)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1Cl 8902576 UPQKYULRVNAKDY-UHFFFAOYSA-N 405.838 3.411 5 40 HGBB Cc1nc(CN2CCN([C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 12913590 AJVWQMBNTXFIKH-GFCCVEGCSA-N 423.926 3.158 5 40 HGBB Cc1cc(C)c2c(=O)[nH]c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc2n1 16046123 HXCCOOXGNCBCOR-UHFFFAOYSA-N 400.416 3.002 5 40 HGBB Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccccc3[N+](=O)[O-])nn12 21595737 HBUVMTNJGJTDDX-UHFFFAOYSA-N 410.415 3.087 5 40 HGBB CCc1ccccc1NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222513931 KWJGIBCHCBSAMW-GOSISDBHSA-N 405.476 3.341 5 40 HGBB CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 223581005 JZIJUDNEHUSDKQ-UHFFFAOYSA-N 402.432 3.247 5 40 HGBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2)c(F)c1F 408624810 CAANVCGDMDUVHO-UHFFFAOYSA-N 403.313 3.287 5 40 HGBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1F)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408687696 UTIPWBOGCOEREL-HZPDHXFCSA-N 423.400 3.243 5 40 HGBB Cc1cc(C)n(-c2nc3cc([N+](=O)[O-])c([N+](=O)[O-])cc3nc2-n2nc(C)cc2C)n1 408722513 VENONHJABIMJQS-UHFFFAOYSA-N 408.378 3.051 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N3C[C@H](C)O[C@H](C)C3)c([N+](=O)[O-])c2)CC1 18031111 LTKFKBGNZIBVIC-IRHLINNNSA-N 411.524 3.065 5 40 HGBB CCNc1nc2nc3ccc(C)cn3c(=O)c2cc1C(=O)N[C@@H](C)c1ccccc1 20051753 GYWPFQVYUVZJTA-HNNXBMFYSA-N 401.470 3.474 5 40 HGBB Cc1nnc(COC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)o1 24957150 VHHDKQNGCSYPJH-UHFFFAOYSA-N 414.340 3.265 5 40 HGBB O=C(COc1ccc([N+](=O)[O-])cc1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 408562827 DRQDEYGYBIXICN-BBRMVZONSA-N 401.341 3.003 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1ccc(Br)cc1 8902362 BGXXOXIEPJVHOS-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB CCOC(=O)CSc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1 9366871 RCVKDRGCLCDVKN-UHFFFAOYSA-N 402.841 3.007 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2ccccc2c1)S(C)(=O)=O 10334574 QIMGIBSXWBJUAZ-UHFFFAOYSA-N 413.455 3.461 5 40 HGBB Cc1cc(C)c(NC(=O)CNS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2C)c(C)c1 15329664 YHKPHOFWGKJEIA-UHFFFAOYSA-N 405.476 3.054 5 40 HGBB CCN(CC)c1ccc([C@H](c2c(O)n[nH]c2C)c2c(C)n[nH]c2O)cc1[N+](=O)[O-] 96193538 CNZCPOUWTFAANF-UHFFFAOYSA-N 400.439 3.095 5 40 HGBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408689001 XKIZUHKKVZDWAF-KDURUIRLSA-N 407.426 3.327 5 40 HGBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O 6491947 YDKJMIFBCHPHHK-OQLLNIDSSA-N 402.384 3.454 5 40 HGBB C[C@@H](NC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc2c(c1)CCCC2 8394837 VSGVRWKLYXQOCQ-CQSZACIVSA-N 406.442 3.061 5 40 HGBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nn(-c2ccccc2)c2c1CCC2 14241327 PLEZLHKHVWZAPG-UHFFFAOYSA-N 421.409 3.493 5 40 HGBB Cc1cc(C)nc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)n1 17089913 BYHOATGLKMFRIX-UHFFFAOYSA-N 414.491 3.119 5 40 HGBB CC(C)Oc1cccc(NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c1 220413182 GBEKWQBPTAWOEX-CQSZACIVSA-N 421.475 3.175 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N(C)Cc1ccccc1)S(C)(=O)=O 222371530 DVDMMEXAKWIICG-UHFFFAOYSA-N 419.503 3.108 5 40 HGBB COc1ccc(-c2nnc(CN(C)C(=O)c3cccc([N+](=O)[O-])c3C)o2)cc1OC 408714863 XVWKVXHFAHWZQV-UHFFFAOYSA-N 412.402 3.243 5 40 HGBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1OC 4855155 SAINDXDOCGTTEJ-KRWDZBQOSA-N 410.473 3.048 5 40 HGBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)n2)cc1 6171293 DAMMEAFIFRAJCL-UHFFFAOYSA-N 403.395 3.258 5 40 HGBB COc1ccc(-c2nc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)n[nH]2)cc1OC 8116866 DKXJHOJXCFXTJI-UHFFFAOYSA-N 403.782 3.303 5 40 HGBB COc1ccc(-c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3OC)o2)cc1 9125298 DITHLOYFZWQVMV-UHFFFAOYSA-N 416.415 3.393 5 40 HGBB CCOc1cc2c(cc1NS(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)O[C@@H](C)C2 12560471 WXJBZPDZAKAHAK-NSHDSACASA-N 408.432 3.126 5 40 HGBB O=C(Nc1nc(CCN2C(=O)c3ccccc3C2=O)cs1)c1ccc([N+](=O)[O-])cc1 12960966 HDOTXQMXLPACCV-UHFFFAOYSA-N 422.422 3.142 5 40 HGBB Cc1cc(=O)c(C(=O)N(Cc2ccccc2F)C2CC2)nn1-c1ccccc1[N+](=O)[O-] 19296180 YMDDNONCCSBOCV-UHFFFAOYSA-N 422.416 3.393 5 40 HGBB CC(C)NS(=O)(=O)c1ccc(Sc2nnc(C3CC3)n2C2CC2)c([N+](=O)[O-])c1 25062589 VPYLIPDLQAZCEQ-UHFFFAOYSA-N 423.520 3.237 5 40 HGBB O=C1C[C@H](C(=O)N2CCCc3cc(F)ccc32)CN1c1ccc(F)c([N+](=O)[O-])c1 106003783 FZPTXNATZOYXBQ-ZDUSSCGKSA-N 401.369 3.205 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1ccccc1C)S(C)(=O)=O 222555479 ZZTLDUUYMDNQKL-UHFFFAOYSA-N 421.475 3.097 5 40 HGBB O=C(COC(=O)c1cccc(I)c1)c1ccc([N+](=O)[O-])cc1 1506617 QPHVTPUNFXNXIA-UHFFFAOYSA-N 411.151 3.239 5 40 HGBB CCOc1cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc(OCC)c1OCC 3181435 DKFBWINIFZASSD-QGZVFWFLSA-N 418.446 3.254 5 40 HGBB CC(C)C(=O)N[C@@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl 4774816 FMBKGUAHFQIGDC-NSHDSACASA-N 413.714 3.350 5 40 HGBB COC(=O)c1cc([N+](=O)[O-])cc2c1-c1ccc([N+](=O)[O-])cc1C2=C(N(C)C)N(C)C 3170443 HNMJYROOKAILNJ-UHFFFAOYSA-N 412.402 3.110 5 40 HGBB COc1cc(=O)n(-c2ccccc2)nc1C(=O)Nc1nc2ccc([N+](=O)[O-])cc2s1 15881257 VWWPSTPPJJGIFY-UHFFFAOYSA-N 423.410 3.011 5 40 HGBB COc1ccc([N+](=O)[O-])cc1CN1CCC(C(=O)c2ccc3c(c2)OCCO3)CC1 25151329 KOKMVUVDHWHGTD-UHFFFAOYSA-N 412.442 3.470 5 40 HGBB O=C(Nc1ccccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Br 32115061 YWROIBNHFZXEJB-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB O=C(Nc1cccc(I)c1)c1n[nH]c2ccc([N+](=O)[O-])cc12 40070153 UPWYPLNWPCXBGY-UHFFFAOYSA-N 408.155 3.328 5 40 HGBB COC(=O)C[C@H](NC(=O)c1csc([N+](=O)[O-])c1)c1ccc(Br)cc1 44471027 DFIWORCYURTZDI-LBPRGKRZSA-N 413.249 3.453 5 40 HGBB C[C@H](C(=O)Nc1cccc(Br)c1)N1CCc2ncc([N+](=O)[O-])cc2C1 95466666 JAKMAHCHTKSGBP-LLVKDONJSA-N 405.252 3.138 5 40 HGBB Cc1ccc(C)c([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2C)S(C)(=O)=O)c1 220032646 BJQNURBSHPFNFB-MRXNPFEDSA-N 419.503 3.163 5 40 HGBB Cc1c(NC(=O)[C@@H](C)NS(=O)(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-] 408554525 SVUBWZWBNLFBMW-CQSZACIVSA-N 413.455 3.362 5 40 HGBB Nc1nc(Nc2ccc(OCc3ccccc3)cc2)nc(N2CCOCC2)c1[N+](=O)[O-] 27795837 YMJIUOSHAHAXIO-UHFFFAOYSA-N 422.445 3.126 5 40 HGBB Cc1cc(CN2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)on1 28623504 BWFLVOLBYUDSTR-UHFFFAOYSA-N 406.442 3.444 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N([C@H](C)C(=O)NC1CCCCCCC1)S(C)(=O)=O 220391735 ZLMLYVIHTDGCNX-OAHLLOKOSA-N 411.524 3.287 5 40 HGBB COc1ccc(-c2nn3c(-c4c(C)nc5ccccn45)nnc3s2)cc1[N+](=O)[O-] 227143017 ZWZXCRGKSNSUOR-UHFFFAOYSA-N 407.415 3.393 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)N[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C 1622831244 KZGNOPTXRGHYQJ-LSDHHAIUSA-N 408.455 3.417 5 40 HGBB O=C(NCCOC12CC3CC(CC(C3)C1)C2)c1cc2cc([N+](=O)[O-])ccc2oc1=O 4581007 LNGLQEDNEOGFBK-UHFFFAOYSA-N 412.442 3.416 5 40 HGBB C[C@H](NC(=O)c1ccc(N2CCN(C)CC2)c([N+](=O)[O-])c1)c1ccccc1Cl 12563387 UYXBXXLLCOIWQV-AWEZNQCLSA-N 402.882 3.491 5 40 HGBB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3cc(Cl)c([N+](=O)[O-])cc3c2=O)c1 12814536 WFZCFUCNIWYBQT-ZDUSSCGKSA-N 403.822 3.015 5 40 HGBB Cc1sc(C(=O)NCCNC(=O)c2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 27458262 NOVBBCVOEQHDFO-UHFFFAOYSA-N 402.259 3.431 5 40 HGBB C[C@@H](NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1)c1ccccc1 8412988 UWBQWNIIAKCTEU-OAHLLOKOSA-N 413.430 3.124 5 40 HGBB CC[C@H](C(=O)NCc1ccccc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534405 AIBKFDMQWSEHMI-GOSISDBHSA-N 419.503 3.073 5 40 HGBB Cc1ccccc1OCc1nn(CC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)c(=S)o1 409171457 BQSPPOIZHJJVMW-UHFFFAOYSA-N 416.415 3.346 5 40 HGBB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C(N)=O)c1C 2742706 AITLBMNFYGDKMT-UHFFFAOYSA-N 411.823 3.146 5 40 HGBB O=C(O[C@H](C(=O)N1CCOCC1)c1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 6840693 HGXVEOGLOGIQEU-KRWDZBQOSA-N 404.806 3.005 5 40 HGBB CN1CCN([C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2ccc(F)cc2)CC1 9740476 XXOOBJOLFDFKDF-IBGZPJMESA-N 420.872 3.106 5 40 HGBB CCc1ccc(-c2noc(CCC(=O)NCCNc3ccc([N+](=O)[O-])cc3)n2)cc1 12550909 PMQNMUKASUFROW-UHFFFAOYSA-N 409.446 3.368 5 40 HGBB COC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 12998370 DPIWQMOTYZHGSA-KRWDZBQOSA-N 412.398 3.130 5 40 HGBB O=C(Nc1ccc(CN2CCOCC2)cc1)c1cc([N+](=O)[O-])ccc1Br 17092081 LVEHTFCQRKTKGS-UHFFFAOYSA-N 420.263 3.442 5 40 HGBB CCOC(=O)c1oc2ccc(Br)cc2c1Cn1cc([N+](=O)[O-])ccc1=O 21736267 AARYAMHHLMHGIW-UHFFFAOYSA-N 421.203 3.490 5 40 HGBB C[C@H](NC(=S)Nc1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCOCC1 23182296 BHBJGJZKUKLUFC-SUMWQHHRSA-N 406.533 3.405 5 40 HGBB CCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224518879 ZRTOARCYDCCZCO-IBGZPJMESA-N 413.474 3.089 5 40 HGBB O=C1S/C(=C\c2ccc(N3CCOCC3)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409012063 IRIARWWVXNOHGG-WJDWOHSUSA-N 415.427 3.261 5 40 HGBB O=C1C[C@@H](c2ccc(Cl)cc2)n2nc(NC(=O)c3cccc([N+](=O)[O-])c3)nc2N1 9411277 RFCQFNLRBOXFHS-AWEZNQCLSA-N 412.793 3.024 5 40 HGBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccccc2)o1 12249499 GIQVPXCIJFJANB-UHFFFAOYSA-N 416.415 3.296 5 40 HGBB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 12916936 ZHTHEXUABNAHPI-KRWDZBQOSA-N 423.878 3.430 5 40 HGBB O=C(NC[C@@H](c1ccco1)N1CCN(c2ccccc2)CC1)c1cccc([N+](=O)[O-])c1 56945177 ODNIOBJJKQDIJX-NRFANRHFSA-N 420.469 3.481 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 101957433 GEISVKREEAULSR-IJKBLAIYSA-N 412.406 3.029 5 40 HGBB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)C1=O 2644561 KSDAWAWTVOZFOG-IBGZPJMESA-N 417.805 3.082 5 40 HGBB CCN(CCO)C[C@@H](C)Nc1ccc([N+](=O)[O-])c2sc3ccccc3c(=O)c12 5840877 RCBZMNRNGFRNBY-CYBMUJFWSA-N 401.488 3.438 5 40 HGBB Cc1c(CS(=O)(=O)CCC(=O)Nc2ccc3c(c2)CCC3)cccc1[N+](=O)[O-] 48251402 OYDXOAZRIFJSNO-UHFFFAOYSA-N 402.472 3.336 5 40 HGBB CCc1cc(-n2cc(Br)c([N+](=O)[O-])n2)nc(-c2ccc([N+](=O)[O-])cc2)n1 89282906 UZRBQELLHIWQBR-UHFFFAOYSA-N 419.195 3.471 5 40 HGBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCO)o2)c1 223600698 ZQLRCUROWCWLFG-RTBURBONSA-N 410.455 3.215 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCN1CC[C@@H](N(C)Cc2ccccc2)C1 72308745 NTKUWGCNVGGSEE-LJQANCHMSA-N 412.490 3.138 5 40 HGBB Cc1ccc(NC(=O)/C=C/c2ccc(N3CCCS3(=O)=O)cc2)cc1[N+](=O)[O-] 13018595 BNSCDDMVESHROX-UXBLZVDNSA-N 401.444 3.095 5 40 HGBB O=C(NC(=S)Nc1cccc(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 17092466 PIYJMOUNPOGGDG-UHFFFAOYSA-N 420.878 3.212 5 40 HGBB CSc1ccc(C(=O)OCC(=O)Nc2cccc3nsnc23)cc1[N+](=O)[O-] 19078403 OAABVDYSAAEPFK-UHFFFAOYSA-N 404.429 3.117 5 40 HGBB Cc1ccc(C(=O)Nc2cc3c(cc2N2CCCCC2)n(C)c(=O)n3C)cc1[N+](=O)[O-] 20178397 GOLGXSNWMCSBFP-UHFFFAOYSA-N 423.473 3.336 5 40 HGBB Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)NC(=O)c2cccc([N+](=O)[O-])c2)n1 65591109 IWFYQBYCZHTJJC-CZUORRHYSA-N 402.476 3.232 5 40 HGBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)NCC1=CCCCC1)S(C)(=O)=O 224853648 BVYMJZQCZWIHTH-UHFFFAOYSA-N 409.508 3.066 5 40 HGBB Cc1ccc(OCc2nn(CC(=O)Nc3ccc(O)c([N+](=O)[O-])c3)c(=S)o2)cc1 409162965 KCDHWQUJCLYKBL-UHFFFAOYSA-N 416.415 3.346 5 40 HGBB O=C(CCN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccccc1N1CCCCC1 3318166 PTCDEHGKMMEARY-UHFFFAOYSA-N 422.441 3.210 5 40 HGBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)/C=C/c1ccccc1[N+](=O)[O-] 3350368 CXNZVGPFTLRZDX-MDZDMXLPSA-N 400.387 3.156 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1ccc2c(c1)OCO2 6045361 AHZCEZGUALNMHG-UHFFFAOYSA-N 405.432 3.242 5 40 HGBB O=C(CSc1ccc2nnc(-c3cccs3)n2n1)Nc1cccc([N+](=O)[O-])c1 9599788 SYTBHEWYSUXTLR-UHFFFAOYSA-N 412.456 3.492 5 40 HGBB O=C(COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 409002326 NFIBSDZYZNISNH-SFHVURJKSA-N 412.398 3.122 5 40 HGBB COc1ccccc1[C@@H]1OC(=O)C[C@H]1C(=O)OC[C@H]1CCC[N@+]2(C)CCCC[C@@H]12 1565535410 HWQOIKLWBXMRDS-ZPCZRTTOSA-N 402.511 3.252 5 40 HGBB O=C(Nc1ccccc1I)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3151010 HOKCVEWEVJTQJO-UHFFFAOYSA-N 413.127 3.360 5 40 HGBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc([N+](=O)[O-])cc1 8435494 VHRLGRNFEZRHDJ-UHFFFAOYSA-N 408.282 3.365 5 40 HGBB O=C(NC1CCN(C(=O)c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(F)cc1 25212311 KLZQLASHBIETAZ-UHFFFAOYSA-N 405.813 3.422 5 40 HGBB CCN(CC)[C@@H](CNc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-])CC(C)C 32829346 GOMNYHXDHIBCHY-GOSISDBHSA-N 406.527 3.236 5 40 HGBB CCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224557271 VCJZWUCIAHDIEF-LJQANCHMSA-N 413.474 3.089 5 40 HGBB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409097649 NBFHOIBOXRSCAS-AWNIVKPZSA-N 403.778 3.450 5 40 HGBB COc1ccccc1C[C@@H](O)C[C@@H]1c2c(cc3c(c2OC)OCO3)CC[N+]1(C)C 1317970 BZZSAOAUTFSBKG-QZTJIDSGSA-N 400.495 3.100 5 40 HGBB biogenic O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)CCCC1=O 8475259 REYKZZLPSLGXAJ-UHFFFAOYSA-N 401.806 3.345 5 40 HGBB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])cc1 12859346 GEMJELUQSHBLML-HNNXBMFYSA-N 424.434 3.427 5 40 HGBB COc1cccc(-c2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)c1 17092133 JKHMDUVSVYJZTH-UHFFFAOYSA-N 420.385 3.156 5 40 HGBB CCN(CC)CCN(Cc1cccs1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 48313200 ZZKBLEDJUFQEAV-UHFFFAOYSA-N 411.549 3.497 5 40 HGBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCO)c1 223628259 XVTFZSUAVXWYDZ-VQTJNVASSA-N 423.498 3.135 5 40 HGBB COc1ccc(-c2ccc(OC(=O)c3ccc(OC)c([N+](=O)[O-])c3)nn2)cc1OC 408533099 PTFVBIBZQOQRRJ-UHFFFAOYSA-N 411.370 3.297 5 40 HGBB O=C(Nc1c2c(nn1-c1ccccc1)C[S@@](=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1 11726338 ROXXZRNRDNKQAM-MUUNZHRXSA-N 416.846 3.449 5 40 HGBB Cc1cc(C(=O)NCC(=O)OCc2ccc(OC(F)(F)F)cc2)ccc1[N+](=O)[O-] 24217995 JLIJQMGWDXWFCQ-UHFFFAOYSA-N 412.320 3.275 5 40 HGBB CN(C)C(=O)Oc1cccnc1C[N+](C)(C)COC(=O)[C@H]1C[C@H]2C[C@H]3C[C@H]1C[C@H]2C3 100727463 BTUZUIDUPGWLIR-JKEDJMADSA-N 416.542 3.291 5 40 HGBB Cc1ccc(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 220378964 CTPODZLWODJNGD-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 2346097 DUYBKUVWMWZCHH-CQSZACIVSA-N 423.292 3.261 5 40 HGBB COc1cc(NC(=O)COC(=O)COc2ccccc2Cl)c(C)cc1[N+](=O)[O-] 4978040 JFYQSUARXJTUTP-UHFFFAOYSA-N 408.794 3.126 5 40 HGBB OCCNC(=S)Nc1ccc2nc3c4cccnc4c4ncccc4c3nc2c1 6269325 HRUNPQHAMZZPDO-UHFFFAOYSA-N 400.467 3.158 5 40 HGBB O=c1[nH]c2ccccc2nc1-c1ccccc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1 8710329 WUTAWVVGBFWBAX-UHFFFAOYSA-N 422.422 3.299 5 40 HGBB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)C(=O)Nc1cccc([N+](=O)[O-])c1 9708143 YQGZJDALTIRNFE-IBGZPJMESA-N 420.425 3.047 5 40 HGBB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cnn(-c2ccc([N+](=O)[O-])cc2)c1 32928379 QMVPCMMBPZCDEG-UHFFFAOYSA-N 420.473 3.093 5 40 HGBB CC1CCC(NS(=O)(=O)c2ccc(N3CCO[C@@H]4CCC[C@@H]43)c([N+](=O)[O-])c2)CC1 79017481 LJUJKJKVFZEDCW-VSMZWWAGSA-N 423.535 3.210 5 40 HGBB CCOC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 113885864 ZPPRQYQBYIKBFT-UHFFFAOYSA-N 416.814 3.146 5 40 HGBB Cc1c(NC(=O)[C@H](C)N(c2cccc(Cl)c2)S(C)(=O)=O)cccc1[N+](=O)[O-] 218471011 RYWZISPENWGBRE-LBPRGKRZSA-N 411.867 3.350 5 40 HGBB O=C(O)c1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409343769 IWSARAMTBMRRBV-SXGWCWSVSA-N 412.379 3.212 5 40 HGBB O=C(COC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)c1cccc([N+](=O)[O-])c1 4555480 SMMJMMMINHMHLW-ZDUSSCGKSA-N 402.790 3.027 5 40 HGBB COc1cc2c(c(OC)c1OC)-c1ccc(OC)c(=O)cc1[C@H]([N+](C)(C)C)CC2 5706998 OLIFELOHIWMTQA-QGZVFWFLSA-N 400.495 3.442 5 40 HGBB CC1(C)Cc2cccc(OCC(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2O1 7780288 FVPOIUPOYVRISH-UHFFFAOYSA-N 415.398 3.297 5 40 HGBB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1 223023387 GXYRHYCGFPYGKZ-WOJBJXKFSA-N 423.498 3.399 5 40 HGBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)NCCC1=CCCCC1 5657283 ZUHODQRHLBUMIH-UHFFFAOYSA-N 401.463 3.359 5 40 HGBB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)c(C)c1 7820020 PYIITXQJPNABAJ-ZDUSSCGKSA-N 400.387 3.167 5 40 HGBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14629994 AOGKIJHNLYMIPJ-UHFFFAOYSA-N 401.291 3.253 5 40 HGBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1ccc(-c2noc(CCc3ccccc3)n2)cc1 17091383 IEKMUJHGDDXQPN-UHFFFAOYSA-N 418.413 3.265 5 40 HGBB COC(=O)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cc([N+](=O)[O-])c1 3217241 JMMWETSWKWIFMM-UHFFFAOYSA-N 406.778 3.139 5 40 HGBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ncc(C(F)(F)F)cc1Cl 3269920 UEHYGQFDAPZEIC-UHFFFAOYSA-N 403.700 3.458 5 40 HGBB CC(C)(C)P(=NC(=O)c1cccc([N+](=O)[O-])c1)(N1CCOCC1)N1CCOCC1 4948679 RNBFJIAKAGDNNO-UHFFFAOYSA-N 424.438 3.229 5 40 HGBB O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 6526758 HKHOZOXYMXBHSB-OALUTQOASA-N 406.394 3.407 5 40 HGBB O=C(N[C@H](NCc1cccnc1)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 19316161 RXUPEOSMRLAYCH-AWEZNQCLSA-N 403.653 3.206 5 40 HGBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc(C)c(C)c1 22348312 SKETWUBYYNDEDW-LJQANCHMSA-N 419.503 3.245 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)C(F)(F)F)ccc1NC[C@H](O)c1ccccc1F 40083191 UDASKYVLRVHHFT-AWEZNQCLSA-N 408.329 3.173 5 40 HGBB CCOC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)cc1OCC(=O)c1ccc(F)cc1 40127943 PGUZTPHGLHGOQV-UHFFFAOYSA-N 413.361 3.358 5 40 HGBB CC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 101407715 NXDUPPXYZDNDIK-XRXFAXGQSA-N 417.421 3.008 5 40 HGBB CC[C@H](C(=O)N[C@H](C)c1ccccc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222534954 RLOIHLNSPIPDDE-CRAIPNDOSA-N 419.503 3.325 5 40 HGBB COc1cc(OC)cc(C(=O)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 8814633 HTCOAUHKLFXLRT-UHFFFAOYSA-N 405.838 3.228 5 40 HGBB COc1ccc(Cl)cc1N1C(=O)C[C@@]2(CC(c3cccc([N+](=O)[O-])c3)=NO2)C1=O 9316374 SNNJVSDRIIOXKI-IBGZPJMESA-N 415.789 3.084 5 40 HGBB CC1CCN(S(=O)(=O)c2ccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)cc2)CC1 15592211 IEMDHJNUTNIZNF-UHFFFAOYSA-N 421.450 3.407 5 40 HGBB Nc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1[N+](=O)[O-] 9140962 BIYREAKFCUGYPD-UHFFFAOYSA-N 418.715 3.040 5 40 HGBB CCS(=O)(=O)c1ccc2oc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc2c1 9579867 OLPSAEWLWRCWQK-UHFFFAOYSA-N 421.456 3.260 5 40 HGBB CN(C[C@@H]1COc2ccccc2O1)C(=O)C1CCN(c2ccccc2[N+](=O)[O-])CC1 18004972 ROJSXRYIQGFUKV-QGZVFWFLSA-N 411.458 3.110 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1cc([N+](=O)[O-])ccc1Cl 20410799 GZDOTXROSARNDF-UHFFFAOYSA-N 406.782 3.245 5 40 HGBB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 20410892 SYSVKSLTVRMKGF-UHFFFAOYSA-N 414.487 3.175 5 40 HGBB Cn1ccnc1[C@H](NS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-])c1cccc(F)c1 29965256 LOCYVPUOCGFXPK-MRXNPFEDSA-N 424.841 3.189 5 40 HGBB O=C(c1ccc([N+](=O)[O-])o1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1 36704693 KUKFYNZTYAVQPV-UHFFFAOYSA-N 404.473 3.331 5 40 HGBB Cc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)c1C 218280788 XKICTZOKYHVCAY-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB CCc1cccc(CC)c1NC(=O)CN(c1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 220029489 SCMDPCNKBNKXRA-UHFFFAOYSA-N 419.503 3.433 5 40 HGBB CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)[C@H]1c1ccc([N+](=O)[O-])cc1 3187906 IWPCLJIPNDKHFL-GOSISDBHSA-N 420.425 3.347 5 40 HGBB O=C(CSc1ncc(CO)n1Cc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1 10336388 SILTXKRIDBJZCQ-UHFFFAOYSA-N 416.434 3.202 5 40 HGBB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccc(Br)cc32)cc1[N+](=O)[O-] 16347810 SHGOMXJPGUKLFO-GOSISDBHSA-N 419.231 3.103 5 40 HGBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccccc1[N+](=O)[O-] 20611547 YZMUVRAKZOGJTC-UHFFFAOYSA-N 406.236 3.446 5 40 HGBB O=C(NCc1ccccc1CN1CCC(O)CC1)c1ccc([N+](=O)[O-])c(Cl)c1 95979967 ONRPHIAHSGJWER-UHFFFAOYSA-N 403.866 3.135 5 40 HGBB CSc1ccccc1NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 220390290 SFIGMPVWBJYRHU-ZDUSSCGKSA-N 423.516 3.418 5 40 HGBB COC(=O)CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 224781808 SCYOZTHPVXEZQG-UHFFFAOYSA-N 416.814 3.064 5 40 HGBB COC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225081895 UOEYXZUAGIATNL-UHFFFAOYSA-N 412.851 3.233 5 40 HGBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)[C@H]1CCCN(S(=O)(=O)c2ccccc2)C1 225509770 MUYBLGGRTUKJDG-ZDUSSCGKSA-N 423.878 3.288 5 40 HGBB Cc1c(Cl)cccc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 408661705 HAVBADMLUDEYLR-UHFFFAOYSA-N 419.821 3.457 5 40 HGBB COc1cc(/C=C2/NC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409189623 LSQUJCPWTZVUFF-OVCLIPMQSA-N 417.805 3.358 5 40 HGBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1ccc(-n2ccnc2)cc1 6909171 JJOLJAFYVOJVRX-UHFFFAOYSA-N 414.443 3.357 5 40 HGBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 11851807 RICCMSIVCISBAT-GOEBONIOSA-N 405.410 3.276 5 40 HGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)cc(Cl)c2)cc1[N+](=O)[O-] 224774385 LLGSDCVGQIVXMR-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB O=C(Cn1nc([N+](=O)[O-])nc1Br)Nc1ccccc1-c1ccccc1 679033 DWOLSCYTBNSQRR-UHFFFAOYSA-N 402.208 3.255 5 40 HGBB CCOC(=O)c1ccc(N[C@@H]2SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1 2330962 OBHYISHLOBRHHM-MRXNPFEDSA-N 415.427 3.405 5 40 HGBB CSc1ccc([N+](=O)[O-])c(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 16196527 ZUKPPSIBOIARJR-ZDUSSCGKSA-N 400.456 3.447 5 40 HGBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc([N+](=O)[O-])cc3)C2)s1 25053614 UQSMQBPIBYSLRN-ZDUSSCGKSA-N 409.489 3.004 5 40 HGBB CCc1ccc(C(=O)N2CCN(C(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 25466726 BADQDZFCHIPVHM-UHFFFAOYSA-N 401.850 3.409 5 40 HGBB C[C@H](OCc1ccccc1)C(=O)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 48291113 DFROEGIYKHDNQN-KRWDZBQOSA-N 420.469 3.397 5 40 HGBB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])cc1 408643488 BHGYDNXAEQXJOJ-UHFFFAOYSA-N 400.387 3.203 5 40 HGBB Cc1ccc(C)c(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c1 4579913 LPTSQTPMQFHMGT-UHFFFAOYSA-N 418.471 3.258 5 40 HGBB O=C(COC(=O)c1ccc(Br)c([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 8387271 BPAKFYWYKMNLCK-UHFFFAOYSA-N 409.148 3.305 5 40 HGBB O=C1C[C@@H](c2ccccc2)n2nc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc2N1 16956077 IOOYEZAMYXWJLI-ZDUSSCGKSA-N 412.793 3.024 5 40 HGBB CCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1OC 5838961 FLLZELDTRFDHGV-LBPRGKRZSA-N 418.402 3.195 5 40 HGBB Cc1cc(Cl)ccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(C)(=O)=O 8336296 MWFFYULDDFQODU-UHFFFAOYSA-N 411.867 3.270 5 40 HGBB O=C(CSc1nnc2ccccn12)Nc1ccc([N+](=O)[O-])cc1Br 8391133 LHDBBOXLBDPSAL-UHFFFAOYSA-N 408.237 3.131 5 40 HGBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1 14019299 WOMZZBYPEXGGPR-ZDUSSCGKSA-N 423.878 3.288 5 40 HGBB CCOc1ccc(N2C(=O)c3cccc4c(NCCO)c([N+](=O)[O-])cc(c34)C2=O)cc1 95470805 CHCZHVPKYYPEBH-UHFFFAOYSA-N 421.409 3.352 5 40 HGBB CC[C@H](C(=O)Nc1cc(C)ccc1OC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 222519512 BFLUGSASYXCMNC-QGZVFWFLSA-N 421.475 3.095 5 40 HGBB Cc1ccc(S(=O)(=O)N(CC(=O)O)c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 224776204 IGJYVKSEMLNBFH-UHFFFAOYSA-N 419.242 3.490 5 40 HGBB CCN(c1cc(OC)c(Cl)cc1OC)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 225040433 GXKMPWZSOIKDIO-UHFFFAOYSA-N 400.840 3.481 5 40 HGBB C[C@H](NC(=O)[C@H](C(=O)c1cccc([N+](=O)[O-])c1)n1ccccc1=O)c1ccccc1 9763418 IOUGIFUUGWXXSF-YWZLYKJASA-N 405.410 3.058 5 40 HGBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1cccnc1Cl 11276587 PDGVZFLTSCARTN-UHFFFAOYSA-N 421.840 3.385 5 40 HGBB COCCn1c(-c2cccc([N+](=O)[O-])c2)nc2sc3ccccc3c(=O)c2c1=O 2232222 KQHHHSZUBQNHTM-UHFFFAOYSA-N 409.423 3.193 5 40 HGBB CCOC(=O)c1ccc(NC(=O)c2cccn(Cc3cccc([N+](=O)[O-])c3)c2=O)cc1 10187809 YCRWVXJKLHDINO-UHFFFAOYSA-N 421.409 3.234 5 40 HGBB CCOC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 225072421 LNKUADSRHJRMKE-UHFFFAOYSA-N 412.851 3.315 5 40 HGBB CCOc1ccc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1OC 408568301 SXNKMHKJAAVMSL-UOAUAQBLSA-N 423.469 3.148 5 40 HGBB C[C@H](NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(-n2ccnc2)cc1 7050177 HNKQEKHDDJERIT-LBPRGKRZSA-N 406.851 3.473 5 40 HGBB COc1ccc(S(=O)(=O)Oc2cc(C)nn2-c2ccc(C)cc2)cc1[N+](=O)[O-] 11691494 ZPJQADQHMWERSR-UHFFFAOYSA-N 403.416 3.174 5 40 HGBB COc1cc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccc([N+](=O)[O-])cc23)cc(OC)c1OC 100617084 SHBCXEOFDCFFQV-VBKZILBWSA-N 415.402 3.390 5 40 HGBB Cn1cc(C2=C(c3cn(C)c4cc([N+](=O)[O-])ccc34)C(=O)NC2=O)c2ccccc21 602485 OVSKGTONMLKNPZ-UHFFFAOYSA-N 400.394 3.145 5 40 HGBB investigational CCCOc1ccc(-c2nc3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n3n2)cc1 3636905 FPWZTTGARXXOBP-ATVHPVEESA-N 408.439 3.063 5 40 HGBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)ccc1OCc1ccccc1F 9234965 SUHCXUQUJGHTDR-VQHVLOKHSA-N 413.361 3.281 5 40 HGBB COc1cc(NC(=O)COC(=O)c2cc(Cl)nc(Cl)c2)c(C)cc1[N+](=O)[O-] 9476829 RSZYVVAORFOEFL-UHFFFAOYSA-N 414.201 3.409 5 40 HGBB CCN(CC)CCN(Cc1ccccc1)c1ccc(S(C)(=O)=O)cc1[N+](=O)[O-] 79076440 RVOJPMNLWAYUPB-UHFFFAOYSA-N 405.520 3.347 5 40 HGBB Cc1c(F)cc(S(=O)(=O)Nc2ccc(OCc3nccn3C)cc2)cc1[N+](=O)[O-] 97101406 QDKFRYVFRQQPPA-UHFFFAOYSA-N 420.422 3.156 5 40 HGBB C[C@@]12NC(=S)N[C@@H](c3cc([N+](=O)[O-])ccc3O1)[C@H]2C(=O)Nc1ccc(Cl)cc1 104785622 SPDNQJKWBRBGCH-RLFYNMQTSA-N 418.862 3.131 5 40 HGBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc([N+](=O)[O-])s2)N3)C1 8722316 TYTZJMJRGOMILW-ZDUSSCGKSA-N 408.461 3.087 5 40 HGBB CCOc1cc([C@H]2N[C@H](C(=O)O)CS2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 8920057 YQIOPCAXGAXWEX-YOEHRIQHSA-N 418.427 3.001 5 40 HGBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc([N+](=O)[O-])cc1 20528511 JIXDTMGGVJARKS-UHFFFAOYSA-N 422.363 3.058 5 40 HGBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)N1CCCCC1 106757163 CKCAXABIZXTXSA-ZROIWOOFSA-N 409.851 3.297 5 40 HGBB Cc1c(N(CC(=O)Nc2cccc3ccccc23)S(C)(=O)=O)cccc1[N+](=O)[O-] 220023722 BQTSCGLAWNNDHP-UHFFFAOYSA-N 413.455 3.461 5 40 HGBB CSc1ccc(C(=O)NCC(=O)N2CCC(c3ccccc3)CC2)cc1[N+](=O)[O-] 252571481 YABVZKXFIFMBSQ-UHFFFAOYSA-N 413.499 3.453 5 40 HGBB CCN(CC)c1cc2c(cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1)n(C)c(=O)n2C 408534281 QCJWTCFKZADHJV-FMIVXFBMSA-N 423.473 3.283 5 40 HGBB O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)cc1 9601673 HJUSCYQOJRGZDQ-UHFFFAOYSA-N 416.286 3.413 5 40 HGBB CC(C)C[C@H](CNc1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-])N(C)C 12545911 KEVBCOXWCNOPOM-MRXNPFEDSA-N 412.556 3.158 5 40 HGBB COc1cc(CNc2ncc([N+](=O)[O-])c(NC3CC3)n2)ccc1OC[C@@H]1CCCO1 52187710 KTMWRDRGYZAGTG-HNNXBMFYSA-N 415.450 3.138 5 40 HGBB Cn1cc(C(=O)c2ccccc2)cc1CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 52534286 IPMYWBZDZUFTFF-UHFFFAOYSA-N 404.470 3.487 5 40 HGBB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2)cc1 3383609 JCUYOWDTUZJSHQ-UHFFFAOYSA-N 400.387 3.347 5 40 HGBB Cc1cc(C(=O)OCC(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1[N+](=O)[O-] 8066421 GOFSLMOQKVRHAV-UHFFFAOYSA-N 417.849 3.062 5 40 HGBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)N2CCCCC2)c1 15271311 NVUIJNXLCCYMHA-UHFFFAOYSA-N 419.459 3.030 5 40 HGBB CSc1nc2c(sc3nc(N4CCOCC4)c4c(c32)CCCC4)c2ncnn12 20443313 RTSHHBIKUAJWFR-UHFFFAOYSA-N 412.544 3.325 5 40 HGBB COc1ccc(S(=O)(=O)NC(=O)/C=C/c2cccc3ccccc23)c([N+](=O)[O-])c1 59368883 IHISBWZSICXYLI-FMIVXFBMSA-N 412.423 3.275 5 40 HGBB Cc1ccc(C)c(NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c1 220378479 XMIYGLWBICGGDK-OAHLLOKOSA-N 405.476 3.313 5 40 HGBB O=C(O)CC[C@@H](c1ccc(F)cc1)N1CCN(C(=O)c2cccc([N+](=O)[O-])c2)CC1 408613164 XSYNVYLQGPAUFH-IBGZPJMESA-N 415.421 3.098 5 40 HGBB CCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 6310969 GBYIFYCKCWCRLP-KNQAVFIVSA-N 418.453 3.171 5 40 HGBB biogenic COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)c([N+](=O)[O-])c1 23394320 YLCTVWHWRFPMQA-UHFFFAOYSA-N 419.459 3.077 5 40 HGBB O=[N+]([O-])c1ccccc1[C@H]1c2c(-c3ccc(Cl)cc3)nnc(O)c2Nc2nnnn21 111999923 VLQLALRWOSQUJA-INIZCTEOSA-N 422.792 3.092 5 40 HGBB