smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 9231889 UYLSKRKEFAYLLS-JTQLQIEISA-N 483.116 4.111 5 40 JIBB Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccs2)ccc1F 9569340 AUUIKMSIISTEBS-HXUWFJFHSA-N 462.524 4.357 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1 14291029 HWHIQZLMAIURAR-RMKNXTFCSA-N 480.908 4.456 5 40 JIBB COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3ccc([N+](=O)[O-])cc3)cc(C)c2O)cc1 26786931 WXTHDHFWFDVDTB-UHFFFAOYSA-N 456.476 4.011 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 102705082 KCPCMULNQZKOGI-TZRRMPRUSA-N 473.485 4.435 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223549510 ZVAXKVUYQXZYGO-DHIUTWEWSA-N 456.531 4.348 5 40 JIBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225621044 BJSLOQMNZVRERY-HSZRJFAPSA-N 465.937 4.177 5 40 JIBB CCCN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)c(OC)c2)C1=O 409361105 QALXYICSUAXVER-ODLFYWEKSA-N 492.531 4.126 5 40 JIBB CC(C)(C)NC(=O)[C@H]1Cc2ccccc2CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 8857146 RITBOECONUCGIO-QGZVFWFLSA-N 466.416 4.368 5 40 JIBB CCOP(=O)(OCC)c1nc(-c2cccc([N+](=O)[O-])c2)oc1NCc1ccc2c(c1)OCO2 8868907 OQJUAXWAECPZPF-UHFFFAOYSA-N 475.394 4.482 5 40 JIBB Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] 8896606 KVALNSUHEUAJCE-LBPRGKRZSA-N 474.608 4.341 5 40 JIBB O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9190686 HLGQBRHZJDITRT-QHCPKHFHSA-N 454.841 4.395 5 40 JIBB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2F)cc1 9983081 WRCQUGWRFXASPJ-UHFFFAOYSA-N 495.463 4.109 5 40 JIBB COc1cc(-c2nc3cc(NC(=O)COc4ccccc4[N+](=O)[O-])ccc3o2)cc(OC)c1OC 10120284 GMJAIEUAVDTLCV-UHFFFAOYSA-N 479.445 4.446 5 40 JIBB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 12311921 URSSEGHKSWQMCO-HKWRFOASSA-N 457.442 4.412 5 40 JIBB Cc1nc(-c2cccc(Oc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[N+](=O)[O-])c2)no1 32913361 QBYGGLINHDIYMH-UHFFFAOYSA-N 458.496 4.166 5 40 JIBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)c1 223329387 QPYFWRRQBXLGCE-HSQYWUDLSA-N 450.520 4.401 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408570081 YPLAPUSNCQBVQH-KTIISADKSA-N 473.529 4.233 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408683511 LMXKMNQTTQUTOG-UAOJZALGSA-N 453.882 4.003 5 40 JIBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)C(C)C)cc1 409162617 GLOMJFCQOBPJRQ-NRFANRHFSA-N 496.593 4.198 5 40 JIBB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1OC 9120796 BDHSXUXRBRHXIJ-KRWDZBQOSA-N 482.518 4.134 5 40 JIBB COCCn1cc(NC(=O)c2ccc(Oc3ccc(Cl)cc3[N+](=O)[O-])c(OC)c2)ccc1=O 12855682 MQAVTECQTBVCIE-UHFFFAOYSA-N 473.869 4.110 5 40 JIBB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cc([N+](=O)[O-])ccc1Br 16450420 UKBLSEUCEVJIIF-UHFFFAOYSA-N 463.357 4.474 5 40 JIBB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408640886 KDLJZOTZXPIDDY-GOSISDBHSA-N 453.495 4.242 5 40 JIBB O=C(OCc1ccc(Cl)c(Cl)c1)C1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 862025 SUNITBHUYFRVKJ-UHFFFAOYSA-N 473.334 4.046 5 40 JIBB COc1ccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 874053 QZXBSIPHLQRXDX-MRXNPFEDSA-N 467.551 4.344 5 40 JIBB C[C@@H](NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 12768663 UNFXUWYJZAFODX-AEFFLSMTSA-N 490.491 4.217 5 40 JIBB Cc1c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 409262834 KCZDLARNWAOBIL-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB Cc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4cc([N+](=O)[O-])ccc4OC[C@@H]2CS3)cc1 2659134 FEUOYRRSMVIZFB-YJYMSZOUSA-N 469.544 4.011 5 40 JIBB CS(=O)(=O)c1ccc(Sc2nnc(-c3cccs3)n2-c2ccccc2)c([N+](=O)[O-])c1 9579869 JLIVVBWKUXDRIV-UHFFFAOYSA-N 458.546 4.459 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(Nc2ccccc2)cc1 9588252 WQZASNIYQXTDGR-UHFFFAOYSA-N 455.492 4.152 5 40 JIBB COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)c2cccc([N+](=O)[O-])c2)n1 9847065 XPLDPBGTJAKTEE-UHFFFAOYSA-N 488.504 4.116 5 40 JIBB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1=O 10461927 FWHZHXTWRYRSPM-OAHLLOKOSA-N 458.902 4.088 5 40 JIBB COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(Cl)cc2[N+](=O)[O-])ccc1OC(F)F 13138167 HVQINSJBUPVMLT-XVNBXDOJSA-N 456.785 4.053 5 40 JIBB CCOC(=O)/C(=C/c1ccc(C)c([N+](=O)[O-])c1)C1=Nn2c(nnc2-c2cccs2)SC1 96792826 IIQZQOBFLWTARN-NTEUORMPSA-N 455.521 4.180 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1Cl 408572610 RLYFWQJENXDLPS-LPVCTFIXSA-N 463.921 4.487 5 40 JIBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCCO)C3=O)ccc1Br 408757435 NENUXBCAZJDKEA-UHFFFAOYSA-N 469.291 4.464 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 409130154 LWUMOVAEAQKROZ-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 409253411 UJUUMJQXNQOIBS-GZTJUZNOSA-N 496.863 4.048 5 40 JIBB Cc1cc2cc(CN(CCc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2cc1C 915057 MRZYMVHQMSNCKR-UHFFFAOYSA-N 491.569 4.487 5 40 JIBB O=C(N[C@H](OC[C@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 2137260 DZCYACFALBXCCJ-DDUZABMNSA-N 464.777 4.302 5 40 JIBB biogenic COC(=O)c1nn(-c2ccc([N+](=O)[O-])cc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1 3851644 XXVYKDAFRQNIEF-UHFFFAOYSA-N 463.471 4.067 5 40 JIBB biogenic COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8396691 VFOZYSDNWCXORT-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB O=C(COC(=O)COc1ccc2ccccc2c1Br)Nc1ccccc1[N+](=O)[O-] 9125073 ODTAXRSYEJVHGR-UHFFFAOYSA-N 459.252 4.071 5 40 JIBB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)cc1[N+](=O)[O-] 9955410 SNZFWPBADVIUSD-UHFFFAOYSA-N 461.540 4.117 5 40 JIBB COc1cc(-c2nc3cc(NC(=O)COc4ccc([N+](=O)[O-])cc4)ccc3o2)cc(OC)c1OC 10120285 YIDVUBHZDMLPPA-UHFFFAOYSA-N 479.445 4.446 5 40 JIBB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc([N+](=O)[O-])cc3)cs2)cc1 10220678 ISCRXPFFWNKURX-UHFFFAOYSA-N 498.542 4.384 5 40 JIBB Cc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1 22313599 SFIIMMADGLUUPX-IBGZPJMESA-N 467.547 4.284 5 40 JIBB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 913975 BUQAMHWHZQEBNA-UHFFFAOYSA-N 493.541 4.144 5 40 JIBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@@H]1COc2ccccc2O1 12599859 QKJCUBACZYRSHC-SFHVURJKSA-N 454.460 4.279 5 40 JIBB O=C(CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O)Nc1cc([N+](=O)[O-])ccc1Cl 19869137 XDXQMLGKWTWNOB-UHFFFAOYSA-N 461.858 4.202 5 40 JIBB Cc1[nH]c(C(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c1C(=O)OC(C)C 23558515 QDDZKFBGUKLVMZ-UHFFFAOYSA-N 482.459 4.086 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O 409412245 BRAGWLABEDXQEU-UHFFFAOYSA-N 496.318 4.211 5 40 JIBB O=C(COC(=O)c1cccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1ccc(Cl)cc1 2068061 DWAUVKBTPXEBOT-UHFFFAOYSA-N 483.820 4.448 5 40 JIBB CCOc1cc(-c2nnc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)o2)cc(OCC)c1OCC 9274795 KYCDUMCTMTYJMX-FMIVXFBMSA-N 468.466 4.493 5 40 JIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1C(=O)NCC(F)(F)F 12527092 MUSWCVPFLGSJSR-UHFFFAOYSA-N 453.420 4.086 5 40 JIBB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21 14303192 YYQNHAZDEAEKSH-UHFFFAOYSA-N 472.932 4.093 5 40 JIBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 9191906 DZMGZMXICNHONB-QGZVFWFLSA-N 469.519 4.418 5 40 JIBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(=O)[nH]2)cc(Br)c1OCc1cccc(F)c1 9409902 CKOLOGAOLCQKDY-AATRIKPKSA-N 492.257 4.043 5 40 JIBB Cc1nc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)ccc1I 10372850 SKGHYEBXJUJHAX-UHFFFAOYSA-N 451.264 4.353 5 40 JIBB O=C(COC(=O)c1cc2ccccc2[nH]1)Nc1c(Br)cc([N+](=O)[O-])cc1Br 11228529 MQUNEVMSDMBAEQ-UHFFFAOYSA-N 497.099 4.397 5 40 JIBB Cc1cc(SCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)cc1Br 12648025 DHYNYMDTUQTNHL-UHFFFAOYSA-N 453.314 4.248 5 40 JIBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1 33665836 GPQOMXHQVXVOOU-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1Br)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 59503333 PMASRYMKSDIVKC-YQORSWRPSA-N 475.298 4.234 5 40 JIBB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 408639761 YTHIMJDDGXYQHJ-SFHVURJKSA-N 490.468 4.175 5 40 JIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408920796 NFNJSNTUTGYLBS-UHFFFAOYSA-N 475.523 4.407 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccc(F)cc1 2093635 DRNIWGMOTRWLPP-JYFHCDHNSA-N 484.487 4.100 5 40 JIBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1SCc1cc(Cl)c2c(c1)OCCCO2 9244606 GFGAYSDAYJGRNO-UHFFFAOYSA-N 484.983 4.486 5 40 JIBB CC(C)[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900620 CLQSUEBVWAYKPT-OAQYLSRUSA-N 454.914 4.069 5 40 JIBB Cc1ccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl 9971925 RGGGYZPGQIPRRF-UHFFFAOYSA-N 472.807 4.446 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686879 SNOIHSWLRHLNAA-WOJBJXKFSA-N 498.333 4.256 5 40 JIBB CC1(C)c2cc([N+](=O)[O-])ccc2N(CCO)[C@@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 9185654 OIAJEQMRFXNXOB-HXUWFJFHSA-N 476.283 4.158 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 9345850 XFTLROUOYLTKNN-BDTNDASRSA-N 497.866 4.447 5 40 JIBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NCC(C)C)c1 224145514 NWGANNIBENRREB-IBGZPJMESA-N 457.596 4.326 5 40 JIBB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1ccc(Cl)c([N+](=O)[O-])c1 408544285 VBBCMHGIQUSPNV-UHFFFAOYSA-N 484.719 4.232 5 40 JIBB COc1cccc(C(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1 408682130 IYMDGRYKBVAGLS-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 409355254 JTKPKBJJEAIPPL-ZDUSSCGKSA-N 488.957 4.081 5 40 JIBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCCCC1 3254519 AWEVAFGPTHYXOX-UHFFFAOYSA-N 458.898 4.475 5 40 JIBB COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC 4142142 ZAJWTTXFKYLGPT-NRFANRHFSA-N 467.503 4.152 5 40 JIBB CCc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1 9601530 CKUHPQGEZXAVND-UHFFFAOYSA-N 453.520 4.300 5 40 JIBB C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)csc2C1 9612800 LPYFYZZUGSRMOV-JTQLQIEISA-N 453.314 4.339 5 40 JIBB CCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223036070 WZWZEWPPHFZBQD-HNNXBMFYSA-N 494.411 4.144 5 40 JIBB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C 260914815 BOYFJEGWDHZJCR-ROUUACIJSA-N 491.610 4.376 5 40 JIBB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 678487 WKXLHWLVHMVVQV-FQEVSTJZSA-N 483.402 4.460 5 40 JIBB Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc2sc3c(c2c1=O)CCCC3 2072170 LLAXFUFJYHDHSN-UHFFFAOYSA-N 464.956 4.166 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 9208046 FDFNPCITTCVFBU-UHFFFAOYSA-N 492.623 4.200 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 9443103 BXQFMHXNWLHMNX-UHFFFAOYSA-N 476.514 4.342 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Sc1nc2cc(Cl)ccc2s1 9492274 MCJBOYQFWNVSBX-UHFFFAOYSA-N 471.969 4.030 5 40 JIBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1[N+](=O)[O-] 9614476 KKYUIRMFZGVFLT-AREMUKBSSA-N 460.486 4.228 5 40 JIBB O=Cc1cc(Br)c(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 408845524 HMEHJNDWDSANMY-UHFFFAOYSA-N 462.037 4.353 5 40 JIBB C[C@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4cccc(Cl)c4)n32)C1 2344236 YVDHMGTWNDDGEJ-NSHDSACASA-N 484.010 4.496 5 40 JIBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)CC2)cc1 9192303 AHNRLRMDVHURCF-UHFFFAOYSA-N 458.518 4.372 5 40 JIBB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12653924 LBYCEOITBDNALI-LIRRHRJNSA-N 458.898 4.331 5 40 JIBB O=C(CN(Cc1ccc2c(c1)OCO2)C1CCCC1)Nc1ccc([N+](=O)[O-])cc1Br 12791591 SOVOWUIFBBENNK-UHFFFAOYSA-N 476.327 4.469 5 40 JIBB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 34763228 MECIIWUMSBVIIL-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB CCCn1/c(=N\C(=O)Cc2cccc3ccccc23)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103627859 PEXIBCRZJMEZEG-QVTSOHHYSA-N 494.551 4.059 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223509779 OWMPACNTUSTVEC-PKTZIBPZSA-N 456.531 4.348 5 40 JIBB CC(C)Oc1ccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 408623776 ZEWJHCVZCZLBRM-UHFFFAOYSA-N 469.519 4.216 5 40 JIBB O=C1[C@@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652904 INXWUVPPVMOFKQ-TUUBTQOTSA-N 481.291 4.398 5 40 JIBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 408666984 IMYPFANHTMTTLY-UHFFFAOYSA-N 487.818 4.476 5 40 JIBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1c1nn(Cc2ccc(Cl)cc2)cc1Br 8782539 PTZYOUAIWXNIQE-UHFFFAOYSA-N 461.659 4.056 5 40 JIBB Cc1nn(-c2ccccc2)c(OC(=O)Cc2ccc(F)cc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 11026292 NHQMEQCIRILDOX-UHFFFAOYSA-N 495.488 4.209 5 40 JIBB Cc1ccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cc1[N+](=O)[O-] 12552539 PXHYNZCCHOFZBP-UHFFFAOYSA-N 483.502 4.118 5 40 JIBB C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 18144590 OWFNTBBKSTWTDP-MORSLUCNSA-N 484.892 4.214 5 40 JIBB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 20004830 ZBJCMXCADXXFIF-QFIPXVFZSA-N 481.574 4.357 5 40 JIBB COc1ccc(-c2nn(Cn3ccc([N+](=O)[O-])n3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 22715935 XBCINMHVTCHMNM-UHFFFAOYSA-N 479.493 4.170 5 40 JIBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)cc(Cl)c2)cc1 32640717 JDVQDGFBIYJXBI-DLBZAZTESA-N 472.375 4.177 5 40 JIBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 62625857 VFGZCIUZWFVZIP-LJQANCHMSA-N 477.477 4.087 5 40 JIBB CCOc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(C)S(=O)(=O)c1ccccc1 224817992 OURJSWPFZQLPTP-UHFFFAOYSA-N 483.546 4.375 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409018680 XPGPEQYNWVLXTB-VCBXAZPMSA-N 450.856 4.496 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)c1 409203786 XZCDCQAYRLUBBR-SXGWCWSVSA-N 476.308 4.341 5 40 JIBB CCCN1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13940477 WMTLKFQKXFEMDO-QFIPXVFZSA-N 451.504 4.355 5 40 JIBB CCn1c(Cc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14091749 YEXVRJVHIUIZDY-UHFFFAOYSA-N 461.931 4.190 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1N1CCOCC1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20611784 ABFFVWFYOJTOKE-UHFFFAOYSA-N 462.871 4.460 5 40 JIBB COC(=O)c1c(NC(=O)c2noc(C)c2Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CCCCC2 22745402 KKCIFFJDIMJSGX-UHFFFAOYSA-N 487.538 4.122 5 40 JIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546840 JQTZLNSGAZKAIW-DVECYGJZSA-N 464.591 4.334 5 40 JIBB O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1 100553186 LTRTUORHXGPHGQ-UHFFFAOYSA-N 467.346 4.243 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409045703 HEAZOIHXOCWANQ-ZCOIRKDISA-N 468.465 4.091 5 40 JIBB O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1ccc(Cl)c([N+](=O)[O-])c1 2643260 ZHVMXLVMNVAVHU-UHFFFAOYSA-N 499.310 4.065 5 40 JIBB CC(C)C[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 8719734 RUDWJVCZEOTAKN-FQEVSTJZSA-N 457.556 4.455 5 40 JIBB Cc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9122116 CWKLJPACDGYDAK-UHFFFAOYSA-N 456.546 4.428 5 40 JIBB COc1ccc(NC(=O)c2ccc(NC(=O)COC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)cc1 13097086 NHHLUWXWCBHVON-UHFFFAOYSA-N 483.864 4.305 5 40 JIBB Cc1c(NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 22232812 WTGJAZNHBHCWIB-UHFFFAOYSA-N 487.509 4.026 5 40 JIBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(c2cc(-c3ccccc3)c3ccccc3n2)CC1 34891235 KYUOAQSPNHIQAB-UHFFFAOYSA-N 474.542 4.321 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225096124 XGBFNFWYAGKRQR-RBUKOAKNSA-N 457.596 4.468 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225423081 DKTUKZKSUDFCII-RTBURBONSA-N 457.596 4.203 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 408566280 FFMZHAPNBQOOGU-UWSFRGMNSA-N 463.921 4.487 5 40 JIBB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408645778 IHITVRBMYFJOKL-UTKZUKDTSA-N 488.496 4.438 5 40 JIBB CC(C)OC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 409370100 LAHUWGBINZPNTF-BAWWGMJKSA-N 482.492 4.037 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1CCC 9088095 FXMQFUVZDQRIIR-BKMJKUGQSA-N 478.549 4.191 5 40 JIBB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2[C@H]1c1ccccc1 13643529 XIZZDEJLRJSNCB-IBGZPJMESA-N 457.446 4.061 5 40 JIBB COc1ccc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])cc1 229857067 SEURAFXKYPYKPI-WSOYEBOPSA-N 471.469 4.499 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408688883 XATLHNUNSDUVFQ-MOPGFXCFSA-N 453.882 4.147 5 40 JIBB Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)cc1Cl 2720094 DDGUMMSOBNMVBG-UHFFFAOYSA-N 488.978 4.482 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 3323144 WMDCXSRVDINHAH-QGZVFWFLSA-N 499.545 4.225 5 40 JIBB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)cc2)c1 8832305 GFWDCYDOSJUYJR-UHFFFAOYSA-N 460.490 4.244 5 40 JIBB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@H]23)cc1OC 8918020 AIJDFFXFTOATQM-BKFSCITFSA-O 493.624 4.427 5 40 JIBB Cc1nc2sccn2c1C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9115540 ZQZMOIXZFICNOC-UHFFFAOYSA-N 476.923 4.298 5 40 JIBB COc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1F 9116138 NAQRYKMGQRPXFT-HNNXBMFYSA-N 487.509 4.343 5 40 JIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(I)cc3)nc12 10010547 NEGVWRKLIIJSTL-UHFFFAOYSA-N 455.233 4.070 5 40 JIBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NCc1ccccc1CN1CCOCC1 12519941 HPZWNDPEUXTBQT-UHFFFAOYSA-N 497.624 4.276 5 40 JIBB Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12559222 MSPNOVUEHQLQJM-IBGZPJMESA-N 477.974 4.260 5 40 JIBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3ccc(F)cc3)c3nnnn3C3CCCCC3)CC2)cc1 13503738 PTRDIZIZLVWTRF-QHCPKHFHSA-N 465.533 4.137 5 40 JIBB CCOc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc(I)c1OC 408616907 ARCBSOXWYUFCAJ-UHFFFAOYSA-N 456.236 4.167 5 40 JIBB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409331503 FXTJHZJWFNBGBY-QFIPXVFZSA-N 469.494 4.106 5 40 JIBB Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)n1 947842 JXAOCLNPVFWZQO-UHFFFAOYSA-N 486.509 4.098 5 40 JIBB CCCCOc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc(OC)c([N+](=O)[O-])c2)cc1 2501386 OPBRQISUSYMMQI-HXUWFJFHSA-N 452.554 4.219 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@H](c2cccnc2)c2c([nH]c(SCc3ccc([N+](=O)[O-])cc3)nc2=O)N1 9393875 MKJSCRVJILEMEI-IBGZPJMESA-N 493.545 4.148 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 14273551 HZMSTCQPHWSINK-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19820118 QXPRZJTWGBCSSM-DHIUTWEWSA-N 470.485 4.260 5 40 JIBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Cl)c([N+](=O)[O-])c1 22715809 NCDBRFYINWPCJR-UHFFFAOYSA-N 486.834 4.060 5 40 JIBB Cn1c(Sc2ccc([C@@H]3NC(=O)c4ccccc4O3)cc2[N+](=O)[O-])nnc1-c1ccccc1 59488546 UPBLXBZRRDPLBQ-JOCHJYFZSA-N 459.487 4.363 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408687527 UNWHNODGHZUVPV-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1-n1nnc2ccccc21 8671599 GPASAOIPUJJXRX-UHFFFAOYSA-N 463.397 4.148 5 40 JIBB aggregator CC(C)N(C(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc(Nc2ccccc2)cc1 8761507 PCYRBJNIQNPNOO-UHFFFAOYSA-N 457.490 4.490 5 40 JIBB O=C(c1ccccc1Br)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8809776 SKUBCAXSSGGSCO-UHFFFAOYSA-N 458.234 4.339 5 40 JIBB CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)[C@@H]1c1ccccc1 9240137 MCKVAJLAXMBZIS-HOFKKMOUSA-N 488.544 4.284 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cccc(Cl)c1 16398793 RUKOUFLMCQXBRL-UHFFFAOYSA-N 472.876 4.104 5 40 JIBB COc1ccc(-c2noc(CN(CC(C)C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1OC 22257497 MPSPFERSWHMGPR-UHFFFAOYSA-N 484.509 4.034 5 40 JIBB COc1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 33784574 SEVUFEQYQGKBJV-UHFFFAOYSA-N 468.849 4.283 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 408564390 CMHJFVUJDZVODL-TUPPOGIXSA-N 473.504 4.459 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 409220030 SUAIFLFEEFSEFL-FRKPEAEDSA-N 465.846 4.071 5 40 JIBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCC(=O)c1ccc(Cl)s1 3451295 MQJIKOYIQCHXFS-INIZCTEOSA-N 459.307 4.144 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 9045801 TUVIACLWIODXFI-VPBXCIAMSA-N 479.492 4.302 5 40 JIBB O=C1N(c2ccccc2)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@@H]32)C(=O)N1c1ccccc1 9090175 AASYSELUNHFJHJ-HSZRJFAPSA-N 482.496 4.306 5 40 JIBB CCOc1cc(Br)c(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 9644333 RFQREFABVCHLQR-NRFANRHFSA-N 492.326 4.122 5 40 JIBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225030618 RXKRGOONMAZSKE-QFIPXVFZSA-N 483.565 4.239 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCCN12 408563979 BWMNHDSUEROJQQ-FCRYVSRXSA-N 473.504 4.459 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409179286 QWJPPKKAVGXZHX-IUXPMGMMSA-N 491.909 4.336 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C(=O)OCC)cc1 2404294 YVGDNPCPDLCESQ-UHFFFAOYSA-N 485.544 4.195 5 40 JIBB COc1ccc(/C=C/C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc1OC 9390994 JMVCJGCHQRASBL-ONNFQVAWSA-N 452.492 4.196 5 40 JIBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(Cl)c(Cl)c1 12805526 RGQDMSRYFNRLMG-UHFFFAOYSA-N 458.304 4.443 5 40 JIBB COc1ccc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1[N+](=O)[O-] 89365252 GCEXHJLRUWKPGV-UHFFFAOYSA-N 476.894 4.301 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 408669640 XSOUIENRBPOCRT-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB O=c1c2ccccc2nc(SCc2ccc([N+](=O)[O-])cc2)n1OCc1ccc([N+](=O)[O-])cc1 1840367 ZDXKMRLACPURKR-UHFFFAOYSA-N 464.459 4.134 5 40 JIBB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3375502 DOFBLAGEJBSICT-XCVCLJGOSA-N 481.458 4.137 5 40 JIBB CC(=O)Nc1cccc(-c2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)c1 8590939 IRYWVRUTXXBBQO-UHFFFAOYSA-N 477.296 4.341 5 40 JIBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)cc1 13954903 NSGOHNGBPSRUED-UHFFFAOYSA-N 458.518 4.426 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 15945351 OVKIGWJWZJTXOL-ISQHLFTMSA-N 475.844 4.033 5 40 JIBB Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 17052165 GTALGWRUDDPIHW-UHFFFAOYSA-N 462.535 4.144 5 40 JIBB O=C(CCN1CCN(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 17179102 VTBWKUVXXSMHPR-MUUNZHRXSA-N 497.599 4.480 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 19820493 UVAXZSREBREIAA-ZEQRLZLVSA-N 484.512 4.303 5 40 JIBB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 20105836 RQPOZUGPANFSNW-UHFFFAOYSA-N 473.938 4.102 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 33888007 OVSIARYNMALIOU-CJRSTVEYSA-N 483.455 4.132 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223744253 GGARCWIBSABDJV-YADHBBJMSA-N 466.519 4.176 5 40 JIBB CC[C@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260740978 CHSIFAJCIWPABX-LEWJYISDSA-N 489.594 4.338 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)c1 409093758 BAJUAGWHMZMBAM-NDENLUEZSA-N 460.446 4.003 5 40 JIBB COc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)nnc2-c2ccncc2)cc1 6280735 SYXWCGACLPMTTO-UHFFFAOYSA-N 476.518 4.285 5 40 JIBB O=c1oc2ccccc2c(O)c1C(c1cccc([N+](=O)[O-])c1)c1c(O)c2ccccc2oc1=O 8768335 WGXVUBFJTUAQOL-UHFFFAOYSA-N 457.394 4.399 5 40 JIBB biogenic COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 9714713 MRWCZTWNWLZLSQ-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224290302 BRQLQEYNMDXEFU-RUZDIDTESA-N 477.536 4.443 5 40 JIBB CCc1ccc([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 225879631 LWXGDNVJQFXBDO-SFHVURJKSA-N 467.547 4.230 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)Cc1ccccc1 408586302 MRHDWHFCMMMCHA-UHFFFAOYSA-N 483.546 4.050 5 40 JIBB CCOC(=O)C1CCN(C(=O)c2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 408976963 UCDVIEWLTHSFLK-UHFFFAOYSA-N 465.513 4.295 5 40 JIBB CC(C)[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 409171120 ZDPGRCLNMWGPJL-SFHVURJKSA-N 488.957 4.224 5 40 JIBB CCOC(=O)N1CCN(C(=S)Nc2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)CC1 409331335 BCTJUGROWKFOPO-UHFFFAOYSA-N 497.584 4.350 5 40 JIBB O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1 852546 UBOGFDAJABJWBG-UHFFFAOYSA-N 485.905 4.061 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1 1370881 WDKGUSWCHSYYEA-UHFFFAOYSA-N 480.937 4.277 5 40 JIBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc3c(c2)OCO3)cc1 2251851 XCMRCZXMTQPRMP-UHFFFAOYSA-N 461.481 4.369 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C 8435619 WAQZRXHCAAWDCA-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1cccc([N+](=O)[O-])c1 14409785 GFCHSRVISIKULL-UHFFFAOYSA-N 462.329 4.367 5 40 JIBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224235499 VENSZHZOSXPWAL-QFIPXVFZSA-N 483.565 4.157 5 40 JIBB O=c1sc2cc(S(=O)(=O)Nc3cc([N+](=O)[O-])ccc3Cl)ccc2n1Cc1ccccc1 225748298 JMGXSOMPKLIZNW-UHFFFAOYSA-N 475.935 4.474 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(C)cc(C)c2)cc1 409027875 IBAODXTVTIAHOJ-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409137997 YCTFBLIHLUYKSY-MRXNPFEDSA-N 482.566 4.045 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1C 9191903 AMPLYLPRFGQHOC-QGZVFWFLSA-N 469.519 4.418 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 19818218 XFLNQVXXESXTEN-SFTDATJTSA-N 450.495 4.106 5 40 JIBB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12 20675671 VPENBNZRDJUFPS-RTWAWAEBSA-N 450.495 4.250 5 40 JIBB Cc1cc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([N+](=O)[O-])cc1C 24715623 NRTBZQSOXUFVIH-UHFFFAOYSA-N 485.894 4.430 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)NC12CC3CC(CC(C3)C1)C2 32876747 KDMBCQSZRCBOSA-UHFFFAOYSA-N 490.585 4.471 5 40 JIBB O=C(CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)Nc1ccccc1F 409199386 CBMZPSZIHFVWNU-LICLKQGHSA-N 484.827 4.179 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1ccccc1Cl 12566707 MLNKWELASWHUMV-QGZVFWFLSA-N 457.335 4.497 5 40 JIBB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 409329104 CRUQOJYIMQXCNY-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB O=C(c1ccc(Cl)cc1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9015979 KZAPBMKHPNTFAC-UHFFFAOYSA-N 458.780 4.138 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(Cc2ccc(Br)cc2)o1 10475649 HOFIGXBGYXHTAC-UHFFFAOYSA-N 463.313 4.370 5 40 JIBB CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102749453 INKGUAIAJDNUEY-XPWALMASSA-N 461.449 4.347 5 40 JIBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225644165 NULUQMCYDAFWGM-HSZRJFAPSA-N 465.937 4.177 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 408685154 OUUHHVZORSCIKE-JSNMRZPZSA-N 453.882 4.003 5 40 JIBB COC(=O)C(=Cc1cc(Cl)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C(=O)OC 409080035 KSNYLZJLVQIAFO-UHFFFAOYSA-N 471.205 4.332 5 40 JIBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 409119121 RFKZEOVUOZXUAE-KGENOOAVSA-N 492.513 4.459 5 40 JIBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409263530 HLRKCSXJIFRHMY-UHFFFAOYSA-N 483.546 4.444 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12 8868309 DZCZGCBUQMQNIL-UHFFFAOYSA-N 457.430 4.113 5 40 JIBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 8922465 UIYMRJUXORNEIF-AREMUKBSSA-N 460.486 4.043 5 40 JIBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1cc(OC)cc(OC)c1 19928859 LHSMWARZWGSNFH-UHFFFAOYSA-N 471.539 4.238 5 40 JIBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 39756256 FYFBUAQPQAXPFZ-UHFFFAOYSA-N 474.389 4.058 5 40 JIBB O=C1[C@H]2[C@@H](c3cc([N+](=O)[O-])ccc3Cl)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102770057 JGMJWZMVMXJXCW-BHDDXSALSA-N 463.877 4.295 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224914913 VHWGQWZWPGOITE-CQSZACIVSA-N 452.338 4.388 5 40 JIBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2cc(C)ccc2OC)cc1 408596736 XSNUPOOGNLXREH-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB Cc1cccc(-n2c(SCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 3410828 IWQHJUWUZAAWNZ-UHFFFAOYSA-N 464.478 4.472 5 40 JIBB COc1ccc(OCc2nnc(SCC(=O)Nc3cccc([N+](=O)[O-])c3)n2-c2ccccc2)cc1 6156961 LULCMVIFTJFPGH-UHFFFAOYSA-N 491.529 4.494 5 40 JIBB C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8445724 MALAUNNEZDDMRB-INIZCTEOSA-N 460.519 4.416 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 9391238 QVWXQRAGCNKRPJ-QFIPXVFZSA-N 466.519 4.158 5 40 JIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 19868298 XEUQZPFWKFJXLF-UHFFFAOYSA-N 472.350 4.082 5 40 JIBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NCc3ccccc3)cc2Cl)cccc1[N+](=O)[O-] 408564451 YHOPBVFBYGOBGR-UHFFFAOYSA-N 489.937 4.053 5 40 JIBB COc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 408917762 AWQBOKMHSVEMTM-YCIYHOANSA-N 460.873 4.351 5 40 JIBB O=C(OCC(=O)N1CCCC1=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3371064 DKEKSCLXWBUMDB-UHFFFAOYSA-N 468.409 4.071 5 40 JIBB COc1ccc(N(Cc2c(C)noc2C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9282950 YTLYXEAYRVAXBO-UHFFFAOYSA-N 451.888 4.257 5 40 JIBB Cc1nn(-c2ccccc2)c(OC(=O)C2CCCCC2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976831 WZMFOZKWNHCVMT-UHFFFAOYSA-N 469.519 4.407 5 40 JIBB COc1ccc(OC)c(CN2CCN(c3ccc(C(=O)c4ccccc4)cc3[N+](=O)[O-])CC2)c1 57366478 VNVXDDHQCNJVIH-UHFFFAOYSA-N 461.518 4.165 5 40 JIBB O=C(COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl 9373650 RSSRFGRNJMDEGK-UHFFFAOYSA-N 467.309 4.473 5 40 JIBB O=C(O[C@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)c1cc(Cl)ccc1[N+](=O)[O-] 9508456 KWHHLLCXGRZYAG-ZDUSSCGKSA-N 468.249 4.271 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565245 JCUJYUOUQSTCJM-NIDLKEISSA-N 463.921 4.441 5 40 JIBB CCn1c(S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408635074 YNWSDCWVLXJOMW-DJKKODMXSA-N 470.507 4.417 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408636528 RRHUTNZYGTZBJV-UHFFFAOYSA-N 491.909 4.075 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684444 NIEAFZANFAQLFT-RBUKOAKNSA-N 498.879 4.055 5 40 JIBB CCCCn1c(-c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)nc2oc3ccc(Cl)cc3c(=O)c2c1=O 8836299 KKZRRHZZNDDBSN-UHFFFAOYSA-N 470.825 4.440 5 40 JIBB COc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 9064650 GFBWONKSXHIIJD-UHFFFAOYSA-N 471.564 4.330 5 40 JIBB CN(C)c1ccc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)c(C(F)(F)F)c1 32832484 LNACWSWTKQVYBI-UHFFFAOYSA-N 452.389 4.006 5 40 JIBB CCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222987231 HCNTWHJTHYHJMF-OAHLLOKOSA-N 494.411 4.144 5 40 JIBB O=C(COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408592768 OLXLZLLRPNUSHB-UHFFFAOYSA-N 461.883 4.067 5 40 JIBB Cc1ccc(C(=O)COC(=O)c2cc(Br)c(N)c(Br)c2)cc1[N+](=O)[O-] 1313101 YAZVXFNLLMHIQY-UHFFFAOYSA-N 472.089 4.050 5 40 JIBB Cc1cc(Br)ccc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9064793 OWKJAWPXIUFWIH-UHFFFAOYSA-N 463.357 4.393 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9715064 FLNUNILRCUBSRD-UHFFFAOYSA-N 472.567 4.012 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 19820489 UVAXZSREBREIAA-BJKOFHAPSA-N 484.512 4.303 5 40 JIBB O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 36416290 GGFOEEAMEYXTMC-WAOWUJCRSA-N 493.369 4.098 5 40 JIBB N=c1c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1C1CCCCC1 101144605 MQYHWKCZHMIVNN-UHFFFAOYSA-N 461.953 4.217 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O 224832523 VYPWAQTVYLNHHY-UHFFFAOYSA-N 483.546 4.040 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408567255 QRBXGMYTXFTQIJ-FESMNKHTSA-N 473.529 4.186 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)CC(=O)Nc2ccc(C)cc2)cc1 9953332 BKPVKQNUWYTRBI-UHFFFAOYSA-N 463.490 4.055 5 40 JIBB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13591571 YGVCGZPOBKYGTL-IBGZPJMESA-N 481.526 4.013 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408689862 ZGDBBSPXJTVLIO-XMCHAPAWSA-N 455.898 4.227 5 40 JIBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1)C2=O)c1ccc([N+](=O)[O-])cc1 990446 OWVQCEOHYXPGDY-UHFFFAOYSA-N 464.817 4.089 5 40 JIBB CC(C)C(=O)N1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccccc4)c4ccccc4c3=O)c2)CC1 9066201 ZBQAFPXQDQWPPV-UHFFFAOYSA-N 497.555 4.266 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1C 9191901 JTKAVFWJBXKFLZ-QGZVFWFLSA-N 469.519 4.418 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 19820708 LAGCNVVLOOVMAM-RPWUZVMVSA-N 484.512 4.303 5 40 JIBB COc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)c1 19856027 PPQYTHMVGAQLBF-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@@H](C)c2nc3ccccc3s2)CC1 26262960 TZWLWOCLYCNPII-KRWDZBQOSA-N 453.568 4.220 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317231 CCTZKEDPDIFAKX-UHFFFAOYSA-N 452.191 4.420 5 40 JIBB COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)c([N+](=O)[O-])c1 408917761 AWQBOKMHSVEMTM-NFJKTXFASA-N 460.873 4.351 5 40 JIBB O=C(NCCn1cc(SCC(=O)N2CCCCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9391912 AGJVCYHGJPGQNG-UHFFFAOYSA-N 466.563 4.084 5 40 JIBB O=C(CCCC(=O)OCCCc1ccccc1)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 12137378 DRDSUCMULYOYQJ-UHFFFAOYSA-N 463.943 4.408 5 40 JIBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 12342232 SRTNFJHEDZGPIU-UHFFFAOYSA-N 481.353 4.411 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35855394 QHZSRBHYUUQZRB-KWNHSTDBSA-N 486.553 4.117 5 40 JIBB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39748775 QHIOKKPFGWJVPE-UHFFFAOYSA-N 459.418 4.158 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409228993 IFTRLHSIJDODBO-UDWIEESQSA-N 459.458 4.275 5 40 JIBB COc1cc(-c2cc(C(=O)Nc3ccc([N+](=O)[O-])cn3)c3ccccc3n2)cc(OC)c1OC 9139401 RIRHNMWKYSVEKF-UHFFFAOYSA-N 460.446 4.483 5 40 JIBB CCCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 9168314 PGMOCGZDIZXQEI-RCZVLFRGSA-N 460.534 4.341 5 40 JIBB biogenic O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)cc1[N+](=O)[O-] 9714099 IVDUBVQDWASGIU-UHFFFAOYSA-N 454.295 4.330 5 40 JIBB COC(=O)c1cc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@H]2C)OCCO4)cc([N+](=O)[O-])c1 10368832 WUIVUFVLDXQQPT-OAHLLOKOSA-N 466.490 4.181 5 40 JIBB CCN(CC)[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(OC)c1 11381402 VDOUXQBCXWVVKL-XMMPIXPASA-N 479.581 4.278 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccccc1F 101176838 PBVNLEWAYKKARW-KRUMMXJUSA-N 488.519 4.211 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408689683 YVBWHLPROFKWAK-FEBSWUBLSA-N 486.311 4.266 5 40 JIBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 408700090 AUJHKCGQPVTUQS-GOSISDBHSA-N 475.567 4.075 5 40 JIBB CCN(CC)C(=O)[C@H]1CCCN(C(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)C1 408993434 CVIYYTGGPSRKLA-INIZCTEOSA-N 481.622 4.077 5 40 JIBB CCCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)cc1 2448041 MFBOMNWWQBQNOL-STZFKDTASA-N 474.498 4.323 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@H](CCOC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 3445740 PIXPEODQSCIIAV-JOCHJYFZSA-N 454.504 4.170 5 40 JIBB O=C1N=C2N(CCN3CCCCC3)c3ccccc3N2/C1=C/c1cc([N+](=O)[O-])ccc1Cl 8397216 GPXBTXVAQNCDFE-RCCKNPSSSA-N 451.914 4.298 5 40 JIBB O=C(CNC(=O)c1ccc(Br)cc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10040041 PTJJHDGIBISIOQ-JOCHJYFZSA-N 497.301 4.255 5 40 JIBB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 14271288 SZMDIPRNUOMPML-UHFFFAOYSA-N 469.567 4.306 5 40 JIBB Cc1cc(C)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)c(C(=O)N3CCOCC3)sc2n1 32836872 CURQMHSZHZBZJQ-UHFFFAOYSA-N 474.926 4.199 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 62591913 NAVDHXJKTZKRAD-INIZCTEOSA-N 498.026 4.462 5 40 JIBB CCOC(=O)/C=C/c1cc(I)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1 226337380 IKLDDLKVTMSSPM-RMKNXTFCSA-N 483.258 4.363 5 40 JIBB CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 229665592 WVFGNIMBQFZYTP-FQJHJXCSSA-N 479.492 4.157 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408682218 JFXKWNJVCURKDN-ISZNXKAUSA-N 486.311 4.266 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408686558 RVOWNEMNMDHKLA-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB O=C(CCC(=O)OCC(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Br)c2cccnc12 409175925 DXCDDUZJGRAVQJ-UHFFFAOYSA-N 486.278 4.050 5 40 JIBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 12754966 DKHHUEDQLGBUMO-LBPRGKRZSA-N 460.339 4.096 5 40 JIBB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14923974 PZWIGLNHIXAAGF-CYBMUJFWSA-N 456.852 4.416 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCCN12 408566018 MQFLUVULGUOSNZ-FCRYVSRXSA-N 455.514 4.320 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1cc(Cl)ccc1OC 408675063 QHPMNWWLIMZHTD-UHFFFAOYSA-N 477.930 4.275 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 9350647 WSUBWCVVSUMUMN-SHQCIBLASA-N 480.524 4.270 5 40 JIBB biogenic O=C(NCCCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1[N+](=O)[O-] 9355909 JJDRCDNRWDSRDQ-UHFFFAOYSA-N 454.486 4.360 5 40 JIBB COCCn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nc2ccccc21 9670105 YWVCBJQQHCFHMI-UHFFFAOYSA-N 469.548 4.445 5 40 JIBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)/C=C/c1ccc(Cl)c([N+](=O)[O-])c1 10119928 BHTGRWSYEMMOOC-XVNBXDOJSA-N 456.871 4.075 5 40 JIBB COc1cc(/C=C(\NC(=O)c2ccccc2)c2nc3cc([N+](=O)[O-])ccc3[nH]2)cc(OC)c1OC 16953115 CEXWZNYRQWATKW-JAIQZWGSSA-N 474.473 4.425 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12 20567589 HBGGKGURYXIKLC-MEKIYTOJSA-N 462.893 4.019 5 40 JIBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(N2CCCC2=O)c(Cl)c1 25063457 CGOPPLGZIBSGRB-UHFFFAOYSA-N 456.808 4.444 5 40 JIBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2Cl)CC1 59294434 PGIPSUHQBMFJQX-UHFFFAOYSA-N 499.999 4.405 5 40 JIBB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224705841 NEINYZSKYHIADV-MRXNPFEDSA-N 488.382 4.376 5 40 JIBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224734096 ZQWHMPXIAALUGB-FQEVSTJZSA-N 491.972 4.215 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 712831 SGXQRYKDGSLQFM-UHFFFAOYSA-N 450.451 4.164 5 40 JIBB CCCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOCC)cnc32)cc1 2404002 RMGZHNNKHQJDEF-UHFFFAOYSA-N 485.544 4.277 5 40 JIBB CC(C)(c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1 2730885 KFHZOZXUVKJQTI-UHFFFAOYSA-N 462.898 4.207 5 40 JIBB CCOC(=O)C1=CN(Cc2ccc(OC)c(OC)c2)C=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 2805681 IBFILEBRQKQNIR-UHFFFAOYSA-N 496.516 4.105 5 40 JIBB COc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 113834803 QVRBABCYRWNIDV-NHDPSOOVSA-N 490.453 4.074 5 40 JIBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223228273 OAOLBDYIWOQXRV-RUZDIDTESA-N 459.546 4.222 5 40 JIBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O 409211857 OMRBXFABYKBMKH-NNLQFVHNSA-N 460.464 4.241 5 40 JIBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc5c(c4)OCO5)cnc32)cc1 2259603 IWMFIVMMEYITKK-UHFFFAOYSA-N 491.507 4.128 5 40 JIBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 4301879 LRSCOIBMYVHRRR-UHFFFAOYSA-N 455.518 4.426 5 40 JIBB Cc1cc(C)c2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c(C(=O)N3CCOCC3)sc2n1 12587783 NYVNLJLLRKNRBL-UHFFFAOYSA-N 474.926 4.199 5 40 JIBB Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1cccc([N+](=O)[O-])c1O)c1c(C)[nH]n(-c2ccccc2)c1=O 13142043 MJOHOGSCUVWOFH-UHFFFAOYSA-N 497.511 4.055 5 40 JIBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2cccc3c([N+](=O)[O-])ccc(c23)C1=O 13577246 XTHGKWUSUHLLST-UHFFFAOYSA-N 457.402 4.259 5 40 JIBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225597458 ODMMOBZEXCRDHL-HSZRJFAPSA-N 465.937 4.177 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc([N+](=O)[O-])cc1 408663219 MHLFYRGLEPPWNF-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB O=C(Nc1cc2cc(Br)cc(Br)c2oc1=O)c1cccc([N+](=O)[O-])c1 993802 OHSRREIJBNWQRN-UHFFFAOYSA-N 468.057 4.479 5 40 JIBB COc1ccc(-c2ccc(C(=O)Nc3cccc(Cl)c3N3CCN(C(C)=O)CC3)o2)c([N+](=O)[O-])c1 8993137 OHQCDGYXOHNOCN-UHFFFAOYSA-N 498.923 4.438 5 40 JIBB O=C(/C=C/c1cccs1)N1CCN(C(=O)c2ccc(Nc3ccccc3)c([N+](=O)[O-])c2)CC1 36395014 MRYDOBZJMODHEJ-PKNBQFBNSA-N 462.531 4.398 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408677843 CCMRKDLEPZWWQQ-DJKXOVBDSA-N 453.882 4.003 5 40 JIBB COc1ccc(C(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408682536 JOEVHVOETFDUJI-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB O=C(c1ccc2nc3c4ncccc4c4cccnc4c3nc2c1)N1CCN(c2ccccn2)CC1 408974528 BAUQCCOZZYDNQN-UHFFFAOYSA-N 471.524 4.237 5 40 JIBB Cc1cccc(CSCCNC(=O)CN(c2ccccc2[N+](=O)[O-])S(=O)(=O)c2ccccc2)c1 20061254 IFYWNNMBAGRBOD-UHFFFAOYSA-N 499.614 4.148 5 40 JIBB Cc1noc(CN2CCN(c3ccc(C(=O)Nc4ccc5ccccc5c4)cc3[N+](=O)[O-])CC2)n1 32911812 OVKSLDPISOUIMF-UHFFFAOYSA-N 472.505 4.014 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1 33687854 GBYKXNJAMLIMQC-VSKRKVRLSA-N 479.876 4.308 5 40 JIBB CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 59485086 LKCLFUBALJCODJ-UHFFFAOYSA-N 494.294 4.064 5 40 JIBB Nc1c(Cl)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(O)c([N+](=O)[O-])c3)cc2)cc1Cl 69589496 KFKGZZYWVXORRL-UHFFFAOYSA-N 497.316 4.243 5 40 JIBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCCC2)cc1 224957206 ICYLGMURWXRLLL-GOSISDBHSA-N 453.539 4.012 5 40 JIBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc([N+](=O)[O-])c1O 409363562 WOEQGVXMJGBTDH-YBFXNURJSA-N 479.470 4.137 5 40 JIBB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 8952209 SVAAIRYUVRKBQU-CYBMUJFWSA-N 454.435 4.187 5 40 JIBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(OC(F)(F)F)cc1 12775052 RMNHGOHDFUYQAT-UHFFFAOYSA-N 473.410 4.035 5 40 JIBB O=C(Nc1ccccc1C(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc([N+](=O)[O-])cc1Cl 62569517 CGFUMIXSHXYQHW-UHFFFAOYSA-N 493.951 4.290 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223326209 JQJLDLXKSROAEC-GMWOSMDTSA-N 480.546 4.410 5 40 JIBB COc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408645776 IHITVRBMYFJOKL-DYESRHJHSA-N 488.496 4.438 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 409110752 GLZDJIVIWYJHLC-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409326545 CAAPBTNFDDMVOP-UNOMPAQXSA-N 460.446 4.274 5 40 JIBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](SCc1ccco1)C(Cl)(Cl)Cl 12564801 FZLWHQHVRWUETA-GFCCVEGCSA-N 457.723 4.049 5 40 JIBB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 12946454 QROPNDQWOQPCBZ-DXIQSLLYSA-N 489.406 4.267 5 40 JIBB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1ccc([N+](=O)[O-])cc1 15882243 APXHOIWPCFIOCM-UHFFFAOYSA-N 464.425 4.035 5 40 JIBB O=c1c([N+](=O)[O-])c(Sc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)nc2ccccn12 22956794 QNVGKOXLBFYCLF-UHFFFAOYSA-N 478.440 4.280 5 40 JIBB CN[C@H]1CCn2c3ccccc3c3c4c(c5c6ccccc6n(c5c32)[C@@](C)(OC)[C@H]1OC)CNC4=O 71404966 FGLVNFDSNKCFTC-OGEURKDJSA-N 482.584 4.472 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1)[C@H]1CCCN12 408565980 MLTXRJVQZNKPNM-YUHKXCSQSA-N 455.514 4.320 5 40 JIBB Cc1ccc(C)c(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 409153205 LTWRQZSVMZPKEH-FQEVSTJZSA-N 482.566 4.188 5 40 JIBB O=C(N[C@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1)c1ccccc1Cl 8685094 FKWBFMFHMPAYOM-XMMPIXPASA-N 492.963 4.458 5 40 JIBB aggregator CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(Cl)cc12 20588600 DMTRXRCFCHCDJJ-NYQDVAGCSA-N 462.893 4.019 5 40 JIBB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 21595519 IUFHHVMPTZTKQB-UHFFFAOYSA-N 493.545 4.476 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)NC1CCCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 44802961 CMOUJMWGDDGYAG-UHFFFAOYSA-N 495.985 4.209 5 40 JIBB COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1I 106745341 KAJIMGOUIUVMIJ-SXGWCWSVSA-N 496.282 4.445 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408661093 AZHQWPHOSSSWTC-UHFFFAOYSA-N 498.717 4.301 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] 409042559 NHPPQZMLCLFEDF-SIQOOTDXSA-N 482.492 4.265 5 40 JIBB COc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc([N+](=O)[O-])cc4)OC3=O)cc2OC)cc1 409194624 PUZVMKFTCLRVRD-MOSHPQCFSA-N 474.425 4.176 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1[N+](=O)[O-] 409351229 ZPUSAAQFESYPCV-YBFXNURJSA-N 455.492 4.402 5 40 JIBB Cc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409391368 YIMHXIMJTGJWSH-UHFFFAOYSA-N 467.547 4.350 5 40 JIBB O=c1[nH]c(-c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])nc2sc3c(c12)CCCC3 4113011 AWJMALCOVGFHFJ-UHFFFAOYSA-N 483.527 4.206 5 40 JIBB O=C(N[C@@H](CC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1)c1ccccc1Cl 8685095 FKWBFMFHMPAYOM-DEOSSOPVSA-N 492.963 4.458 5 40 JIBB aggregator O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 17083425 VWCWVBBTGWLLPT-DEOSSOPVSA-N 495.329 4.407 5 40 JIBB O=C(NCc1ccncc1)/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=O)c1ccccc1 27016834 MPKXEBUGWPVMIV-CJLVFECKSA-N 468.469 4.337 5 40 JIBB Cc1c(Br)ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c1C 408662532 FDUXCGFWQSGWTO-UHFFFAOYSA-N 492.326 4.265 5 40 JIBB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1cc([N+](=O)[O-])ccc1OC)c1ccccc1 3362458 OJVGGUFODNGONB-XSFVSMFZSA-N 462.458 4.335 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(NCCc3ccccc3)c2)CC1)c1cccs1 9008094 HIAQPWIDDIMGSW-UHFFFAOYSA-N 495.630 4.148 5 40 JIBB COc1ccc(CCn2c(-c3ccccc3C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 9327940 CJCUWLHSEUTTRE-UHFFFAOYSA-N 481.552 4.484 5 40 JIBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])NCc1ccc(Cl)cc1Cl 20451992 BEDYETQZEJOBQK-UHFFFAOYSA-N 494.356 4.413 5 40 JIBB CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 33380524 LXYIHCDAPCPBHC-UHFFFAOYSA-N 460.987 4.383 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)c1 409100578 UYSKHUJEQJUOOG-HYARGMPZSA-N 486.484 4.014 5 40 JIBB CC(C)N(C)C(=O)c1ccc(CNc2ccc(S(=O)(=O)N3CCC[C@@H](C)C3)cc2[N+](=O)[O-])cc1 25567527 WOJPGPNTNVECIT-GOSISDBHSA-N 488.610 4.108 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408687599 URIMOENUKKRORD-MOPGFXCFSA-N 498.879 4.055 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408688678 WNZODRXJDSUIAO-ISZNXKAUSA-N 488.327 4.490 5 40 JIBB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 8691794 FHSJOLPRYSEWQK-ZGFBMJKBSA-N 457.486 4.089 5 40 JIBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCN(c2cnccn2)CC1 32788735 PYBGROBOZVDOMY-JOCHJYFZSA-N 495.923 4.178 5 40 JIBB CC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)nc1C 36614030 PLGUJPSKHUPSOB-HIFRSBDPSA-N 467.931 4.195 5 40 JIBB CN1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229363 HFZMWOWGFTUVSL-UHFFFAOYSA-N 453.724 4.015 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(Cl)cc1 101169163 SSSKMKZYSMKORX-XAYXJRQQSA-N 478.936 4.110 5 40 JIBB O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1 10218937 ANCXRZHXBZAPOE-UHFFFAOYSA-N 455.514 4.112 5 40 JIBB CC1CCN(c2ccc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)cc2[N+](=O)[O-])CC1 12731031 ZABDMNVIIJQBMD-IAGOWNOFSA-N 473.599 4.149 5 40 JIBB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13075694 IQEUXVUXVPCISO-RGMRCXJASA-N 462.388 4.367 5 40 JIBB CCOP(=O)(OCC)c1nc(-c2ccc([N+](=O)[O-])cc2)oc1NCc1ccc2c(c1)OCO2 16752199 XMDGTVSJAABZGX-UHFFFAOYSA-N 475.394 4.482 5 40 JIBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)cc(Cl)c2)cc1 32640720 JDVQDGFBIYJXBI-SJORKVTESA-N 472.375 4.177 5 40 JIBB O=C1[C@H]2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1Cc1ccccc1 102765125 PXLWIKFINSBTIF-BHDDXSALSA-N 463.877 4.295 5 40 JIBB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc([N+](=O)[O-])cc2)C1=O 215257221 NAFAAHUDCKPBKL-LZYBPNLTSA-N 493.291 4.057 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(Br)cc1 409160445 YNRCULUNGXYGJE-OQLLNIDSSA-N 462.281 4.032 5 40 JIBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3Cl)OC2=O)cc(Cl)c1OC(C)=O 2284845 RUWLGDDTPXPNMF-UUASQNMZSA-N 451.218 4.180 5 40 JIBB Cn1ncc2c(S[C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)ncnc21 11677221 SZPYCVQMILSAPC-QGZVFWFLSA-N 454.899 4.397 5 40 JIBB COC(=O)[C@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 12795740 QUAYSFYSVJWGHP-QFIPXVFZSA-N 483.908 4.180 5 40 JIBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])C1 15910546 PUAQUOYMLDSAKT-GJZGRUSLSA-N 477.464 4.474 5 40 JIBB CCCCCn1/c(=N\C(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101093001 OTFOUWCSEUOWAF-CDLKRXKISA-N 484.556 4.157 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683568 LPTGORBAPDQXLK-WOJBJXKFSA-N 453.882 4.147 5 40 JIBB COc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(OC)cc3OC)cc([N+](=O)[O-])c2)c(OC)c1 851625 AKHSJMMJALKRRW-UHFFFAOYSA-N 481.461 4.134 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1F 1845375 GGOZMXAYBIGQCY-ZEQKJWHPSA-N 484.487 4.100 5 40 JIBB biogenic O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl 6089001 RDEIPQZZZDLWLO-UHFFFAOYSA-N 476.854 4.210 5 40 JIBB CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1C 9030708 QDEZZOHUTMLEEE-UHFFFAOYSA-N 474.491 4.266 5 40 JIBB Cc1cc(C)cc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)c1 14413190 HAFPPBXKIWXEEX-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CCCCOC(=O)c1ccc(N2C(=O)c3ccc([N+](=O)[O-])c4c([N+](=O)[O-])ccc(c34)C2=O)cc1 95471067 ROBGGUDADVREPJ-UHFFFAOYSA-N 463.402 4.414 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 100920820 KCPCMULNQZKOGI-SMIHKQSGSA-N 473.485 4.435 5 40 JIBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NCC(C)C)c1 224145572 NWGANNIBENRREB-LJQANCHMSA-N 457.596 4.326 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1C 409143253 MEMVTPAZKXROIS-NRFANRHFSA-N 496.593 4.198 5 40 JIBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)CC1 409354209 AFUJWOSQXFITRJ-HMAPJEAMSA-N 495.557 4.469 5 40 JIBB COc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)n2)cc1 8833186 NQBUMAWHWNGPNS-UHFFFAOYSA-N 483.575 4.454 5 40 JIBB Cc1c(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cccc1[N+](=O)[O-] 12536306 KDMKAKRMNKCRIM-UHFFFAOYSA-N 483.502 4.118 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c(Cl)c1 14269094 MFOBTANEZNRJDX-UHFFFAOYSA-N 453.351 4.047 5 40 JIBB COc1cc(C(=O)Nc2cnc(C)n2-c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC 41124364 SGRGOEDHVWEQCZ-UHFFFAOYSA-N 465.491 4.482 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408737335 NQHMCHMAOKMWBX-QFIPXVFZSA-N 478.461 4.288 5 40 JIBB COc1ccc(CCCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)cc1C 409360784 OMZALOKKJLNSQM-UHFFFAOYSA-N 469.567 4.255 5 40 JIBB COc1ccc(Cn2c(C)nc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccco2)cc1 2309836 TWJQDPHAROWGOP-UHFFFAOYSA-N 451.486 4.301 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 33888006 OVSIARYNMALIOU-NEWJYFPISA-N 483.455 4.132 5 40 JIBB Cn1ccnc1Sc1ccc([C@H](Nc2ccccn2)n2nnc3ccccc32)cc1[N+](=O)[O-] 59488705 KXYUEFQZVFYHLT-OAQYLSRUSA-N 458.507 4.278 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 205784258 FMTPLYSJROMIFG-GIJQJNRQSA-N 487.446 4.283 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1C 408554543 BUGXQFDWKFKQMM-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408677987 CKVDSPFUSQUQMX-OALUTQOASA-N 453.882 4.147 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1[N+](=O)[O-] 1860012 YVOYHLSHJRYUNK-UHFFFAOYSA-N 476.518 4.081 5 40 JIBB O=C(c1ccccc1F)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9008846 WDJGZXDFIZPGJV-UHFFFAOYSA-N 460.509 4.259 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1CCC 9266271 GTBMSCKDIOWVRK-OFVILXPXSA-N 464.522 4.196 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2)cc1 14411852 HGKMBIWHEFDWQK-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB C[C@]1(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2C=C[C@H]1C2 108575381 BPADELUTEODQTG-ZYXJOJAPSA-N 459.462 4.438 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 223549252 KIRZYTLLDYVIMH-DHIUTWEWSA-N 456.531 4.348 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1cccc(F)c1)[C@@H]1CCCN12 408564392 CMHJFVUJDZVODL-UQBYDPJISA-N 473.504 4.459 5 40 JIBB CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(Br)cc2)c([N+](=O)[O-])c1 9019059 DQMKUTVBPVMUPA-BJMVGYQFSA-N 450.314 4.282 5 40 JIBB CCn1c2ccccc2c2cc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)ccc21 10315341 NGARFEKXEIOZSU-UHFFFAOYSA-N 480.546 4.436 5 40 JIBB Cc1nnc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccc(F)cc2)s1 44087143 XAULORURASSKAH-UHFFFAOYSA-N 470.511 4.477 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(Cl)c(Br)cc2C)CC1=O 408643017 QNBGLACHXFMEDX-LLVKDONJSA-N 482.718 4.319 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 409363063 UHLZJYPFSPAULB-CYBMUJFWSA-N 488.957 4.081 5 40 JIBB O=C(CSc1nnc(-c2ccncc2)n1CCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 915243 PZXTZHMGBQTRIJ-UHFFFAOYSA-N 460.519 4.222 5 40 JIBB COc1cc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])ccc1O 9312621 DMYBEYYSUCWYDA-OXCBMLQPSA-N 487.468 4.205 5 40 JIBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)N2CCN(c3ccccc3)CC2)n1 9465726 OCRJCNPBBVYJGG-UHFFFAOYSA-N 498.586 4.017 5 40 JIBB CC[C@H](C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 9846270 MGNKOUBWDBPAND-HNNXBMFYSA-N 476.986 4.262 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(OCC(=O)N(C2CCCCC2)C2CCCCC2)c([N+](=O)[O-])c1 13134485 HNIOMFFSEQITIQ-UHFFFAOYSA-N 495.642 4.498 5 40 JIBB CCCCOC(=O)c1ccc(NC(=O)c2ccc(Sc3nncn3C)c([N+](=O)[O-])c2)cc1 13149782 XZHNPRSMVKTLEJ-UHFFFAOYSA-N 455.496 4.084 5 40 JIBB CC(C)c1ccc(-c2nn3c([C@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1 101026588 SYOBCLVMHFSHPJ-HXHBTQRASA-N 452.514 4.418 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224397163 WATRDIMDBFOOOU-SFHVURJKSA-N 452.338 4.388 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)CSc1cc(C)c(Br)cc1C 3237313 PPDLIYWZCYWABJ-UHFFFAOYSA-N 483.340 4.257 5 40 JIBB CN(Cc1ccccc1)C(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20923614 FPHTYQXIFFJKPJ-UHFFFAOYSA-N 473.938 4.102 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1NCc1ccccc1 102095892 WRBBNBKNNQGFFF-UHFFFAOYSA-N 467.394 4.284 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O)N1CCCCC1 205795627 SDLDYZNBAOBSDM-KGENOOAVSA-N 481.530 4.223 5 40 JIBB Cc1c(N(Cc2ccc(C(=O)NCC3CCCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224864233 MZUDRXVXYGYPCU-UHFFFAOYSA-N 459.568 4.180 5 40 JIBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 248113839 OWGVCJCUKNFNLY-ZYQDXHPFSA-N 479.492 4.302 5 40 JIBB CCC1(CC)C[C@H](NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 260759775 DTQIKUDXYCPBSH-PXNSSMCTSA-N 489.594 4.257 5 40 JIBB O=C1CCCC(=O)C1([C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12)[C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 2198889 GRJHRPQCVUASFH-SFTDATJTSA-N 488.500 4.379 5 40 JIBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc([N+](=O)[O-])cc1 8832485 RGJFAZRRBMYCSP-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB CCOc1cc(C(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1OC 24398254 HWYZFPGWFLJNBT-HNNXBMFYSA-N 470.551 4.131 5 40 JIBB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62347527 FKVOZPUCWYIQCE-INIZCTEOSA-N 483.956 4.263 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224432397 KXCMESIXEANUKK-SFHVURJKSA-N 498.363 4.233 5 40 JIBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224576823 BIGIYZMDBADKDU-SANMLTNESA-N 489.572 4.312 5 40 JIBB O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc(-c3ccccc3Br)nn12 1886173 VNHVTIYSZJDWQV-WQRHYEAKSA-N 495.314 4.296 5 40 JIBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1 2253055 WNINNPZLNQNTOG-FQEVSTJZSA-N 469.545 4.033 5 40 JIBB COc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2Br)c(Br)c(OC)c1OC 4290075 UMNLVZQKHFAVFT-UHFFFAOYSA-N 490.104 4.398 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1[N+](=O)[O-] 14270582 RDNGQYGTXXBIEN-UHFFFAOYSA-N 463.475 4.242 5 40 JIBB COc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 16095960 NAWFALNUQJQAOZ-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB Cc1cc(=O)c(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)nn1-c1ccccc1[N+](=O)[O-] 68728280 RDVVBCYVCGWNAJ-UHFFFAOYSA-N 498.474 4.308 5 40 JIBB N=C(Nc1ncccc1[N+](=O)[O-])N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 225246096 ACOSDTFDFMUYCP-UHFFFAOYSA-N 452.465 4.022 5 40 JIBB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)c1 9392203 QUTMMLOTNPFURZ-LJQANCHMSA-N 470.532 4.019 5 40 JIBB Nc1nc(CN2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)nc2ccccc12 14323176 YUIPGKDDZYOWSO-UHFFFAOYSA-N 466.851 4.115 5 40 JIBB COc1cccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C(C)C)c1OCC(=O)O 95473526 JHESBSWIQMQROQ-UHFFFAOYSA-N 463.446 4.462 5 40 JIBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OC 408570290 KTWKHRZVTROHKT-KRWDZBQOSA-N 479.356 4.466 5 40 JIBB Cc1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)N1CCCCCC1 8862383 BPOGXTPWWBMMJA-UHFFFAOYSA-N 451.932 4.374 5 40 JIBB O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12)Nc1cccc([N+](=O)[O-])c1 12390209 VKQMMFBALCDMDO-UHFFFAOYSA-N 495.952 4.259 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 12791611 PHMYXEFARGRISZ-AREMUKBSSA-N 461.518 4.223 5 40 JIBB Cc1c(NC(=O)COc2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 22233768 AVJSZKBQVGHMHE-UHFFFAOYSA-N 487.509 4.026 5 40 JIBB COc1cccc(/C=c2\sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 59678111 IASRDLGKMQWDTD-LMSRTUJASA-N 495.560 4.236 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100625340 MUBGMWLUYWCMQE-NJYVYQBISA-N 467.840 4.438 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccccc1Cl 101084515 SHSCVODIJQFIFL-FAJYDZGRSA-N 492.963 4.185 5 40 JIBB Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)n1C 409127258 PHPGMNFYLJXWCI-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB CCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2258429 YCUIELXTTWAERP-UHFFFAOYSA-N 455.518 4.434 5 40 JIBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3C)scc12 9381335 WBSJGZUPAUVGNX-UHFFFAOYSA-N 478.486 4.093 5 40 JIBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@@]2(O)C(F)(F)F)cc1 12946446 QROPNDQWOQPCBZ-KNKQGSTJSA-N 489.406 4.267 5 40 JIBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 19856088 ZOYZINOMYUQBQC-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB Cc1cc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)ccc1[N+](=O)[O-] 32116391 AXGMHOXEKPIEHD-UHFFFAOYSA-N 489.145 4.261 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224778609 AGBSEJPFDQNXSS-MRXNPFEDSA-N 463.987 4.425 5 40 JIBB COc1cc(C(=O)OCC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)c([N+](=O)[O-])cc1OC 9509864 ZMGOQHUNINLTGY-FQEVSTJZSA-N 493.472 4.048 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128776 PRXSUTRTOMKKNH-OAQYLSRUSA-N 473.938 4.085 5 40 JIBB CCOc1ccc([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19933805 SWUQLPOVCAKVCC-GOSISDBHSA-N 483.546 4.066 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1OC 408566831 PFUNXNZGXOCFDP-UHFFFAOYSA-N 463.490 4.145 5 40 JIBB COc1ccc(CCn2c(-c3ccc(OC)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2324510 XVXBAFBTLFPPCR-UHFFFAOYSA-N 467.525 4.175 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@@H](c2ccncc2)c2c([nH]c(SCc3ccc([N+](=O)[O-])cc3)nc2=O)N1 9393888 XATPYTDNALGDPO-LJQANCHMSA-N 493.545 4.148 5 40 JIBB CC[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 22429823 ZXZQGGFBCVRGEV-JOCHJYFZSA-N 453.520 4.058 5 40 JIBB Cc1noc(C)c1COc1cccc(C(=O)OCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)c1 32936323 FBYNPVIODGEVTJ-UHFFFAOYSA-N 450.407 4.186 5 40 JIBB Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409133818 QLYXENZEEZLTDL-NRFANRHFSA-N 496.593 4.198 5 40 JIBB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409371632 IVMHZWSANYVZOG-YCIYHOANSA-N 460.873 4.134 5 40 JIBB Cc1cc(C(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)n1C[C@@H]1COc2ccccc2O1 2635245 FXADHXAIOOVXGK-RQWLHQTBSA-N 476.485 4.292 5 40 JIBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccc(I)cc1 3075086 VLANJXAMJQWBTJ-UHFFFAOYSA-N 489.181 4.061 5 40 JIBB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3247158 AYCNGLCILQVRBS-INIZCTEOSA-N 452.488 4.092 5 40 JIBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8833033 DHACYJWHCKOXTB-UHFFFAOYSA-N 488.875 4.230 5 40 JIBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 9191862 QNUCWMHBRDXWCB-KRWDZBQOSA-N 469.519 4.418 5 40 JIBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@H]4[C@@H]3C2=O)cc1 9348602 OWGVCJCUKNFNLY-NGSHPTGOSA-N 479.492 4.302 5 40 JIBB O=C(COC(=O)CNC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1Sc1ccccc1 21086652 NGSILHJCJXZODS-UHFFFAOYSA-N 499.932 4.311 5 40 JIBB O=[N+]([O-])c1ccccc1N1CCN(C[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 25462842 WKAVNKFNXRMXEI-QHCPKHFHSA-N 483.515 4.162 5 40 JIBB Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 32107103 ZLCGHAAOIJEYPA-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB CCCCCn1c(=N)c(C(=O)NCc2ccccc2Cl)cc2c(=O)n3cccc(C)c3nc21 101248855 UPQHMKYIZMVTDT-UHFFFAOYSA-N 463.969 4.211 5 40 JIBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)cc21 408527735 FLRBUPGMAGYHJZ-IDUWFGFVSA-N 493.328 4.329 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408572054 QMYPCZKGSNZDGJ-MAYPLETRSA-N 491.519 4.372 5 40 JIBB CC(=O)Oc1ccc(C(=O)COC(=O)c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)cc1 409182458 LFAAIPUKFUJZJR-UHFFFAOYSA-N 480.385 4.260 5 40 JIBB CCn1nccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c1 2809126 DOGXXZMMVGLZRL-UHFFFAOYSA-N 493.911 4.214 5 40 JIBB CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 3643186 BKILPOAHRFAGAU-SFHVURJKSA-N 461.455 4.419 5 40 JIBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 6474763 ZNFDDCONAJWTPR-UHFFFAOYSA-N 476.474 4.482 5 40 JIBB CC(=O)N1CCc2cc(S(=O)(=O)Nc3ccc4sc5ccccc5c(=O)c4c3)ccc21 8815928 SIHXVCVCUUGYIS-UHFFFAOYSA-N 450.541 4.125 5 40 JIBB O=C(CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 9509887 FSMPRBUSSZWUCO-OAQYLSRUSA-N 489.513 4.419 5 40 JIBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc4ccccc4c3)CC2)cc1[N+](=O)[O-] 12589942 AMIKMWVHGVNWIS-QGZVFWFLSA-N 496.589 4.068 5 40 JIBB O=c1c(Nc2ccc([N+](=O)[O-])cc2)nnc(SCc2ccccc2Cl)n1-n1cccc1 28536207 DVCGKLSLBYWMGE-UHFFFAOYSA-N 454.899 4.349 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1c3ccccc3C=C[C@H]21 9271841 NZIIGMMMXFUKHO-VPBXCIAMSA-N 479.492 4.176 5 40 JIBB CC(C)=C[C@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)C1(C)C 12446072 RUGWGHHBGJIRFD-NZQKXSOJSA-N 451.571 4.284 5 40 JIBB COc1ccccc1OCc1nnc(SCC(=O)c2cc([N+](=O)[O-])ccc2Br)o1 19927416 VODOZXUMLXTALR-UHFFFAOYSA-N 480.296 4.303 5 40 JIBB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153228 DRHCMDCZYCZXOV-UHFFFAOYSA-N 480.546 4.464 5 40 JIBB CC[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccccc1 22429826 ZXZQGGFBCVRGEV-QFIPXVFZSA-N 453.520 4.058 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 224197317 CYMJEXPZEBQYQZ-UHFFFAOYSA-N 483.546 4.439 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225233854 XMLARJXUNLAEPM-MRXNPFEDSA-N 476.371 4.233 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408649930 LUSQKYHYBWAENE-RPQNVMPDSA-N 497.935 4.298 5 40 JIBB Cc1cc(I)cc(C)c1NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1Cl 409204187 CXRFKUAJFBNXJV-UHFFFAOYSA-N 488.665 4.265 5 40 JIBB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3[N+](=O)[O-])cc2c1 914432 OSZQBPAYNJXAOG-UHFFFAOYSA-N 467.503 4.037 5 40 JIBB CNS(=O)(=O)c1ccc(NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)c([N+](=O)[O-])c1 9592855 VQCGLKPMLWJZGW-UHFFFAOYSA-N 481.509 4.107 5 40 JIBB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1 19929202 QJTWWWUDTYSIMB-UHFFFAOYSA-N 454.295 4.426 5 40 JIBB O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 35123590 RCUUEDFRTDNQAN-UHFFFAOYSA-N 471.966 4.344 5 40 JIBB CC1=C[C@@H](CN2CCN(C)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 35442692 HILQRGVCHRZHLZ-FUDKSRODSA-N 453.587 4.289 5 40 JIBB biogenic,in-vitro CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 102708059 ABHSKXFQMILWRZ-KMDXXIMOSA-N 473.485 4.435 5 40 JIBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224739270 YBEIYYAGDVQPEX-RUZDIDTESA-N 459.546 4.302 5 40 JIBB COc1ccccc1N[C@@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3158664 KOBURHSWQXNAIX-HNNXBMFYSA-N 463.661 4.050 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 3228715 RTMBGTDMDJGPGB-UHFFFAOYSA-N 476.514 4.342 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccccc1Cl 4125342 DCVJANSEVFPAOL-UHFFFAOYSA-N 488.013 4.075 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1 9403480 UUUMFCDGCWFAMF-UHFFFAOYSA-N 489.937 4.481 5 40 JIBB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1 9971850 LASUHQSJNVGQSN-UHFFFAOYSA-N 475.549 4.352 5 40 JIBB Cc1cccc([N+](=O)[O-])c1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 13130622 QNJVOFQSASRDMI-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 14080385 VGHPZRWYTFFGLT-UHFFFAOYSA-N 458.877 4.324 5 40 JIBB Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc2cc1Cl 16284260 TZKXMLIAWIDCGZ-UHFFFAOYSA-N 451.873 4.201 5 40 JIBB CC(C)N(C)C(=O)c1ccc(CNc2ccc(S(=O)(=O)N3CCC[C@H](C)C3)cc2[N+](=O)[O-])cc1 25567528 WOJPGPNTNVECIT-SFHVURJKSA-N 488.610 4.108 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 32933366 RBHJDNGUBHQBRL-MRXNPFEDSA-N 486.834 4.121 5 40 JIBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 62625850 VFGZCIUZWFVZIP-IBGZPJMESA-N 477.477 4.087 5 40 JIBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O 408658420 VALXACAPERJICL-JSNMRZPZSA-N 483.908 4.052 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408684735 NWKFCBLCRAALPO-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(C)c2)cc1 409265209 SXNWPLUTOIQEGT-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB O=[N+]([O-])c1ccc(Oc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1C(F)(F)F 2625695 SMKRLEFWHWLLMR-UHFFFAOYSA-N 466.821 4.080 5 40 JIBB CCCCNC(=O)CC[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 2967011 ACPMHOUVYHDKTL-HXUWFJFHSA-N 479.562 4.183 5 40 JIBB COc1cccc(-n2c(=O)c3ccccc3n3c(SCc4ccc([N+](=O)[O-])cc4)nnc23)c1 3305280 OSHZFFXSZWDJCE-UHFFFAOYSA-N 459.487 4.243 5 40 JIBB COc1ccc(C(=O)N/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C(=O)NCc2ccncc2)cc1 8657416 WUHRPYMAGDERFY-XQNSMLJCSA-N 498.495 4.346 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 10316625 HUJKNAXLGZIBBM-UHFFFAOYSA-N 464.478 4.472 5 40 JIBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)CCN1C(=O)c2ccccc2C1=O 12595725 DLHKPZAIEITQEU-UHFFFAOYSA-N 493.497 4.125 5 40 JIBB COc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c([N+](=O)[O-])c(OC)c1OC 12998572 KEAPBICLLOXJLF-UHFFFAOYSA-N 457.508 4.250 5 40 JIBB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2c2cccs2)cc1 21469389 UITBVEQRXQAWHA-UZUQRXQVSA-N 479.514 4.241 5 40 JIBB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OCC)c([N+](=O)[O-])c3)cc2s1 22745428 RBVHRAUFLQSJEN-UHFFFAOYSA-N 487.563 4.469 5 40 JIBB O=C(CN(Cc1ccco1)C(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1 24991036 ADZORNMBVLXRHA-UHFFFAOYSA-N 465.509 4.415 5 40 JIBB O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 39768461 SACMDNSIQBHDRT-UHFFFAOYSA-N 481.515 4.166 5 40 JIBB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223096470 DEAXZJMQEFGWFY-SFHVURJKSA-N 457.596 4.203 5 40 JIBB CCOC(=O)/C=C/c1ccc(OCc2ccc([N+](=O)[O-])cc2)c(I)c1 226334790 MTDWQGWPMBIMGM-UXBLZVDNSA-N 453.232 4.355 5 40 JIBB O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccccc1 2968108 JDLNOCOEJKKZTK-JOCHJYFZSA-N 499.552 4.193 5 40 JIBB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COc2ccc(C)nc2[N+](=O)[O-])cc1OC 9119882 BDHSXUXRBRHXIJ-QGZVFWFLSA-N 482.518 4.134 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Oc1ccc(F)cc1Br 9478520 DKIOETGCTULWSD-UHFFFAOYSA-N 459.293 4.463 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 16038699 FHSJOLPRYSEWQK-VPBXCIAMSA-N 457.486 4.089 5 40 JIBB Cc1cc(C(=O)[C@H](C)OC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1Cc1ccco1 26570950 DCUPRMHJRAOJNW-MOEXGYKKSA-N 466.446 4.211 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)NC(=S)N1 27061699 OOUQRLJBAVZTMK-JOCHJYFZSA-N 477.546 4.192 5 40 JIBB O=C(OCc1ccc([N+](=O)[O-])cc1)C(=Cc1ccc(O)cc1)C(=O)OCc1ccc([N+](=O)[O-])cc1 35586074 PRUZVWBDYPTIOK-UHFFFAOYSA-N 478.413 4.079 5 40 JIBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 225116857 LAYMOOGDJNUOJG-SANMLTNESA-N 489.572 4.311 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1F 408552501 QEJZVFAYNWYBCN-UHFFFAOYSA-N 459.455 4.104 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408567254 QRBXGMYTXFTQIJ-FBQMUFCQSA-N 473.529 4.186 5 40 JIBB C[C@H](C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9646908 IFFHXMIAAFLVAU-CYBMUJFWSA-N 472.350 4.108 5 40 JIBB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278492 WKKYOGGFNVRJRN-UHFFFAOYSA-N 492.923 4.379 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 139047568 NEXIIISTAINVDD-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5cccc([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1 167527228 FNJODAQYBAIVOZ-SJJVXOANSA-N 495.560 4.236 5 40 JIBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408564862 GCXUDFRNJHDVJD-YQIFXUADSA-N 493.947 4.450 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408687426 UJBBIJUVGCEUSI-CALCHBBNSA-N 474.300 4.410 5 40 JIBB O=[N+]([O-])c1cnn(Cc2cccc(-c3nnc(Nc4ccn(Cc5ccccc5)n4)s3)c2)c1 2732355 FUWICUIEQZQQOG-UHFFFAOYSA-N 458.507 4.347 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 4122621 NISQQANTIUDYGQ-UHFFFAOYSA-N 499.571 4.410 5 40 JIBB CCc1cc(I)ccc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 8831345 PCPGUGONVSYGBW-UHFFFAOYSA-N 469.304 4.197 5 40 JIBB CC[C@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1cc(C)c(C)cc1[N+](=O)[O-] 12653945 SCNQRMCGFHALLS-ZSEKCTLFSA-N 475.929 4.191 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 13787379 ZNSABAHOLSKQRR-VABKMULXSA-N 459.458 4.045 5 40 JIBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 15597295 CRKFFLLWELQAFE-FQEVSTJZSA-N 451.523 4.336 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)[C@H](CC)c1ccccc1 18085154 ITSLDBAKRGZWAU-TZELUYNPSA-N 486.572 4.103 5 40 JIBB CC(C)c1cc(I)ccc1NC(=O)COC(=O)c1ccc([N+](=O)[O-])cc1 409205807 KFBYAKIFBKQJJX-UHFFFAOYSA-N 468.247 4.118 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2)cc1 409267753 WDSBIUNVKPSETM-UHFFFAOYSA-N 483.546 4.444 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C1=O)c1ccc(Cl)cc1 409353347 JJEMBYYHITVNDZ-NDENLUEZSA-N 487.921 4.004 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 409367747 KJZCQJOFNOGDOG-ISQHLFTMSA-N 464.399 4.490 5 40 JIBB CCCCn1nnnc1CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9253984 LNBDMLBGVWISEF-UHFFFAOYSA-N 485.353 4.084 5 40 JIBB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 20004736 UOJOLEIZSRCWHX-QFIPXVFZSA-N 467.547 4.048 5 40 JIBB CCCOc1cccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c1 35144910 QSEAKWQPJIQTPN-UHFFFAOYSA-N 452.555 4.336 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225551019 VIBGFPREANRVLY-GHTZIAJQSA-N 471.554 4.013 5 40 JIBB Cc1nn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731143 XXZMPUZEORSMGB-UHFFFAOYSA-N 479.353 4.489 5 40 JIBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](OCc1ccccc1Cl)C(Cl)(Cl)Cl 6444646 HALCYTNCMFUQOU-AWEZNQCLSA-N 486.139 4.392 5 40 JIBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 19942830 XDKPEFLKZVYVNP-UHFFFAOYSA-N 471.966 4.344 5 40 JIBB C[C@]1(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)C[C@H]2C=C[C@H]1C2 108580626 IBSIWRIDXBAKHX-NPALWHDTSA-N 459.462 4.438 5 40 JIBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5cccc([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1 197696117 BWAUUWSMPDXDTR-GVMLUORFSA-N 495.560 4.236 5 40 JIBB O=c1sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccccc1Cl 225799862 PBISDDBAPAOEQJ-UHFFFAOYSA-N 475.935 4.474 5 40 JIBB O=C(N[C@H](OC[C@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 2140430 JKQCVFYUZYSNEZ-QGPMSJSTSA-N 464.777 4.302 5 40 JIBB biogenic Cn1cnnc1Sc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1[N+](=O)[O-] 3611595 ARBHXRKSNKPJQU-UHFFFAOYSA-N 452.265 4.028 5 40 JIBB Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 12857603 RQZYWGJKBAEAEH-OAHLLOKOSA-N 456.886 4.456 5 40 JIBB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(-n2cccn2)nc1 12935681 UFTZKNBRFWZCAJ-OAQYLSRUSA-N 477.864 4.366 5 40 JIBB CC(C)NS(=O)(=O)c1ccc(N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c([N+](=O)[O-])c1 40135281 BKTLUHLZELWIQL-UHFFFAOYSA-N 478.958 4.460 5 40 JIBB CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)n2)cc1 408675256 UGGJZUYDAADLEJ-UHFFFAOYSA-N 476.312 4.076 5 40 JIBB Cc1ccc(F)cc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409156169 SRAZCZIAWDODBC-IBGZPJMESA-N 486.529 4.018 5 40 JIBB CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 9185651 CVXWMHDLWIHNJH-POGFHVCPSA-N 482.533 4.250 5 40 JIBB COc1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c([N+](=O)[O-])cc1OC 9426478 UZZNGBWQFDSKMF-UHFFFAOYSA-N 497.529 4.006 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCC([C@H](O)c2ccccc2)CC1 12558237 NDMKQDCZDNOEEC-XMMPIXPASA-N 473.595 4.110 5 40 JIBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC(=O)Nc2ccccc2-c2ccccc2)C1=O 40024990 MZXLWFCXBXGCKL-VWLOTQADSA-N 458.474 4.058 5 40 JIBB Cc1nnc(NC(=O)CSc2ncc(-c3cccc([N+](=O)[O-])c3)n2-c2ccccc2)s1 44086079 MLIYCSBHQWUXGO-UHFFFAOYSA-N 452.521 4.338 5 40 JIBB Cn1cnnc1Sc1ccc(Br)cc1NC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 58181413 UBYMBEWFLYAZDQ-RUDMXATFSA-N 460.313 4.289 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCC(C)C)cc3c3ccnc2c31 8792443 PYXHFCZNTQYXHZ-OAHLLOKOSA-N 473.529 4.149 5 40 JIBB biogenic C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9403187 LBYCEOITBDNALI-KUHUBIRLSA-N 458.898 4.331 5 40 JIBB O=C(CN1CCN(c2nc3ccc([N+](=O)[O-])cc3s2)CC1)Nc1ccc2c3c(cccc13)CC2 13595682 GSAIEISSJDZGRU-UHFFFAOYSA-N 473.558 4.217 5 40 JIBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142713 HNHLGCLZXBGECP-UHFFFAOYSA-N 457.870 4.089 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20479965 ZAJZEBMSWRSZNK-QYOOZWMWSA-N 493.519 4.031 5 40 JIBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCOc1ccc(C(C)(C)C)cc1 33432657 FVNHEGQDAUHZGL-VZUCSPMQSA-N 481.505 4.318 5 40 JIBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 40033056 UFQWVJHHJDITAR-GTWFGUSFSA-N 495.560 4.236 5 40 JIBB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])c(OC)c1 408552787 NUZPOADRZKWFLW-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408575103 WAGLUYUTAJFUCC-KMBZULAFSA-N 493.947 4.496 5 40 JIBB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 6600501 SPOZHQZZWUBHMJ-UHFFFAOYSA-N 459.480 4.282 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)[C@@H]1CCC 9187834 APQABWGNSBLSMG-NVQXNPDNSA-N 494.548 4.204 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(Cl)c2)cc1 14411417 OGMUZQRLHHQLPX-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 27026774 UCYFVYTTXXVSPO-HXUWFJFHSA-N 464.865 4.245 5 40 JIBB COc1ccc(CCn2c(-c3ccc(C)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2232601 MDZGRHJLNSYMQC-UHFFFAOYSA-N 451.526 4.475 5 40 JIBB Cc1nc2c(ccc3nc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)sc32)s1 9404288 WTUZSSVREXKNMO-UHFFFAOYSA-N 455.521 4.212 5 40 JIBB C[C@H](c1nnc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1Cc1ccccc1)N(C)C 9662366 KKMSJEGECLRUGE-CQSZACIVSA-N 474.974 4.241 5 40 JIBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224674094 GSUUHOXRIPBKEO-KRWDZBQOSA-N 473.570 4.443 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224941148 MIRFFFHEFBELDH-CQSZACIVSA-N 498.363 4.233 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409267896 PSUHTBBKCLFTPN-KRWDZBQOSA-N 469.519 4.489 5 40 JIBB C[C@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9284538 LKXVJJRHQJAAFR-LBPRGKRZSA-N 473.584 4.191 5 40 JIBB O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)Nc1ccc([N+](=O)[O-])cc1 13425228 YSYDVKHSVWSKLT-UHFFFAOYSA-N 461.503 4.338 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3cc4ccccc4o3)CC2)cc1)c1ccc([N+](=O)[O-])o1 21576191 JNWYOTLCUCZZHF-UHFFFAOYSA-N 460.446 4.149 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 58164494 HBFCWCPWFPIVTR-JTSKRJEESA-N 453.882 4.358 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc2ccccc12 100820839 TXELXASYKPXHPL-JVCXMKTPSA-N 480.524 4.301 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1c(F)cccc1Cl 101176672 ODVQCWOHTDYCDR-IADYIPOJSA-N 496.926 4.016 5 40 JIBB COC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2[C@H]1c1ccc(F)cc1 102754043 HDTXPOLJEVZGDA-SFHVURJKSA-N 482.493 4.114 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225636334 MYGYLGNVEITQRX-OXJNMPFZSA-N 491.972 4.358 5 40 JIBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408655645 HXDMOMJQZAMICM-SFHVURJKSA-N 489.484 4.230 5 40 JIBB Cc1ccc(CN(c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)S(C)(=O)=O)cc1 409314403 GBFOZRVDNSFTQS-UHFFFAOYSA-N 453.520 4.430 5 40 JIBB CCCOc1c(I)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 409369512 PKRVZPJFNMKAJM-UHFFFAOYSA-N 499.257 4.037 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)ccc1OC 2406515 DXLZJSUZNYIUTG-UHFFFAOYSA-N 473.533 4.036 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 12889248 NAOKPTLYKPTQDO-DEOSSOPVSA-N 467.547 4.284 5 40 JIBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC[C@H]1CN(Cc2ccccc2)CCO1 13134911 ZLOGJTMLCHLBCV-NRFANRHFSA-N 497.624 4.145 5 40 JIBB CCOc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13503893 SVAIRWKVGVCZRV-DEOSSOPVSA-N 477.569 4.007 5 40 JIBB O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1ccccc1[N+](=O)[O-] 14275973 QBZXFABSURDZTE-UHFFFAOYSA-N 495.220 4.345 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 15945349 OVKIGWJWZJTXOL-ZRDDSIGQSA-N 475.844 4.033 5 40 JIBB CCCCOC(=O)c1ccc2nc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)sc2c1 20411488 XQMQZFYCYHDYSF-UHFFFAOYSA-N 484.534 4.250 5 40 JIBB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12 20675946 XWFLNBXDDOZEQB-NHCUHLMSSA-N 450.495 4.250 5 40 JIBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224054585 INGMKEYALOFWGL-INIZCTEOSA-N 461.559 4.299 5 40 JIBB CC[C@H](OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 409171948 FGWBVQFVSKTXIT-FQEVSTJZSA-N 453.472 4.246 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)N3CCC(C)CC3)C2=O)o1 409365267 XTMZZDQJWUGOGS-UDWIEESQSA-N 485.518 4.158 5 40 JIBB COc1cc(CN(c2ccccc2C(=O)O)S(=O)(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-] 1713716 BLQRPGCZNBRATA-UHFFFAOYSA-N 456.476 4.006 5 40 JIBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(I)cc1 3075088 PALDCOXCCLIFHG-UHFFFAOYSA-N 489.181 4.061 5 40 JIBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1Cl 8983495 WMNZJPAYCURHJZ-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@@H]3CCCO3)c2)CC1 13633044 KYOBZUKKRTXMRQ-KRWDZBQOSA-N 479.364 4.455 5 40 JIBB CCc1c(C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCCCC3)c2)cnn1-c1ccc([N+](=O)[O-])cc1 32658347 LXMHPXWJOVBXRX-UHFFFAOYSA-N 497.577 4.078 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 101165433 NMSXMQASPHSVCT-VXNXHJTFSA-N 473.485 4.435 5 40 JIBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 166173233 YMBBEPIFRBPHGQ-YJADQXIJSA-N 471.563 4.288 5 40 JIBB CC[C@H](C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223416317 CHSIFAJCIWPABX-NHCUHLMSSA-N 489.594 4.338 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408918898 QHVSHVYIIDINKG-ZKKFKWFVSA-N 460.873 4.351 5 40 JIBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409173763 RMWBDHJSSTTZSM-UHFFFAOYSA-N 495.966 4.467 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Br)cc3)c2ncn1C[C@@H]1CCCO1 2249507 CKEHQZPYMBEQOJ-INIZCTEOSA-N 476.334 4.225 5 40 JIBB COc1cc2c(cc1NC(=O)CCN1C(=O)c3cccc([N+](=O)[O-])c3C1=O)oc1ccccc12 8824337 NECSGWIMUNNYTI-UHFFFAOYSA-N 459.414 4.128 5 40 JIBB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)COc1ncnc2cc([N+](=O)[O-])ccc12 12529826 HQYJZJCNDIAOMY-UHFFFAOYSA-N 482.474 4.362 5 40 JIBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1Br 14009750 WTEPDLPIDQKRCU-UHFFFAOYSA-N 459.119 4.247 5 40 JIBB COc1cc(CCNC(=O)NCCSCc2ccc(Cl)cc2)c([N+](=O)[O-])cc1OC 14020494 DTEYZBVROMAZDY-UHFFFAOYSA-N 453.948 4.041 5 40 JIBB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3cccc([N+](=O)[O-])c3)c3ccccc3C2=O)cc1 101762797 ITFVEFIKKFGXDS-JCMHNJIXSA-N 457.442 4.412 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223744312 GGARCWIBSABDJV-FCHUYYIVSA-N 466.519 4.176 5 40 JIBB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)scc12 9381507 QOZQJDVIIBBLTO-UHFFFAOYSA-N 496.476 4.232 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCC2)c2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 9439998 VRSOHJATZFICJA-UHFFFAOYSA-N 485.484 4.176 5 40 JIBB C[C@H]1CC[C@@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 17986922 HNFJLCRNUKHINH-DOPJRALCSA-N 484.892 4.214 5 40 JIBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3)CC2)cc1 21124436 JTBNZMOPYHCTEE-UHFFFAOYSA-N 488.544 4.137 5 40 JIBB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 100821764 VZDUPEOJCCBNJN-GOSISDBHSA-N 482.493 4.114 5 40 JIBB CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])s2)sc2cc(Br)ccc21 100873388 AQRIIJHXDVJXSC-VLGSPTGOSA-N 456.343 4.213 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCCN12 408567174 QDWGKLPMJDBUIZ-RAKSCHNQSA-N 473.504 4.459 5 40 JIBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@H](C)CC[C@H]2C1=O 408643347 FUZQBLBHVNVCAZ-ZINXYGQCSA-N 477.517 4.035 5 40 JIBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)S2)cc1 408777440 ZHMVFFJFHWDNDI-YHTSIIMFSA-N 497.314 4.067 5 40 JIBB COc1cc(C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc(OC)c1OC 971810 ZGNJGZTVAKPCSP-UHFFFAOYSA-N 467.430 4.453 5 40 JIBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 33728591 NTXWXBABFSTSGK-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB CCN(CC)C(=O)[C@@H]1CCCN(C(=S)Nc2ccc3nc4cc(OC)c(OC)cc4nc3c2)C1 408993435 CVIYYTGGPSRKLA-MRXNPFEDSA-N 481.622 4.077 5 40 JIBB O=C(COC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 408998366 LQQIJTURYJYBIC-HSZRJFAPSA-N 474.469 4.084 5 40 JIBB Cn1c(SCC(=O)Nc2ccc(O)c([N+](=O)[O-])c2)nnc1-c1ccc(Cl)cc1Cl 409158789 LSTYBJPEKYRUTP-UHFFFAOYSA-N 454.295 4.134 5 40 JIBB O=C(O[C@]1(C(F)(F)F)C(=O)Nc2c1ccc1ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3212644 GMOYIAPWXUBMFM-IBGZPJMESA-N 461.308 4.223 5 40 JIBB COc1cc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)c([N+](=O)[O-])cc1OC 3355459 JAWKXMLZECWQKG-UHFFFAOYSA-N 463.657 4.368 5 40 JIBB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(OCC)c2ccccc12)c1cccc([N+](=O)[O-])c1 8856186 ZYDGJZFTOSGBGX-HXUWFJFHSA-N 472.519 4.120 5 40 JIBB CC(C)c1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)cc1 13083813 FTPZTAZTNZSJRD-GOSISDBHSA-N 456.524 4.337 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)n1C 13401486 WVPGSGGHSLKURN-UHFFFAOYSA-N 463.519 4.495 5 40 JIBB CCOc1ccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc([N+](=O)[O-])cc3)c2=O)cc1 20151653 DMURTOXNEIPWNV-UHFFFAOYSA-N 451.504 4.186 5 40 JIBB CCCCCn1c(=N)c(S(=O)(=O)c2ccc(Cl)cc2)cc2c(=O)n3cc(C)ccc3nc21 100707528 HVZPISXICYMTIL-UHFFFAOYSA-N 470.982 4.113 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)C(CC)CC 103628749 XQZXNTSUDZZOEJ-NFFVHWSESA-N 464.566 4.195 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C1=O 205707073 KSHYJSQNPKDGBR-GIJQJNRQSA-N 487.446 4.283 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223326061 JQJLDLXKSROAEC-PBNUPURSSA-N 480.546 4.410 5 40 JIBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCO)C2=O 408757977 SXFQSNBWTBFXKT-UHFFFAOYSA-N 455.264 4.074 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 409047937 QCAFCTHJPSKLTG-QQNJPBSNSA-N 488.883 4.267 5 40 JIBB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9441969 SCUQWUTUCKRBIQ-UHFFFAOYSA-N 458.887 4.298 5 40 JIBB O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@@H]1CCCO1 9612429 PGZXTQQHSNWOEB-AWEZNQCLSA-N 484.452 4.217 5 40 JIBB O=C(Nc1ccc(I)cc1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12517528 XJUJVANCJIZRMP-UHFFFAOYSA-N 451.264 4.055 5 40 JIBB Cc1cc(=O)oc2c(C)c(Oc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])ccc12 89568512 OYEFNWLONRVPLK-UHFFFAOYSA-N 458.492 4.285 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225202488 YCUMBPWZBIVIQF-MRXNPFEDSA-N 476.371 4.233 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC3CCN(C(=O)c4ccco4)CC3)c([N+](=O)[O-])c2)c(C)c1 8705900 RIXRGFWFJRWCDN-UHFFFAOYSA-N 498.561 4.322 5 40 JIBB CCOC(=O)C1=C(C)[C@H](c2ccccc2)N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=N1 9270460 SIICSWYXUCYSNL-UYAOXDASSA-N 451.504 4.029 5 40 JIBB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)ccc1[N+](=O)[O-] 9714158 BLINSDHATQOUBT-UHFFFAOYSA-N 454.295 4.330 5 40 JIBB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14122456 QBRGPPGQCQBNIG-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB O=C(CCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cc(Cl)ccc1-n1cncn1 57973568 OOERPNGSGFDJAD-UHFFFAOYSA-N 454.796 4.288 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 408622947 QHORCYIPNOFCQT-ISQHLFTMSA-N 475.844 4.033 5 40 JIBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 409237350 WDCLDUDVJSEQQR-WOJGMQOQSA-N 496.863 4.048 5 40 JIBB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)s1 1887020 INKVICJKSWKBDQ-MRXNPFEDSA-N 454.851 4.264 5 40 JIBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1ccc(F)c(Cl)c1 2231506 LWUIJVQYXLPRDG-UHFFFAOYSA-N 451.889 4.285 5 40 JIBB CCOc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)c([N+](=O)[O-])c1 8684394 SVWCMCTYDXGAQF-UHFFFAOYSA-N 459.455 4.186 5 40 JIBB COc1c(C(=O)NC(=S)Nc2cc([N+](=O)[O-])ccc2O)cc2ccccc2c1Br 14275208 VFTQEYVLGOXNTQ-UHFFFAOYSA-N 476.308 4.352 5 40 JIBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 102756971 JOMCFRDCHSYCOG-BHIFYINESA-N 495.875 4.014 5 40 JIBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OCC)c(OC)c2)cc1 408571116 NRIRGWIFVFRVQL-NRFANRHFSA-N 458.540 4.492 5 40 JIBB Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1 408585429 DMIPTKPCEPBHCI-UHFFFAOYSA-N 453.520 4.041 5 40 JIBB CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1 409314795 HMHQJKRAVSKCEQ-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 8831344 KUHBQDADVMIQJR-UHFFFAOYSA-N 469.304 4.197 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(Cc4ccccc4)CC3)c([N+](=O)[O-])c2)c(C)c1 62640739 CLKFHXCXTLLQGU-UHFFFAOYSA-N 480.590 4.335 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224270248 DHICYUKIKVTFND-HXUWFJFHSA-N 463.987 4.425 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225520698 CBCXWQNTHNVVDP-NQIIRXRSSA-N 471.554 4.013 5 40 JIBB Cn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(Br)ccc1O 408544104 RZYIXFRXGLTUGW-UHFFFAOYSA-N 498.746 4.243 5 40 JIBB Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cc2)n1 4773083 BFEFJXPKHRJDDG-UHFFFAOYSA-N 476.902 4.100 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(Br)cc(Br)c1OC 8832240 GDOYCVFIYCOHIA-UHFFFAOYSA-N 460.078 4.389 5 40 JIBB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9352286 DFTPYKBIKXODIL-IBGZPJMESA-N 470.532 4.019 5 40 JIBB O=C(Nc1nc(-c2cc([N+](=O)[O-])cs2)cs1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9368095 IOHCEPNRRCAMHX-UHFFFAOYSA-N 478.577 4.207 5 40 JIBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153180 ASAZTHSLBSIGIQ-UHFFFAOYSA-N 480.546 4.383 5 40 JIBB COc1cc(NC(=O)c2ccc(Oc3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc([N+](=O)[O-])c1 100052517 NCUTZQMMYCUDLB-UHFFFAOYSA-N 454.351 4.464 5 40 JIBB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)O)n[nH]1 408631544 KEVRGCFEHDUDOU-PXNMLYILSA-N 462.871 4.268 5 40 JIBB O=C(CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1)Nc1ccc([N+](=O)[O-])cc1 57688674 YIIOWPCJGVAGAH-UHFFFAOYSA-N 457.943 4.132 5 40 JIBB COc1ccc([C@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)N2CCCCC2)cc1 68838412 AREQXKKVLYDOIL-QHCPKHFHSA-N 488.610 4.027 5 40 JIBB O=C1[C@H]2[C@@H](c3cccc([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1Br 102710931 VUCDUKWQOFVHBX-PWRODBHTSA-N 494.301 4.408 5 40 JIBB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225694883 JDGVNGGDCZAJCP-INIZCTEOSA-N 476.371 4.089 5 40 JIBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408658436 VALXACAPERJICL-XMCHAPAWSA-N 483.908 4.052 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408689189 XTWCKIAWYYWWLF-HKUYNNGSSA-N 453.882 4.147 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408737334 NQHMCHMAOKMWBX-JOCHJYFZSA-N 478.461 4.288 5 40 JIBB O=C(O)CN1C(=O)S/C(=C/c2c(OCc3cccc([N+](=O)[O-])c3)ccc3ccccc23)C1=O 409130181 KOLNDMSLNZHVFR-RGVLZGJSSA-N 464.455 4.448 5 40 JIBB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409347554 MPCBBPBGPBVSLZ-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB O=C(Nc1nc2c(s1)CCCC2)c1cc([N+](=O)[O-])ccc1Sc1nnnn1-c1ccccc1 3430681 DNKGAAODCHMDQE-UHFFFAOYSA-N 479.547 4.309 5 40 JIBB O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9190684 HLGQBRHZJDITRT-HSZRJFAPSA-N 454.841 4.395 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(C(F)(F)F)c1 15049625 PJWLQUNEFPAMKV-NVNXTCNLSA-N 451.382 4.289 5 40 JIBB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc(C(=O)OC)cc([N+](=O)[O-])c1 23053458 HKRRLZVNWFHNJX-UHFFFAOYSA-N 458.858 4.137 5 40 JIBB Cc1csc(Sc2ccc(C(=O)NC[C@H](c3cccs3)N3CCOCC3)cc2[N+](=O)[O-])n1 29842177 BUBAAHDYWUZQTQ-QGZVFWFLSA-N 490.632 4.376 5 40 JIBB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3)o2)cc1 39773601 STNDYVCCWWFLOB-UHFFFAOYSA-N 459.418 4.158 5 40 JIBB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 102749457 INKGUAIAJDNUEY-DNVJHFABSA-N 461.449 4.347 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)cc1 409273006 USLGLLRSLHSYAZ-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB Cc1cccc(N(CCOC(=O)c2ccc([N+](=O)[O-])c(C)c2)C2=NS(=O)(=O)c3ccccc32)c1 3583467 AAPXWMRORXMZGY-UHFFFAOYSA-N 479.514 4.024 5 40 JIBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1c2ccccc2SC[C@H]1c1ccccc1 9663305 RRGBZMIMCXAHOO-NRFANRHFSA-N 458.499 4.185 5 40 JIBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1c2ccccc2SC[C@@H]1c1ccccc1 9663308 RRGBZMIMCXAHOO-OAQYLSRUSA-N 458.499 4.185 5 40 JIBB Cc1cccc(N2CCN(C(=O)C3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)CC2)c1 16281213 LXKSPGAGUMEHLE-UHFFFAOYSA-N 476.499 4.487 5 40 JIBB O=C(c1ccccc1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20518865 NPZOYJXUMHPAFJ-NZCWTCFWSA-N 471.538 4.414 5 40 JIBB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 22247458 KIVFYSORQSIWQH-QHCPKHFHSA-N 497.573 4.139 5 40 JIBB Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ncc([N+](=O)[O-])s3)[C@@H]2c2ccc(Cl)cc2)cc1 24193021 UHSJZORUAAFFQY-MRXNPFEDSA-N 491.934 4.345 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 408569396 WMLUTYDPNLNKFG-TUPPOGIXSA-N 473.504 4.459 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 409003477 SGWCABXEJDIKJS-DVECYGJZSA-N 459.546 4.369 5 40 JIBB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409209645 HKTKMRHJORZXFQ-JAIQZWGSSA-N 470.503 4.409 5 40 JIBB CCOc1cc(/C=C2\N=C(c3ccc(C)c([N+](=O)[O-])c3)OC2=O)cc(Br)c1OC(C)=O 779728 KGKLGORHLPOYPW-PXNMLYILSA-N 489.278 4.334 5 40 JIBB COc1cc(/C=C2\N=C(c3cc([N+](=O)[O-])ccc3Cl)OC2=O)cc(Cl)c1OC(C)=O 2318049 JJOXGOGCEYIWIM-UUASQNMZSA-N 451.218 4.180 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 8896514 VUMYNBWSFDJFHO-GFCCVEGCSA-N 490.607 4.042 5 40 JIBB C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1 12564719 ANCNOXRNDJUZNF-CQSZACIVSA-N 488.905 4.477 5 40 JIBB Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 12937406 ISYFDQORTSQOIQ-HNNXBMFYSA-N 456.886 4.456 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 14071295 YPXWXGLVDQODAB-UHFFFAOYSA-N 462.329 4.367 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1cccc(Cl)c1 34869116 WAWVVJLRFSVNRH-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB CC(C)(CNC(=O)c1cc(OCC(F)(F)F)ccc1[N+](=O)[O-])N1CCc2ccccc2C1 58305449 WJWRQKYIKBNINA-UHFFFAOYSA-N 451.445 4.103 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)/C=C/c1ccccc1 101176824 MAHABLXNTXDERU-BPVYTQSYSA-N 496.567 4.472 5 40 JIBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 102756972 JOMCFRDCHSYCOG-YPAWHYETSA-N 495.875 4.014 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1[N+](=O)[O-] 409180469 UANWOXUCNPSXRA-CAOOACKPSA-N 461.883 4.240 5 40 JIBB CCc1cccc(C)c1NC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 678500 POOIIYDUWJGYEF-JOCHJYFZSA-N 457.486 4.312 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 8759075 VUYMRSUAYJUVMQ-UHFFFAOYSA-N 465.285 4.147 5 40 JIBB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 9669413 WXRHXTFVGQGYDF-LJQANCHMSA-N 467.503 4.430 5 40 JIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1 16430126 BKOPCSBOWPIYKQ-ONNFQVAWSA-N 480.908 4.456 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 224855508 TYXIOBSCDKAGGV-UHFFFAOYSA-N 457.552 4.100 5 40 JIBB N=C(Nc1ccc([N+](=O)[O-])cn1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 225239353 ILBPZQFYCCZRCG-UHFFFAOYSA-N 452.465 4.022 5 40 JIBB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409098530 ITDFKKJDRPWLMJ-XLTHYULKSA-N 465.487 4.196 5 40 JIBB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409144757 PTHOLIYBLCOAQX-NRFANRHFSA-N 496.593 4.373 5 40 JIBB Cn1c(Cn2cnc(Cl)c2Cl)nnc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 2556024 KKQRZXMKESTLGE-UHFFFAOYSA-N 453.233 4.445 5 40 JIBB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 3267520 ZKJICPUHEQIBMT-MRXNPFEDSA-N 472.526 4.364 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2Cc2ccccc2)cc1 12585346 YQWUJINORJDFTL-FQEVSTJZSA-N 495.557 4.252 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 15972372 VCOBWSSLVPVZKD-ZHRMCQFGSA-N 462.893 4.019 5 40 JIBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3cc(C(=O)O)ccc3Cl)cc2[N+](=O)[O-])CC1 20153087 GMVVFEPEPDXOTA-UHFFFAOYSA-N 476.942 4.310 5 40 JIBB C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N)c1ccccc1 101271440 YDHFJPFBXJNQBG-KRWDZBQOSA-N 483.959 4.321 5 40 JIBB O=C(O)CCCCCNC(=O)c1cccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1C(=O)O 584907300 GPDVANHMTYAFDT-UHFFFAOYSA-N 489.480 4.343 5 40 JIBB CCN(CC)C(=O)c1sc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)c(C(=O)OC(C)C)c1C 671396 HHAPZZNINOZKMP-UHFFFAOYSA-N 461.540 4.193 5 40 JIBB O=C(c1ccccc1)[C@H]1[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=N[C@]1(O)C(F)(F)F 1464593 QPTLBAXNYGFGCH-LVCYWYKZSA-N 475.379 4.163 5 40 JIBB Cc1cc(C)cc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)c1 2720073 JDPPIILYLUOFOM-UHFFFAOYSA-N 468.560 4.137 5 40 JIBB CCCCOc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 3187534 YZOPAQNZDOLLAG-UHFFFAOYSA-N 461.521 4.315 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccccc1Br 6878402 WQFODBNPILCINU-UHFFFAOYSA-N 492.355 4.375 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)cc1C 9191904 AMPLYLPRFGQHOC-KRWDZBQOSA-N 469.519 4.418 5 40 JIBB CC(C)[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900618 CLQSUEBVWAYKPT-NRFANRHFSA-N 454.914 4.069 5 40 JIBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187172 ZYXNJVVUGJXNFP-AWEZNQCLSA-N 498.995 4.225 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224882125 IDAPQJQRYAIQIL-AWEZNQCLSA-N 452.338 4.388 5 40 JIBB Cc1[nH]nc(O)c1C(c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)c1c(O)n[nH]c1C 409084811 WDVZZQLDECJRNG-UHFFFAOYSA-N 474.271 4.272 5 40 JIBB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409144760 PTHOLIYBLCOAQX-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409159466 ZZIWFECTJSYMAL-PXNMLYILSA-N 477.882 4.028 5 40 JIBB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 797487 HRZWAKIYDNMNRK-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9442736 FSSGQGGSGHBSHM-DEOSSOPVSA-N 452.511 4.247 5 40 JIBB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3ccccc3)nc2N1 12561685 KRQGXEUKBQIDRR-OAQYLSRUSA-N 453.462 4.176 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 100920816 KCPCMULNQZKOGI-SGNDLWITSA-N 473.485 4.435 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 103769215 LKQQYCUEDOYGCC-RBBKRZOGSA-N 488.887 4.174 5 40 JIBB CC(=O)c1ccc(N2CCN(C(=O)c3ccc4c(c3)nc(S)n3c5ccccc5nc43)CC2)cc1 2959585 LMFIMLHYASLEGD-UHFFFAOYSA-N 481.581 4.489 5 40 JIBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1)NCc1ccccc1Cl 8687869 NZLPVUIONFDNGK-UHFFFAOYSA-N 453.882 4.334 5 40 JIBB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9723588 IFENZQRKRZZRRG-UHFFFAOYSA-N 458.805 4.191 5 40 JIBB CCOC(=O)C1=C(c2ccccc2)Nc2[nH]c(SCC)nc(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 6016415 OHOXMLBINSZVSX-QGZVFWFLSA-N 478.530 4.322 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19820537 UTHDCKOEGKSBNQ-BJKOFHAPSA-N 484.512 4.303 5 40 JIBB CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 20412527 YYTAJSVMZYRCFW-UHFFFAOYSA-N 474.945 4.204 5 40 JIBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCC(C)CC1 26119088 ONRBVCFHXWESBG-UHFFFAOYSA-N 463.581 4.298 5 40 JIBB CCc1nc2c(c(=O)n1Cc1ccco1)c1nc3ccccc3nc1n2-c1cccc(OC)c1 2319945 MVXIZBKOXVOIQL-UHFFFAOYSA-N 451.486 4.496 5 40 JIBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OC1(CCCC1)O2 8747272 UXRVYRVBQQUAGE-UHFFFAOYSA-N 467.478 4.032 5 40 JIBB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9127036 OWZJSVGMNDMSOB-CYBMUJFWSA-N 452.521 4.418 5 40 JIBB COc1ccccc1-n1c(SCC(=O)N2CC(=O)Nc3ccccc32)nc2cc([N+](=O)[O-])ccc21 9129603 KGQUFAVXMHQPEY-UHFFFAOYSA-N 489.513 4.020 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19818213 XFLNQVXXESXTEN-NHCUHLMSSA-N 450.495 4.106 5 40 JIBB COc1ccc([C@H](CC(=O)Nc2cccc([N+](=O)[O-])c2C)N(C)S(=O)(=O)c2ccccc2)cc1 19936242 LFGMVQXGVLTXBY-QHCPKHFHSA-N 483.546 4.302 5 40 JIBB COc1cccc(/C=C\c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])c1OCc1ccc(Cl)cc1Cl 30840471 OEUGFOJYKRAJSP-VURMDHGXSA-N 464.261 4.036 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc([N+](=O)[O-])cc1 3375916 IDHVLWPMUODDKC-QGZVFWFLSA-N 457.335 4.497 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)CC1 12881470 IEMIISOORVSKCS-JOCHJYFZSA-N 491.997 4.225 5 40 JIBB CCCCCCOc1ccc(N2C(=O)C[C@@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 18250333 CMYKEDLFBFTCGH-XMMPIXPASA-N 480.565 4.008 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100625351 MUBGMWLUYWCMQE-ACRUOGEOSA-N 467.840 4.438 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 106021335 TYKZRTWFFHHUAD-ONJIFJTESA-N 471.538 4.414 5 40 JIBB CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 108028691 GLCNCXKJKRHFKH-UHFFFAOYSA-N 476.986 4.264 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1cc(Cl)ccc1OC 408636623 BHVCBRFQQZUNSQ-UHFFFAOYSA-N 477.930 4.275 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408685457 PMLKLKVNAFRYSZ-WNYOCNMUSA-N 453.882 4.003 5 40 JIBB CC(C)[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCc1cc(=O)oc2cc3c(cc12)CCC3 3420407 HZKJLHIDDKHYRU-QHCPKHFHSA-N 498.919 4.341 5 40 JIBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)[C@@H]1c1ccccc1 9234834 MCKVAJLAXMBZIS-WNCULLNHSA-N 488.544 4.284 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccc(F)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101167875 FWEWSUCNBRAABH-KRUMMXJUSA-N 490.535 4.205 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 103515308 ZVFYALXCWYEDMJ-LWSSLDFYSA-N 483.455 4.007 5 40 JIBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225648144 HWTLUFYMFWVAMX-CQSZACIVSA-N 498.363 4.231 5 40 JIBB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 408572039 GGPBMLBSFUJNNL-DHZHZOJOSA-N 488.544 4.053 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 408575309 UEEBPPWYHBLOQH-UHFFFAOYSA-N 473.529 4.252 5 40 JIBB CCCN1C(=O)N/C(=C/c2cc(OC)c(OCc3cccc([N+](=O)[O-])c3)cc2Br)C1=O 409243611 ZCPXHCDZLKNMNG-RQZCQDPDSA-N 490.310 4.248 5 40 JIBB COc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)c1 8435562 POCKGDANRMXSFM-JAIQZWGSSA-N 474.425 4.176 5 40 JIBB COc1ccc(N(CC(=O)N2c3ccccc3C[C@H]2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 13668772 GJMMRICEUSWRLS-GOSISDBHSA-N 495.557 4.085 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 101176454 MHNZNWAIKFLZMH-KRUMMXJUSA-N 486.572 4.445 5 40 JIBB CS(=O)(=O)Nc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2cccc([N+](=O)[O-])c2)c1 102415872 WUQTVPXIKHLBIZ-GMAHTHKFSA-N 464.503 4.209 5 40 JIBB COc1cc(NC(=O)CSc2nc(N)c3c4c(sc3n2)CCCC4)c(C)cc1[N+](=O)[O-] 9126966 JUMIJRZPTCUTGT-UHFFFAOYSA-N 459.553 4.108 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9606053 ZJFQFMFXVDKDLP-HNNXBMFYSA-N 450.447 4.448 5 40 JIBB COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@@H]3[C@@H]2[N+](=O)[O-])cc1OC 16037596 GGDLLVHIXFVNHN-ZYQDXHPFSA-N 457.486 4.089 5 40 JIBB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1 408552760 NOGXSFHNGSHXKZ-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408680258 FZRBOSGCLVTOFA-MDASCCDHSA-N 455.898 4.227 5 40 JIBB O=C(NOCc1ccc([N+](=O)[O-])cc1)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F 1393456 XIZGXRACKFWTNK-UHFFFAOYSA-N 468.306 4.339 5 40 JIBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(-c3cccc(Br)c3)nc21 2364186 JUEOVCFWNVNVGZ-UHFFFAOYSA-N 462.303 4.319 5 40 JIBB COc1ccccc1OCCOc1ccc([N+](=O)[O-])cc1/C=C1/N=C(c2ccccc2)OC1=O 2983535 AWWFGWBXWSNIIY-CAPFRKAQSA-N 460.442 4.406 5 40 JIBB COc1cccc([C@@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCCC2)c1 13068682 DCOUFTXGUPWESC-RUZDIDTESA-N 466.582 4.407 5 40 JIBB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 22233188 UWJPOYUKAKCSJO-UHFFFAOYSA-N 489.937 4.232 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 97477322 HWJLUUFLOUQPQJ-QVQNZMNRSA-N 479.492 4.176 5 40 JIBB C[C@@]1(O)CC(=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 100574065 RADGSAFFTXGRGW-ZOJNDGCKSA-N 457.482 4.400 5 40 JIBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 104366788 JAPIBSOVPODGCJ-DGNAHBTNSA-N 499.483 4.314 5 40 JIBB O=C(CSc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408989161 HDJSEBYMMKBEIJ-LAUBAEHRSA-N 469.544 4.267 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1 6906640 QBLNYHBYRXEDKD-UHFFFAOYSA-N 489.513 4.281 5 40 JIBB O=C(CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1)OCc1ccccc1 8918936 RSWOWMYDBVUQHV-MOHJPFBDSA-N 487.512 4.006 5 40 JIBB C[C@@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)C(=O)Nc1cccc([N+](=O)[O-])c1 10021897 OHFUDZFZWKSXTQ-WZYMTQMTSA-N 450.582 4.468 5 40 JIBB CCc1c(-c2ccc(OC)c(OC)c2)nn(Cn2ccc([N+](=O)[O-])n2)c1-c1ccc(OC)c(OC)c1 22751767 GPORAHOCGIKRSM-UHFFFAOYSA-N 493.520 4.424 5 40 JIBB CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101206397 LJXSTPREHRDJNC-FSSWDIPSSA-N 461.499 4.368 5 40 JIBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)[C@H]1c1ccccc1 102774183 MCKVAJLAXMBZIS-YIXXDRMTSA-N 488.544 4.284 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1cccc(C(F)(F)F)c1 225213011 PTVRLXZCWPBFLJ-UHFFFAOYSA-N 493.463 4.125 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565182 INWFJGCTTGGURQ-QKSQJBIDSA-N 473.529 4.151 5 40 JIBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cccn3-c3ccc([N+](=O)[O-])cc3)C(=O)O)n[nH]2)c1 408633764 PBFCBOKVYKKPJM-NDENLUEZSA-N 493.501 4.406 5 40 JIBB CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)o2)c([N+](=O)[O-])c1 408721608 VNXGJHKTWHIOKS-UUYOSTAYSA-N 489.509 4.419 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc(Br)c1 409373271 SVNIKIXBOPUIFH-ISQHLFTMSA-N 475.298 4.234 5 40 JIBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc([N+](=O)[O-])ccc1Cl 21763303 GZRSAIXSTYYLOJ-UHFFFAOYSA-N 486.834 4.060 5 40 JIBB Cc1ccc(-n2nc(C)c(NC(=O)COC(=O)c3ccc(NC4CC4)c([N+](=O)[O-])c3)c2C)cc1 23951794 CYZHWZYEDQYXDY-UHFFFAOYSA-N 463.494 4.076 5 40 JIBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 59596139 BITIPMBWHRFQJY-XSZPGNIMSA-N 483.524 4.366 5 40 JIBB COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c1 102762961 YBVDIFBWHOGWLW-BHIFYINESA-N 479.876 4.308 5 40 JIBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224235551 VENSZHZOSXPWAL-JOCHJYFZSA-N 483.565 4.157 5 40 JIBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1CCCc1ccccc1 409141585 VRMFAODJAWOYLW-PGMHBOJBSA-N 453.520 4.101 5 40 JIBB Cc1ccc(-c2csc3ncn(C[C@H](O)COc4cccc([N+](=O)[O-])c4)c(=O)c23)cc1C 12811983 WBFNYXLMRYIXTH-SFHVURJKSA-N 451.504 4.090 5 40 JIBB CCOc1ccc2nc(NC(=O)c3cccn(Cc4cccc([N+](=O)[O-])c4)c3=O)sc2c1 15882820 KLENOUYKINSHQA-UHFFFAOYSA-N 450.476 4.066 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccc(Cl)cc1 33714452 CCZKACTZZIDWIT-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108914155 BANHIHOHNZMWBH-JQZBISMTSA-N 458.536 4.225 5 40 JIBB Cc1ccc(-c2nn(C(C)(C)C)c3ncnc(NS(=O)(=O)c4ccc([N+](=O)[O-])cc4)c23)cc1 1404528 KJEPYMRAOUQKRE-UHFFFAOYSA-N 466.523 4.266 5 40 JIBB CCOC(=O)c1cc(NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1N1CCOCC1 9907809 BMHQIKPCFYNPKT-UHFFFAOYSA-N 465.462 4.120 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cccc(C(F)(F)F)c1 101176459 XRMRBWGRRFSCNG-OFWBYEQRSA-N 498.461 4.167 5 40 JIBB Cc1cccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1 107737664 FVEMMDCNVNCJOY-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NCC(C)C)c1 224424635 BGSVDOJVJKIXFG-GOSISDBHSA-N 473.595 4.026 5 40 JIBB COc1cccc(C(=O)C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1 408687154 SYCNBXAMSPNYJR-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB CCOc1ccc(NC(=O)CSc2nnc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)s2)cc1 9369141 POXHHHRSVAFNNE-UHFFFAOYSA-N 493.954 4.482 5 40 JIBB Cc1ccc(S(=O)(=O)c2c(C)nn(C(C)(C)C)c2OC(=O)c2cccc([N+](=O)[O-])c2)cc1 9958526 UXHNSHXTSUAXSZ-UHFFFAOYSA-N 457.508 4.215 5 40 JIBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 14635283 SKNKAZSGGUNTEN-VMPITWQZSA-N 468.853 4.231 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19820122 QXPRZJTWGBCSSM-PKTZIBPZSA-N 470.485 4.260 5 40 JIBB Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C1=O 408976185 QCQQSOVSLFKORX-UHFFFAOYSA-N 457.402 4.259 5 40 JIBB Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1C 8966058 RWYYLTJDWYIOLA-AREMUKBSSA-N 457.486 4.198 5 40 JIBB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCCCC5)c([N+](=O)[O-])c4)c3)nn12 9192625 HMXAURUIGAQHRS-UHFFFAOYSA-N 463.523 4.312 5 40 JIBB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1 13112222 SOQQVMBMOJVUBA-UHFFFAOYSA-N 495.546 4.209 5 40 JIBB CC(C)c1noc(CN2CCN([C@@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)CC2)n1 24830389 SDETXMHDZGOLAC-JOCHJYFZSA-N 498.971 4.252 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225383160 ANAYSOSHOUDUNL-MSOLQXFVSA-N 473.595 4.169 5 40 JIBB CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OCC 225770702 NTZAGXBHDHALHD-UHFFFAOYSA-N 456.495 4.247 5 40 JIBB O=C(CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1 408666205 XLBBIEFCQVVXHL-UHFFFAOYSA-N 473.791 4.168 5 40 JIBB O=C(COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1)c1cccc([N+](=O)[O-])c1 408998374 LQQIJTURYJYBIC-QHCPKHFHSA-N 474.469 4.084 5 40 JIBB CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccc(Br)cc2c1=O 9284433 NGZAECYXFGPDAY-UHFFFAOYSA-N 478.324 4.246 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)C(C)(C)C)[C@@H]2C1=O 16038856 FHPNSECRCBHIPP-CBPXPLCBSA-N 459.502 4.034 5 40 JIBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(Cl)cccc1Cl 35178448 URCANUVHVNUHSV-FNORWQNLSA-N 464.261 4.449 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 103516745 ARROASCPBJVBSE-JBXUNAHCSA-N 495.491 4.002 5 40 JIBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223398194 XDWPGJCZGRAIOT-LJQANCHMSA-N 491.972 4.358 5 40 JIBB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(-c3cccnc3)nc2N1 940797 PRSSKVZDPAWBRI-OAQYLSRUSA-N 453.462 4.176 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1 2212608 YKPVISPEXRXLGY-CQJMVLFOSA-N 470.529 4.146 5 40 JIBB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NC(=O)c1cccc([N+](=O)[O-])c1 2623406 CRNHEXWAOJAZAT-UHFFFAOYSA-N 471.498 4.163 5 40 JIBB Cc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c(C)cc1I 14271104 MJOKNQJFGHBPFD-UHFFFAOYSA-N 469.304 4.251 5 40 JIBB CC(C)(C)c1ccc(OCCOc2ccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])cc2)cc1 34718974 OWBFNZGJCLLWID-AWNIVKPZSA-N 451.479 4.309 5 40 JIBB CCc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 224839857 CJIVLNQEIJRCGA-GOSISDBHSA-N 467.547 4.230 5 40 JIBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225165004 UJJAGVXRGANFJC-JOCHJYFZSA-N 457.596 4.470 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408567111 PRSSRGAPVHVXOT-LXISHSFJSA-N 493.947 4.496 5 40 JIBB Cc1cc(C)n(-c2cc(N3CCN(C(=O)NC45CC6CC(CC(C6)C4)C5)CC3)ccc2[N+](=O)[O-])n1 12446078 NJWSLVNHDQJJHE-UHFFFAOYSA-N 478.597 4.198 5 40 JIBB COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)[C@@H]1CC=CO1 12843115 QHUIZLQBROSXKD-NRFANRHFSA-N 466.494 4.087 5 40 JIBB CCN(c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccc(C)cc1 13585365 NARIBVCSEZFWRO-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB Cc1c(C(=O)N2CCN(c3ccccc3F)CC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 16992549 BMPDDKHJBSOCSJ-UHFFFAOYSA-N 465.510 4.381 5 40 JIBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224932749 QFHKFEHVDVCOLK-RUZDIDTESA-N 477.536 4.441 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)C1CCCCC1 408619547 IQPIYKSKIMSPSH-UHFFFAOYSA-N 475.567 4.182 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686019 QYHWKFMHXZUJPZ-XMCHAPAWSA-N 455.898 4.227 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H](O)[C@H]4CCCC[C@@H]43)c([N+](=O)[O-])c2)c(C)c1 1163968585 QULSSANTCPJCHP-LEDOBFOHSA-N 459.568 4.142 5 40 JIBB CN1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 2326313 IUFXRPNIURFKLD-HXUWFJFHSA-N 481.490 4.199 5 40 JIBB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 9846269 MGNKOUBWDBPAND-OAHLLOKOSA-N 476.986 4.262 5 40 JIBB CC(C)Oc1ccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9971695 SNGJXWQSORQVQB-UHFFFAOYSA-N 482.415 4.271 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)o1 223247078 HVQRACKTPYZDPI-DHIUTWEWSA-N 481.578 4.183 5 40 JIBB CC(=O)c1cc(OC(=O)c2cccc([N+](=O)[O-])c2)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 1837927 LJPUMIIBYLWUDG-UHFFFAOYSA-N 450.359 4.144 5 40 JIBB COc1cc(C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)ccc1OCc1c(C)noc1C 2643863 HSDXDFNTJLTDGY-UHFFFAOYSA-N 470.434 4.011 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 8783023 OARMWLDKGPHGFV-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1[N+](=O)[O-] 57256225 FMLJOKYKAJASDA-UHFFFAOYSA-N 464.497 4.317 5 40 JIBB CCOc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 8902150 SAFLKFPRJIWICX-UHFFFAOYSA-N 498.923 4.455 5 40 JIBB COc1ccc(CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)COC(C)(C)C5)cc1 9345207 ZEZKOVSKCNXVGF-UHFFFAOYSA-N 466.592 4.447 5 40 JIBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 14273534 JWRMIRAPZRQGIP-UHFFFAOYSA-N 468.897 4.429 5 40 JIBB CC[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 20485965 SEBNLZQHFRKKSP-HSZRJFAPSA-N 467.547 4.366 5 40 JIBB CC(C)OC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 408623082 QRWQWLBZGKQTGV-MSSGHMPVSA-N 482.492 4.037 5 40 JIBB COc1ccc([C@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)cc1[N+](=O)[O-] 855122 YEXRFKGHHZVRQH-JOCHJYFZSA-N 456.545 4.292 5 40 JIBB CCOC(=O)C1=C(C)[C@H](c2ccccc2)N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=N1 9270456 SIICSWYXUCYSNL-AZUAARDMSA-N 451.504 4.029 5 40 JIBB CS(=O)(=O)Nc1cccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 9352294 WUQTVPXIKHLBIZ-JTHBVZDNSA-N 464.503 4.209 5 40 JIBB COc1cc(C(=O)OCC(=O)N2N=C(c3ccc(C)cc3)C[C@@H]2c2ccco2)c([N+](=O)[O-])cc1OC 9509865 ZMGOQHUNINLTGY-HXUWFJFHSA-N 493.472 4.048 5 40 JIBB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153358 UBTKAPVNSUHLTQ-UHFFFAOYSA-N 496.545 4.083 5 40 JIBB Nn1c(S[C@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1C(F)(F)F 36640291 LOCOLNDIZLJILL-ZDUSSCGKSA-N 472.836 4.044 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1)[C@@H]1CCCN12 408565971 MLTXRJVQZNKPNM-TUPPOGIXSA-N 455.514 4.320 5 40 JIBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O 409209870 GMCFQMUOYXXOPL-SXGWCWSVSA-N 476.308 4.341 5 40 JIBB COc1cc2c(cc1NC(=O)COC(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)oc1ccccc12 9923574 NQKKLHMWUDAFCW-UHFFFAOYSA-N 463.446 4.364 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1 13579694 CJHAIWRSYUDBKG-KDURUIRLSA-N 451.504 4.090 5 40 JIBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1ccc(NC(C)=O)cc1 19929355 ATDUGPQOIXHMGK-UHFFFAOYSA-N 468.539 4.179 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 36089843 DNHIPCVCHGGQRF-IWNAYQHTSA-N 497.507 4.232 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(c1ccccc1)=NN2c1ccc([N+](=O)[O-])cc1 101235925 DTWVLULITKZTEH-UNMCSNQZSA-N 460.877 4.339 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408688172 VVFQIZNJDDLGOR-UWWQBHOKSA-N 455.898 4.227 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(F)c1 409233391 VRUSUVZLKNGTRO-XDHOZWIPSA-N 466.450 4.200 5 40 JIBB COc1ccc(NS(=O)(=O)c2cccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)c2)cc1 9097224 BIFWSKHOOQMTQH-UHFFFAOYSA-N 496.545 4.257 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Nc1cccc(Nc2ccccc2)c1 9703659 LBANXDFVGWHFIL-UHFFFAOYSA-N 454.508 4.103 5 40 JIBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 12564108 KOESHCOJZFISTE-HSZRJFAPSA-N 458.474 4.440 5 40 JIBB CSc1nc2nc(C)c(CCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)c(C)n2n1 12986127 BGCNGLHOEGAOKV-UHFFFAOYSA-N 469.552 4.066 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCc2ccc3c(c2)OCO3)c([N+](=O)[O-])c1 15173381 MZUBYWMYFDSJAT-UHFFFAOYSA-N 455.492 4.151 5 40 JIBB Cc1cc(C)c(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 20004818 RVCGGZYTIJEUMR-QHCPKHFHSA-N 481.574 4.357 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 33771922 ANFHCDCDKXLNEI-UHFFFAOYSA-N 485.518 4.120 5 40 JIBB O=C(c1cccs1)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851567 WIYGUJNNCFACAI-UMCMBGNQSA-N 477.567 4.475 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36307709 PKNFLNIAEUQHQA-ZGXDEKTJSA-N 486.553 4.117 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223149046 WMMODSOSPVRREZ-HOTGVXAUSA-N 476.371 4.232 5 40 JIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 2057945 RCIKEFHYGIZXJE-HXUWFJFHSA-N 494.847 4.002 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1[N+](=O)[O-] 9511950 UENKGRDPNKDNNS-UHFFFAOYSA-N 480.296 4.312 5 40 JIBB O=C(COC(=O)CSc1nnc(NC2CCCCC2)s1)Nc1cc(Cl)ccc1[N+](=O)[O-] 16050321 BFAQJRPNDSNGNF-UHFFFAOYSA-N 485.975 4.118 5 40 JIBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223721389 OPBOKNPOWVRBLW-GOSISDBHSA-N 455.580 4.304 5 40 JIBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1 408562862 GEOROVZBINUINN-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408683510 LMXKMNQTTQUTOG-JSNMRZPZSA-N 453.882 4.003 5 40 JIBB Cc1noc(C)c1COc1ccccc1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9284403 IUPMCIGYBPWLKY-UHFFFAOYSA-N 450.407 4.186 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 12630402 QMSRHMKUDJGEKP-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 20671625 JZUHZDBWHUBKHB-INIZCTEOSA-N 461.503 4.246 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1cc(C)cc(C)c1 102919331 PYPKJLLWMORXCR-QCWLDUFUSA-N 486.572 4.148 5 40 JIBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cccc1[N+](=O)[O-] 109031879 QPHMVSZOZGQGSU-UHFFFAOYSA-N 475.910 4.375 5 40 JIBB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222414675 KDJGFURQRGULHN-QFIPXVFZSA-N 457.596 4.468 5 40 JIBB CCn1c(S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)O)nnc1-c1ccc(Cl)cc1 408634422 QZQMQUUTSPXLAW-IUXPMGMMSA-N 474.882 4.473 5 40 JIBB COc1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 9313179 SEURAFXKYPYKPI-JBXUNAHCSA-N 471.469 4.499 5 40 JIBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)/C=C/c1ccco1)CC2 11726270 AHGNECGJUNRNEL-DGSRBQDKSA-N 464.474 4.423 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 12378209 UJWOKUJWETVNPD-UHFFFAOYSA-N 455.492 4.071 5 40 JIBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)CC2)cccc1[N+](=O)[O-] 13677510 KVUSFAGMBPJAIB-UHFFFAOYSA-N 486.377 4.391 5 40 JIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1cccc(I)c1 14275936 COFLIZXAISHCPO-UHFFFAOYSA-N 475.695 4.288 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 138775211 PTJHMGOMAJLQSC-NIKGAXFTSA-N 455.898 4.227 5 40 JIBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225390847 ICODPXODALMGOA-JOCHJYFZSA-N 473.595 4.170 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc([N+](=O)[O-])c1O 409152630 KPXUWXYNMLPRAE-MFOYZWKCSA-N 489.531 4.096 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2)c1 3569739 NKGQYBDQDZKDGT-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 9108554 YKPVISPEXRXLGY-RSYZFUPGSA-N 470.529 4.146 5 40 JIBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851565 WIYGUJNNCFACAI-ZGDJDIHISA-N 477.567 4.475 5 40 JIBB Cc1cccc2nc(C[N+]3(Cc4cn5c(C)cccc5n4)CCC[C@H](c4ccnn4C)C3)cn12 48261461 SDFKILVPULLBPF-QFIPXVFZSA-N 454.602 4.427 5 40 JIBB COc1ccc(NC(=O)COC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c([N+](=O)[O-])c1 102218432 BVISTMANSFFJFH-RKOMNEFPSA-N 481.343 4.209 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408688005 VMLZSNSHXCUZKD-DJKXOVBDSA-N 453.882 4.003 5 40 JIBB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(-c3cccnc3)nc2N1 940798 PRSSKVZDPAWBRI-NRFANRHFSA-N 453.462 4.176 5 40 JIBB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6177073 QJKOSVRYXKZMMK-UHFFFAOYSA-N 491.529 4.494 5 40 JIBB COc1ccccc1-n1c(SCC(=O)Nc2ncc([N+](=O)[O-])s2)nc2cc([N+](=O)[O-])ccc21 9520228 LWMGHICLONDWFD-UHFFFAOYSA-N 486.491 4.038 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)N2CCC(Cc3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 16044000 WHNMTNOYBMRDJC-UHFFFAOYSA-N 479.558 4.491 5 40 JIBB Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C(=O)C(F)(F)F)cc1 17610648 ISIIONQKHDSMJK-WOIUINJBSA-N 489.406 4.110 5 40 JIBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225363963 MKJXKGDXMIDQSN-JOCHJYFZSA-N 473.595 4.170 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccc(C)cc1 408559483 XIEUUCUYMTYUJN-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 942748 YNXXYPLUQPAUNA-DEOSSOPVSA-N 493.541 4.018 5 40 JIBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nn(Cc3c(F)cccc3Cl)cc2Br)cc1 2804545 YASLEANRUYJVFY-UHFFFAOYSA-N 489.710 4.195 5 40 JIBB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 3177501 IQMNHXWZUDVWED-UHFFFAOYSA-N 491.875 4.306 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2[N+](=O)[O-])cc1 9226681 ZAWZEQQLBLNOIA-KRWDZBQOSA-N 469.519 4.216 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 9668103 SQFPDUXUISQONK-NTEUORMPSA-N 456.502 4.209 5 40 JIBB CCOc1cccc(NC(=O)CN(c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 10294554 HBGOEBUBVKNLPI-UHFFFAOYSA-N 499.545 4.145 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1Cl 14269096 MTPAZWXUXYSGLD-UHFFFAOYSA-N 453.351 4.047 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 22232806 NJRGCEAIZZXKNU-UHFFFAOYSA-N 487.509 4.026 5 40 JIBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1Cc1ccccc1 102752082 LYZIFPAOTGDOBL-YPAWHYETSA-N 463.877 4.295 5 40 JIBB O=[N+]([O-])c1ccc(N2Cc3cc4c(cc3C2)CN(c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C4)c([N+](=O)[O-])c1 103756177 QJXPKXLDWGZKJP-UHFFFAOYSA-N 492.404 4.360 5 40 JIBB COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C1=O 409240772 PTDFWYRNUBIDQA-WOJGMQOQSA-N 459.436 4.368 5 40 JIBB COc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccc(C)cc1 409271293 UIQHPCDOZYQCNY-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1ccccc1C(C)C 409348271 RYZLOEPHGAGAML-PKNBQFBNSA-N 480.477 4.116 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccc(Br)c1 835150 KUSGWVALFFWEIG-UHFFFAOYSA-N 490.335 4.191 5 40 JIBB O=C(OCC(Br)(COC(=O)c1ccc(Cl)cc1)[N+](=O)[O-])c1ccc(Cl)cc1 2555998 OTTNZJATLQHYQA-UHFFFAOYSA-N 477.094 4.375 5 40 JIBB Cc1csc(Sc2ccc(C(=O)Nc3sc4c(c3C(N)=O)CCC4)cc2[N+](=O)[O-])n1 3418616 XEBKTILRGBLLMH-UHFFFAOYSA-N 460.562 4.412 5 40 JIBB C[C@@H](OC(=O)c1ccc(S(C)(=O)=O)c([N+](=O)[O-])c1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3503178 ABYZKVHSOHQFKC-MRVPVSSYSA-N 495.724 4.143 5 40 JIBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(Br)cc1 9064936 NDVYCLOGFARPGU-UHFFFAOYSA-N 459.119 4.247 5 40 JIBB O=C(CCCc1nc2ccccc2s1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9960335 ZFDROEJLTRBGTJ-UHFFFAOYSA-N 488.572 4.455 5 40 JIBB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-] 10058806 TXXMTKFKJBELPO-XMMPIXPASA-N 450.878 4.298 5 40 JIBB CCOc1ccc(N2C(C)=C(C(=O)OC)C(c3ccc([N+](=O)[O-])cc3)C(C(=O)OC)=C2C)cc1 16691673 MOQXTOUYILKZJZ-UHFFFAOYSA-N 466.490 4.491 5 40 JIBB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 33625644 JBJIXOKQVTUTMR-UHFFFAOYSA-N 466.793 4.209 5 40 JIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1cc(Br)cc(Br)c1O 408841212 DCFCMGUOQBSOPN-AWNIVKPZSA-N 468.057 4.170 5 40 JIBB COc1ccc(CCn2c(-c3cccs3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 2204531 JRYMZIGYAABIGN-UHFFFAOYSA-N 473.554 4.237 5 40 JIBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2)cc1 9191861 QNUCWMHBRDXWCB-QGZVFWFLSA-N 469.519 4.418 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 20228510 CACBCUFWIANUCQ-UHFFFAOYSA-N 458.521 4.213 5 40 JIBB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 22718324 DAJITQLIZZPUBR-UHFFFAOYSA-N 481.488 4.006 5 40 JIBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 72230009 MTYJPUHAYAUPGD-QHCPKHFHSA-N 467.909 4.419 5 40 JIBB COCc1cccc(NC(=O)c2ccc(CN(c3cc([N+](=O)[O-])ccc3C)S(C)(=O)=O)cc2)c1 224856873 MILVTJNTCCPIGE-UHFFFAOYSA-N 483.546 4.268 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408685455 PMLKLKVNAFRYSZ-LXGCGDOSSA-N 453.882 4.003 5 40 JIBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3Br)o2)cc1[N+](=O)[O-] 853502 SJJPGNOBTMTXLZ-UHFFFAOYSA-N 478.328 4.392 5 40 JIBB Cc1c([N+](=O)[O-])cc(C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1[N+](=O)[O-] 2887478 SWOALCXZQASGNH-UHFFFAOYSA-N 495.444 4.200 5 40 JIBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])c(C)c3)OC2=O)cc(Br)c1OC(C)=O 3373291 MPMGWCKQXGEZBU-CXUHLZMHSA-N 489.278 4.334 5 40 JIBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 10059197 RFHOPYPYOQNZGU-RUZDIDTESA-N 480.904 4.307 5 40 JIBB C[C@@H](Oc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 12522154 HCEXNQKSGYBJBY-AEBPFMNOSA-N 459.546 4.243 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 12852680 JILOVJJINMBITL-QHCPKHFHSA-N 453.520 4.260 5 40 JIBB COc1cc(C(=S)N2CCCCC2)cc(OC)c1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 13590261 DPQJGCXDMOUUHE-UHFFFAOYSA-N 489.506 4.209 5 40 JIBB O=C1CCCC(=O)C1([C@@H](C[N+](=O)[O-])c1c[nH]c2ccccc12)[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 13799557 GRJHRPQCVUASFH-OYRHEFFESA-N 488.500 4.379 5 40 JIBB COc1cc(/C=C2\CCn3c2nc2ccc([N+](=O)[O-])cc2c3=O)cc(Br)c1OC 15584099 CBAYSHGWPAGPQR-KPKJPENVSA-N 458.268 4.029 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 19161032 WSJJPLADCKRVSN-UHFFFAOYSA-N 453.520 4.096 5 40 JIBB CCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl 19912705 KVNDFJZAXJAFBD-AWEZNQCLSA-N 471.794 4.283 5 40 JIBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C\c2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 31261357 KJEBULYHNRNJTE-DIRLVWTMSA-N 492.528 4.276 5 40 JIBB Cc1sc2nc(-c3cccs3)nc(N3CCN(c4c([N+](=O)[O-])ncn4C)CC3)c2c1C 9337402 FSXOMOZNYKUDSB-UHFFFAOYSA-N 455.569 4.005 5 40 JIBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 14801548 GTIBPKWWGRYEAP-UHFFFAOYSA-N 493.317 4.436 5 40 JIBB Cc1ccc([N+](=O)[O-])c(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c1C 21393718 XQGMAPAYUCFCBU-UHFFFAOYSA-N 485.894 4.430 5 40 JIBB Cc1ccc(Cn2c(=O)n(Cc3ccc(C)cc3)c3cc([N+](=O)[O-])c(N4CCOCC4)cc32)cc1 59639049 VSOMLWMGZBUFAK-UHFFFAOYSA-N 472.545 4.261 5 40 JIBB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 409387312 PSGVOOUJCUSBKI-UHFFFAOYSA-N 465.466 4.418 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H](O)[C@@H]4CCCC[C@@H]43)c([N+](=O)[O-])c2)c(C)c1 1163968589 QULSSANTCPJCHP-RFWXGWTQSA-N 459.568 4.142 5 40 JIBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CCCC2 671971 HMFHWDPPZYRGLM-UHFFFAOYSA-N 454.508 4.209 5 40 JIBB CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2113019 KRBAVGGTTWGTMO-DHLKQENFSA-N 460.534 4.341 5 40 JIBB biogenic COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 3005718 IZNVLQHUXHJTHQ-HSZRJFAPSA-N 478.501 4.439 5 40 JIBB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3552014 YFQLVGCKFWQEHD-UHFFFAOYSA-N 494.481 4.192 5 40 JIBB CN1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 13396418 RROBHOHCAMWQME-FMLDBKJISA-N 489.915 4.387 5 40 JIBB Cc1ccc([N+](=O)[O-])c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1C 14269575 MSYCXDSCYSUNJM-UHFFFAOYSA-N 457.512 4.237 5 40 JIBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222636807 GDPVKYVKLVDZSM-CYBMUJFWSA-N 470.378 4.298 5 40 JIBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)o2)cc1 260911807 DEPHWWICOFVFKO-ZPMCFJSWSA-N 450.520 4.401 5 40 JIBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(F)F 409342150 ACXTXYXVVNKQJX-MFOYZWKCSA-N 464.402 4.124 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 409367571 ANUPFCFAGZGZGR-ZRDDSIGQSA-N 475.844 4.033 5 40 JIBB O=C(Nc1ccccc1[N+](=O)[O-])c1cc(S(=O)(=O)NCc2cccnc2)c(Cl)cc1Cl 8449255 ADMBMAAYKULCGL-UHFFFAOYSA-N 481.317 4.027 5 40 JIBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc([N+](=O)[O-])cc1 9062406 GXWJICRUXMFQHU-UHFFFAOYSA-N 474.389 4.058 5 40 JIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 14271941 IRRPWRHKIIWYLE-DUXPYHPUSA-N 461.774 4.306 5 40 JIBB COc1ccc(CNC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1OC 15700480 PJGGMTNCCDEFSU-UHFFFAOYSA-N 467.444 4.164 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CCN1CCN([C@H](C)c2nc3ccccc3s2)CC1 26262953 TZWLWOCLYCNPII-QGZVFWFLSA-N 453.568 4.220 5 40 JIBB O=C(Nc1ccc(OCCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCC1 225507111 NCWDCYYTJWGBOK-UHFFFAOYSA-N 453.539 4.146 5 40 JIBB Nc1c(Br)cc(C(=O)OCC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1Br 990674 KCPMPUZKIZZVIP-UHFFFAOYSA-N 492.507 4.395 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1Cc1cccs1 1876037 BEYDZVTUTKXCEK-QPPBQGQZSA-N 472.526 4.023 5 40 JIBB biogenic O=c1c2c3nc4ccccc4nc3n(-c3ccc(Br)cc3)c2ncn1C[C@H]1CCCO1 2249506 CKEHQZPYMBEQOJ-MRXNPFEDSA-N 476.334 4.225 5 40 JIBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@@H](O)c1ccccc1 8792129 GDRABFAOTRAMGK-CRICUBBOSA-N 477.520 4.209 5 40 JIBB biogenic O=C(CSc1nnc(SCC(=O)c2cc([N+](=O)[O-])cs2)s1)c1cc([N+](=O)[O-])cs1 12139032 ZZFOZLMNBYTPCO-UHFFFAOYSA-N 488.575 4.428 5 40 JIBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101076256 FCBMYJPMGQJIJY-TZIWHRDSSA-N 491.301 4.140 5 40 JIBB CC1(C)C[C@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O 101400968 AODBAAYJCSXDOF-QILUIRDISA-N 488.544 4.194 5 40 JIBB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 223360777 RHDVBXFWYOGHCZ-DLBZAZTESA-N 477.583 4.067 5 40 JIBB COC(=O)CN1C(=S)N(c2ccc(OC)cc2)C(=O)/C1=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1 409060423 VBFXMNQLTURJNJ-MOSHPQCFSA-N 493.497 4.011 5 40 JIBB COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4C)n3C)oc12 409351297 TWHIYPMWCMOKFC-UHFFFAOYSA-N 453.480 4.184 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)cc3)CC2)cc1 9192646 QSXJGBSXPLEUPK-UHFFFAOYSA-N 494.935 4.472 5 40 JIBB COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 12577177 GLZPNVUGSKAOCI-UHFFFAOYSA-N 451.464 4.091 5 40 JIBB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22746908 HHBJRYVCGXXVBH-UHFFFAOYSA-N 488.875 4.230 5 40 JIBB O=C(c1cccc2c(Cl)cccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 33664304 RIDCSFRQQPYYLE-UHFFFAOYSA-N 480.952 4.200 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 101188273 XXIMKWSBZNDJIM-SGNDLWITSA-N 473.485 4.435 5 40 JIBB Cc1c(N(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224862580 BQGZJYONMCPKMH-UHFFFAOYSA-N 457.552 4.100 5 40 JIBB COc1cc(OCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225648119 HWTLUFYMFWVAMX-AWEZNQCLSA-N 498.363 4.231 5 40 JIBB CCn1c(=O)n(CC)c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)c(Br)cc21 408527430 DLNFZHVSWFAASE-JXMROGBWSA-N 459.300 4.165 5 40 JIBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2254918 QIRDOMHXSQTOQG-GOSISDBHSA-N 459.937 4.484 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)CCCC5)c1 2398750 KTGPKCPIIZIPEH-UHFFFAOYSA-N 463.592 4.213 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1cccc(Oc2ccccc2)c1 9633625 DFLSWMFNXYLYMT-UHFFFAOYSA-N 456.476 4.200 5 40 JIBB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12559649 WERCTQFPNPUDOD-MRXNPFEDSA-N 474.848 4.477 5 40 JIBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)CC2)cc1 16291928 DZWJWYCJPXZFIL-UHFFFAOYSA-N 458.518 4.426 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])nnc1-c1ccc(Br)cc1 19927685 GDINMNUFPXDFNS-UHFFFAOYSA-N 492.355 4.375 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccccc1F 103001320 PBVNLEWAYKKARW-BGABXYSRSA-N 488.519 4.211 5 40 JIBB CCc1ccc(CC)c(CNC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 224685300 XHSKAPMWPSTMGO-UHFFFAOYSA-N 481.574 4.231 5 40 JIBB O=C(CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccccc1 793625 ICICZALSFFZDQA-UHFFFAOYSA-N 461.503 4.485 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 9907524 MUJYJRZUCMNFGB-UHFFFAOYSA-N 464.432 4.377 5 40 JIBB CC(C)CNc1cc(N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)ccc1[N+](=O)[O-] 9971869 CBCCBTGMUWWWHW-UHFFFAOYSA-N 468.579 4.327 5 40 JIBB CCOc1ccc([C@@H](c2nnnn2C(C)(C)CC)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504144 DZBAOTAYPGCWEI-QHCPKHFHSA-N 479.585 4.037 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13678797 LBJPGXPGLHXRTB-OAHLLOKOSA-N 486.377 4.391 5 40 JIBB O=C(Cc1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16401337 YSSLUCZYYKMXQM-UHFFFAOYSA-N 486.903 4.033 5 40 JIBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3)CC2)cc1 21124235 GXMXXGOXURNZSL-UHFFFAOYSA-N 488.544 4.137 5 40 JIBB CC(C)Oc1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 408631029 ZEPXFGSRQYSEQI-UHFFFAOYSA-N 469.519 4.216 5 40 JIBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408927342 ZOVBZGYCPMBSMQ-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB CCCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccc(N3CCOCC3)cc2c1=O 2976382 FXXLPHUSJSYKQP-UHFFFAOYSA-N 454.552 4.234 5 40 JIBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 6150663 MPGWYACQHUPLTP-OAHLLOKOSA-N 490.907 4.333 5 40 JIBB Cc1ccc(CN(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1 8782755 BJVPRPHHFIFNQG-UHFFFAOYSA-N 453.520 4.041 5 40 JIBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCc1ccccc1 9631485 AJZYFEFCDMJSSQ-UHFFFAOYSA-N 494.356 4.413 5 40 JIBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 72230002 SSMGOPYMLKPQPK-HSZRJFAPSA-N 467.909 4.419 5 40 JIBB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 12538010 RPMWHQXNVOGNQQ-UHFFFAOYSA-N 479.242 4.429 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Nc1cccc(Oc2cnccn2)c1 24658063 MVUTUURWZRHXPZ-UHFFFAOYSA-N 455.496 4.095 5 40 JIBB O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 65604552 QPRPZNWKIRQHSS-UHFFFAOYSA-N 492.502 4.232 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 106746426 SYUGHQYRWQAQNA-PXNMLYILSA-N 450.856 4.496 5 40 JIBB CC[C@@H](C(=O)N[C@H](CC)c1ccc2c(c1)CCCC2)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260915026 CFSPIUCJFNJELT-PKTZIBPZSA-N 473.595 4.286 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2cccc3ccccc23)n1C 408593550 BFMYNXDPYFABHR-UHFFFAOYSA-N 479.518 4.195 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408685180 OXTVSUZKEWOXDL-WZBLMQSHSA-N 488.327 4.490 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1 409330547 BHBRSIUTSXUCGM-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1Cc1ccco1 3372110 UKFPGBYCYIBMQE-UHFFFAOYSA-N 451.460 4.105 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cc(Cl)ccc1Cl 35104029 IYJGIIGEYCEPPF-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)Cc1ccccc1 35145132 LHOVJGNYOGJILV-UHFFFAOYSA-N 483.546 4.050 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2 48368589 VUWYQVMJLXOLKT-RUZDIDTESA-N 461.518 4.466 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 409054787 NWSYHUWDFCCDPS-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O1 585267692 USCALVPNXPYJBC-QHCPKHFHSA-N 486.933 4.303 5 40 JIBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1ccc(C(=O)c2ccccc2)cc1 3187553 HERSSRXCVSACSD-UHFFFAOYSA-N 493.522 4.367 5 40 JIBB CCOc1ccc(NC(=O)CCCCC(=O)Nc2ccc(OCC)cc2[N+](=O)[O-])c([N+](=O)[O-])c1 9090637 LKHDZDLQQYWLAT-UHFFFAOYSA-N 474.470 4.438 5 40 JIBB Cc1cc(C)c(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c(C)c1 9613394 XMFUCVFOWCNRGB-UHFFFAOYSA-N 465.959 4.213 5 40 JIBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCN(Cc3cn4cc(Cl)ccc4n3)CC2)CC1 62588274 WTDSCPMBDSYLLG-UHFFFAOYSA-N 496.999 4.090 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CCc2ccccc2)/c1=N\C(=O)C1CCCCC1 103629571 FHDYDTSRQXQXDW-ZXPTYKNPSA-N 498.583 4.076 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408686875 SNKMHSSPLQNFMW-HUUCEWRRSA-N 474.300 4.410 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408689855 ZGDBBSPXJTVLIO-JSNMRZPZSA-N 455.898 4.227 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)c(F)c1F 409358063 JZCDAQHROITUBZ-MLPAPPSSSA-N 471.800 4.341 5 40 JIBB CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc([N+](=O)[O-])cc2)N[C@@H]1c1ccc(OC)cc1 6545379 WOOQCINSCMLUDT-OAQYLSRUSA-N 469.519 4.057 5 40 JIBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Oc1ccc(S(=O)(=O)NCc2ccccn2)cc1 8857335 HFDLWZCQDYPJQV-UHFFFAOYSA-N 498.395 4.188 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(Br)cc12 15971183 UOZOMMXDBAROKH-CGYQNGNCSA-N 496.317 4.326 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ncccc4o3)c2)cc1[N+](=O)[O-] 16692998 ZUWTZOZGGKENKI-UHFFFAOYSA-N 493.501 4.338 5 40 JIBB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cccc1[N+](=O)[O-] 408533797 QTZLJXFZVLFXRA-IBGZPJMESA-N 453.520 4.096 5 40 JIBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9283266 PLFZEFYZQJAKHJ-UHFFFAOYSA-N 477.521 4.183 5 40 JIBB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9963092 UTRZJWHMKQMJTC-DLBZAZTESA-N 455.511 4.129 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 12604426 OZBHLRSCDSENGB-SFHVURJKSA-N 460.309 4.463 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 12643610 OBWPIDCPTCLBMO-UHFFFAOYSA-N 454.899 4.416 5 40 JIBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(Cl)cc12 13607623 DMTRXRCFCHCDJJ-QATBIIFWSA-N 462.893 4.019 5 40 JIBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@H](C)O1 26549423 TZMPAABYEPLJBL-OALUTQOASA-N 469.541 4.043 5 40 JIBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 57317045 JDVGOIJQJMKNJP-UHFFFAOYSA-N 486.322 4.384 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@H](C)Cn2ccnc2C)c([N+](=O)[O-])c1 58061385 HCXMFBFPIXUCRH-KRWDZBQOSA-N 457.556 4.063 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224972925 OZROGPCSKYLUOO-CQSZACIVSA-N 498.363 4.233 5 40 JIBB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nn12 408572561 KBDNYDWJWWPIDB-UHFFFAOYSA-N 463.523 4.312 5 40 JIBB Nn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cc(Cl)ccc1[N+](=O)[O-] 9561698 LVVIYIDUGDUGQA-UHFFFAOYSA-N 468.926 4.028 5 40 JIBB Cc1sc2nc(COC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)[nH]c(=O)c2c1C 9612709 DDYWCAZJDRBEBU-UHFFFAOYSA-N 456.524 4.103 5 40 JIBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2nc3ccccc3s2)CC1 17960281 ICMVEHKXJGXSOP-UHFFFAOYSA-N 466.519 4.299 5 40 JIBB O=C(Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2s1)c1ccco1 20411060 BKEZTSJIHUGEFL-UHFFFAOYSA-N 493.501 4.139 5 40 JIBB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12 20675943 XWFLNBXDDOZEQB-LEWJYISDSA-N 450.495 4.250 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409138160 ZFNLCIQYKSYHFJ-NRFANRHFSA-N 496.593 4.373 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 1892361 HVLCBQDVTRVCHD-ZJSXRUAMSA-N 472.526 4.023 5 40 JIBB biogenic CC(C)n1nc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc2c1=O 9493605 XFSHAPKRNKCBQA-GFCCVEGCSA-N 492.410 4.088 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)c([N+](=O)[O-])c1 9665772 UDUXUGRQNNADFI-UHFFFAOYSA-N 470.429 4.380 5 40 JIBB CC(=O)N1CCc2c(sc3nc(SCc4cccc([N+](=O)[O-])c4)n(Cc4ccco4)c(=O)c23)C1 12415149 JWTBLRKHPMCRCN-UHFFFAOYSA-N 496.570 4.204 5 40 JIBB O=C(CN(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1Cl 408640108 AILHBDSAIPDMGX-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB CCOc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@@H](C)C5)cc1 9292040 FULXVCMCYWIOSN-CYBMUJFWSA-N 493.618 4.241 5 40 JIBB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9335282 KJAJPHQUZKIECH-LBPRGKRZSA-N 457.826 4.278 5 40 JIBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c1 14831534 XOYLZLLXLFBDBJ-UHFFFAOYSA-N 465.875 4.022 5 40 JIBB CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cc([N+](=O)[O-])ccc3n2CC)cc1 100821202 MNKNGBLWDKTQAW-GHVJWSGMSA-N 490.607 4.183 5 40 JIBB CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 408622441 PGYOMVIXEIYINR-VUUXHMSQSA-N 472.884 4.388 5 40 JIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 9256438 FDAZXXGXWOFHDU-UHFFFAOYSA-N 465.959 4.085 5 40 JIBB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 15619345 QUANFFQEXRBEJA-UHFFFAOYSA-N 458.268 4.294 5 40 JIBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101076259 FCBMYJPMGQJIJY-PZJWPPBQSA-N 491.301 4.140 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408569796 XVPFJEJYAYAGTB-QOAWAWRESA-N 491.519 4.325 5 40 JIBB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 10810148 SJZADTWUDPCBMW-NSHDSACASA-N 470.835 4.467 5 40 JIBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 12361536 SIZCHKCWLOKWQT-LJQANCHMSA-N 452.319 4.497 5 40 JIBB Cc1cc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)ccc1[N+](=O)[O-] 12560540 WIZKWTVEYCGZDJ-UHFFFAOYSA-N 483.502 4.118 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 13576824 ATVUZALRHOXQDW-VWQFJMCTSA-N 496.445 4.384 5 40 JIBB Cc1ccc(NC(=O)[C@@H](OC(=O)CCc2nc(C(C)(C)C)no2)c2ccccc2)c([N+](=O)[O-])c1 32922193 ZAYLNTBZEYKDPJ-NRFANRHFSA-N 466.494 4.440 5 40 JIBB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1 102758723 ZNSABAHOLSKQRR-RJGXRXQPSA-N 459.458 4.045 5 40 JIBB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1OC 408583135 RUHFBTCFNBTXKJ-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB CN1CCCN(C(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)CC1 643588538 YKMHVZLMOUWUMN-XZOQPEGZSA-N 495.624 4.093 5 40 JIBB CC(C)[C@@H]1Cc2c(c(N3CCOCC3)nc3sc(-c4ccc([N+](=O)[O-])cc4)c(N)c23)CO1 9108687 FDXBVRDMXDKTLH-SFHVURJKSA-N 454.552 4.388 5 40 JIBB O=C1[C@@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101070631 GCJGOOWWYFJDCR-TZIWHRDSSA-N 491.301 4.140 5 40 JIBB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OC 225770550 SZBNWMCFNBBNGG-MRXNPFEDSA-N 456.495 4.246 5 40 JIBB CS(=O)(=O)N(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc([N+](=O)[O-])c1 409028177 IGLNZGZGOLBJPW-UHFFFAOYSA-N 483.590 4.467 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c([N+](=O)[O-])c1 409170473 UYBDNLDHMUGRRK-UHFFFAOYSA-N 468.322 4.437 5 40 JIBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1 409326350 ASRKWZSYZGXPJN-FPYGCLRLSA-N 489.238 4.216 5 40 JIBB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1cc(Cl)ccc1[N+](=O)[O-] 9958198 RJIBZLFTIWNCRL-UHFFFAOYSA-N 476.791 4.088 5 40 JIBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 14273591 HQYULAFOKPQZTD-UHFFFAOYSA-N 468.897 4.364 5 40 JIBB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 14276572 HZPCXLTXMVXQJM-NSHDSACASA-N 484.559 4.267 5 40 JIBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)c1 223329326 QPYFWRRQBXLGCE-BULFRSBZSA-N 450.520 4.401 5 40 JIBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225644195 NULUQMCYDAFWGM-QHCPKHFHSA-N 465.937 4.177 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 408563997 BWTWINCXQPKNCA-UWSFRGMNSA-N 463.921 4.487 5 40 JIBB CCOC(=O)C1CCN(C(=O)c2ccc3nc4c5ncccc5c5cccnc5c4nc3c2)CC1 409336894 QXMWVSQBYOQIMD-UHFFFAOYSA-N 465.513 4.295 5 40 JIBB COC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cccc([N+](=O)[O-])c4)ccc3c2=O)cc1 2378069 SHCCANPXVZUSKE-UHFFFAOYSA-N 461.382 4.499 5 40 JIBB biogenic Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 9059328 AOLNAAITBQQVRV-UHFFFAOYSA-N 467.429 4.052 5 40 JIBB COc1ccc(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)cc1NS(=O)(=O)c1ccc(F)cc1 9284460 UMCHISOOYPNIGB-UHFFFAOYSA-N 459.455 4.104 5 40 JIBB O=c1/c(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2nc(-c3cccc(Cl)c3)nn12 13748093 VLGZSKFCMHXIPO-WQRHYEAKSA-N 450.863 4.187 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408683667 LXRNYXIJZFECRF-IRXDYDNUSA-N 474.300 4.410 5 40 JIBB CCc1cccc(C)c1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 678502 POOIIYDUWJGYEF-QFIPXVFZSA-N 457.486 4.312 5 40 JIBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)cc1)C2=O 9007861 KJWBXIPROWQHIF-UHFFFAOYSA-N 495.447 4.292 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)N1CCC[C@@H](C)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 10541515 QICJPEIXAHLVMS-OAHLLOKOSA-N 495.985 4.019 5 40 JIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](c1ccccc1)N1CCN(c2ccccc2O)CC1 58158781 XQPADSAIBBLVEV-QHCPKHFHSA-N 466.925 4.456 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1cccc([N+](=O)[O-])c1 409129045 LQYDWUCRJWEJOF-RQZCQDPDSA-N 492.893 4.347 5 40 JIBB COc1cc(NC(=O)COC(=O)c2ccc(OCc3ccccc3)cc2)c(C)cc1[N+](=O)[O-] 9544842 CCBGFGNFHHLCRE-UHFFFAOYSA-N 450.447 4.286 5 40 JIBB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12586986 RXKLAROGSLBTPD-GASCZTMLSA-N 458.898 4.426 5 40 JIBB Cc1cc(C)cc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)c1 14412853 MOYSLARSYFONNS-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CCOC(=O)N1[C@H]2C(c3ccccc3)=NC(C)(C)N2[C@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC 90471321 UYISKVGFDIRBAZ-SFTDATJTSA-N 481.509 4.306 5 40 JIBB CS(=O)(=O)Nc1cccc(C2=NN3[C@H](c4cccc([N+](=O)[O-])c4)Oc4ccccc4[C@H]3C2)c1 102415869 WUQTVPXIKHLBIZ-GGAORHGYSA-N 464.503 4.209 5 40 JIBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565027 HGIUPFAJCGLGKP-FESMNKHTSA-N 473.529 4.105 5 40 JIBB COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(F)cc2)c([N+](=O)[O-])cc1OC 2157827 AXZRCOAETXWXBU-UNOMPAQXSA-N 465.437 4.161 5 40 JIBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 8836471 VMAKDOKAUQHRKO-UHFFFAOYSA-N 470.401 4.240 5 40 JIBB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9467947 FSJVAUUWNGBPOI-HXUWFJFHSA-N 469.544 4.363 5 40 JIBB COc1cc(NC(=O)COC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)c(C)cc1[N+](=O)[O-] 9544959 PYXSMYYHUWIIFT-LLVKDONJSA-N 457.266 4.168 5 40 JIBB Cc1nc2ccc(NC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)cc2s1 9662551 UBXAHGKZKVABEE-UHFFFAOYSA-N 494.982 4.206 5 40 JIBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1 12602728 PUOUVBWWNRZKPM-BETUJISGSA-N 465.428 4.290 5 40 JIBB C[C@H](OC(=O)c1ccccc1I)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12898360 DFZNYZZSTQNPEF-JTQLQIEISA-N 465.203 4.167 5 40 JIBB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 13856668 JNJLALYZCGUNOZ-SFHVURJKSA-N 490.468 4.175 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225211831 QVZJXPHWOJOFMG-DLBZAZTESA-N 461.559 4.299 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408688885 XATLHNUNSDUVFQ-OALUTQOASA-N 453.882 4.147 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 409147936 WUUNLJITFHCNIA-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409147955 XCQCNBPDORROQT-FQEVSTJZSA-N 496.593 4.198 5 40 JIBB O=C(CSc1nc(-c2ccc([N+](=O)[O-])cc2)c[nH]1)Nc1ccc(N2CCOCC2)c(Cl)c1 1443697 POWJXKQFJIWUKY-UHFFFAOYSA-N 473.942 4.206 5 40 JIBB CC(C)Oc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 4125330 CBLJVLLLLOGNAQ-UHFFFAOYSA-N 452.555 4.335 5 40 JIBB Cc1cc(NC(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)c([N+](=O)[O-])cc1C 21763309 SCOXMRUMBUVVBA-UHFFFAOYSA-N 480.443 4.024 5 40 JIBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NCC(C)C 224113467 ZTDVFKBBCQMPDD-IBGZPJMESA-N 457.596 4.326 5 40 JIBB CCC1(CC)C[C@@H](NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 260759770 DTQIKUDXYCPBSH-FXAWDEMLSA-N 489.594 4.257 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)c(Cl)c3)CC2)c([N+](=O)[O-])c1 408571422 AVSWXVIQFTZYCV-UHFFFAOYSA-N 452.294 4.041 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)c(OC)c(Cl)c3)CC2)c([N+](=O)[O-])c1 408574438 QPSSQMVBTWYGFZ-UHFFFAOYSA-N 482.320 4.049 5 40 JIBB CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(I)c1OCC 409372775 NFZILGHHRJEGMI-UHFFFAOYSA-N 499.257 4.037 5 40 JIBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)Nc2ccccc2[N+](=O)[O-])ccc1C 9283125 VEIQXLMJIPCAHD-UHFFFAOYSA-N 456.480 4.357 5 40 JIBB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)CC2)c2ccccc12 12794955 FQVAJWVDNSWMRE-UHFFFAOYSA-N 451.454 4.387 5 40 JIBB COc1ccccc1Oc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 13856796 IRRSPQMGGZJCPS-SFHVURJKSA-N 490.468 4.175 5 40 JIBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-] 14269675 YHJMUWMNZKBUFS-UHFFFAOYSA-N 458.721 4.455 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] 409042558 NHPPQZMLCLFEDF-QULSYZCUSA-N 482.492 4.265 5 40 JIBB O=C(CSc1nc2ccc(Br)cc2c2nc3ccccc3n12)NC[C@@H]1CCCO1 9434239 WCDOFAADUIURAT-AWEZNQCLSA-N 471.380 4.186 5 40 JIBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(S(=O)(=O)N2CCCCC2)cc1 9633985 QJOLLSCJVGFLPF-UHFFFAOYSA-N 498.513 4.069 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)CC2)cc1 40718088 PTHOHJWVSINDHW-UHFFFAOYSA-N 494.935 4.472 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1Cc1ccccc1 101231628 PXLWIKFINSBTIF-BDTNDASRSA-N 463.877 4.295 5 40 JIBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(F)cc1Cl 106734287 ZLGQRBSQMRGGHQ-GRSHGNNSSA-N 477.901 4.460 5 40 JIBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224727363 PJHNJXFUKVVWNM-IBGZPJMESA-N 483.565 4.157 5 40 JIBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)O)o1 408633673 OLHJNRPQIKLHIR-BNCCVWRVSA-N 477.838 4.253 5 40 JIBB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)c(Br)cc1OCc1ccc([N+](=O)[O-])cc1 409234257 JPPKNJSYPAABLS-RQZCQDPDSA-N 490.310 4.248 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc([N+](=O)[O-])c1O 409356825 HQHUQPPNCPBCJV-IUXPMGMMSA-N 491.909 4.336 5 40 JIBB CCCn1c(/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12602644 QAXIVXRWKSTTKE-RGEXLXHISA-N 490.969 4.112 5 40 JIBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1S(=O)(=O)Nc1cccc(Cl)c1 12625686 AXVVUQQDASMHNP-UHFFFAOYSA-N 495.966 4.467 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 223509581 ZHNPHUSELYTIMZ-XZOQPEGZSA-N 456.531 4.348 5 40 JIBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223980314 FGNDNTBZGOACRH-VWLOTQADSA-N 459.546 4.304 5 40 JIBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)Nc2ccc(Oc3ccccc3)cc2)c1 408664825 PKPMZAJRMWMJBL-UHFFFAOYSA-N 493.472 4.296 5 40 JIBB O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@@H]1c1cccc([N+](=O)[O-])c1 713731 ZRVZENMNDNJDNQ-GOSISDBHSA-N 461.293 4.352 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCC1 2118114 SCVTZUZOYRKTOU-DHLKQENFSA-N 458.518 4.094 5 40 JIBB biogenic Cc1ccc(Nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[N+](=O)[O-])cc1 9319748 IPSJKJJQKLVSFV-UHFFFAOYSA-N 493.545 4.245 5 40 JIBB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@H]2C1=O 9356704 WGZWDBGGJLQTEJ-ZLNRFVROSA-N 459.458 4.045 5 40 JIBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 27017109 DRVKBRTUGRJHJF-HXUWFJFHSA-N 464.865 4.245 5 40 JIBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)ccc1OCC(=O)OC(C)C 408599884 NRHVIMKDQNOYKH-JAIQZWGSSA-N 486.502 4.170 5 40 JIBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1)Nc1ccccc1Cl 876184 NHWYZSMZHRWVIA-MRXNPFEDSA-N 473.942 4.417 5 40 JIBB CCOc1ccccc1OCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 2654223 UHZNBMYUJLORTD-UHFFFAOYSA-N 491.547 4.081 5 40 JIBB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 9730468 LUSOHETZWKCKCZ-NRFANRHFSA-N 452.474 4.371 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccn(Cc2c(F)cccc2Cl)c1=O 10187773 GZLUDAOXHXPGGM-UHFFFAOYSA-N 458.858 4.459 5 40 JIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16383980 XJZOGARRBZTSMH-FNORWQNLSA-N 451.266 4.172 5 40 JIBB COc1cc(CN(C(=O)c2cc([N+](=O)[O-])ccc2Cl)C2CCCCC2)ccc1OCC(N)=O 22712101 KIDFDQBYRJXSQX-UHFFFAOYSA-N 475.929 4.096 5 40 JIBB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1C 27020050 BZABXNKALPAZPU-QFIPXVFZSA-N 458.474 4.208 5 40 JIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1 57243088 AEGBBIGQSHZHFT-UHFFFAOYSA-N 464.497 4.074 5 40 JIBB Cc1ccc(CNC(=O)c2cc3c(=O)n4ccccc4nc3n(Cc3ccccc3Cl)c2=N)cc1 101155792 VXRYQMLVRPXNCA-UHFFFAOYSA-N 483.959 4.069 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224397112 WATRDIMDBFOOOU-GOSISDBHSA-N 452.338 4.388 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408677992 CKVDSPFUSQUQMX-RTBURBONSA-N 453.882 4.147 5 40 JIBB Cc1cccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1C 409176215 YTOLQVAIEFUBBC-FQEVSTJZSA-N 482.566 4.188 5 40 JIBB CCOC(=O)N1CCN(C(=S)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 409336672 VBBFIXKUZZWPAI-UHFFFAOYSA-N 497.584 4.350 5 40 JIBB O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1ccc([N+](=O)[O-])cc1 9354617 KKDRLGDIPFDYLP-UHFFFAOYSA-N 473.485 4.191 5 40 JIBB O=C(CSc1nc2ccc(Br)cc2c2nc3ccccc3n12)NC[C@H]1CCCO1 9434240 WCDOFAADUIURAT-CQSZACIVSA-N 471.380 4.186 5 40 JIBB O=c1c(Cl)c(N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cnn1C12CC3CC(CC(C3)C1)C2 9891897 LCANOFXMITUJST-UHFFFAOYSA-N 469.973 4.057 5 40 JIBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12947828 LOAAFNPGWIKLAX-HOTGVXAUSA-N 484.944 4.004 5 40 JIBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])C1 15910540 PUAQUOYMLDSAKT-HUUCEWRRSA-N 477.464 4.474 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-] 15945353 OVKIGWJWZJTXOL-CAZKKTPXSA-N 475.844 4.033 5 40 JIBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc2ccccc12 16526241 LDOIOCXRQAIVGX-UHFFFAOYSA-N 454.939 4.238 5 40 JIBB COc1ccc2c(c1)[C@@]1(C(=O)N2)[C@H](C(=O)c2cccs2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 217735693 KWFYSNJTTGOGSJ-GQOCTPOGSA-N 463.515 4.041 5 40 JIBB O=Cc1cc(Br)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1 408849355 ZOVMKGNGHDYCKC-UHFFFAOYSA-N 462.037 4.353 5 40 JIBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)OCC(C)C)C3=O)o2)c([N+](=O)[O-])c1 409202460 QWKUJTXVVYNEEL-GIJQJNRQSA-N 460.464 4.099 5 40 JIBB CC[C@H](c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1 2730153 TUSRQVSHDZIVAZ-OAHLLOKOSA-N 462.898 4.423 5 40 JIBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223648704 KKGHBMCXSZWCCU-NRFANRHFSA-N 471.554 4.014 5 40 JIBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408564861 GCXUDFRNJHDVJD-YLORPAJWSA-N 493.947 4.450 5 40 JIBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408568984 VNRZVZIGADVURK-HSWHJCFASA-N 485.540 4.329 5 40 JIBB Cc1csc(Sc2ccc(C(=O)OCC(=O)NCc3ccc(F)cc3)cc2[N+](=O)[O-])n1 3298290 FEEVNADZANUOGL-UHFFFAOYSA-N 461.496 4.123 5 40 JIBB O=C(Cn1c(=O)c(=O)n(Cc2ccccc2)c2ccc(Cl)cc21)Nc1cc([N+](=O)[O-])ccc1Cl 3376249 OXNIPGYHRCZNMN-UHFFFAOYSA-N 499.310 4.065 5 40 JIBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)CC2)cccc1[N+](=O)[O-] 10692752 YBXXDVZPLULDHG-UHFFFAOYSA-N 486.377 4.391 5 40 JIBB CN1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@@]2(COc3ccccc3C2=O)[C@@]12C(=O)Nc1ccccc12 13396421 RROBHOHCAMWQME-IAIFEWERSA-N 489.915 4.387 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13804744 BZSCIBJFJDDIMP-NJDAHSKKSA-N 494.847 4.208 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408570083 YPLAPUSNCQBVQH-OGZQIAKDSA-N 473.529 4.233 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3c(c2)OCO3)ccc1Cl 12659840 ALJFLDMNLZCTIE-UHFFFAOYSA-N 499.892 4.465 5 40 JIBB Cc1onc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)c(Cl)c3)n2)c1Cn1cc([N+](=O)[O-])cn1 13961277 NICZVBLMSHZGOW-UHFFFAOYSA-N 490.307 4.248 5 40 JIBB Cc1ccc(-c2ccc(C(=O)NC(=S)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)o2)cc1C 33752308 FBHPRENUQKQGEI-UHFFFAOYSA-N 464.547 4.309 5 40 JIBB CCCCCCOc1ccc(N2C(=O)C[C@H](N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)C2=O)cc1 96562015 CMYKEDLFBFTCGH-DEOSSOPVSA-N 480.565 4.008 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1C=Cc3ccccc3[C@@H]21 103989922 AQFFXOYAXIQCIY-NDBXHCKUSA-N 479.492 4.302 5 40 JIBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 225512621 DOUPAKTUYZAKNA-DQEYMECFSA-N 498.568 4.392 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408687711 UUIIJCMMYLZQOT-DJKXOVBDSA-N 453.882 4.003 5 40 JIBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 408884886 VWQSUALBMUTQCR-PXNMLYILSA-N 481.408 4.297 5 40 JIBB COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O 409333760 VPCFXMAXTJQRKC-VCHYOVAHSA-N 471.491 4.107 5 40 JIBB O=[N+]([O-])c1ccc(CN(Cc2ccccc2Cl)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 3346280 WLFNFETZYJJMPY-UHFFFAOYSA-N 474.922 4.411 5 40 JIBB CC1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCc4ccc([N+](=O)[O-])cc4)n32)CO1 9292402 YFOLDFXOMUNVPY-UHFFFAOYSA-N 467.536 4.039 5 40 JIBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)/C=C/c1ccco1)CC2 11726269 AHGNECGJUNRNEL-CZQLGGELSA-N 464.474 4.423 5 40 JIBB O=C(C1CCN(c2ccc(S(=O)(=O)Nc3ccccc3)cc2[N+](=O)[O-])CC1)N1CCCCCC1 12557213 IMJMBFGUZVHLAB-UHFFFAOYSA-N 486.594 4.015 5 40 JIBB CCCCCn1/c(=N/C(=O)c2c(F)cccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 102920753 MDHKTGPLMXWTQR-JJKYIXSRSA-N 494.498 4.035 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]21 408688011 VMLZSNSHXCUZKD-WNYOCNMUSA-N 453.882 4.003 5 40 JIBB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 3321770 XYSIAIFCWBFHBD-UHFFFAOYSA-N 459.842 4.228 5 40 JIBB Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5ccc([N+](=O)[O-])cc5)ccc4n3C)CC2)cc1 9110233 QQTFFPLSOBVRDZ-UHFFFAOYSA-N 498.587 4.407 5 40 JIBB O=C1Nc2cc(Cl)ccc2S[C@H]1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12562749 NZXFXWYIWULSJH-SFHVURJKSA-N 481.361 4.053 5 40 JIBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)Nc1ccc(Oc2ccccc2Cl)cc1 12794155 ZYMCPOAWJSWGCV-UHFFFAOYSA-N 451.822 4.275 5 40 JIBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 13946241 PAAQJAJCPGSELS-UHFFFAOYSA-N 486.853 4.367 5 40 JIBB O=C(CCS(=O)(=O)c1ccc(Cl)cc1)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 15391492 AUKMDGAXWHBNBU-UHFFFAOYSA-N 451.913 4.174 5 40 JIBB CC1=C(C(=O)NCc2ccccc2)C(c2ccc([N+](=O)[O-])cc2)C(C(=O)NCc2ccccc2)=C(C)N1 20806619 CMTOKSOROIDCMJ-UHFFFAOYSA-N 496.567 4.462 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224972968 OZROGPCSKYLUOO-AWEZNQCLSA-N 498.363 4.233 5 40 JIBB CCOC(=O)N1CCN(C(=S)Nc2ccc3sc4nc5ccccc5nc4c3c2)CC1 409332290 CXZZGJRFNXBIBI-UHFFFAOYSA-N 451.577 4.469 5 40 JIBB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)n1C 409346517 OSGZBIXUHVBPDX-UHFFFAOYSA-N 471.539 4.049 5 40 JIBB O=C(NC(=S)Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8833030 MZSKQTUWMYIWJW-UHFFFAOYSA-N 488.875 4.230 5 40 JIBB Cc1c(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cccc1[N+](=O)[O-] 8896602 KVALNSUHEUAJCE-GFCCVEGCSA-N 474.608 4.341 5 40 JIBB CCOc1cc(-c2nnc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)o2)cc(OCC)c1OCC 9274853 MMXKVUJTLTYLRR-UHFFFAOYSA-N 487.425 4.001 5 40 JIBB O=C(N[C@H](OC[C@@H]1CCCN2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 16041246 CYCWZGBHULTEAA-QILLFSRXSA-N 464.777 4.302 5 40 JIBB biogenic CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 8904399 UNYKGLQEHXUMFL-UHFFFAOYSA-N 465.337 4.459 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(CCCC(C)C)C2=O)[C@H]1CCC 17016804 BJPAWWLVUIONIF-BWKNWUBXSA-N 472.586 4.427 5 40 JIBB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(OC)c([N+](=O)[O-])c3)cc2s1 22709420 AYZXBNYVKLILGO-UHFFFAOYSA-N 473.536 4.079 5 40 JIBB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57607681 KLPAARSZYQPMFQ-MRXNPFEDSA-N 453.930 4.254 5 40 JIBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225556125 WSLJYVHSAOLFAR-MRXNPFEDSA-N 463.987 4.423 5 40 JIBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225596356 CSTMATUCAHGOOX-CQSZACIVSA-N 452.338 4.386 5 40 JIBB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409182591 NBHKETVFIIPXDE-VWLOTQADSA-N 462.458 4.490 5 40 JIBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409192911 FYNCLBPELWUMBW-UNOMPAQXSA-N 489.396 4.075 5 40 JIBB Cc1cc([N+](=O)[O-])nn1C[C@@H](C)c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1 2732685 BFGIFBSYLZTFQF-GFCCVEGCSA-N 458.935 4.397 5 40 JIBB COc1ccccc1CNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 8826046 ASYRSQJVUSKXNC-UHFFFAOYSA-N 478.530 4.359 5 40 JIBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)Nc1cc(Cl)ccc1Oc1ccccc1 9986234 LGQAFKWVXXCAHM-UHFFFAOYSA-N 450.838 4.389 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1NCCc1nccn1Cc1ccccc1 12559024 LZVYZQVOEFGTDS-UHFFFAOYSA-N 483.594 4.059 5 40 JIBB CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 14273531 WGXKDRIAWGGYKB-XVNBXDOJSA-N 463.321 4.222 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16038139 ZOCSCFCHXRISLO-KEZOAJOQSA-N 483.455 4.132 5 40 JIBB COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 20796447 RKAWLHIVIJXROM-HNNXBMFYSA-N 461.503 4.246 5 40 JIBB O=C(c1cc(Cl)cc(Cl)c1)N1CCN(C(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)CC1 25008534 UHZVXRDRFTVENV-UHFFFAOYSA-N 477.348 4.100 5 40 JIBB O=C(COC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1cccc([N+](=O)[O-])c1 100553188 SBHRSHATVUVXFM-UHFFFAOYSA-N 467.346 4.243 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223207367 AFDAYVFVKDNXSN-CVEARBPZSA-N 476.371 4.232 5 40 JIBB CC[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 223789099 YSCZBPJNRYEIEK-HSZRJFAPSA-N 497.573 4.375 5 40 JIBB Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c(C)c1 409154403 AFUFLRKPNZYWJB-FQEVSTJZSA-N 482.566 4.188 5 40 JIBB 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CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC[C@H](C)C[C@H]2C1=O 408643216 FUZQBLBHVNVCAZ-JJCGOBCMSA-N 477.517 4.035 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 409367860 MUFCBTAGHALVTH-PGAZUGQPSA-N 454.482 4.260 5 40 JIBB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c2C)cc1 9120464 PJLGSOQRKJJIGS-OUKQBFOZSA-N 459.550 4.127 5 40 JIBB COc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c([N+](=O)[O-])c1 9666582 WUGTVCCWZWGLIJ-UHFFFAOYSA-N 476.514 4.092 5 40 JIBB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1OCc1cccc([N+](=O)[O-])c1 9908230 MLRGLJAUGIMGME-LICLKQGHSA-N 490.310 4.248 5 40 JIBB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@](=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1 11726340 KVGGTCPECZGEGI-LJAQVGFWSA-N 451.291 4.102 5 40 JIBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5cccc([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)cc1 167527090 FNJODAQYBAIVOZ-GTWFGUSFSA-N 495.560 4.236 5 40 JIBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 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COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408917721 AKFQTWGSWRHWPL-YCIYHOANSA-N 460.873 4.351 5 40 JIBB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccc([N+](=O)[O-])cc1 8923024 BMROZPOOCIANRR-XMMPIXPASA-N 450.878 4.298 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc3c(c2)CCC3)c1 9378540 MWMDKFKEKSTATP-UHFFFAOYSA-N 467.503 4.145 5 40 JIBB COc1cc(CN(C(=O)c2ccc([N+](=O)[O-])cc2Cl)C2CCCCC2)ccc1OCC(N)=O 22712109 FPBCDNTVMOROSD-UHFFFAOYSA-N 475.929 4.096 5 40 JIBB COc1ccc(C(=O)NCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1[N+](=O)[O-] 25057017 NQIBDPSFCVNLGY-UHFFFAOYSA-N 488.953 4.003 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(Cl)c(Cl)c1 107773240 VNPQGTRGSZDIEF-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225497586 WORQLTFDRWYZAP-XMMPIXPASA-N 477.586 4.214 5 40 JIBB O=C(CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 408665710 WERDXQWVLJAUFG-UHFFFAOYSA-N 463.446 4.288 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)c1 408939701 TZOCWWQJBPSILY-CHHVJCJISA-N 492.307 4.046 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4ccc(C)c([N+](=O)[O-])c4)o3)C2=O)c1 409090892 RDZJIDKCYNPHQG-XDHOZWIPSA-N 460.446 4.003 5 40 JIBB COc1ccc(C(=O)OCc2nc3ccccc3c3ccccc23)cc1S(=O)(=O)NC1CC1 9244655 AQOZOVHNPDYUKM-UHFFFAOYSA-N 462.527 4.194 5 40 JIBB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)s1 9403861 IIAXBBINOAGADE-UHFFFAOYSA-N 461.525 4.328 5 40 JIBB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC 9434089 LIANYTCJTSODOS-QFIPXVFZSA-N 481.530 4.460 5 40 JIBB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9666672 NLMFMBRJEVUNBS-UHFFFAOYSA-N 453.842 4.208 5 40 JIBB O=C(c1cc(F)c(F)cc1Cl)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9720432 UBBWEEYHBKBEDS-UHFFFAOYSA-N 494.760 4.416 5 40 JIBB CC(C)[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 12523198 GGGGEEHPLKIQDE-HSZRJFAPSA-N 475.567 4.350 5 40 JIBB O=C(c1ccc(F)cc1)N1CCCc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc21 20766899 ILJIOSIUZURCEI-UHFFFAOYSA-N 455.467 4.128 5 40 JIBB Cc1cc(C(=O)Nc2cc(S(=O)(=O)N3CCCCC3)ccc2OC(C)C)ccc1[N+](=O)[O-] 89591361 IPDDYTSOPVFZBW-UHFFFAOYSA-N 461.540 4.117 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224814341 XFJJOLBZGNIRHR-MRXNPFEDSA-N 463.987 4.425 5 40 JIBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)N1CCN(c2ccccc2)CC1 408602738 DKOBKFKBPXDNPL-ZRDIBKRKSA-N 492.532 4.188 5 40 JIBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] 408669865 PCSDQPMBYDMQOY-SFHVURJKSA-N 489.484 4.230 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 408684471 NMKNOJSDTUDBFJ-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB Cc1c(Cl)cccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 409023735 DSFBQFVOQTVFQF-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 409346982 PEZHPDJTBKTGHN-YBFXNURJSA-N 455.492 4.402 5 40 JIBB O=C(CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)NC1CCCCC1 2968963 LEYIFHDHNQRBSO-UHFFFAOYSA-N 462.535 4.394 5 40 JIBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 8991965 ZKMORYMJOIVSAK-ZRFNAWPJSA-N 458.470 4.124 5 40 JIBB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1)N1CCc2cc([N+](=O)[O-])ccc21 9726733 LWZMORZJOFPRNU-UHFFFAOYSA-N 483.933 4.203 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCC1 15955773 SCVTZUZOYRKTOU-RCZVLFRGSA-N 458.518 4.094 5 40 JIBB biogenic Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)cc1 20131334 OWGVCJCUKNFNLY-NDBXHCKUSA-N 479.492 4.302 5 40 JIBB CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 102674698 CVXWMHDLWIHNJH-HNVPCBRESA-N 482.533 4.250 5 40 JIBB COc1cccc(C(=O)C[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1 408687155 SYCNBXAMSPNYJR-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB COc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 409314895 SYRLOXVVPYXFJR-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(=O)n(Cc2c(F)cccc2Cl)c1 10187876 IZHIKRYEUBVGKR-UHFFFAOYSA-N 458.858 4.459 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1cc(Cl)ccc1Cl 14273786 YKAWCWZHFGJHSX-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 14361493 YMZJKJIYIRTHGX-SSDOTTSWSA-N 451.151 4.153 5 40 JIBB Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc34)c2)cc1[N+](=O)[O-] 16157872 CLQXNGRJDZDMGQ-UHFFFAOYSA-N 485.452 4.037 5 40 JIBB CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 18094695 AHXTTYHNYHBQPO-UHFFFAOYSA-N 476.489 4.210 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 408547660 KSRJLUCDBMGJCY-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB COc1ccc(C(=O)N[C@@H](c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 9327817 RCBUTAIIVGGQQF-LJQANCHMSA-N 455.540 4.151 5 40 JIBB CC[C@@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)c4ccccc4)n32)CO1 9345330 NXJYGQTYHOSHRS-QFIPXVFZSA-N 464.576 4.203 5 40 JIBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccc(Cl)cn2)n1 9465179 HMXJPRRKDGTJJA-UHFFFAOYSA-N 464.912 4.355 5 40 JIBB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1noc(C)c1Cn1cc([N+](=O)[O-])cn1 22745863 XLIWKPXJXHSAEU-UHFFFAOYSA-N 487.879 4.042 5 40 JIBB Cc1ccc(N2N=C([N+](=O)[O-])[C@@H](c3cccc([N+](=O)[O-])c3)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 33353879 IUMHCTKTFYOQKJ-NHCUHLMSSA-N 462.422 4.251 5 40 JIBB COc1cccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1 59678109 IASRDLGKMQWDTD-RISWYLRJSA-N 495.560 4.236 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 224858343 OPTPLSIMVNGQGH-UHFFFAOYSA-N 495.435 4.327 5 40 JIBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2cc(C)ccc2OC)cc1 408590092 JCOFHUFMBMFBPB-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O 408639611 GFWAQMXMYZVCNJ-NSHDSACASA-N 482.718 4.319 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 409367857 MUFCBTAGHALVTH-AYIBLLACSA-N 454.482 4.260 5 40 JIBB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424273 LCNMWCOTRASDRZ-UHFFFAOYSA-N 457.439 4.395 5 40 JIBB CCOC(=O)c1ccc(Nc2ncnc(Nc3ccc(C(=O)OCC)cc3)c2[N+](=O)[O-])cc1 16687878 XDNWYGIHHVIXTG-UHFFFAOYSA-N 451.439 4.225 5 40 JIBB COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)c1 19928929 YBGKGCDPQBTNEB-UHFFFAOYSA-N 484.321 4.435 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc(NC(=O)C2CC2)s1 22240959 YWLKOZGQPOUPMD-UHFFFAOYSA-N 471.516 4.090 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 108083375 DWXLAMZXSYZUGF-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCN(C)C)o1 223247132 HVQRACKTPYZDPI-PKTZIBPZSA-N 481.578 4.183 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247359538 YZFQNJXDLGMXEG-LWSSLDFYSA-N 471.513 4.121 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccccc1)N1C=Cc3ccccc3[C@@H]21 248074405 AQFFXOYAXIQCIY-FQUZAXHOSA-N 479.492 4.302 5 40 JIBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)cc21 408526803 CKVIBOGRQBVQAJ-IDUWFGFVSA-N 493.328 4.329 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409136651 SMEAETXKSKRUBJ-HXUWFJFHSA-N 482.566 4.064 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)Nc1ccc2c(c1)OCO2 409153514 LIOFQORJJVUTLS-KEBDBYFISA-N 493.453 4.259 5 40 JIBB Cc1ccc2nc(COC(=O)c3cc([N+](=O)[O-])ccc3Sc3nc(C)cs3)cc(=O)n2c1 10021239 CIHQCZFRUFTCAT-UHFFFAOYSA-N 468.516 4.184 5 40 JIBB Cc1cccc(/C=C(/C(=O)N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2cccs2)c1 12858308 RBBZDEILHUAXGV-OQKWZONESA-N 497.598 4.038 5 40 JIBB CCOc1ccc(C2=N/C(=C\c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)C(=O)O2)cc1OCC 15978331 JZOQNZWVYHTRCM-YBEGLDIGSA-N 495.517 4.016 5 40 JIBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225720827 BSLJJHZTFUJEBI-QFIPXVFZSA-N 457.596 4.468 5 40 JIBB O=C(Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1cc([N+](=O)[O-])nn1Cc1ccccc1 672780 VKWAEOKHILHVPG-UHFFFAOYSA-N 458.352 4.217 5 40 JIBB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2s1 22564310 MVCCSKIQCRAGAR-UHFFFAOYSA-N 457.537 4.378 5 40 JIBB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1noc(C)c1Cn1nc(C)c([N+](=O)[O-])c1C 22718329 NWDWTBGJFVCSEQ-UHFFFAOYSA-N 481.488 4.006 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 408575366 UOVVEOOEPAZRLA-UHFFFAOYSA-N 459.502 4.401 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]12 408684244 NCTCPQNBDATIKO-LXGCGDOSSA-N 453.882 4.003 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408689684 YVBWHLPROFKWAK-WZBLMQSHSA-N 486.311 4.266 5 40 JIBB Cc1cc(C(=O)COC(=O)CNC(=O)c2cccc([N+](=O)[O-])c2)c(C)n1CCc1ccc(Cl)cc1 3408444 LPHSEULJRCJDLD-UHFFFAOYSA-N 497.935 4.065 5 40 JIBB Cc1c(NS(=O)(=O)c2ccc(Nc3ccc(F)cc3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9220125 NHNIIQSOQRJGED-UHFFFAOYSA-N 497.508 4.076 5 40 JIBB CCOc1cc(/C=c2/sc3nc4ccccc4n3c2=O)ccc1OCc1cccc([N+](=O)[O-])c1 35174122 LRGNXJUZLSZDPR-OEAKJJBVSA-N 473.510 4.343 5 40 JIBB CCCn1/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820823 FQURGBKMCXQONP-KRUMMXJUSA-N 486.572 4.275 5 40 JIBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccccc1Cl 106683517 VGRXRZGBVFZJPF-UNOMPAQXSA-N 459.911 4.321 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686018 QYHWKFMHXZUJPZ-UAOJZALGSA-N 455.898 4.227 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 409361619 QSGPELVQDDOCDL-CAOOACKPSA-N 461.883 4.240 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1cccc(C(F)(F)F)c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409367748 KJZCQJOFNOGDOG-YQORSWRPSA-N 464.399 4.490 5 40 JIBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@H]1Cc2ccccc2CN1S(=O)(=O)/C=C/c1ccccc1 3307718 GVXLPNNDALWLSY-DKUDOZJNSA-N 478.526 4.066 5 40 JIBB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 8896595 HITPCSSKRBNUPP-CYBMUJFWSA-N 474.608 4.341 5 40 JIBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8902499 ZLVYPCSTGKUODL-JXMROGBWSA-N 464.434 4.252 5 40 JIBB O=C(Cc1csc(-c2ccccc2)n1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9884183 HPJJUTWPLNPIEJ-UHFFFAOYSA-N 486.556 4.189 5 40 JIBB COc1cc2c(=O)[nH]c3c(C(=O)OC4CCCCC4)c4nc5ccccc5nc4n3c2cc1OC 11692063 OUHUCTZPKDNMAT-UHFFFAOYSA-N 472.501 4.384 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]12 408689801 ZDHRMBZUEHERNG-WIBUTAKZSA-N 453.882 4.003 5 40 JIBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 408905988 BVDOWJUURQJQGX-UHFFFAOYSA-N 491.909 4.319 5 40 JIBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cccc(I)c1 1435298 RLJJRTOADYVGEK-AUWJEWJLSA-N 454.607 4.197 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Br)cc1 1506422 AIFWCTYASACFRM-ZRDDSIGQSA-N 475.298 4.234 5 40 JIBB Cc1cc(NC(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)no1 9439671 SOIJKLWHRKZHDQ-UHFFFAOYSA-N 498.439 4.052 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccncc1 9646175 OXKWFWYTEUUAIS-UHFFFAOYSA-N 452.418 4.018 5 40 JIBB O=C(CCCS(=O)(=O)c1ccccc1)N(Cc1ccccn1)c1nc2ccc([N+](=O)[O-])cc2s1 10218436 RSOVVDJCFFWNIK-UHFFFAOYSA-N 496.570 4.387 5 40 JIBB COc1ccc(Cl)c2sc(N3CCN(C(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)nc12 12345111 KUOWUKXFGBUIHN-UHFFFAOYSA-N 467.334 4.482 5 40 JIBB CCCCOc1ccc(C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1OC 13108880 ZXUJHWTZNYGBTN-UHFFFAOYSA-N 491.547 4.324 5 40 JIBB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 898369 DCXQVOGCPZIUCY-QFBILLFUSA-N 467.551 4.460 5 40 JIBB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2c2cccs2)cc1 21469386 UITBVEQRXQAWHA-SBUREZEXSA-N 479.514 4.241 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 8741644 NHZSTDKVUILCCA-HBMCJLEFSA-N 494.847 4.208 5 40 JIBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(C)c([N+](=O)[O-])c1 8831239 AFGIXAVSCQYTOQ-UHFFFAOYSA-N 464.482 4.211 5 40 JIBB COC[C@H](C)n1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 2619722 CFAWBFPDKNUHFH-STQMWFEESA-N 476.942 4.285 5 40 JIBB COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 651494 KGFJJVJZCUVLTQ-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408684279 NFVXNBSVPMXBCL-UXHICEINSA-N 453.882 4.147 5 40 JIBB O=[N+]([O-])c1ccccc1S(=O)(=O)n1nc(C2CCNCC2)cc1-c1ccc(Cl)cc1Cl 8873619 LFIBIYNHAFJESP-UHFFFAOYSA-N 481.361 4.469 5 40 JIBB COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409197299 AXERIRJHGPNAIE-LDADJPATSA-N 490.428 4.397 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O)c1ccc([N+](=O)[O-])cc1 409350166 UACPFGQLUSXDRU-LZYBPNLTSA-N 465.256 4.416 5 40 JIBB CC[C@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223120705 VZJDXKHIOPYVSM-QHCPKHFHSA-N 473.595 4.287 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 13424515 IBCWDRPGPNGGSI-UHFFFAOYSA-N 460.519 4.336 5 40 JIBB COc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1Cl 20610890 IFQFQQPAQGKHDZ-UHFFFAOYSA-N 453.842 4.008 5 40 JIBB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1)c1ccc([N+](=O)[O-])cc1 39763613 YPFCZAIQBXHYEL-UHFFFAOYSA-N 474.389 4.058 5 40 JIBB O=C(c1ccc(-c2cccc(Cl)c2)o1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1 107663922 IFUISYRTRJBVPJ-UHFFFAOYSA-N 496.951 4.307 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408688441 WIBGXCHUYDAOFD-WZBLMQSHSA-N 488.327 4.490 5 40 JIBB COc1ccc(CNC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 9515832 KDSZCSOACDKXGG-INIZCTEOSA-N 490.541 4.100 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10315154 KFZJUXJDOGTDIC-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB C[C@H](Oc1ccc2[nH]c3ccccc3c(=O)c2c1)C(=O)NC(=O)NC12CC3CC(CC(C3)C1)C2 12522155 HCEXNQKSGYBJBY-GLCHGYBISA-N 459.546 4.243 5 40 JIBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2 14269425 NLAHEXORFCPEGE-UHFFFAOYSA-N 470.532 4.021 5 40 JIBB Cc1cc2oc(=O)cc(COC(=O)c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c2cc1C(C)C 16318997 XKUNJFJYAKRPAT-UHFFFAOYSA-N 466.490 4.327 5 40 JIBB Cc1cc(NC(=O)[C@@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2)no1 16744150 SWJAMWLBYBGVQK-NRFANRHFSA-N 450.451 4.028 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408532964 OUAMGCJKZGKUQP-IBGZPJMESA-N 453.520 4.096 5 40 JIBB O=C(c1cc2ccccc2o1)N1CCN(c2ccc([N+](=O)[O-])c(NCc3cccnc3)c2)CC1 13633019 MOMBVUHWVQVNFN-UHFFFAOYSA-N 457.490 4.311 5 40 JIBB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 35213026 YWCPFCQYTUVFEP-UHFFFAOYSA-N 477.030 4.378 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)Cc3cccc([N+](=O)[O-])c3)cc2)cc1Cl 38756076 ZZIVJGPMJBYBJF-UHFFFAOYSA-N 495.966 4.299 5 40 JIBB Cc1ccccc1C(=O)n1c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2c2cc([N+](=O)[O-])c([N+](=O)[O-])cc21 101655313 FCGZRHARZPOZDK-UHFFFAOYSA-N 465.334 4.424 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225520662 CBCXWQNTHNVVDP-GHTZIAJQSA-N 471.554 4.013 5 40 JIBB O=C(CSc1n[nH]c(-c2cc(Br)ccc2O)n1)Nc1cc([N+](=O)[O-])ccc1Cl 408543762 QBHLBDGZBNRANT-UHFFFAOYSA-N 484.719 4.232 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408572047 QMYPCZKGSNZDGJ-CNOGLUJGSA-N 491.519 4.372 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccccc1 408586550 NUTSYHSABVKPRB-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408677989 CKVDSPFUSQUQMX-RBUKOAKNSA-N 453.882 4.147 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13811719 PKNFLNIAEUQHQA-OHTANWTRSA-N 486.553 4.117 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1 18059707 YBVDIFBWHOGWLW-FKBYEOEOSA-N 479.876 4.308 5 40 JIBB CCCCn1/c(=N\C(=O)c2ccccc2Cl)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101095078 BYODLEKQEVLCRV-FAJYDZGRSA-N 492.963 4.329 5 40 JIBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224125404 DEBVBBXEKIFFBM-OAHLLOKOSA-N 476.371 4.232 5 40 JIBB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 260941177 RHDVBXFWYOGHCZ-SJORKVTESA-N 477.583 4.067 5 40 JIBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 408641556 CRJRDBWUACZEMA-CQSZACIVSA-N 477.860 4.173 5 40 JIBB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)C(C)C)cc1 409170174 SSEMGRZKQQAVMV-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB COc1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc5c(c4)OCO5)cnc32)c1 2400356 AVERSQURBJFWIN-UHFFFAOYSA-N 477.480 4.069 5 40 JIBB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 18099679 INKGUAIAJDNUEY-ZLNRFVROSA-N 461.449 4.347 5 40 JIBB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc(Br)c1O 214980102 RWKPNNXMZUEPSU-OVCLIPMQSA-N 465.281 4.308 5 40 JIBB CC[C@@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223115355 AXJJCGWVLHGSEG-VGOFRKELSA-N 473.595 4.204 5 40 JIBB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409335346 VYBLSIONOQMSNL-QFIPXVFZSA-N 485.562 4.271 5 40 JIBB O=C(Nc1ccc(N2CCCC2)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccc([N+](=O)[O-])o1 9090685 GVTXWEMSBIUHGI-UHFFFAOYSA-N 490.925 4.495 5 40 JIBB CCCCNCC1=C(C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1Cc1ccccc1 13030100 FUZQRQYTPXVARO-HSZRJFAPSA-N 466.538 4.068 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408566698 OKYFVAKWFIQCCZ-DNKZPPIMSA-N 491.519 4.325 5 40 JIBB CCn1c(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C(=O)O)nnc1-c1ccc(Cl)cc1 408631492 FFQWADAMPVSJDN-CXUHLZMHSA-N 476.898 4.459 5 40 JIBB CCc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 409151875 IKISWZOUNDRVBL-FQEVSTJZSA-N 482.566 4.133 5 40 JIBB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1 3005717 IZNVLQHUXHJTHQ-QHCPKHFHSA-N 478.501 4.439 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)c1 9891948 CYRMVWLNUIYEPC-UDWIEESQSA-N 460.446 4.003 5 40 JIBB CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2ccccc21 89493532 BJKXNSSTDWPPNW-MOPGFXCFSA-N 461.971 4.294 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 138775460 PTJHMGOMAJLQSC-MDASCCDHSA-N 455.898 4.227 5 40 JIBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(C)S(=O)(=O)c1ccccc1 224815438 JUBMDEARCGLIBC-UHFFFAOYSA-N 469.519 4.067 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408683664 LXRNYXIJZFECRF-IAGOWNOFSA-N 474.300 4.410 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccc(F)cc1 8739817 DRNIWGMOTRWLPP-ZEQKJWHPSA-N 484.487 4.100 5 40 JIBB biogenic C[C@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 15549305 YLBVPXQNLPMGAV-MRXNPFEDSA-N 476.489 4.207 5 40 JIBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224531201 RKZDSSMGCDNSCS-QFIPXVFZSA-N 453.539 4.012 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]21 408689800 ZDHRMBZUEHERNG-LIVBEALHSA-N 453.882 4.003 5 40 JIBB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409199287 BGGVDXBIVDTKCS-BOPFTXTBSA-N 457.464 4.162 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccccc1Br 409328331 SILWMISWNCMLGZ-OQLLNIDSSA-N 462.281 4.032 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3270576 SQDBJQKGHPXMSB-AWEZNQCLSA-N 480.502 4.496 5 40 JIBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474721 SUFJEIQYKHSICX-UHFFFAOYSA-N 476.474 4.482 5 40 JIBB Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 9667390 FZONAZDAWMFKQA-UHFFFAOYSA-N 456.524 4.477 5 40 JIBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1 12311708 PUOUVBWWNRZKPM-STQMWFEESA-N 465.428 4.290 5 40 JIBB C[N+](C)(CCOC(=O)[C@@](O)(c1ccccc1)C1CCCC1)COC(=O)C12CC3CC(CC(C3)C1)C2 12371964 SZYGKUTXRIDPES-SCJINTMISA-N 484.657 4.401 5 40 JIBB CN[C@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 12501465 HKSZLNNOFSGOKW-LCWSOADTSA-N 466.541 4.354 5 40 JIBB biogenic,in-vitro Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 13844319 JLTOMMJTLYZUJL-UHFFFAOYSA-N 492.923 4.379 5 40 JIBB Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4ccc([N+](=O)[O-])cc4)C3=O)CC2)cc1Cl 20266069 UWUWCTKHZRTUJQ-UDWIEESQSA-N 472.954 4.373 5 40 JIBB O=[N+]([O-])c1cnn(C23C[C@H]4C[C@@H](CC(Cc5nn6c(-c7ccco7)nnc6s5)(C4)C2)C3)c1 103160048 NJBMIZPIOARONL-SUXCYGLUSA-N 451.512 4.089 5 40 JIBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c1 408908768 YOMPFXMYLDYVKR-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB CC(=O)c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC(=O)c1ccc([N+](=O)[O-])cc1 2774750 LGMPVXVPAVUTSS-UHFFFAOYSA-N 450.359 4.144 5 40 JIBB O=C(C[C@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NC1CCCCC1 2967962 XVZDKPWTASNBPK-OAQYLSRUSA-N 491.573 4.326 5 40 JIBB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccc([N+](=O)[O-])cc2)ccc1Cl 3228885 CSJIHFCOOSGDKZ-UHFFFAOYSA-N 460.895 4.430 5 40 JIBB O=C(NC(=S)Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833167 DNOYRFLVIXDXGN-UHFFFAOYSA-N 487.545 4.056 5 40 JIBB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Br)cc2)c1)c1ccc([N+](=O)[O-])s1 9631542 ZKBINHYIUJRQDY-UHFFFAOYSA-N 482.337 4.472 5 40 JIBB COc1ccc([N+](=O)[O-])cc1CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccccc1 9778561 MCZYZJAULBAXIU-UHFFFAOYSA-N 499.545 4.029 5 40 JIBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)[C@H]1COc2ccccc2O1 12599861 QKJCUBACZYRSHC-GOSISDBHSA-N 454.460 4.279 5 40 JIBB O=C(Nc1ccc(OCCN2CCOCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCCCC1 225536952 WKBVGZKOMXKJCH-UHFFFAOYSA-N 453.539 4.146 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247361107 ZOCSCFCHXRISLO-YCAMKHIRSA-N 483.455 4.132 5 40 JIBB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 408596688 UNLBCZLVVBYSQC-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB Cc1cc(Br)ccc1-c1c([N+](=O)[O-])cc2c3c(cccc13)C(=O)N(CCCO)C2=O 408755074 BLGXALLGLHQAHP-UHFFFAOYSA-N 469.291 4.464 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Br)cc1 1506418 AIFWCTYASACFRM-ISQHLFTMSA-N 475.298 4.234 5 40 JIBB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)n1C[C@@H]1COc2ccccc2O1 2636317 WVGLSUSQCATAOZ-YVNCXZRQSA-N 476.485 4.292 5 40 JIBB Cc1cccc(Cn2ccc(NC(=O)c3ccc(Cn4cc(Cl)c([N+](=O)[O-])n4)cc3)n2)c1 2809517 PMTGVMZFUYGICF-UHFFFAOYSA-N 450.886 4.299 5 40 JIBB C[C@H](Sc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9059419 GAJZIZWZJNSERI-AWEZNQCLSA-N 465.491 4.320 5 40 JIBB Cc1ccc(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)cc1[N+](=O)[O-] 13016923 WVFPEQFCVPPGND-MQVJKMGUSA-N 450.582 4.388 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1C 33718968 RYKPHOUXBYWSCR-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB CCOC(=O)c1sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c(C(=O)Nc2ccccc2)c1C 409053019 GHDHNDWFIPRSBN-UHFFFAOYSA-N 483.502 4.411 5 40 JIBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)cc1Cl 820903 KEHPPVFTYYTQML-UHFFFAOYSA-N 462.167 4.051 5 40 JIBB CCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792222 ZHPVTSKZTUDGDM-OAHLLOKOSA-N 473.529 4.293 5 40 JIBB biogenic Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 9062374 OFUFPZKHDCEJRN-UHFFFAOYSA-N 479.474 4.006 5 40 JIBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nnc1-c1ccccc1F 9284850 CIUGEMQHKUUKTJ-UHFFFAOYSA-N 455.393 4.279 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSc1cc(C)c(Br)cc1C 9373165 FOTPYDOXCMNHFG-UHFFFAOYSA-N 483.340 4.257 5 40 JIBB COc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 10041701 JYHKEFAFVJUYDZ-QFIPXVFZSA-N 451.431 4.402 5 40 JIBB Cc1sc2nc(CN3CCOCC3)nc(N(C)Cc3cc([N+](=O)[O-])ccc3Cl)c2c1C 12601487 YWUHOLHGEGXQNQ-UHFFFAOYSA-N 461.975 4.338 5 40 JIBB Cc1cc(Br)ccc1SCC(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 13930163 NLXJIBRXIZGNSK-UHFFFAOYSA-N 454.298 4.368 5 40 JIBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1cc(Cl)ccc1[N+](=O)[O-] 22094998 KXRJMHWMEACDOV-UHFFFAOYSA-N 486.834 4.060 5 40 JIBB O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N[C@H]1CCOc2ccccc21 27201386 CQNITOFNYHYOHZ-FQEVSTJZSA-N 461.474 4.004 5 40 JIBB CC[C@@H](NC(=O)CCCN(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223120632 VZJDXKHIOPYVSM-HSZRJFAPSA-N 473.595 4.287 5 40 JIBB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 408999804 SBXKFSFAFNSGID-VWLOTQADSA-N 474.513 4.294 5 40 JIBB O=c1c2c3c(sc2nc2c(NS(=O)(=O)c4ccccc4)nc4ccccc4n12)CCCC3 3195941 YNMQNIDLMBEDED-UHFFFAOYSA-N 462.556 4.137 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C 9119481 KXXFMIMGEJPOQI-LBPRGKRZSA-N 477.930 4.084 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCc3c[nH]c4ccccc34)cc2)cc1[N+](=O)[O-] 9220142 YEVZIFKNKCOKOA-UHFFFAOYSA-N 478.530 4.158 5 40 JIBB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc([N+](=O)[O-])c(N2CCOCC2)c([N+](=O)[O-])c1 9434048 PZKQXFQKYYOUEF-UHFFFAOYSA-N 488.460 4.135 5 40 JIBB CN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N(c3ccccc3)C(=O)N=C2O)[C@H]1c1ccccc1 16975733 DQTVRLLVHDPTFZ-BWKNWUBXSA-N 456.458 4.438 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 20802633 DUDJDQYNGYYXQC-LEWJYISDSA-N 450.495 4.106 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C1=O 103769173 DAPJEZMBURUODK-IFMALSPDSA-N 460.877 4.339 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 408641453 LPSHIHYAJUDHJO-SNVBAGLBSA-N 457.792 4.267 5 40 JIBB COc1cccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)c1 408644576 HASBTQFHZDDVEW-FQEVSTJZSA-N 474.469 4.049 5 40 JIBB NC(=O)c1cc2cc(Br)cc(Br)c2o/c1=N\c1cc([N+](=O)[O-])ccc1F 1775969049 VGNOSWKOEYGOIZ-PGMHBOJBSA-N 485.063 4.336 5 40 JIBB COc1cc([C@@H](C)OC(=O)[C@H]2CSC(c3nc4ccc(O)cc4s3)=N2)c([N+](=O)[O-])cc1OC 2565861 VGEMOUFKGRGCNZ-QMTHXVAHSA-N 489.531 4.094 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc([N+](=O)[O-])cc1)CC2 12852676 JILOVJJINMBITL-HSZRJFAPSA-N 453.520 4.260 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35855399 QHZSRBHYUUQZRB-ICLZECGLSA-N 486.553 4.117 5 40 JIBB O=[N+]([O-])c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)c1 223329292 QPYFWRRQBXLGCE-WTOYTKOKSA-N 450.520 4.401 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225580903 JUVKUSHGRYMJOP-GHTZIAJQSA-N 471.554 4.013 5 40 JIBB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 3416304 AXVZFSGOWIOAPB-AWEZNQCLSA-N 455.467 4.126 5 40 JIBB Cc1cc(C(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)c(C)n1CCc1ccc(Cl)cc1 12814348 HQRMUAFLYMAFDZ-UHFFFAOYSA-N 465.893 4.388 5 40 JIBB CCCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)c1 35394847 AKQMKDJJQDJLMH-UHFFFAOYSA-N 476.986 4.264 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1 39772401 WJHHJJVPPOTYMW-UHFFFAOYSA-N 479.474 4.006 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)Nc1ccccc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 44802967 CGIYDCXZSNRIKV-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB CCCCn1/c(=N\C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101131362 GCRVNCNVRAAMHG-FAJYDZGRSA-N 492.963 4.329 5 40 JIBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cccc1[N+](=O)[O-] 408533800 QTZLJXFZVLFXRA-LJQANCHMSA-N 453.520 4.096 5 40 JIBB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 3307515 ZTKDSDRMXGXXQG-CQSZACIVSA-N 490.513 4.271 5 40 JIBB C[C@@H](c1nnc(SCC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])n1Cc1ccccc1)N(C)C 9662365 KKMSJEGECLRUGE-AWEZNQCLSA-N 474.974 4.241 5 40 JIBB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 14269946 NKFFHJLYGYMCQJ-UHFFFAOYSA-N 470.551 4.279 5 40 JIBB Cc1nc(NC(=S)NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1Br 14270742 BWADTLCJVOHFAU-UHFFFAOYSA-N 461.297 4.448 5 40 JIBB CS(=O)(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C[C@@H]2CCCO2)c([N+](=O)[O-])c1 14314708 SIRBHIXBEQCAIO-INIZCTEOSA-N 459.549 4.192 5 40 JIBB Cc1csc(Sc2ccc(C(=O)NC[C@@H](c3cccs3)N3CCOCC3)cc2[N+](=O)[O-])n1 29842182 BUBAAHDYWUZQTQ-KRWDZBQOSA-N 490.632 4.376 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(C(=O)c1ccccc1)=NN2c1ccc([N+](=O)[O-])cc1 103769205 LKQQYCUEDOYGCC-UNMCSNQZSA-N 488.887 4.174 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 223549430 KIRZYTLLDYVIMH-GOTSBHOMSA-N 456.531 4.348 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)Nc4nccs4)cc3c3ccnc2c31 524732171 AJIKLOKYBLFXKE-UHFFFAOYSA-N 486.509 4.083 5 40 JIBB biogenic N=C1Nc2nc3cc4c(cc3n2[C@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1)OCCCO4 602758320 LQOKVBPYDIMRDP-JOCHJYFZSA-N 472.461 4.395 5 40 JIBB COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1OC 716126 YKOVUMKSDLYBLQ-VWLOTQADSA-N 478.501 4.417 5 40 JIBB CCOC(=O)c1c(C)n(C[C@@H](O)c2ccc([N+](=O)[O-])cc2)c2c1cc(O)c1ccc(O)cc12 2295134 PVEUXIIROJISAU-OAQYLSRUSA-N 450.447 4.333 5 40 JIBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(Cc3cccs3)cnc21 8836061 AUKLHHSQUIFUNL-UHFFFAOYSA-N 453.527 4.461 5 40 JIBB COc1cccc(/C=c2/sc3nc4ccccc4n3c2=O)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9187171 CVSYPAAVWHBVJR-RGVLZGJSSA-N 490.453 4.074 5 40 JIBB Cc1c(NC(=O)C2CCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)CC2)cccc1[N+](=O)[O-] 10691914 XXEWODMXRRAMGE-UHFFFAOYSA-N 486.377 4.391 5 40 JIBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 13112908 YCCCXCKCRJURSK-UHFFFAOYSA-N 494.573 4.261 5 40 JIBB COc1ccc(CN(C(=O)c2ccc([N+](=O)[O-])cc2)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 16736734 IBQMGAXNJYDKPI-UHFFFAOYSA-N 472.501 4.248 5 40 JIBB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2C(C)=O 100539709 NSPDSWZRWYILBS-YIFBXAAPSA-N 498.146 4.015 5 40 JIBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224932792 QFHKFEHVDVCOLK-VWLOTQADSA-N 477.536 4.441 5 40 JIBB O=C(OCc1nc2ccccc2s1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 12600939 FPFGMGINZUCZFM-UHFFFAOYSA-N 495.966 4.002 5 40 JIBB Cc1ccc(C(=O)OCCCNC(=O)[C@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 13607811 NUZJUKXDWJJUDX-SFHVURJKSA-N 459.498 4.385 5 40 JIBB COc1cc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 18038472 JOMCFRDCHSYCOG-VSKRKVRLSA-N 495.875 4.014 5 40 JIBB CC[C@@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 20454426 BLJDCEDAJOELQK-HSZRJFAPSA-N 497.573 4.375 5 40 JIBB CN(C)c1cc(C(=O)O[C@@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccn1 32928615 HKZMEZUEKVSDQM-HXUWFJFHSA-N 454.870 4.246 5 40 JIBB C[C@@H]1CCC[C@](O)(CNc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C1 65547920 VTSGIJSRJQPPTH-JLTOFOAXSA-N 453.948 4.402 5 40 JIBB CCCCCn1/c(=N\C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101175355 KRUBDWWSMQFWDR-JVCXMKTPSA-N 486.572 4.374 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)c1 409102539 DFRRXSHFCFCJBJ-HYARGMPZSA-N 486.484 4.014 5 40 JIBB CCCCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cccc([N+](=O)[O-])c3)n[nH]2)cc1 6172855 POSIRWBQLOCCRB-UHFFFAOYSA-N 455.496 4.068 5 40 JIBB COc1ccccc1NC(=O)CSc1nnc(COc2ccc([N+](=O)[O-])cc2)n1-c1ccccc1 6177022 ZQGSSNFCFTTZBV-UHFFFAOYSA-N 491.529 4.494 5 40 JIBB Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)c([N+](=O)[O-])c1 9698533 XGURWPWWCSKBIE-UHFFFAOYSA-N 453.520 4.096 5 40 JIBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](SCc1ccco1)C(Cl)(Cl)Cl 12564799 FZLWHQHVRWUETA-LBPRGKRZSA-N 457.723 4.049 5 40 JIBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 35155162 RGKZQTYJJWSOTL-UHFFFAOYSA-N 451.310 4.213 5 40 JIBB O=C1S/C(=C\c2ccc(O)c(I)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106740390 UYIGUIZIMCNELG-NVNXTCNLSA-N 482.255 4.142 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 223472573 TUTRKXGBQVWSEP-GOTSBHOMSA-N 456.531 4.348 5 40 JIBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCc1ccc2c(c1)OCO2 8792201 QYIJAHZWSXYQIX-UHFFFAOYSA-N 477.476 4.016 5 40 JIBB biogenic CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c(C)c3)nn12 14273965 AJOJNJDCTJLTEU-UHFFFAOYSA-N 481.563 4.067 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 16037197 HTFGQORUFSEBGG-LIONHTAISA-N 495.491 4.002 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccccc1C 34828941 HLVVZPHZYFUMCT-INIZCTEOSA-N 482.566 4.045 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)Cc1ccccc1 103628833 PJSMOWXQNSBSQL-BXVZCJGGSA-N 484.556 4.001 5 40 JIBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 223134176 IQKMUYAJMJGBNJ-VWLOTQADSA-N 459.546 4.222 5 40 JIBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1ccc2ccccc2c1 409137683 XYOQTAFDKCTBCE-UHFFFAOYSA-N 490.545 4.020 5 40 JIBB CCCOC(=O)c1ccccc1Nc1nc2nc3ccccc3c(=O)n2cc1Br 1823180 FVAFNCBJRQVEOA-UHFFFAOYSA-N 453.296 4.316 5 40 JIBB CCCN(Cc1cc([N+](=O)[O-])cc2c1OCOC2)S(=O)(=O)c1cccc(C(F)(F)F)c1 2647297 QFOVGZRQMKOBMC-UHFFFAOYSA-N 460.430 4.081 5 40 JIBB CCCCCCN1CC(=O)N2[C@@H](c3cccc([N+](=O)[O-])c3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 9168309 PGMOCGZDIZXQEI-RDGATRHJSA-N 460.534 4.341 5 40 JIBB biogenic Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9512036 NNSNJKZINIQSSX-UHFFFAOYSA-N 453.930 4.072 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 9720947 DFACKIHETGHMON-GQFJFNLSSA-N 486.502 4.170 5 40 JIBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2)CC1 14277261 HARVGGHGKZCGPX-UHFFFAOYSA-N 479.562 4.124 5 40 JIBB CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102761750 LJXSTPREHRDJNC-YPAWHYETSA-N 461.499 4.368 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1 104149909 GBYKXNJAMLIMQC-BDTNDASRSA-N 479.876 4.308 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225609535 IWGIVAQKHOFFQL-OXQOHEQNSA-N 491.972 4.358 5 40 JIBB CCCCOC(=O)Nc1nnc(SCC(=O)Nc2nnc(-c3cccc([N+](=O)[O-])c3)s2)s1 9369173 LOXVIUHDGJFPKR-UHFFFAOYSA-N 495.568 4.044 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCCC2)ccc1N1CCC([C@@H](O)c2ccccc2)CC1 12558238 NDMKQDCZDNOEEC-DEOSSOPVSA-N 473.595 4.110 5 40 JIBB CCOC(=O)C1=C(c2ccccc2)NC(N)=N[C@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1 12641763 VIWRKTRVHIHSSF-DEOSSOPVSA-N 488.500 4.329 5 40 JIBB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 12750212 ZCNPWIOOBMJKKW-IBGZPJMESA-N 487.559 4.312 5 40 JIBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc2ccccc2c1 16545787 VQXATCWJRTYPPD-UHFFFAOYSA-N 454.939 4.238 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 20802700 JUPCMECQNDLHHS-LEWJYISDSA-N 450.495 4.106 5 40 JIBB COc1ccccc1N1CCN(c2ccc(-c3noc(-c4cccnc4)n3)cc2[N+](=O)[O-])CC1 20894360 GWPBFTGFWJBCNH-UHFFFAOYSA-N 458.478 4.042 5 40 JIBB O=C(Nc1ccccc1C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 22990452 FIZNIBMNKAYBCN-UHFFFAOYSA-N 478.936 4.459 5 40 JIBB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 40148894 ZUNWMWQGGYAURT-GFCCVEGCSA-N 489.351 4.458 5 40 JIBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222607678 CLTYJNZZVSWLLZ-OAQYLSRUSA-N 461.559 4.299 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223326118 JQJLDLXKSROAEC-FNVCAUGXSA-N 480.546 4.410 5 40 JIBB C[C@H](CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1)c1ccccc1 224821934 RJNLZAXPSRPKQL-GOSISDBHSA-N 467.547 4.095 5 40 JIBB Cc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408643163 FRRGTCWZXWDMDE-NRFANRHFSA-N 458.470 4.349 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 408979514 MNHZGCFMSWGRKE-QFIPXVFZSA-N 453.520 4.260 5 40 JIBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)C1=O 409242035 PRUXSFBRUUVMFD-FYJGNVAPSA-N 474.473 4.257 5 40 JIBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)c(OC)c1 409315228 UROCATVSQFCYLX-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB O=C(Nc1ccccc1-c1ccccc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9227142 ZBTUQYJTLOJBSZ-UHFFFAOYSA-N 465.531 4.301 5 40 JIBB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 13591479 KRELDQODEZNBMH-HXUWFJFHSA-N 495.553 4.321 5 40 JIBB CCCCn1nc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1C 14405596 SMXUSBZBEFBQJY-UHFFFAOYSA-N 471.539 4.261 5 40 JIBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(c1ccccc1)c1ccccc1 89493512 FKNFPKYWUPWJRK-JOCHJYFZSA-N 463.559 4.352 5 40 JIBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224125355 DEBVBBXEKIFFBM-HNNXBMFYSA-N 476.371 4.232 5 40 JIBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224281033 ILXFBVYGGKQZTP-QGZVFWFLSA-N 461.559 4.157 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cc([N+](=O)[O-])ccc1C 408621614 NNCJUPVLXJXUCK-UHFFFAOYSA-N 497.573 4.092 5 40 JIBB COc1cc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)Cl)n3n2)cc([N+](=O)[O-])c1 1070785 NSLSLCPQNTWGHL-UHFFFAOYSA-N 463.784 4.447 5 40 JIBB COc1ccc(CCn2c(-c3ccc(F)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2439556 ZMZDCMZSEGVJAN-UHFFFAOYSA-N 455.489 4.306 5 40 JIBB O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809543 SCRIYTNBSWLUMS-UHFFFAOYSA-N 454.849 4.129 5 40 JIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(I)cc1 8895105 WEWZKGRRABUWDE-UHFFFAOYSA-N 475.695 4.288 5 40 JIBB CCN(CC)S(=O)(=O)c1cc2c(SCC(=O)O)c3cc(OC)ccc3nc2cc1Cl 8934355 YJAKFHMWSOMXEI-UHFFFAOYSA-N 468.984 4.257 5 40 JIBB O=C(Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1)c1ccccc1[N+](=O)[O-] 9509609 KDYQVJFGMCWDLH-UHFFFAOYSA-N 472.567 4.012 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1)c1ccccc1[N+](=O)[O-] 9526216 ZCIIJKNGTVZMPT-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB C[C@H]1C[C@H](C)CN(c2ccc(C(=O)OCc3nc4ccc(Cl)cc4n3CCO)cc2[N+](=O)[O-])C1 12546510 PGQYTHFQFXIIFJ-HOTGVXAUSA-N 486.956 4.430 5 40 JIBB COc1ccc(NC(=O)[C@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c([N+](=O)[O-])c1 12750495 SIOHKFITMSVTKE-AWEZNQCLSA-N 474.535 4.495 5 40 JIBB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22707516 YYGDAGCLNRUPCM-UHFFFAOYSA-N 471.469 4.457 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408918897 QHVSHVYIIDINKG-YCIYHOANSA-N 460.873 4.351 5 40 JIBB O=C(O)c1ccc(Sc2nnc(Sc3ccc(C(=O)O)cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1 9090718 GYWAWCZDKZBXAP-UHFFFAOYSA-N 480.461 4.053 5 40 JIBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224911565 NARSWFMOLRUEEX-QHCPKHFHSA-N 487.622 4.416 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565181 INWFJGCTTGGURQ-OGZQIAKDSA-N 473.529 4.151 5 40 JIBB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)OCc4cc([N+](=O)[O-])cc5c4OCOC5)cc3C2=O)c1 2664283 JAXQZUCDJXTLSV-UHFFFAOYSA-N 488.452 4.236 5 40 JIBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl 9142380 VHQTXHTZPNEEKB-UHFFFAOYSA-N 458.721 4.455 5 40 JIBB CC(C)n1nc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)c2ccccc2c1=O 9493604 XFSHAPKRNKCBQA-LBPRGKRZSA-N 492.410 4.088 5 40 JIBB Cc1cc(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)ccc1[N+](=O)[O-] 35263919 LQDGXNOWCSVLOV-UHFFFAOYSA-N 494.916 4.484 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1C 107570744 NRCIUMNYXKUBCU-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408566705 OKYFVAKWFIQCCZ-YDOVEJIGSA-N 491.519 4.325 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408678864 DOXHJJVANWTTGI-HOTGVXAUSA-N 474.300 4.410 5 40 JIBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1 409121788 XVKMEJDLIQCNQM-UHFFFAOYSA-N 499.545 4.145 5 40 JIBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Cl 409179231 LDBCNNOTUZMSLD-UHFFFAOYSA-N 459.863 4.121 5 40 JIBB COc1cc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc([N+](=O)[O-])c1 902041 SAIJZMMTKXTFEB-UHFFFAOYSA-N 454.386 4.403 5 40 JIBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)Nc1ccc([N+](=O)[O-])cc1N1CCOCC1 20611824 YCTWCBUIXKWZJU-JXMROGBWSA-N 464.434 4.252 5 40 JIBB Cc1ccc(F)cc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409156170 SRAZCZIAWDODBC-LJQANCHMSA-N 486.529 4.018 5 40 JIBB C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=S)n1nnc2cc([N+](=O)[O-])ccc21 1857793943 AIOCEFZUUSQYPW-AWEZNQCLSA-N 473.514 4.442 5 40 JIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187165 OJVCMNNDHKLNEX-CQSZACIVSA-N 498.995 4.225 5 40 JIBB O=c1/c(=C\c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2nc3ccccc3n12 12360471 OBLMDVZTNGTOCV-RGVLZGJSSA-N 460.427 4.066 5 40 JIBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142911 AVJIQTWUCSCLIA-UHFFFAOYSA-N 457.870 4.089 5 40 JIBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22566864 FEJSYDCFORIUJM-UHFFFAOYSA-N 459.462 4.195 5 40 JIBB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224943041 XROAWJOWZMHWNC-HSZRJFAPSA-N 471.623 4.450 5 40 JIBB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 409181385 CCKYCRLNPQTTLV-RUZDIDTESA-N 462.458 4.490 5 40 JIBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3Cc2ccc3c(c2)OCO3)cc1 2256046 XIZBCMUDALJCIK-UHFFFAOYSA-N 475.508 4.428 5 40 JIBB O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8831788 JEDRLSZHLDWTJY-UHFFFAOYSA-N 456.842 4.379 5 40 JIBB CCOC(=O)C1=C(C)Nc2ccccc2N=C1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 13129027 BMKYHZSFTYHILU-UHFFFAOYSA-N 477.521 4.308 5 40 JIBB COc1ccccc1N1CCN(c2ccc(-c3nc(-c4ccccn4)no3)cc2[N+](=O)[O-])CC1 15833890 XJABYNWYCWGVLU-UHFFFAOYSA-N 458.478 4.042 5 40 JIBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)cc([N+](=O)[O-])cc3Cl)n2)cc1 408545472 RBVGWYXBOSVZLI-UHFFFAOYSA-N 454.295 4.426 5 40 JIBB COc1cc(Cl)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408572646 RQBSUJNOEAUNKC-GOSISDBHSA-N 452.895 4.496 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408685647 PQKDUWCFRHBIRL-QGPMSJSTSA-N 455.898 4.227 5 40 JIBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 409212680 PGUWVUZTHGFIGB-SGPNVBEDSA-N 487.490 4.169 5 40 JIBB COc1cc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(OC)cc1Cl 1807648 HMSXAIXEDLDNJB-UHFFFAOYSA-N 475.885 4.061 5 40 JIBB CCn1c(CN2CCC(C)CC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 8606716 XQATVQYODUWDAR-UHFFFAOYSA-N 451.527 4.214 5 40 JIBB O=C1[C@@H]2[C@H](C(=O)N1c1ccccc1[N+](=O)[O-])C1c3ccccc3C2(Br)c2ccccc21 9056353 ZPZKWWDBBHMJLQ-ISQHLFTMSA-N 475.298 4.498 5 40 JIBB biogenic COc1ccc(-c2ccc(C(=O)Nc3cc(-c4nn5cnnc5s4)ccc3OC)o2)c([N+](=O)[O-])c1 10119949 KDYLQIOMFYOWBM-UHFFFAOYSA-N 492.473 4.291 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409143455 CBEQDJLMIUACCE-MRXNPFEDSA-N 482.566 4.045 5 40 JIBB COc1cccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c1 8792292 LFYNRTRKQXTKIA-UHFFFAOYSA-N 463.493 4.296 5 40 JIBB biogenic Cn1ccnc1[C@@H](Nc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12559647 WERCTQFPNPUDOD-INIZCTEOSA-N 474.848 4.477 5 40 JIBB CC[C@H](Sc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)C(=O)NCc1cccnc1 20643405 UMQVRIPFMDSBJA-NRFANRHFSA-N 499.556 4.435 5 40 JIBB O=C(c1c2ccccc2cc2ccccc12)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1 12810163 AVUBUWAMXOIXKS-UHFFFAOYSA-N 475.526 4.048 5 40 JIBB COC(=O)c1c(NC(=O)Cc2cccs2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424265 ZWINXVLMWBYCKI-UHFFFAOYSA-N 459.505 4.246 5 40 JIBB Cc1cc(C)c2c(n1)sc1c2ncn2nc(C3CCN(S(=O)(=O)c4ccccc4)CC3)nc12 13643695 YPRHNUSKZWVZRR-UHFFFAOYSA-N 478.603 4.072 5 40 JIBB CN(CCC(=O)Nc1ccc([N+](=O)[O-])cc1)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 31162480 BHORVVPEJCLZAT-UHFFFAOYSA-N 458.824 4.166 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223472731 HNZHTSAEGOSOCW-XZOQPEGZSA-N 456.531 4.348 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224882083 IDAPQJQRYAIQIL-CQSZACIVSA-N 452.338 4.388 5 40 JIBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225580962 JUVKUSHGRYMJOP-RXVVDRJESA-N 471.554 4.013 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2Br)C1=O 409329850 HOCAUZDXCIFJBZ-CXUHLZMHSA-N 492.307 4.041 5 40 JIBB O=C(NC(=S)Nc1ccc(Br)cc1C(=O)O)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 16399971 QDIWESHDOALFPC-UHFFFAOYSA-N 490.291 4.442 5 40 JIBB O=[N+]([O-])c1ccc(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCCC3)CC2)cc1 19343036 NIVMIVXHEIGNFC-NRFANRHFSA-N 453.572 4.060 5 40 JIBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 225116903 LAYMOOGDJNUOJG-AREMUKBSSA-N 489.572 4.311 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225610768 XZADLVJSUQFTTF-CQSZACIVSA-N 498.363 4.231 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1OC 408576404 ULBLZCIERHICPS-GXDHUFHOSA-N 475.501 4.236 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409017452 WSADOACOZCYJFO-ONDHQXCVSA-N 456.476 4.162 5 40 JIBB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1 409184442 YATYOICTCRWYFX-UHFFFAOYSA-N 467.499 4.225 5 40 JIBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 9288567 UESKXRIFXCBZBP-QHCPKHFHSA-N 456.454 4.498 5 40 JIBB Cc1cccc(N2CCN(C(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@H]2C)c1 9493645 NJTOHBMIOKHXIH-CVEARBPZSA-N 450.461 4.460 5 40 JIBB O=C(COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O)Nc1ccc([N+](=O)[O-])cc1Cl 21543343 YDJRJADNJBOLDV-OAQYLSRUSA-N 480.860 4.498 5 40 JIBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408565365 JYUOUAHPCDGYBG-GJECAEJISA-N 493.947 4.450 5 40 JIBB COc1ccc(N(CC(=O)Nc2ccc(F)c(F)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 409264213 NVBQKHGFOYYKFM-UHFFFAOYSA-N 491.472 4.024 5 40 JIBB O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 1839696 MSGHTQFMJZREGQ-BXWFABGCSA-N 481.408 4.020 5 40 JIBB COc1ccccc1N[C@H](NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 3158663 KOBURHSWQXNAIX-OAHLLOKOSA-N 463.661 4.050 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(CCc3ccccc3)C2=O)[C@@H]1CCC 9089789 DKWKOZZKOLAJTN-HOFKKMOUSA-N 492.576 4.234 5 40 JIBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ncnc3cc([N+](=O)[O-])ccc23)cc1 9119474 IISVPZFUYAQQTP-XMMPIXPASA-N 483.484 4.303 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCCCC1 9356178 AGZDKBZNQYPLEX-UHFFFAOYSA-N 467.931 4.074 5 40 JIBB CCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)c(OC)c2)cc1[N+](=O)[O-] 22568918 SFKVBLDJEWVCOO-UHFFFAOYSA-N 461.430 4.055 5 40 JIBB CCOc1ccc(Nc2ncccc2C(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 24828673 RXMALKCTSGMBBV-UHFFFAOYSA-N 451.435 4.356 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 103012946 BANHIHOHNZMWBH-LZKITUNOSA-N 458.536 4.225 5 40 JIBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCC2)cc1 224047838 JUCBXPXYLFXMNG-GOSISDBHSA-N 485.606 4.313 5 40 JIBB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1 225564058 CJTDTOJUSZGWFO-UHFFFAOYSA-N 455.555 4.392 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684777 OBAVMIOOLOTQNW-VQTJNVASSA-N 498.333 4.256 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c(OC)c1 409175886 DBJAYJVHCWLCLB-LHHJGKSTSA-N 483.502 4.065 5 40 JIBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)C1=O 409250808 NZVMIWKFHQGIDV-BKUYFWCQSA-N 474.473 4.257 5 40 JIBB O=[N+]([O-])c1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 518710588 DYYZZYYYRXRXES-UHFFFAOYSA-N 483.527 4.350 5 40 JIBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCCCC1 2720957 SQEQBWOHKAAFCG-UHFFFAOYSA-N 477.546 4.270 5 40 JIBB CC(C)(C)c1cc(C(=O)NCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc(C(C)(C)C)c1 2747264 AAKDIVRPNMEHQS-UHFFFAOYSA-N 454.523 4.346 5 40 JIBB COCCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2sc3c(c2c1=O)CCCC3 9120391 HMDBEIICWSSFSJ-UHFFFAOYSA-N 499.574 4.234 5 40 JIBB COc1ccccc1-n1c(SCC(=O)NCc2cccs2)nc2cc([N+](=O)[O-])ccc21 9465468 NULHPWBKCKPRRT-UHFFFAOYSA-N 454.533 4.412 5 40 JIBB Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])n1 9561878 YUWVGIAVFSTMHO-LBPRGKRZSA-N 487.515 4.424 5 40 JIBB COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3[N+](=O)[O-])nc3ccccc3c2=O)cc1 9562531 MYVYACSNBVLRCB-UHFFFAOYSA-N 476.514 4.342 5 40 JIBB COc1cc(C(=O)NC[C@@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 12779789 YDTFCLZMXRTMOK-HXUWFJFHSA-N 456.882 4.299 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13679727 PTUDSDFPMVIRIQ-CYBMUJFWSA-N 472.350 4.082 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 18141519 NMSXMQASPHSVCT-SMIHKQSGSA-N 473.485 4.435 5 40 JIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCOCC2)c(Br)c1 20611595 IUTPNWXWBHJXPG-QHHAFSJGSA-N 466.719 4.499 5 40 JIBB Cc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc([N+](=O)[O-])cc4)cc3n2)cc1Cl 32204004 LSKCGTICVNKZBT-UHFFFAOYSA-N 466.910 4.417 5 40 JIBB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 58014496 RWEDWOZXQATYAN-ZDUSSCGKSA-N 456.300 4.156 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1[N+](=O)[O-] 409047941 QCAFCTHJPSKLTG-VUUXHMSQSA-N 488.883 4.267 5 40 JIBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)CCNC(=O)OCc3ccccc3)ccc12 2094442 JDUGMXBTOSBNNS-UHFFFAOYSA-N 461.470 4.485 5 40 JIBB biogenic CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 9412001 KCPCMULNQZKOGI-VXNXHJTFSA-N 473.485 4.435 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)c1ccc(C)c([N+](=O)[O-])c1)n2CC 9467184 NSVDLZVQRPQYKZ-UHFFFAOYSA-N 490.607 4.278 5 40 JIBB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14274399 IMZPWXKESPSLDY-UHFFFAOYSA-N 474.542 4.129 5 40 JIBB COCCOc1cc([N+](=O)[O-])c(C(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)cc1OC 32854837 IORFRHZYILYZKQ-UHFFFAOYSA-N 458.467 4.313 5 40 JIBB O=C(N/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)N1CCCCC1)c1ccccc1Br 8684285 HZBDKVODVGUQAU-RGEXLXHISA-N 458.312 4.141 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Br 9011943 VUCDUKWQOFVHBX-NJDAHSKKSA-N 494.301 4.408 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565250 JCUJYUOUQSTCJM-VPHKFGTKSA-N 463.921 4.441 5 40 JIBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@@H]2CC[C@@H](C)C[C@H]2C1=O 408643217 FUZQBLBHVNVCAZ-XUFNMVPLSA-N 477.517 4.035 5 40 JIBB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(NCCCO)c([N+](=O)[O-])c1 9090910 UXRYOIZMASJWKU-UHFFFAOYSA-N 455.492 4.157 5 40 JIBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@@H]3c3cccnc3)cc2)cc1[N+](=O)[O-] 9391218 WOJHYXTWJUQVFU-JOCHJYFZSA-N 480.546 4.466 5 40 JIBB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1C 12547086 BPXCDCOJAQLWDU-KBPBESRZSA-N 455.511 4.264 5 40 JIBB Cc1ccc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c([N+](=O)[O-])c1 21393067 YYBCZFQZOPHYBG-UHFFFAOYSA-N 471.867 4.121 5 40 JIBB O=C(c1c[nH]nc1-c1ccc(F)cc1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 22242359 BGJTWLKYFSLVTR-UHFFFAOYSA-N 463.391 4.105 5 40 JIBB CC(C)(C)c1ccc(OCCOc2ccccc2/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1 33458749 YPLLOTORVFOPPM-MDWZMJQESA-N 451.479 4.309 5 40 JIBB CC(=O)Nc1ccccc1C(=O)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39760039 AXSBRHWMJPKMKF-UHFFFAOYSA-N 486.444 4.108 5 40 JIBB COc1ccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCCC2)cc1 224957164 ICYLGMURWXRLLL-SFHVURJKSA-N 453.539 4.012 5 40 JIBB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 408597042 ZAAQXHYTIDQRKW-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408662262 XOAOVWGJUXCWMZ-UHFFFAOYSA-N 477.860 4.093 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12975140 NMCMRYPDWFZYMT-QFIPXVFZSA-N 460.442 4.153 5 40 JIBB O=c1[nH]cnc2cc(N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c([N+](=O)[O-])cc12 23968514 AOBGRTUYEORLJX-UHFFFAOYSA-N 477.471 4.021 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccccc2F)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101092861 KIAHWAHBYJBKCJ-KRUMMXJUSA-N 490.535 4.205 5 40 JIBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222852339 GBTCTWGRQBOFNX-JOCHJYFZSA-N 473.595 4.169 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225628827 AFHJCPDGESXBRN-AWEZNQCLSA-N 498.363 4.231 5 40 JIBB Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc(Br)c1Cl 408644254 SFYUAYYVRSOACV-NSHDSACASA-N 452.692 4.311 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 2432255 MRLJKSAARPAOIB-ICLZECGLSA-N 471.538 4.414 5 40 JIBB Cc1nn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2730162 CZYSLLJRMVCVCP-UHFFFAOYSA-N 458.935 4.144 5 40 JIBB CC1(C)c2cc([N+](=O)[O-])ccc2N(CCO)[C@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 4253708 PSNCNECFKAAUFM-FQEVSTJZSA-N 476.283 4.158 5 40 JIBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)N1CCN(c2ccccc2)CC1 8792350 FQUFEZHAJHELDE-UHFFFAOYSA-N 488.547 4.320 5 40 JIBB biogenic CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9064672 WAXKDPULRHWPQG-UHFFFAOYSA-N 470.551 4.279 5 40 JIBB O=C(NC(=S)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1cccc([N+](=O)[O-])c1 9186036 KMQLBYBSGBBEMV-UHFFFAOYSA-N 490.950 4.176 5 40 JIBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccc(Cl)c([N+](=O)[O-])c1 16384478 GJJNJCRMGNHFKI-UHFFFAOYSA-N 488.875 4.230 5 40 JIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 33621365 IFQNNTZCQUHBBD-UHFFFAOYSA-N 451.822 4.066 5 40 JIBB CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 197559778 QAGOUYDLUJRCLF-UHFFFAOYSA-N 489.937 4.481 5 40 JIBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 9158216 QNFZZDMHSGQHDB-BEFAXECRSA-N 485.290 4.188 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2[N+](=O)[O-])cc1 9226678 ZAWZEQQLBLNOIA-QGZVFWFLSA-N 469.519 4.216 5 40 JIBB CCCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 9359499 KRBAVGGTTWGTMO-RCZVLFRGSA-N 460.534 4.341 5 40 JIBB biogenic Cc1ccc(S(C)(=O)=O)cc1NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12563669 BCYJEMZFZIVOQH-UHFFFAOYSA-N 485.484 4.181 5 40 JIBB COc1ccc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)c([N+](=O)[O-])cc1C 14271068 SCRDSGUSZGPALC-UHFFFAOYSA-N 458.721 4.455 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20080111 OVSIARYNMALIOU-KIHHCIJBSA-N 483.455 4.132 5 40 JIBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(-c3ccccc3)nc(C)c2=O)cc1 101313893 YLRHICJFRDALGB-UHFFFAOYSA-N 456.458 4.377 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260951482 YGLLIGFXMILIQI-NQIIRXRSSA-N 461.584 4.250 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409008918 AGLFZTWUYMCKEU-CIAFOILYSA-N 477.448 4.414 5 40 JIBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc([N+](=O)[O-])ccc3Cl)C2=O)cc1 409093500 ADEFOZABMALERG-LICLKQGHSA-N 461.883 4.322 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13714144 FUSSFLYMQUTXSK-NJDAHSKKSA-N 494.301 4.408 5 40 JIBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1Br 14269926 ROYVHSNYNUNRSY-UHFFFAOYSA-N 463.357 4.393 5 40 JIBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)c(F)c1F 14271081 NJGWRRDTYVCTDJ-UHFFFAOYSA-N 451.785 4.248 5 40 JIBB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 16915371 PVRKXWQLFWRZDX-UHFFFAOYSA-N 482.543 4.278 5 40 JIBB COc1ccc(N(CC(=O)N[C@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 22518574 KXSSPVHOPLTKDF-LJQANCHMSA-N 497.573 4.293 5 40 JIBB CCn1c(CNc2cc([N+](=O)[O-])ccc2C)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 30285058 WKDZJLHMBQYAED-UHFFFAOYSA-N 457.556 4.060 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 33405871 CAHQPCBBYHCAHB-WTNMVAAHSA-N 478.461 4.491 5 40 JIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@@H](c1ccccc1)N1CCN(c2ccccc2O)CC1 58158783 XQPADSAIBBLVEV-HSZRJFAPSA-N 466.925 4.456 5 40 JIBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223181847 WAQJEZYRRINTSE-RUZDIDTESA-N 459.546 4.222 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408570082 YPLAPUSNCQBVQH-NXDAVNMYSA-N 473.529 4.233 5 40 JIBB CN(C)c1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 986718 VXKUPOLTESQFIX-UHFFFAOYSA-N 481.310 4.410 5 40 JIBB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4)cc3n2)cc1 8831199 RRVHKBBSXRFASY-UHFFFAOYSA-N 460.519 4.326 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c([N+](=O)[O-])c1 9096072 ZPBGDQQGBZEDGV-UHFFFAOYSA-N 477.502 4.288 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@@H](C)C5)c1 9345980 AFQDSJRUOSUSRE-CYBMUJFWSA-N 463.592 4.151 5 40 JIBB C[C@@H]1CCc2c(sc3nc(Sc4ccc(C(N)=O)cc4[N+](=O)[O-])n(Cc4ccco4)c(=O)c23)C1 9960394 ISWZNLPRDPQZSN-GFCCVEGCSA-N 496.570 4.382 5 40 JIBB CC(=O)N1CCc2c(sc3nc(SCc4ccc([N+](=O)[O-])cc4)n(Cc4ccco4)c(=O)c23)C1 12415288 WYFSDOAPOUPAPQ-UHFFFAOYSA-N 496.570 4.204 5 40 JIBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223648637 KKGHBMCXSZWCCU-OAQYLSRUSA-N 471.554 4.014 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223744555 LQJCLDGWFCMHJT-FCHUYYIVSA-N 466.519 4.176 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 409144779 GOWIXVMHSXZQJK-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 409180092 WKAHOPMXMNWFGO-UHFFFAOYSA-N 486.278 4.050 5 40 JIBB COc1cccc(-n2c(S[C@@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 3477807 QKGHKPFYDUQRCA-HNNXBMFYSA-N 476.514 4.422 5 40 JIBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1[N+](=O)[O-] 8921967 DYERCKXFIADWDV-XMMPIXPASA-N 466.877 4.264 5 40 JIBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 9011940 QNFZZDMHSGQHDB-KXBFYZLASA-N 485.290 4.188 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)C[C@@H](C)CC5)cc1 9344590 LECZTLUCRLCBKS-ZDUSSCGKSA-N 463.592 4.151 5 40 JIBB Cc1ccc([N+](=O)[O-])c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2N)c1C 9666123 ZFOKIKZZQSJZQR-UHFFFAOYSA-N 467.338 4.222 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 12552313 TZJFJBYEFISRTD-UHFFFAOYSA-N 478.486 4.205 5 40 JIBB Nc1ccc(C(=O)OCc2nc3scc(-c4ccc(Cl)cc4)c3c(=O)[nH]2)cc1[N+](=O)[O-] 12557421 PLOCXRDEVOUZQX-UHFFFAOYSA-N 456.867 4.152 5 40 JIBB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cnc([N+](=O)[O-])c2)cc1 12558998 NTUJLCUKZLZMRJ-HSZRJFAPSA-N 455.474 4.331 5 40 JIBB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c(C)c1 13879488 HGCPYSDTRFNSOG-UHFFFAOYSA-N 461.931 4.303 5 40 JIBB CCN(CC)COC(=O)c1ccc(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)cc1 27397312 GBTGYKZLRZLMIQ-UHFFFAOYSA-N 479.537 4.165 5 40 JIBB O=C(NCCCOc1ccccc1F)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32802384 OVYKLMUQKUKNES-UHFFFAOYSA-N 470.423 4.053 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]12 408684172 MXPRINRBXGRWNC-ZTQAJYAQSA-N 453.882 4.003 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1Cc1cccs1 1876034 BEYDZVTUTKXCEK-XUZZJYLKSA-N 472.526 4.023 5 40 JIBB biogenic O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 1892364 HVLCBQDVTRVCHD-URXFXBBRSA-N 472.526 4.023 5 40 JIBB biogenic COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 9285214 VQURIKNBUNXCOS-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408676575 ATONZVDVDGJPPW-SJLPKXTDSA-N 498.879 4.055 5 40 JIBB COc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)cc1 408985970 LGWXRQBHTLRERD-DEDYPNTBSA-N 474.425 4.176 5 40 JIBB COc1cc2nc3ccc(NC(=S)Nc4ccc(N5CCOCC5)cc4)cc3nc2cc1OC 408996264 LTEOKEPYDSHBQC-UHFFFAOYSA-N 475.574 4.446 5 40 JIBB COc1ccc2c(c1)c(=O)oc1c(C)c(OC(=O)[C@H](C)NC(=O)OCc3ccccc3)ccc12 2094599 XHFPIVPCABDRMP-INIZCTEOSA-N 461.470 4.484 5 40 JIBB biogenic Cc1cc(C(=O)COC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)c(C)n1Cc1ccc2c(c1)OCO2 2654734 LFDDHJKGZFEAAG-UXBLZVDNSA-N 462.458 4.229 5 40 JIBB C[C@@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8723608 ANPZIIWYSJZQIG-LLVKDONJSA-N 470.898 4.202 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(OCc2csc(-c3ccc(F)cc3)n2)c([N+](=O)[O-])c1 8882789 RNLFPIRZNDNOPG-UHFFFAOYSA-N 465.528 4.467 5 40 JIBB O=C(Cc1cccc2ccccc12)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9363704 LECXOWZDQSJDNT-UHFFFAOYSA-N 453.501 4.219 5 40 JIBB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222460298 RKOLQDBTWNDKCO-JOCHJYFZSA-N 457.596 4.468 5 40 JIBB CCCCNC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736695 FSGIIFBZGGYIGQ-DEOSSOPVSA-N 459.546 4.371 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 409120858 WLWUSBBBTIZUNR-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB CCc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 409137089 TWNORYDKWWHALF-OAQYLSRUSA-N 496.593 4.144 5 40 JIBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 2411961 JDQLDTKEASDUES-HNAYVOBHSA-N 485.290 4.188 5 40 JIBB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1 9285205 TXRFJGNQSAMEBE-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 166170203 BCJUNQRAKNSGCJ-QKSFETHESA-N 465.534 4.227 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223047186 IJVFFHJYZTZKGA-IBGZPJMESA-N 457.596 4.470 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223148454 WMMODSOSPVRREZ-HZPDHXFCSA-N 476.371 4.232 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)c1 409095417 BBIPXLSPAQUMQQ-YBFXNURJSA-N 480.864 4.348 5 40 JIBB CCOC(=O)c1cccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)c1 2253208 AYLLLEFNKHEYER-UHFFFAOYSA-N 455.518 4.425 5 40 JIBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2-c2ccc(F)cc2)cc(OC)c1OC 2330721 XFEDFMXTOVZQDB-UHFFFAOYSA-N 487.487 4.070 5 40 JIBB O=C1N(c2ccccc2)C(=S)N=C(O)[C@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12 8814965 FZCCZLXWUCTEQF-AUSIDOKSSA-N 450.520 4.175 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 14273543 POQPCHPBVANHHF-UHFFFAOYSA-N 454.870 4.056 5 40 JIBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccc(OC(F)F)c(Cl)c1 62350774 CQHKIWZMUXUXMR-UHFFFAOYSA-N 491.882 4.159 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 224857127 OGUNOFZYOVQDAJ-UHFFFAOYSA-N 459.568 4.180 5 40 JIBB C[C@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)Nc1cccc([N+](=O)[O-])c1 3295923 AKRPRFUJNQYRSG-HNNXBMFYSA-N 486.513 4.061 5 40 JIBB COc1ccc(OC)c(Nc2nc(N)c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)n2)c1 9313374 WAMBEZWKUUASPM-UHFFFAOYSA-N 464.526 4.187 5 40 JIBB O=c1c2ccccc2nc(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)n1Cc1ccco1 13149741 UEAATLFHHOQAPB-UHFFFAOYSA-N 461.459 4.288 5 40 JIBB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c1 20153198 WZHGGFHJZDFQCR-UHFFFAOYSA-N 462.915 4.064 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102419162 WQINVMRNNQWEQM-RKOMNEFPSA-N 481.343 4.209 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c(OC)c1 408563120 IYAPUYKOSKSKNF-UHFFFAOYSA-N 491.909 4.319 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 408572209 HJJCZDDWVHJUFI-VMPITWQZSA-N 478.332 4.440 5 40 JIBB C[C@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13163572 UCNBXCUJRZVMKH-AWEZNQCLSA-N 474.901 4.063 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13813749 FMGTUNYTVQMLOI-DUOVIKOCSA-N 486.553 4.117 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 33688961 GCHQLYYKGVMITP-UHFFFAOYSA-N 475.910 4.375 5 40 JIBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NCc3ncc(-c4ccccc4)[nH]3)c([N+](=O)[O-])c2)C1 58167351 LURQFAFNAGPZFF-MRXNPFEDSA-N 455.540 4.018 5 40 JIBB Cc1c(N(CCCC(=O)Nc2ccc(Cc3ccncc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224862004 SJPHDTBPQVGAGY-UHFFFAOYSA-N 482.562 4.074 5 40 JIBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3C)cc2)cc1 409177661 BQPMIKVYXUNJKW-UHFFFAOYSA-N 478.413 4.379 5 40 JIBB COc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)o2)c([N+](=O)[O-])c1 409365218 XQNFCBMMPVZSRE-UDWIEESQSA-N 485.518 4.158 5 40 JIBB O=C(O)c1ccc(C(c2ccc(C(=O)O)c([N+](=O)[O-])c2)(C(F)(F)F)C(F)(F)F)cc1[N+](=O)[O-] 2529859 HTFPTCABXGMXOB-UHFFFAOYSA-N 482.245 4.310 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3423637 BQABITWBJBABQR-UHFFFAOYSA-N 457.471 4.215 5 40 JIBB COc1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(-c2nnc3c4ccccc4c(C)nn23)c1 9327822 WEJAXQCDJVMQGJ-UHFFFAOYSA-N 454.446 4.422 5 40 JIBB CCOc1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc(Br)n2)(C4)C3)c([N+](=O)[O-])c1 102833460 WCNPJMZFAZMTON-RKOMNEFPSA-N 490.358 4.282 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408575367 WARAJLZLQPAGLZ-MAYPLETRSA-N 491.519 4.372 5 40 JIBB COc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Br)cc3n2)cc1 986708 FCAPABFOKQGYRK-UHFFFAOYSA-N 468.267 4.352 5 40 JIBB CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2cccc([N+](=O)[O-])c2)C1=O 2093837 PGMOCGZDIZXQEI-DHLKQENFSA-N 460.534 4.341 5 40 JIBB biogenic COc1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2364892 WIDOUOOHKIMOGG-UHFFFAOYSA-N 455.426 4.135 5 40 JIBB CC1CCN(c2ccc(C(=O)Nc3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)cc2[N+](=O)[O-])CC1 12731035 ZABDMNVIIJQBMD-CALCHBBNSA-N 473.599 4.149 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 14401760 UGEWINXLCOCYCJ-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB O=C(NC[C@@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 15881997 IDDGRQDZFPFVQW-SFHVURJKSA-N 450.925 4.255 5 40 JIBB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1 20004739 UOJOLEIZSRCWHX-JOCHJYFZSA-N 467.547 4.048 5 40 JIBB CC[C@@H](Sc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)C(=O)NCc1cccnc1 20643403 UMQVRIPFMDSBJA-OAQYLSRUSA-N 499.556 4.435 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222997907 APTOSPPWTWEFIO-LJQANCHMSA-N 457.596 4.470 5 40 JIBB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)S2)cc1 408778354 FCWJMQOTXWOMSQ-YHTSIIMFSA-N 450.314 4.225 5 40 JIBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccc([N+](=O)[O-])cc3)cc2)c1 9191908 DZMGZMXICNHONB-KRWDZBQOSA-N 469.519 4.418 5 40 JIBB Cc1c(C(=O)NC[C@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cccc1[N+](=O)[O-] 78742879 LZCUMGTYUBZKET-FQEVSTJZSA-N 462.462 4.021 5 40 JIBB CCn1c(=N)c(-c2nc(-c3ccccc3)c(NC(C)=O)s2)cc2c(=O)n3cccc(C)c3nc21 101908394 VRMKPMKICWWCBU-UHFFFAOYSA-N 470.558 4.206 5 40 JIBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223228318 OAOLBDYIWOQXRV-VWLOTQADSA-N 459.546 4.222 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409018628 XJUJUQFXZASVBF-XLTHYULKSA-N 486.502 4.170 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)cc1 8815783 AEVRUSVJLQLQHL-OEAKJJBVSA-N 486.484 4.014 5 40 JIBB O=C(COc1ccc([S@](=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 9082904 SCJSPFWMWOSZIY-SSEXGKCCSA-N 456.320 4.259 5 40 JIBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@@H]1c1ccccc1[N+](=O)[O-] 9638132 BILMHKGDZUDXDE-OAQYLSRUSA-N 472.461 4.383 5 40 JIBB Cc1cccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c1 17122760 WLTBZQLVOCBCAC-UHFFFAOYSA-N 477.498 4.449 5 40 JIBB Cc1c(NC(=O)CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 33364507 NVTYQEZFPDAMKV-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cc([N+](=O)[O-])cc4c3OCOC4)cc2)cc1 36773035 HDYUGAFRPORADR-UHFFFAOYSA-N 470.503 4.174 5 40 JIBB CCOc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1[N+](=O)[O-] 57317280 FZJYFMKZRRINQR-UHFFFAOYSA-N 461.799 4.166 5 40 JIBB CCCCOC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408668574 UYQUZTWTUXPAEY-UHFFFAOYSA-N 499.520 4.151 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408685663 PTJHMGOMAJLQSC-CCKFTAQKSA-N 455.898 4.227 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409018674 XPGPEQYNWVLXTB-JSJZUPIVSA-N 450.856 4.496 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(Cl)c2)cc1 409025996 DACKUJHWTHUHAI-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COc1ccc(O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 2740484 VNZOFMKJRVGSMJ-XZOQPEGZSA-N 450.447 4.156 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(I)cc3)o2)c([N+](=O)[O-])c1 9200461 WRBIOFBQPRVTHJ-UHFFFAOYSA-N 496.286 4.289 5 40 JIBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccccc3OC(F)F)cc2[N+](=O)[O-])C1 15910544 PUAQUOYMLDSAKT-GASCZTMLSA-N 477.464 4.474 5 40 JIBB O=C(CSCCOCCSCC(=O)c1cccc([N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 16399767 KTFGCAUGMZNHGM-UHFFFAOYSA-N 464.521 4.052 5 40 JIBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12 35808593 HBGGKGURYXIKLC-SNYIIPAISA-N 462.893 4.019 5 40 JIBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223456581 MDLBNBHZIKYNBT-XMMPIXPASA-N 463.509 4.053 5 40 JIBB CC(C)c1ccccc1OCCNC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 223752432 GHEKJPKVGXRSFD-UHFFFAOYSA-N 497.573 4.109 5 40 JIBB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 260941176 RHDVBXFWYOGHCZ-IRXDYDNUSA-N 477.583 4.067 5 40 JIBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)Nc3ccccc3)cc2Cl)cccc1[N+](=O)[O-] 408593182 PLDBEXKUVMYDKW-UHFFFAOYSA-N 475.910 4.375 5 40 JIBB COC(=O)c1cc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc([N+](=O)[O-])c1 3245292 WBZXXXFQHZVREU-UHFFFAOYSA-N 461.641 4.137 5 40 JIBB CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3302912 RJPYNQGUVCOLRZ-UHFFFAOYSA-N 460.895 4.430 5 40 JIBB C[C@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3304825 XEZODZKCAUCJQC-INIZCTEOSA-N 457.446 4.027 5 40 JIBB Cc1c2oc3c(C)ccc(C(=O)NCCC(C)C)c3nc-2c(C(=O)NCCC(C)C)c(N)c1=O 5080788 FXVXIPKZQCGODX-UHFFFAOYSA-N 466.582 4.044 5 40 JIBB COc1ccc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2NCc2ccccc2)cc1OC 9739485 AMEBVQYRDZOIAS-UHFFFAOYSA-N 450.447 4.264 5 40 JIBB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 15021535 ZLVZHFCDTCRQFM-HSZRJFAPSA-N 451.504 4.452 5 40 JIBB CCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 24992285 XGCRJYHUZOJQPZ-UHFFFAOYSA-N 481.505 4.170 5 40 JIBB Cc1ccc2oc3cc(NCCCN4CCN(C)CC4)c4c(=O)c5ccccc5c(=O)c4c3[nH]c2c1 101061728 HAYSTKBWILZNGM-UHFFFAOYSA-N 482.584 4.299 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223088837 HIBRNLCWPGBILW-IAGOWNOFSA-N 461.559 4.299 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224440727 DOCXMFJWPFDZJN-GOSISDBHSA-N 452.338 4.388 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225580934 JUVKUSHGRYMJOP-NQIIRXRSSA-N 471.554 4.013 5 40 JIBB CC(C)n1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)c2ccc([N+](=O)[O-])c(=O)n2C3)c2ccccc21 524731677 HDFVPOZDKGFBHG-AZUAARDMSA-N 462.550 4.261 5 40 JIBB biogenic CN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9546311 RVRLRXZYIAZVST-UHFFFAOYSA-N 459.911 4.321 5 40 JIBB CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101130521 INKGUAIAJDNUEY-ZRBLBEILSA-N 461.449 4.347 5 40 JIBB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br 102179643 HVYLUEKBCIARCL-DCAQKATOSA-N 490.148 4.428 5 40 JIBB CCOc1c(I)cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1OC 408619569 JHADJINKRCTAIL-UHFFFAOYSA-N 456.236 4.167 5 40 JIBB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408641149 KTXYJZPXIAQTOC-NSHDSACASA-N 452.692 4.311 5 40 JIBB CC1(C)c2cc([N+](=O)[O-])ccc2N(CCO)[C@]12C=Cc1cc(Br)cc([N+](=O)[O-])c1O2 9185655 OIAJEQMRFXNXOB-FQEVSTJZSA-N 476.283 4.158 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 13115403 KWRPERGCUJLPOE-UHFFFAOYSA-N 456.505 4.050 5 40 JIBB O=C(COC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2)Nc1ccc([N+](=O)[O-])cc1 25139916 OSQGMUSIVIBCMB-UHFFFAOYSA-N 496.523 4.497 5 40 JIBB C[C@H]1CCCN(S(=O)(=O)c2ccc(NCc3ncc(-c4ccccc4)[nH]3)c([N+](=O)[O-])c2)C1 58167352 LURQFAFNAGPZFF-INIZCTEOSA-N 455.540 4.018 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223740521 KTWXYDJBSVGEJE-DHIUTWEWSA-N 496.545 4.184 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408684242 NCTCPQNBDATIKO-HEFCMCLBSA-N 453.882 4.003 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408689205 XVCJYJPIFMRGPH-VOBQZIQPSA-N 453.882 4.003 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3ccc([N+](=O)[O-])cc3)C2=O)cc1 409021990 HGLGVTYFMAMUGC-HYARGMPZSA-N 486.484 4.014 5 40 JIBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2cccc([N+](=O)[O-])c2)N1C[C@H]1CCCO1 2411959 JDQLDTKEASDUES-DNVCBOLYSA-N 485.290 4.188 5 40 JIBB Cn1c2ccccc2c(=O)c2c1nc(-c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)n1c3ccccc3nc21 6150985 HMRXHYDBEOPGFA-UHFFFAOYSA-N 466.413 4.371 5 40 JIBB O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCn2c1nc1ccccc12 29374977 ZXDOELFWFKBELF-UHFFFAOYSA-N 459.428 4.227 5 40 JIBB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 89459682 SBLXJLWMENKGER-UHFFFAOYSA-N 467.931 4.074 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408676662 BCKWBEWAEZYNJY-JSNMRZPZSA-N 455.898 4.227 5 40 JIBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1 408921046 BVKJJVKLDGZCTD-MKMNVTDBSA-N 467.503 4.365 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409166641 FPBHWVNGMPWCGQ-NRFANRHFSA-N 496.593 4.373 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1[N+](=O)[O-] 409354887 AKFYSDQAHZSJFS-CAOOACKPSA-N 461.883 4.240 5 40 JIBB O=C(Cc1c(Cl)cccc1Cl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 3428652 VJXCZORAZLDTNI-UHFFFAOYSA-N 472.331 4.372 5 40 JIBB CC1(C)[C@@H](C(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)[C@@H]1C=C(Cl)Cl 8952581 FPFQVQKYBIUHDQ-SMDDNHRTSA-N 476.363 4.414 5 40 JIBB Cc1ccc(N2CCN(CCc3nc4cc(NC(=O)c5cccc([N+](=O)[O-])c5)ccc4n3C)CC2)cc1 9016022 TYWMUAVRCGJEHR-UHFFFAOYSA-N 498.587 4.407 5 40 JIBB O=C(CCN1CCN(Cc2ccccc2)CC1)N1N=C(c2ccccc2)C[C@H]1c1cccc([N+](=O)[O-])c1 17179105 VTBWKUVXXSMHPR-NDEPHWFRSA-N 497.599 4.480 5 40 JIBB O=C(c1cnn(-c2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2[N+](=O)[O-])c1)c1ccccc1O 33422183 ZFVVNQCVOMJQPE-UHFFFAOYSA-N 498.904 4.171 5 40 JIBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 33713635 FKLVWAUJEWPLQA-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB O=[N+]([O-])c1cc2c(Nc3ccc(F)c(Cl)c3)ncnc2cc1OCCCN1CCOCC1 38453398 QVZKEQDJKMFEDU-UHFFFAOYSA-N 461.881 4.175 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc(Cl)c1OCc1ccc([N+](=O)[O-])cc1 409145455 IJDJBQSZRUAQFJ-RQZCQDPDSA-N 492.893 4.347 5 40 JIBB O=C(c1cc(S(=O)(=O)N2CCc3ccccc3C2)ccc1Cl)N1CCc2ccc([N+](=O)[O-])cc21 9337815 WCUXZKLRTUJJGQ-UHFFFAOYSA-N 497.960 4.198 5 40 JIBB CCc1cc2c(COC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc(=O)oc2cc1O 12547035 OFQHZQAWSDJLTF-UHFFFAOYSA-N 452.463 4.317 5 40 JIBB COc1cc(COC(=O)C2CCN(c3nc4ccccc4o3)CC2)c([N+](=O)[O-])cc1OC(F)F 14147738 OBFSXALTEYXYGB-UHFFFAOYSA-N 477.420 4.306 5 40 JIBB Cc1cc(C)n(-c2ccc(CNC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)c(C(F)(F)F)c2)n1 60084527 MHVFYROBKWVLJF-UHFFFAOYSA-N 463.372 4.254 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(F)cc1)[C@@H]1CCCN12 408569397 WMLUTYDPNLNKFG-UQBYDPJISA-N 473.504 4.459 5 40 JIBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c2ncc(C(=O)c3cc(Br)ccc3O)cc12 984707 CYJZPDNSARKMAE-UHFFFAOYSA-N 453.252 4.336 5 40 JIBB CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1-c1ccccc1)N(C)C 2626306 XPGIXQGFDARFGV-GOSISDBHSA-N 454.556 4.227 5 40 JIBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 8832561 YIRZSUKLUSZROW-UHFFFAOYSA-N 468.897 4.429 5 40 JIBB C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1Cc1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1 9059420 GAJZIZWZJNSERI-CQSZACIVSA-N 465.491 4.320 5 40 JIBB Cn1cnc([N+](=O)[O-])c1N1CCN(C(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 9467778 FUYCRTCPAGGGEV-UHFFFAOYSA-N 482.953 4.221 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1[N+](=O)[O-] 16124696 ITXGBVQGJITQFR-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB Cc1ccc(CNC(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)cc1 58047151 BHRNPQYGAFLEAN-UHFFFAOYSA-N 467.554 4.022 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223549564 ZVAXKVUYQXZYGO-PKTZIBPZSA-N 456.531 4.348 5 40 JIBB CCc1nnc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)O)o1 408630793 CSTYZBZQQQLVJA-WQRHYEAKSA-N 457.464 4.346 5 40 JIBB COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409243359 VWCKTLWTAOOSDC-DEDYPNTBSA-N 458.492 4.255 5 40 JIBB O=C(N[C@H](C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC1c2ccccc2-c2ccccc21 2583178 XGUOKHSBJCERPQ-NRFANRHFSA-N 463.402 4.167 5 40 JIBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 9373151 JUWNASMMXKJIGP-UHFFFAOYSA-N 486.834 4.448 5 40 JIBB CCn1c(-c2ccccc2)c(C(=O)COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)c2ccccc21 12645807 GTINNERGPDEHHS-UHFFFAOYSA-N 460.490 4.476 5 40 JIBB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@@H]1c1ccc([N+](=O)[O-])c(Cl)c1 12859322 FFNJPLCXHCFOMY-HNNXBMFYSA-N 458.879 4.081 5 40 JIBB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 40149313 IYHRRCLCHQPQKB-VAMGGRTRSA-N 464.632 4.001 5 40 JIBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222750623 DENFRBBDLFBAIG-SFHVURJKSA-N 457.596 4.468 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224754435 KMFRTQVUBKBLCG-LJQANCHMSA-N 483.565 4.157 5 40 JIBB COc1ccc(C(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408688696 WVWWSVVXTVWQRN-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1cc([N+](=O)[O-])ccc1F 2651025 QAZDYVQRDCNRIR-UHFFFAOYSA-N 452.265 4.012 5 40 JIBB O=C(CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12)NCc1ccccc1 2968981 FIHZFOYCZGHWBL-UHFFFAOYSA-N 470.514 4.261 5 40 JIBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1nc2ccccc2s1 3362650 OVENQBQVEKNQRG-INIZCTEOSA-N 479.967 4.453 5 40 JIBB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 9064647 YWTCFAWRLXIZAV-UHFFFAOYSA-N 455.540 4.060 5 40 JIBB COc1ccc(OC)c(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc(N)c2[N+](=O)[O-])c1 9161353 ZDNBTNVLABDBPL-UHFFFAOYSA-N 464.526 4.187 5 40 JIBB Cc1ccc2nc(-c3cccc(NS(=O)(=O)c4cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c4)c3)cn2c1 9327449 RDNPYUKAJRWTFS-UHFFFAOYSA-N 467.463 4.235 5 40 JIBB COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1 9368787 MEPHAUMJQHOQNZ-UHFFFAOYSA-N 472.435 4.086 5 40 JIBB O=C(NC1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1 13150633 LGDQSBQAGGKOEH-UHFFFAOYSA-N 458.518 4.154 5 40 JIBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(Cc2cccc3ccccc23)CC1 15092612 ZFCIUSOICFKITO-UHFFFAOYSA-N 454.324 4.469 5 40 JIBB COc1ccc([C@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 22456768 LFNHSCMKUDBMQY-IBGZPJMESA-N 451.504 4.195 5 40 JIBB COC(=O)C(Cc1cccc(C(F)(F)F)c1)(C(=O)OC)c1ccc(C(F)(F)F)cc1[N+](=O)[O-] 1386263 DHYCLORNUBSSIV-UHFFFAOYSA-N 479.329 4.459 5 40 JIBB O=C(N/C(=C\c1ccc(Br)cc1)C(=O)N1CCCCC1)c1ccc([N+](=O)[O-])cc1 13562215 VGHUUCQKUKWJAV-RGEXLXHISA-N 458.312 4.141 5 40 JIBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408568996 VNRZVZIGADVURK-RBYFDUNASA-N 485.540 4.329 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 409115713 NWIYFFSNRKWLED-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2072217 FFRBKZNXLKANHJ-UHFFFAOYSA-N 498.473 4.473 5 40 JIBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 9443578 KZUXUVSUVAVCBN-QHCPKHFHSA-N 458.474 4.440 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9606057 ZJFQFMFXVDKDLP-OAHLLOKOSA-N 450.447 4.448 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c1 13787923 WFWHOMVDKSSNJY-FKBYEOEOSA-N 479.876 4.308 5 40 JIBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(C(=O)O)c(Cl)c2)CC1 20153266 LEISJHYNVZHIAJ-UHFFFAOYSA-N 476.942 4.310 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1OC[C@H]1CCCO1 21843761 VERDINRGIQNJQI-LJQANCHMSA-N 482.514 4.238 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1cccc2ccccc12 101176657 CONVNRYVJYDNRA-ZXPTYKNPSA-N 494.551 4.376 5 40 JIBB O=C(NCc1cccc(CN2CCOCC2)c1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224707093 LWJODRDTUFLBTA-NLRVBDNBSA-N 457.530 4.284 5 40 JIBB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225720855 BSLJJHZTFUJEBI-JOCHJYFZSA-N 457.596 4.468 5 40 JIBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409182897 PUBHKQQTVYBVIX-JOCHJYFZSA-N 478.844 4.012 5 40 JIBB O=C(OCCc1cc([N+](=O)[O-])c(CCOC(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccc1 3844724 VHUCNWXTWLPSAE-UHFFFAOYSA-N 464.430 4.302 5 40 JIBB biogenic CSCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 12890008 ILTDUHWJUJIFPE-OAHLLOKOSA-N 459.520 4.204 5 40 JIBB biogenic Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl 22744776 ZBDJVIRWKKCKOO-UHFFFAOYSA-N 486.903 4.412 5 40 JIBB O=C(NN1C(=O)c2ccccc2N[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 1438625 OIMNDRIMRFNDLJ-IBGZPJMESA-N 467.279 4.269 5 40 JIBB O=C(NC(NNc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F)c1ccccc1Cl 8445302 SHJYNUFRPBPURH-UHFFFAOYSA-N 456.730 4.416 5 40 JIBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1ccc2c(c1)OCO2 8792146 NCFRCWULVZYMPU-UHFFFAOYSA-N 463.449 4.338 5 40 JIBB biogenic CCc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1OC 8836075 ZUEJWRBOOUXXRM-GOSISDBHSA-N 469.545 4.093 5 40 JIBB COc1cc(CN(C)c2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])ccc1OC(F)F 9493020 VBZXGQBKOOZVBG-UHFFFAOYSA-N 485.509 4.016 5 40 JIBB Cc1c(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 10128791 VPLZTVXOWNLJOB-HXUWFJFHSA-N 473.938 4.085 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19820120 QXPRZJTWGBCSSM-XZOQPEGZSA-N 470.485 4.260 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101075914 WBNRSNDIXOEGFN-HKBOAZHASA-N 494.301 4.408 5 40 JIBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NCC(C)C)cc1 224456330 QFQABJNHJLAIKS-GOSISDBHSA-N 473.595 4.026 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408685645 PQKDUWCFRHBIRL-HFTRVMKXSA-N 455.898 4.227 5 40 JIBB CCCN1C(=O)N/C(=C/c2cc(OC)c(OCc3ccc([N+](=O)[O-])cc3)cc2Br)C1=O 409250174 PZHOEGZDZTVVPH-RQZCQDPDSA-N 490.310 4.248 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N(C)Cc2ccc3ccccc3c2)CC1 12776249 QDBSYMJPICASMG-UHFFFAOYSA-N 481.574 4.116 5 40 JIBB Cc1ccc(NC(=O)CSc2ccc(N3C(=O)[C@H]4CC=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 13579785 UEHLQUMFSONSCU-KDURUIRLSA-N 451.504 4.090 5 40 JIBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1cc(Cl)ccc1Cl 57452434 BJWLFGFAIFOWPP-UHFFFAOYSA-N 460.321 4.211 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1C=Cc3ccccc3[C@@H]21 103930950 TUVIACLWIODXFI-NDBXHCKUSA-N 479.492 4.302 5 40 JIBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 139630616 WPXFPJLCMZSXEQ-QKSFETHESA-N 465.534 4.227 5 40 JIBB O=C([C@@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2-c2ccccc2C1 522441099 OUTRQERVHPPXFJ-VWLOTQADSA-N 491.569 4.347 5 40 JIBB Cc1cc(C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)ccc1[N+](=O)[O-] 1810928 KNLZLYBZYGMCBA-UHFFFAOYSA-N 450.447 4.291 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cc1 9125844 MEVSBGWLLIDPAL-MRXNPFEDSA-N 456.351 4.070 5 40 JIBB CNS(=O)(=O)c1cc(/C=C/C(=O)OCc2nc3ccccc3c3ccccc23)ccc1OC 9127270 KNXCUEAIBDZBKD-WYMLVPIESA-N 462.527 4.061 5 40 JIBB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 14271278 HFUXAFSJYYBLLD-UHFFFAOYSA-N 469.567 4.451 5 40 JIBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 101076261 FCBMYJPMGQJIJY-FPOVZHCZSA-N 491.301 4.140 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 102732475 HVWIMHKWGKNUJZ-ACRUOGEOSA-N 494.301 4.408 5 40 JIBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223868660 XJKNQNHYILHVFY-KRWDZBQOSA-N 473.570 4.443 5 40 JIBB COc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408646837 IWSNDCIKUPXWQQ-HXUWFJFHSA-N 474.469 4.049 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408684295 NGFIUSLMHYDNDE-QZTJIDSGSA-N 474.300 4.410 5 40 JIBB O=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)cc3)cc2)S1 408737121 KDOLKISJYOOLEU-NDENLUEZSA-N 490.449 4.357 5 40 JIBB O=C(OCC(=O)N1CCOCC1)c1c2c(nc3ccccc13)/C(=C/c1ccc([N+](=O)[O-])cc1)CCC2 9612431 RQPWAWVIIVAIOE-KNTRCKAVSA-N 487.512 4.036 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 9714768 PDWOGNSNSWYVCV-UHFFFAOYSA-N 472.479 4.397 5 40 JIBB CNC(=O)NC(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 20894293 DFWYJZROCSZXMC-XOAFGZPJSA-N 488.500 4.021 5 40 JIBB Cc1c(C(=O)NC[C@@H](NC(=O)c2cccc([N+](=O)[O-])c2C)c2ccccc2)cccc1[N+](=O)[O-] 78742882 LZCUMGTYUBZKET-HXUWFJFHSA-N 462.462 4.021 5 40 JIBB O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 850384 CZUVNIFKZPKCFK-UHFFFAOYSA-N 459.487 4.273 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@@H]1CCS(=O)(=O)C1 8769752 KYZQSLKBUJYCKI-LJQANCHMSA-N 474.922 4.338 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCc4ccco4)cc3c3ccnc2c31 8792440 QYTFSNORNAZCEY-HNNXBMFYSA-N 497.507 4.286 5 40 JIBB biogenic CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 8874869 HMSOSYFPHFRSAZ-IBGZPJMESA-N 468.491 4.285 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(OC)c1 9282750 HDHQWCZFKKSMHI-UHFFFAOYSA-N 473.533 4.036 5 40 JIBB CCCCSc1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CC(C)(C)OC5 20083296 FWAFCGIEMHEJBK-UHFFFAOYSA-N 484.651 4.467 5 40 JIBB CC(=O)Oc1ccc2c(c1)Oc1cc(OC(C)=O)ccc1C21OC(=O)c2ccc([N+](=O)[O-])cc21 22064628 VYIGESZPYCCIHE-UHFFFAOYSA-N 461.382 4.013 5 40 JIBB in-vitro O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 408572271 HYPIXPJQUBHHQN-ACCUITESSA-N 462.531 4.091 5 40 JIBB COc1cc(OC)cc(-c2nnc(S/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)C(=O)O)o2)c1 408632494 JFKBBTJGSFEJRP-UDWIEESQSA-N 498.517 4.480 5 40 JIBB Cc1ccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408643166 FRRGTCWZXWDMDE-OAQYLSRUSA-N 458.470 4.349 5 40 JIBB CC[C@H](Sc1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095876 DMRKLKYSFKJULR-VQTJNVASSA-N 496.593 4.360 5 40 JIBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)c3ccccc3[N+](=O)[O-])scc12 9381421 GUDJKFFROXDQQM-UHFFFAOYSA-N 478.486 4.093 5 40 JIBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1[N+](=O)[O-] 9614477 KKYUIRMFZGVFLT-SANMLTNESA-N 460.486 4.228 5 40 JIBB O=[N+]([O-])c1ccccc1CNc1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc(F)cc1 9670964 LLTPNBSWVMRQKB-UHFFFAOYSA-N 487.509 4.159 5 40 JIBB Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C/C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 13135149 BQSBJBDNISDPLR-VAWYXSNFSA-N 463.425 4.343 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Oc2ccc([N+](=O)[O-])cc2-c2cccs2)cc1 15359181 ZSIAFYSMWTZSNR-UHFFFAOYSA-N 496.588 4.122 5 40 JIBB NS(=O)(=O)c1ccc(NCCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c([N+](=O)[O-])c1 23054886 WKFVYWQHGQNQDT-UHFFFAOYSA-N 490.925 4.129 5 40 JIBB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)oc2c1 32127307 ZKQZFWIZPUYBFB-UHFFFAOYSA-N 465.447 4.081 5 40 JIBB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)Cc2ccccn2)cc1[N+](=O)[O-] 48279469 BARHYHXPQMVKAP-UHFFFAOYSA-N 476.352 4.452 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)C1CCCCC1 103628752 JOQRDNYMGHFYIW-OLFWJLLRSA-N 476.577 4.339 5 40 JIBB COc1ccc(C(=O)[C@@H](OC(=O)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 409175317 ZDOIFFKOAPEJNP-SANMLTNESA-N 492.484 4.498 5 40 JIBB CC(C)OC(=O)c1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)c1 409370101 LAHUWGBINZPNTF-MSRUFZRRSA-N 482.492 4.037 5 40 JIBB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2094374 FETJSBWFVIXOCM-QHCPKHFHSA-N 495.553 4.316 5 40 JIBB biogenic C[C@@H](Sc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12)C(=O)Nc1cccc([N+](=O)[O-])c1 3295925 AKRPRFUJNQYRSG-OAHLLOKOSA-N 486.513 4.061 5 40 JIBB O=c1/c(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)sc2nc3ccccc3n12 6446978 OBLMDVZTNGTOCV-JAIQZWGSSA-N 460.427 4.066 5 40 JIBB CC(C)[C@H]1Cc2c(c(N3CCOCC3)nc3sc(-c4ccc([N+](=O)[O-])cc4)c(N)c23)CO1 9108688 FDXBVRDMXDKTLH-GOSISDBHSA-N 454.552 4.388 5 40 JIBB COc1cc(C(=S)N2CCCC2)cc(OC)c1OC(=O)c1ccc(Cl)cc1[N+](=O)[O-] 9553631 WBYPGHLVLSWLKM-UHFFFAOYSA-N 450.900 4.256 5 40 JIBB COC(=O)c1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)ccc1F 12608070 HDCXHPUGXOKWKE-UHFFFAOYSA-N 469.391 4.394 5 40 JIBB CCOc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)sc2c1 14269917 AHKDWWQGXXEDAV-UHFFFAOYSA-N 471.564 4.330 5 40 JIBB CC1CCN(c2ccc(C(=O)N3CCN(C(=O)c4cc5ccccc5o4)CC3)cc2[N+](=O)[O-])CC1 25240912 JHCYXZKPFLEQSY-UHFFFAOYSA-N 476.533 4.176 5 40 JIBB O=C1[C@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 101070633 GCJGOOWWYFJDCR-PZJWPPBQSA-N 491.301 4.140 5 40 JIBB CCOC(=O)[C@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N21 103644897 IUNUTYSLFQQAGK-MJTJJFPGSA-N 497.507 4.009 5 40 JIBB O=C1S/C(=C\c2ccc(O)c(I)c2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106728542 IAIGGSDNTKOQLR-NVNXTCNLSA-N 482.255 4.142 5 40 JIBB C[C@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 409238138 CHXMNKBHWQPPLH-KRWDZBQOSA-N 453.520 4.206 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2C)cc1 409311769 HVTIFYFTTLVHKN-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] 8921597 ICFHYPHRDCYMAC-XMMPIXPASA-N 495.329 4.407 5 40 JIBB COc1ccc(Cl)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)Cc1ccccc1 9227453 YUFWDFAPRTYZGK-UHFFFAOYSA-N 489.937 4.086 5 40 JIBB Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)cc1[N+](=O)[O-] 9368190 LPKZCLLXWXVOEN-UHFFFAOYSA-N 486.560 4.348 5 40 JIBB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2cccs2)cc1 9569314 CMKCAUACDSYIHR-LJQANCHMSA-N 480.951 4.263 5 40 JIBB O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 9668963 JNCIPOZJHPYAQO-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)NC(=S)N1 11219809 CKBJEWUHVNPFSW-JOCHJYFZSA-N 477.546 4.192 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1C 16311938 FKSVBSOGZPLCFX-UHFFFAOYSA-N 466.485 4.067 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101163583 GVXHWRNTKOGZCR-JVCXMKTPSA-N 486.572 4.374 5 40 JIBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OCC)c(OC)c2)cc1 408571117 NRIRGWIFVFRVQL-OAQYLSRUSA-N 458.540 4.492 5 40 JIBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408641866 DFVGTEFNXNJMKX-CQSZACIVSA-N 477.860 4.173 5 40 JIBB COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCC[N+]1([O-])CCOCC1 504133855 FIKOGZWCACSBHA-UHFFFAOYSA-N 462.909 4.288 5 40 JIBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])cc1OC 3341042 PLTBRICNMWHWSS-SECBINFHSA-N 476.791 4.468 5 40 JIBB Cc1cc(NC(=O)CNc2cc(C(F)(F)F)ccc2N2CCOCC2)c([N+](=O)[O-])cc1C 9492640 UOSMEPZCUDIHJP-UHFFFAOYSA-N 452.433 4.118 5 40 JIBB Cc1ccc(S(=O)(=O)C2=C(O)C(=O)N(c3ncc([N+](=O)[O-])s3)[C@H]2c2ccc(Cl)cc2)cc1 24193022 UHSJZORUAAFFQY-INIZCTEOSA-N 491.934 4.345 5 40 JIBB O=C(CC12CC3CC(CC(C3)C1)C2)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 33527906 ZGCFIFANPXXUEW-KEBDBYFISA-N 469.563 4.354 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36307744 FMGTUNYTVQMLOI-ZGXDEKTJSA-N 486.553 4.117 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1Cc1ccccc1 101231620 PXLWIKFINSBTIF-FKBYEOEOSA-N 463.877 4.295 5 40 JIBB CC(C)c1ccc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1 107564072 BUASXRYSCMGRHR-UHFFFAOYSA-N 466.582 4.436 5 40 JIBB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224705793 NEINYZSKYHIADV-INIZCTEOSA-N 488.382 4.376 5 40 JIBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224739315 YBEIYYAGDVQPEX-VWLOTQADSA-N 459.546 4.302 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 1892366 HVLCBQDVTRVCHD-QPPBQGQZSA-N 472.526 4.023 5 40 JIBB biogenic CCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccco4)c3)CC2)cc1[N+](=O)[O-] 9042753 VMXMABLXTFLYHX-UHFFFAOYSA-N 495.492 4.069 5 40 JIBB CCOC(=O)c1sc(NC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)nc1-c1ccccc1 12602670 WFXQOCXUFIZOJZ-CMDGGOBGSA-N 467.459 4.276 5 40 JIBB C[C@@H]1CCC[C@@](O)(CNc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C1 65547925 VTSGIJSRJQPPTH-VLIAUNLRSA-N 453.948 4.402 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 96791731 XUFBQHDQWQSUOO-HKBOAZHASA-N 467.840 4.438 5 40 JIBB C[C@H](NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 223840099 KUXNYIAMQDZXOO-CSUZIONRSA-N 450.516 4.416 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409093670 AZBRMUUXTALSNX-PVGUKEHMSA-N 486.502 4.170 5 40 JIBB Cc1c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)ccc2ccccc12 409356035 DQJCJHMTTXYWMI-UHFFFAOYSA-N 463.519 4.495 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc(Br)c1 409373280 SVNIKIXBOPUIFH-ZRDDSIGQSA-N 475.298 4.234 5 40 JIBB COc1cc(NC(=O)CN(C)CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)cc1[N+](=O)[O-] 9546022 XOIRXIYEIXBODJ-UHFFFAOYSA-N 488.850 4.093 5 40 JIBB COc1ccc([C@@H]2NC(=O)c3cnn(-c4ccccc4)c3N2)cc1COc1ccccc1[N+](=O)[O-] 9849976 SGVAKDZNDMBSCG-QHCPKHFHSA-N 471.473 4.222 5 40 JIBB COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424278 SWYLPRPLSXSGFU-UHFFFAOYSA-N 499.501 4.273 5 40 JIBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2Cl)CC1 14273394 JYDLBOKTHFVXEF-UHFFFAOYSA-N 451.310 4.213 5 40 JIBB O=C(CN1C(=S)N(c2ccccc2)C(=O)/C1=C\c1ccc2c(c1)OCO2)c1cccc([N+](=O)[O-])c1 28527082 SQVYMFJPAXJDFG-RGVLZGJSSA-N 487.493 4.181 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@@H]21 104165420 FHPNSECRCBHIPP-LRSLUSHPSA-N 459.502 4.034 5 40 JIBB Cc1ccc(C)c(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2)c1 225941803 DOJQPXCYOHQXFU-UHFFFAOYSA-N 467.547 4.084 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247359561 YZFQNJXDLGMXEG-YCAMKHIRSA-N 471.513 4.121 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408567108 PRSSRGAPVHVXOT-KMBZULAFSA-N 493.947 4.496 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1 2235657 FHSJOLPRYSEWQK-QORCZRPOSA-N 457.486 4.089 5 40 JIBB COC[C@@H](C)n1c(S[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 2619723 CFAWBFPDKNUHFH-OLZOCXBDSA-N 476.942 4.285 5 40 JIBB O=C(N[C@@H](OC[C@@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 9033497 DZCYACFALBXCCJ-JOQOYGCGSA-N 464.777 4.302 5 40 JIBB biogenic C[C@@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 14361524 ZYWOVKQKKBKGHW-SSDOTTSWSA-N 452.172 4.499 5 40 JIBB O=C(O)c1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1Cl 20153216 WPNGWYNZTGXAGN-UHFFFAOYSA-N 462.915 4.064 5 40 JIBB COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cc1-c1ccc(CO)o1 20153361 LLXXVWOUECBDSW-UHFFFAOYSA-N 496.545 4.083 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cccc(Cl)c1 102918910 BACVJMZJIJJEBN-XAYXJRQQSA-N 478.936 4.110 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225055811 SCXJMGRDACJFIR-MOPGFXCFSA-N 457.596 4.468 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)cc1 408624395 TZGJKJKMLCGWDO-UHFFFAOYSA-N 483.546 4.132 5 40 JIBB Cc1nc2ccccc2c2c(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)c3ccccc3n12 3305513 SSPQDJRIRSHADY-UHFFFAOYSA-N 458.543 4.452 5 40 JIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 8831794 DOGCBEAWNFSSCV-QHHAFSJGSA-N 451.266 4.172 5 40 JIBB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccco2)ccc1F 9569361 MRLNNMVACZWHFY-IBGZPJMESA-N 466.874 4.234 5 40 JIBB Cc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1 17041074 BZFOKAMDNBWADC-UHFFFAOYSA-N 477.498 4.449 5 40 JIBB CCC1(CC)C[C@@H](NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 225032086 SGXWQBDYXSZYBL-OAQYLSRUSA-N 489.594 4.340 5 40 JIBB CCOc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1 408574094 USHRDVUPHWRJSC-HXUWFJFHSA-N 474.539 4.110 5 40 JIBB Cc1nn(Cc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2730859 KTBNEBBUECJKMM-UHFFFAOYSA-N 462.898 4.089 5 40 JIBB CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 32803310 BDGIIEGHRVIIFA-CQSZACIVSA-N 479.459 4.165 5 40 JIBB O=C1S/C(=C\c2cc(I)c(O)c([N+](=O)[O-])c2)C(=O)N1c1ccccc1 408806324 AKTPBDYTUNQKLD-JYRVWZFOSA-N 468.228 4.146 5 40 JIBB CC(C)c1cc(I)ccc1NC(=O)CSc1ccc([N+](=O)[O-])cn1 409182137 IGJXOYHSEIPTKA-UHFFFAOYSA-N 457.293 4.449 5 40 JIBB CCN1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 8832665 ZVIRZBPSWCELFZ-UHFFFAOYSA-N 457.962 4.243 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 9720644 UYWOFSNIATWZHJ-INIZCTEOSA-N 485.518 4.189 5 40 JIBB Cc1nc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)ccc1Br 14270749 LXBIRIWGOWESEQ-UHFFFAOYSA-N 461.297 4.448 5 40 JIBB CC(C)(C)c1ccc(OCCOc2cccc(/C=C/c3nc(O)[nH]c(=O)c3[N+](=O)[O-])c2)cc1 33646297 RUTZSXOPKTWHIO-KPKJPENVSA-N 451.479 4.309 5 40 JIBB COc1ccc(Cl)cc1NC(=O)c1nn(C)c(C(=O)Nc2cc(Cl)ccc2OC)c1[N+](=O)[O-] 1072444 ZUOQXWXFVULSQL-UHFFFAOYSA-N 494.291 4.157 5 40 JIBB COCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2303044 AQWRCYSEIMRRTD-UHFFFAOYSA-N 478.350 4.391 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 8896518 VUMYNBWSFDJFHO-LBPRGKRZSA-N 490.607 4.042 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccc([N+](=O)[O-])cc1 9668102 PBBSFDRVSYZADZ-GIDUJCDVSA-N 456.502 4.209 5 40 JIBB COc1ccccc1-n1c(SCC(=O)NCc2ccc(F)cc2)nc2cc([N+](=O)[O-])ccc21 12600727 MMRSKZHMQLNWFE-UHFFFAOYSA-N 466.494 4.490 5 40 JIBB CSc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57524802 MJZTWPXXECRHNB-MRXNPFEDSA-N 451.552 4.014 5 40 JIBB CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 3643187 BKILPOAHRFAGAU-GOSISDBHSA-N 461.455 4.419 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCc4ccco4)nc2c31 8878519 LWKYWYHWLCDAMO-UHFFFAOYSA-N 453.454 4.132 5 40 JIBB biogenic Cc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12975138 NMCMRYPDWFZYMT-JOCHJYFZSA-N 460.442 4.153 5 40 JIBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 15913242 KZUXUVSUVAVCBN-HSZRJFAPSA-N 458.474 4.440 5 40 JIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccccc1NC(=O)C(Cl)(Cl)Cl 39766943 FGQHXSQQBHOVRZ-UHFFFAOYSA-N 470.656 4.206 5 40 JIBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408564853 GCXUDFRNJHDVJD-LNXUECGXSA-N 493.947 4.450 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)C1=O 409374586 UJXJGMKGBFJUPV-VCHYOVAHSA-N 455.492 4.204 5 40 JIBB Cc1ccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4cc([N+](=O)[O-])ccc4OC[C@H]2CS3)cc1 2659135 FEUOYRRSMVIZFB-ORAYPTAESA-N 469.544 4.011 5 40 JIBB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(OCC)c2ccccc12)c1cccc([N+](=O)[O-])c1 8856185 ZYDGJZFTOSGBGX-FQEVSTJZSA-N 472.519 4.120 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1 9127671 SBELGLUMBYJONF-UKRRQHHQSA-N 489.579 4.222 5 40 JIBB O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1cccc(I)c1 13924084 JXTULMYZTSALRF-QPEQYQDCSA-N 454.607 4.197 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 49871931 YZFQNJXDLGMXEG-CJRSTVEYSA-N 471.513 4.121 5 40 JIBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317232 SRILMZVOGHTRFS-UHFFFAOYSA-N 452.191 4.420 5 40 JIBB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225255032 MHASUJZVRGJYFT-NRFANRHFSA-N 461.559 4.301 5 40 JIBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(NC(C)=O)cc1 408674663 DVTMIYOGKSHZPY-UHFFFAOYSA-N 459.915 4.460 5 40 JIBB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)C(C)C)cc1 409175823 VIQMJMVCYIUXLJ-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB C[N+](C)(Cn1nc(Cl)c2ccc([N+](=O)[O-])cc21)Cn1nc(Cl)c2ccc([N+](=O)[O-])cc21 5648957 SLZALKAAVNMXEV-UHFFFAOYSA-N 465.277 4.201 5 40 JIBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1[N+](=O)[O-] 9190690 RNDMFISGLFKPIV-XMMPIXPASA-N 484.867 4.403 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c([N+](=O)[O-])c1 9963894 OUUUDPJSFODWLX-UHFFFAOYSA-N 465.491 4.234 5 40 JIBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccc(F)cc2)c1C 13424292 GJNPUCCMQYWDBO-UHFFFAOYSA-N 457.439 4.395 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409132608 JNGCEQKRRGOFOP-INIZCTEOSA-N 482.566 4.045 5 40 JIBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 409212678 PGUWVUZTHGFIGB-HVOBPNNYSA-N 487.490 4.169 5 40 JIBB CN1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c2)N3)C1 2326317 IUFXRPNIURFKLD-FQEVSTJZSA-N 481.490 4.199 5 40 JIBB CCCCn1c(NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C(=O)OCC)c2nc3ccccc3nc21 6172850 IZCRLVJJCZPBMM-UHFFFAOYSA-N 497.533 4.270 5 40 JIBB COc1cccc([C@H]2C3=C(N=c4s/c(=C/c5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 59678137 QQYLXLVEFQVJGO-GVMLUORFSA-N 495.560 4.236 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1Cc1ccccc1 101265570 JGMJWZMVMXJXCW-FSSWDIPSSA-N 463.877 4.295 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)cc1 408569776 XULXHVMPBUWADJ-JSAFGSNCSA-N 463.921 4.487 5 40 JIBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/C=C/c3ccccc3[N+](=O)[O-])C2=O)cc1 409108285 ZIYJEDKOLFUQFW-WYRDDRIESA-N 453.476 4.225 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409155016 IAJCAEMYPJHGMX-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB Cc1ccc(C)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)c1 409316619 ZURUARTXTAEPOT-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@H]1CCS(=O)(=O)C1 9166847 QYIMSLLWJNCPLA-KRWDZBQOSA-N 492.912 4.477 5 40 JIBB Cc1onc(-c2ccccc2)c1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9284627 UAERANGHOFKARL-UHFFFAOYSA-N 470.488 4.100 5 40 JIBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)scc12 9381425 AOQZIHKLHPHNDN-UHFFFAOYSA-N 492.513 4.401 5 40 JIBB COc1cc(NC(=O)C2=C(C)NC(=O)N[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)cc1Cl 9763142 LDVXTEDIAKAOOR-SFHVURJKSA-N 481.292 4.185 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 12741196 TVTMMEBQDOLORY-IBGZPJMESA-N 459.842 4.085 5 40 JIBB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 21595699 APNQKXOZLSOGEQ-UHFFFAOYSA-N 456.553 4.025 5 40 JIBB CCOc1cc(C(=O)O[C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 28000035 JQXQBFKVNSMAOT-SNVBAGLBSA-N 457.266 4.493 5 40 JIBB O=c1/c(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)sc2nc3ccccc3n12 59418376 NXYKSATZEUWWDG-JAIQZWGSSA-N 460.427 4.066 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225015458 VEUPEXMJPIEAQF-MOPGFXCFSA-N 457.596 4.468 5 40 JIBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 408640949 BSJRLOMASLYQNT-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 408665132 UNKIWDAKNBHDSM-UHFFFAOYSA-N 498.717 4.301 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408669063 WBBBTEXJUHBJKB-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4cccc([N+](=O)[O-])c4)cc3)C2=O)c1 409118139 PAALZCXUYDEINU-OEAKJJBVSA-N 486.484 4.014 5 40 JIBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)no1 1747992 RFNQANURKRPVAO-UHFFFAOYSA-N 458.477 4.159 5 40 JIBB COc1cccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/N=C(c3ccccc3)OC2=O)c1 2994696 VOQHISXAXNDXNU-PXLXIMEGSA-N 460.442 4.406 5 40 JIBB COCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1ccccc12 4130709 KMNACCDNUZGOPC-UHFFFAOYSA-N 484.486 4.407 5 40 JIBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064663 AJDDEEFVHSAAFB-UHFFFAOYSA-N 463.903 4.274 5 40 JIBB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1O 12750218 ZCNPWIOOBMJKKW-LJQANCHMSA-N 487.559 4.312 5 40 JIBB C[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57452059 UIISEJZDGGSBTH-CQSZACIVSA-N 457.893 4.085 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1cccc(Cl)c1 101121824 BACVJMZJIJJEBN-SLMZUGIISA-N 478.936 4.110 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225423123 DKTUKZKSUDFCII-RBUKOAKNSA-N 457.596 4.203 5 40 JIBB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 409191379 WTMZAVHSQKSBKE-MOSHPQCFSA-N 458.426 4.476 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 8971439 FHSJOLPRYSEWQK-JBXUNAHCSA-N 457.486 4.089 5 40 JIBB COc1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc([N+](=O)[O-])c1 9340337 WCBQWPDDDUZTSL-XJKSGUPXSA-N 451.361 4.306 5 40 JIBB COc1cc([C@@H](C)OC(=O)[C@@H]2CSC(c3nc4ccc(O)cc4s3)=N2)c([N+](=O)[O-])cc1OC 9915662 VGEMOUFKGRGCNZ-YGRLFVJLSA-N 489.531 4.094 5 40 JIBB in-vitro COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13016712 VFZQFRBNMQVZFZ-GOOCMWNKSA-N 466.581 4.088 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13680938 ZFXBNIOXTIHSRD-ZDUSSCGKSA-N 472.350 4.082 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 33405873 QHJGUECEBZVYJY-UQESYKPISA-N 478.461 4.491 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1cc(C)cc(C)c1 102919325 FMUORMVZFVPOPG-RMLRFSFXSA-N 472.545 4.073 5 40 JIBB Cc1c(N(Cc2ccc(C(=O)NC[C@H](C)c3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 260842682 QMBAPQNHUZYNIS-SFHVURJKSA-N 481.574 4.403 5 40 JIBB CCCCCCn1nc(C(=O)OCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)c2ccccc2c1=O 3307699 RLXJNVPNLXOOQD-UHFFFAOYSA-N 486.912 4.334 5 40 JIBB CCc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9426138 QADOYEGVIRIIBH-UHFFFAOYSA-N 466.485 4.013 5 40 JIBB Cc1ccc(-c2nc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)sc2C)cc1 9581264 UZNTVUJRTUKVFE-SFHVURJKSA-N 479.514 4.114 5 40 JIBB Cc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)c(C)c1 10231824 OWIZXKRZSJFZJH-UHFFFAOYSA-N 456.502 4.414 5 40 JIBB Cc1c(Cl)ccc2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 22998750 WIQIEBWMMKBLAT-UHFFFAOYSA-N 460.943 4.145 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35851578 PKNFLNIAEUQHQA-ICLZECGLSA-N 486.553 4.117 5 40 JIBB CC(C)Oc1cccc(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c1 408604769 IDQBZXGWSLKXFE-UHFFFAOYSA-N 469.519 4.216 5 40 JIBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cccc([N+](=O)[O-])c2C)CC1 408700691 KIGRJWPFTUGGTE-UHFFFAOYSA-N 475.567 4.075 5 40 JIBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)c1ccccc1 9562893 BRZYPFKUZVEWEH-UHFFFAOYSA-N 474.878 4.089 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 18036687 MUBGMWLUYWCMQE-HKBOAZHASA-N 467.840 4.438 5 40 JIBB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12 20675589 PLMRMSSJVLRUEU-SFTDATJTSA-N 450.495 4.250 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408680262 FZRBOSGCLVTOFA-ZMYBRWDISA-N 455.898 4.227 5 40 JIBB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)C(C)C)c1 409059791 OLHURFISQIWDQH-NRFANRHFSA-N 496.593 4.198 5 40 JIBB Cc1cc(C)c2[nH]c(=O)c(CN(C3CCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 914460 ZGYXTBWRSAZVDB-UHFFFAOYSA-N 455.536 4.187 5 40 JIBB Cc1c(OCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)O)ccc2c1oc(=O)c1ccccc12 2121136 CSYGMMBAZUTWOT-FQEVSTJZSA-N 465.889 4.099 5 40 JIBB biogenic COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1Cl 9667898 FXTPSENGSMYGPW-UHFFFAOYSA-N 491.909 4.075 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccco1 12491771 MSZPDYRRPMFEHO-OAHLLOKOSA-N 464.507 4.317 5 40 JIBB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COC(=O)c1cc([N+](=O)[O-])ccc1NCc1ccccc1 12533089 HKIPIYIWUVIFMZ-UHFFFAOYSA-N 479.489 4.368 5 40 JIBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 21580584 DTQBPYDBFROAQO-UHFFFAOYSA-N 473.489 4.236 5 40 JIBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2cccc([N+](=O)[O-])c2)cc1 26963614 HUVFMLBPFHWBGC-UHFFFAOYSA-N 494.500 4.175 5 40 JIBB CCCCn1/c(=N\C(=O)[C@H](CC)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176538 NKYWVTDWHROJGT-TZELUYNPSA-N 486.572 4.247 5 40 JIBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408564858 GCXUDFRNJHDVJD-VFHOHQAYSA-N 493.947 4.450 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 409124005 IPPUIYCSSCKTQJ-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB CC(=O)[C@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 8974856 WVFGNIMBQFZYTP-MEWSVHOLSA-N 479.492 4.157 5 40 JIBB C[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1Cl 12528286 ZWYKYECOPQYOJW-LBPRGKRZSA-N 460.339 4.096 5 40 JIBB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)s2)cc1OC 12563129 DHQKETOVMIISKR-UHFFFAOYSA-N 468.535 4.006 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc2c(Cl)cccc12 14269012 NXWNBKGKPFKGGE-UHFFFAOYSA-N 454.939 4.238 5 40 JIBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(OC)cc2[N+](=O)[O-])cc1 20892698 NQCPREMKIKFPGW-JOCHJYFZSA-N 461.474 4.369 5 40 JIBB COC(=O)c1c(C(=O)OC)c(-c2ccc(NC(=O)c3ccc(Cl)cc3[N+](=O)[O-])cc2)n2c1CCC2 32916027 FKUDVMIDKWBGGU-UHFFFAOYSA-N 497.891 4.488 5 40 JIBB Cc1cccc2nc(C[N+]3(Cc4cn5c(C)cccc5n4)CCC[C@@H](c4ccnn4C)C3)cn12 48261462 SDFKILVPULLBPF-JOCHJYFZSA-N 454.602 4.427 5 40 JIBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222750680 DENFRBBDLFBAIG-GOSISDBHSA-N 457.596 4.468 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 224856129 SXTGMKPJKZMAQZ-LJQANCHMSA-N 481.574 4.403 5 40 JIBB CN(c1ccc(CC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 225987844 OBGSBKPNPRPRIZ-UHFFFAOYSA-N 459.911 4.255 5 40 JIBB O=C(OCCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O)c1cccc([N+](=O)[O-])c1 9354616 YVEZSKMHOIXKLK-UHFFFAOYSA-N 473.485 4.191 5 40 JIBB COCCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccc([N+](=O)[O-])cc1 9427237 YWJOVQGRCFQYIX-OAQYLSRUSA-N 495.561 4.266 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 9907523 APRKXDUPHJGQOX-UHFFFAOYSA-N 464.432 4.377 5 40 JIBB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1cc([N+](=O)[O-])cc2c1OCOC2 12981825 PBAYJFGBYVYVMA-UHFFFAOYSA-N 459.808 4.204 5 40 JIBB C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2[N+](=O)[O-])C1 17823495 OTJFYOGLOGFXQD-AZUAARDMSA-N 450.539 4.322 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)N1CCc2ccccc2C1 108141647 ZIDDIPTZOURISI-HMAPJEAMSA-N 488.525 4.007 5 40 JIBB O=C1S/C(=C/c2cccc([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 215195859 QISCLUOIQDFHBA-OQLLNIDSSA-N 466.256 4.436 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@@H]1CCCN12 408563977 BWMNHDSUEROJQQ-CLPFNFTISA-N 473.504 4.459 5 40 JIBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1cccs1 2656910 PJVZLNXCNPXROS-UHFFFAOYSA-N 458.879 4.014 5 40 JIBB CC1CCN(c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2[N+](=O)[O-])CC1 9779905 AAVIDZBQQCORJL-UHFFFAOYSA-N 474.564 4.097 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10366601 LMYQWSXEZLMBND-UHFFFAOYSA-N 469.519 4.130 5 40 JIBB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccccc1[N+](=O)[O-] 13844302 KAYWCARGDZAORZ-UHFFFAOYSA-N 468.322 4.340 5 40 JIBB CCOc1ccc(NC(=O)CN(C)C(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)cc1OCC 24752293 KLKYQUTXBWFJBQ-UHFFFAOYSA-N 484.553 4.093 5 40 JIBB Cc1ccc(N2N=C([N+](=O)[O-])[C@H](c3cccc([N+](=O)[O-])c3)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 33353876 IUMHCTKTFYOQKJ-SFTDATJTSA-N 462.422 4.251 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1F)[C@@H]1CCCN12 408567847 RYNXLMUJXSFBKE-TUPPOGIXSA-N 473.504 4.459 5 40 JIBB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cccc1[N+](=O)[O-] 409390632 KQFDRMWZNSEJQC-ZDUSSCGKSA-N 472.350 4.249 5 40 JIBB COc1ccccc1OCc1nnc(SCC(=O)Nc2ccccc2[N+](=O)[O-])n1-c1ccccc1 6177074 FGRWPFIGLXBDTP-UHFFFAOYSA-N 491.529 4.494 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 8994429 FHPNSECRCBHIPP-YSFYHYPLSA-N 459.502 4.034 5 40 JIBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1Oc3ccc([N+](=O)[O-])cc3[C@@H]3Oc4ccc([N+](=O)[O-])cc4[C@@H](O2)N13 226319571 VJUUKKWXCXXONU-PCCBWWKXSA-N 464.346 4.287 5 40 JIBB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)s1 1854009 SBKJPVPBIAQBJD-MRXNPFEDSA-N 454.851 4.264 5 40 JIBB CCCCCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 4933878 KGEICEFSUWYAHL-UHFFFAOYSA-N 487.509 4.399 5 40 JIBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 8922002 ANAJSRYVOBZWGK-DEOSSOPVSA-N 466.877 4.264 5 40 JIBB CC(C)(C)NS(=O)(=O)c1ccc(NC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2)cc1 13944172 WFWZZRGUDWZGFY-UHFFFAOYSA-N 496.545 4.176 5 40 JIBB COc1ccc(S(=O)(=O)c2c(C)c(NC(=O)c3cccc([N+](=O)[O-])c3)cc(C)c2O)cc1 26787008 GGTNHOFAQVQHOQ-UHFFFAOYSA-N 456.476 4.011 5 40 JIBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225596390 CSTMATUCAHGOOX-AWEZNQCLSA-N 452.338 4.386 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(F)cc1 408585148 BMWXDUIRKJBQIB-UHFFFAOYSA-N 487.509 4.193 5 40 JIBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409213708 SRPQGBJWAKLEAY-NWRYFCBHSA-N 457.464 4.160 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 409267897 PSUHTBBKCLFTPN-QGZVFWFLSA-N 469.519 4.489 5 40 JIBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)NCCc1cccs1 9464136 LGRWBUZKILEGNC-UHFFFAOYSA-N 465.560 4.355 5 40 JIBB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 12546789 FGPJPXWQCRAULE-KRWDZBQOSA-N 453.882 4.430 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(N(C)C)c([N+](=O)[O-])c1)CC2 48368587 VUWYQVMJLXOLKT-VWLOTQADSA-N 461.518 4.466 5 40 JIBB O=C(CSc1nc2ccc(S(=O)(=O)N3CCCCC3)cc2s1)Nc1cccc([N+](=O)[O-])c1 59417635 JAMZPODOTYPVHL-UHFFFAOYSA-N 492.604 4.110 5 40 JIBB CC[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222988643 HDBXRCNIZUUZKE-HTAPYJJXSA-N 473.595 4.204 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 408569781 XULXHVMPBUWADJ-UWSFRGMNSA-N 463.921 4.487 5 40 JIBB CCn1c(SCC(=O)Nc2cccc(C(=O)OC(C)C)c2)nnc1-c1cccc([N+](=O)[O-])c1 409129979 VQBSIRRQNVJODZ-UHFFFAOYSA-N 469.523 4.169 5 40 JIBB CSc1ccc2cc(COC(=O)CNc3ccc(S(C)(=O)=O)cc3[N+](=O)[O-])c(Cl)nc2c1 9253929 LBELSCRWNCTJAV-UHFFFAOYSA-N 495.966 4.077 5 40 JIBB COc1cccc(CNc2nc(NCc3cccc(OC)c3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)c1 9847051 WRQKYDZBUHXANX-UHFFFAOYSA-N 488.504 4.116 5 40 JIBB Cc1nc(CN2CCN(C(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)CC2)cs1 12886358 WZBKAJIRFMRZHJ-UHFFFAOYSA-N 499.980 4.223 5 40 JIBB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 14925414 NEZSJDYZELLKQH-CYBMUJFWSA-N 456.852 4.416 5 40 JIBB COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 24270198 IPCCXXNMHVZJRG-KSSFIOAISA-N 469.519 4.124 5 40 JIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317233 XJIGLXUJJXXAPF-UHFFFAOYSA-N 452.191 4.420 5 40 JIBB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc([N+](=O)[O-])c2C)cc1 408924729 LVSGMXCNVSUMST-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cccc(C)c2C)cc1 409028179 IIGHILPMSHNWOC-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CCN1C(=O)/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)N(C)C1=S 409038671 QAKXUGDZMAQVOA-BOPFTXTBSA-N 476.352 4.356 5 40 JIBB COc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 22278913 RAPATWDGPGYBCL-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C)c(C)c2)cc1 409029258 XTUCDEQREKIRCW-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409233699 HKFQLZTZZNBKDU-LICLKQGHSA-N 490.310 4.248 5 40 JIBB COc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 409371638 IVMHZWSANYVZOG-ZKKFKWFVSA-N 460.873 4.134 5 40 JIBB C[C@@H]1CCc2c(sc3c2c2ncnn2c2nnc(SCC(=O)Nc4cccc(Cl)c4)n32)C1 2344238 YVDHMGTWNDDGEJ-LLVKDONJSA-N 484.010 4.496 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 12851984 LJWDEGHMKQDFRH-GOSISDBHSA-N 459.842 4.054 5 40 JIBB O=C(NC(=S)Nc1ccc(I)cc1C(F)(F)F)c1cccc([N+](=O)[O-])c1 14275974 HXJHMWUDAIVRSU-UHFFFAOYSA-N 495.220 4.345 5 40 JIBB CC(=O)c1sc(N(C[C@H]2CCCO2)C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)nc1C 36614033 PLGUJPSKHUPSOB-DZGCQCFKSA-N 467.931 4.195 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43732328 KYWHEGPNHHAKID-JKHABCDFSA-N 462.893 4.019 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]21 138511082 MXPRINRBXGRWNC-CFLQYTFWSA-N 453.882 4.003 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223240550 HMWRLMLCGYQIJZ-KRWDZBQOSA-N 461.559 4.301 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(Cl)cc1 408563996 BWTWINCXQPKNCA-POIRLRRGSA-N 463.921 4.487 5 40 JIBB O=C(OCc1nnc(-c2ccccc2Br)o1)c1cc([N+](=O)[O-])ccc1N1CCCC1 8826261 RFNHTVXHQBDJON-UHFFFAOYSA-N 473.283 4.365 5 40 JIBB COc1ccccc1Nc1ccc([N+](=O)[O-])cc1NCC(=O)Nc1ccc(N2CCOCC2)cc1 9580063 WSVIZNGNVHXELZ-UHFFFAOYSA-N 477.521 4.234 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225349484 RLNQLRZWBCJNGA-QZTJIDSGSA-N 473.595 4.169 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c(OC)c1 408577216 XHQDZRCQWKPKON-UHFFFAOYSA-N 491.909 4.319 5 40 JIBB CCc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc([N+](=O)[O-])c1 408664793 KELQRLRQJARFHH-UHFFFAOYSA-N 492.326 4.210 5 40 JIBB CCc1nnc2sc(-c3ccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3)nn12 9190275 MKMZKBXMAHIPNA-UHFFFAOYSA-N 463.523 4.176 5 40 JIBB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)COc2ccc([N+](=O)[O-])cc2)cc1OC 9669412 WXRHXTFVGQGYDF-IBGZPJMESA-N 467.503 4.430 5 40 JIBB O=C(CCSc1ccc(F)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 11025916 PIVPQGJDTLNBHO-UHFFFAOYSA-N 467.525 4.144 5 40 JIBB CC1CCN(c2ccc(C(=O)N3CCC(C(=O)c4ccc5c(c4)OCCO5)CC3)cc2[N+](=O)[O-])CC1 12750728 HHBHIFFBEVPTFA-UHFFFAOYSA-N 493.560 4.337 5 40 JIBB COCCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@@H]1c1ccccc1[N+](=O)[O-] 13839266 YEPSHKVKWUBXJJ-OAQYLSRUSA-N 495.561 4.266 5 40 JIBB C[C@@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21509855 DOABOYBVEOYJSQ-LLVKDONJSA-N 466.347 4.122 5 40 JIBB Cc1c(NC(=O)COC(=O)CCC(=O)Nc2ccc([N+](=O)[O-])cc2)ccc(Br)c1Cl 138921065 OHTIVZDKWAUYQW-UHFFFAOYSA-N 498.717 4.220 5 40 JIBB COc1ccc(CCn2c(-c3ccc(F)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 2228064 SVQCQQAMVKIRJA-UHFFFAOYSA-N 485.515 4.314 5 40 JIBB Cc1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n(C[C@@H]2CCCO2)c1C 12520023 VKDSWHFRHHETOF-KRWDZBQOSA-N 473.580 4.441 5 40 JIBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c1)C2=O 12660305 RMQDVOPLQFNRIM-UHFFFAOYSA-N 495.447 4.292 5 40 JIBB COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1OC 19816505 IAEPUDOAHJBYKL-INIZCTEOSA-N 491.529 4.255 5 40 JIBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 23291477 YCKAKVHCNRDYIQ-FQEVSTJZSA-N 499.819 4.422 5 40 JIBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCC(C)CC1 26119075 CMJATLBIHNLGCV-UHFFFAOYSA-N 463.581 4.298 5 40 JIBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)c(Br)cc1O 106739120 FVGQCYZEMSOEKS-APSNUPSMSA-N 465.281 4.308 5 40 JIBB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223251282 RYISJFALVIZEBW-FCHUYYIVSA-N 451.552 4.174 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 408662541 FGHUUNSMAUSZNG-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB COCCCN(C(=O)COc1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)ccc2OC)cs1 6904347 GQHQAEMSXGEGRE-UHFFFAOYSA-N 487.534 4.184 5 40 JIBB COc1ccccc1CNC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1 8710174 RRDABNHONOXGHT-UHFFFAOYSA-N 466.494 4.490 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1 9344571 MIZCSTOGSNAMQH-NJDAHSKKSA-N 467.840 4.438 5 40 JIBB O=C(CSc1nnc(NC(=O)c2ccccc2C(F)(F)F)s1)Nc1cccc([N+](=O)[O-])c1 9600081 KJUFDWAJKVAKHS-UHFFFAOYSA-N 483.453 4.448 5 40 JIBB O=C1C[C@@H](c2cccc([N+](=O)[O-])c2)c2c(n3c4ccccc4nc3n(Cc3ccccc3F)c2=O)N1 12375600 MMJFKOZBIQIGRS-SFHVURJKSA-N 483.459 4.219 5 40 JIBB C[C@H](OC(=O)c1ccccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccccc1 12564722 ANCNOXRNDJUZNF-AWEZNQCLSA-N 488.905 4.477 5 40 JIBB Cc1sc2nc(CSc3ccc(S(=O)(=O)C(F)(F)F)cc3[N+](=O)[O-])[nH]c(=O)c2c1C 14095946 YGFRKEUODNRUEL-UHFFFAOYSA-N 479.483 4.095 5 40 JIBB COc1ccccc1[C@H]1CC(=O)c2cn3nc(SCc4ccc([N+](=O)[O-])cc4)nc3nc2C1 20796451 RKAWLHIVIJXROM-OAHLLOKOSA-N 461.503 4.246 5 40 JIBB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Br 22710092 IFLYBLRALBTSFT-UHFFFAOYSA-N 474.233 4.465 5 40 JIBB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103612482 ZCOPCZXUIKICGA-FPOVZHCZSA-N 480.402 4.396 5 40 JIBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222714815 VPUQPCUUXAHPRH-GOSISDBHSA-N 457.596 4.468 5 40 JIBB COc1cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408568991 VNRZVZIGADVURK-MOXRBOSHSA-N 485.540 4.329 5 40 JIBB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc(C)c1Br 408661735 HIGRFFFKTTZVGG-UHFFFAOYSA-N 492.326 4.265 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408689203 XVCJYJPIFMRGPH-UAOJZALGSA-N 453.882 4.003 5 40 JIBB CN1CCC(NC(=O)CCC(=O)[C@H]2CC(C)(C)[C@@H]2CCc2cnc(-c3cccc([N+](=O)[O-])c3)[nH]2)CC1 643588394 VYTUBQSPRZUSLY-XZOQPEGZSA-N 495.624 4.140 5 40 JIBB O=C(CSCCCCSCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1cccc([N+](=O)[O-])c1 4118526 FFHLJCKBFOIPNG-UHFFFAOYSA-N 478.552 4.327 5 40 JIBB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)C[S@@](=O)C2)c1ccc(Cl)c([N+](=O)[O-])c1 11726339 KVGGTCPECZGEGI-GDLZYMKVSA-N 451.291 4.102 5 40 JIBB O=C(NCc1ccccc1CNC(=O)Nc1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 26780122 OSTSXZCGVCJNMT-UHFFFAOYSA-N 464.438 4.146 5 40 JIBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223250982 FFAFLXZVVMFWAE-YADHBBJMSA-N 451.552 4.174 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccc(Br)cc1 409175784 UTMKHRFBOWHNHU-OQLLNIDSSA-N 462.281 4.032 5 40 JIBB CCCOc1c(Br)cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 409373288 SWPLHPAASXZZES-UHFFFAOYSA-N 452.257 4.194 5 40 JIBB CCOC(=O)c1c(NC(=O)[C@@H](C)OC(=O)c2cc([N+](=O)[O-])c(F)cc2F)sc2c1CCCC2 12739659 NTTNBVWKGAVYCL-SNVBAGLBSA-N 482.461 4.174 5 40 JIBB O=C(COC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)Nc1ccc(Cl)cc1[N+](=O)[O-] 21763295 XNWWNQYPVYTQTD-UHFFFAOYSA-N 486.834 4.060 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225383125 ANAYSOSHOUDUNL-ZWKOTPCHSA-N 473.595 4.169 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C1=O 408917720 AKFQTWGSWRHWPL-NFJKTXFASA-N 460.873 4.351 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409209727 IAWMGHHUYCFBBN-YBFXNURJSA-N 489.462 4.377 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc(Br)ccc1O 409411900 NCRUSLIQKHCSAU-UHFFFAOYSA-N 478.328 4.072 5 40 JIBB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 898371 DCXQVOGCPZIUCY-APWZRJJASA-N 467.551 4.460 5 40 JIBB O=C(N[C@@H](OC[C@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 2137262 DZCYACFALBXCCJ-SIIHOXLZSA-N 464.777 4.302 5 40 JIBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c([N+](=O)[O-])c1 6150880 QFAGSQXIAJLHAH-UHFFFAOYSA-N 486.532 4.489 5 40 JIBB CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 9185648 CVXWMHDLWIHNJH-VIICAESSSA-N 482.533 4.250 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1 9442480 HDTGLLWPHFKEJP-UHFFFAOYSA-N 459.307 4.325 5 40 JIBB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9593712 KNAZDYDMVFCXSS-UHFFFAOYSA-N 452.323 4.454 5 40 JIBB Cc1cc(C(=O)COC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)c(C)n1-c1nccs1 24275457 JFDUPBKSWXQXIX-UHFFFAOYSA-N 468.535 4.101 5 40 JIBB O=[N+]([O-])c1ccccc1N1CCN(C[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 25462836 WKAVNKFNXRMXEI-HSZRJFAPSA-N 483.515 4.162 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408685156 OUUHHVZORSCIKE-UAOJZALGSA-N 453.882 4.003 5 40 JIBB COc1c(Br)cc(Br)cc1/C=C1\N=C(c2cccc([N+](=O)[O-])c2)OC1=O 408718518 UONOQMDTZLGJOX-AUWJEWJLSA-N 482.084 4.473 5 40 JIBB COc1ccc(C)cc1NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)OCc1ccccc1 408999947 DGBCRVXPPMSTMP-QFIPXVFZSA-N 463.490 4.388 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2Cl)cc1 409062764 AMWRDYBZOOAXOD-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB CCOc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 409319451 GINHVKVTVKIZCS-UHFFFAOYSA-N 483.546 4.444 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2407086 YRGIOGAETINILT-UHFFFAOYSA-N 457.534 4.086 5 40 JIBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 8923051 RFHOPYPYOQNZGU-VWLOTQADSA-N 480.904 4.307 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 9328092 IKRQVWJBYZXCQS-NJDAHSKKSA-N 467.840 4.438 5 40 JIBB CCNc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3OC)c2)cc1[N+](=O)[O-] 9957449 XSMDUDOZEAWGPN-UHFFFAOYSA-N 470.507 4.088 5 40 JIBB CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 16639173 MSOHJZLPXZNNFS-UHFFFAOYSA-N 476.986 4.264 5 40 JIBB CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 19856443 ANAPITVIIIEDMX-UHFFFAOYSA-N 453.520 4.300 5 40 JIBB COc1ccccc1[C@@H]1CC(=O)c2cn3nc(SCc4cccc([N+](=O)[O-])c4)nc3nc2C1 20796527 UFGSBKKUVCFKFX-HNNXBMFYSA-N 461.503 4.246 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1[N+](=O)[O-] 22579352 REVGOVHRRBPBHQ-UHFFFAOYSA-N 467.551 4.061 5 40 JIBB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)n2N)c2ccccc2)c([N+](=O)[O-])c1 36800121 CKWGMVQDGXLRBJ-LJQANCHMSA-N 464.507 4.249 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565048 HMDPRXGQFFJQPI-GGPAXRDESA-N 487.556 4.495 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cc(F)ccc2[N+](=O)[O-])c2ccccc2)cc1 408977617 DYAKYEATQYGWDI-LJQANCHMSA-N 457.483 4.091 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)C[C@H](C)CC5)c1 2423173 GCCNLLSXEYZALQ-CYBMUJFWSA-N 463.592 4.151 5 40 JIBB CCCC[C@@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 8721563 IHPKXQQFUVXGMO-SFHVURJKSA-N 493.299 4.483 5 40 JIBB O=C(Nc1cc2c(cc1[N+](=O)[O-])OCCO2)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 9507579 UJDOZTDGXXLWNL-UHFFFAOYSA-N 495.922 4.134 5 40 JIBB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9712891 BBXQWLYFWZDEJT-UHFFFAOYSA-N 476.470 4.072 5 40 JIBB Cc1cc(C)n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Nc3ccc(F)cc3)nnc2n1 12645449 IMKAMEOWOCGQPQ-UHFFFAOYSA-N 467.486 4.263 5 40 JIBB Cc1ccccc1C(=O)Nc1cccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22567904 CMSWGBRKXLNXRW-UHFFFAOYSA-N 460.490 4.244 5 40 JIBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCO1 34863150 UFEQBEYRKAIOQE-LAUBAEHRSA-N 483.565 4.468 5 40 JIBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1c(F)cccc1Cl 106741627 PTXPAXBUDGNSCB-ODLFYWEKSA-N 477.901 4.460 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(OCc4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 408572101 GTYOJKSVFCCKJP-UHFFFAOYSA-N 489.528 4.313 5 40 JIBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408657053 TXZRPNAKPABDMU-OAHLLOKOSA-N 491.887 4.481 5 40 JIBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)c1 408924597 KOAVQPDVBOGTAD-LHHJGKSTSA-N 483.502 4.065 5 40 JIBB O=C(CSC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12)Nc1ccc([N+](=O)[O-])cc1 12390639 VGWPKCPTBSQLRK-UHFFFAOYSA-N 495.952 4.259 5 40 JIBB COC(=O)c1c(C)nc(C)c(C(=O)O[C@H]2CCN(Cc3ccccc3)C2)c1-c1cccc([N+](=O)[O-])c1 77286576 DFWOMDUVXAUTRY-QFIPXVFZSA-N 489.528 4.492 5 40 JIBB in-vitro CCCn1/c(=N\C(=O)c2cccc3ccccc23)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176395 JTLSLIHPOKHQDV-JVCXMKTPSA-N 480.524 4.130 5 40 JIBB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223250932 FFAFLXZVVMFWAE-VXKWHMMOSA-N 451.552 4.174 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1 409323891 RMLJSYCLQQNHIC-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB Cc1nc2c(c(=O)n1Cc1ccccc1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 2306823 SEDOVGIWGDYFLN-UHFFFAOYSA-N 475.508 4.428 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)Nc1ccccc1[N+](=O)[O-] 9583486 CZTCAAOLOQCLBA-UHFFFAOYSA-N 450.451 4.164 5 40 JIBB CCN1CCN(c2ccc([N+](=O)[O-])c(-n3nc(-c4ccc(C)cc4)c4ccccc4c3=O)c2)CC1 9891919 ZGWZUQJTUDOCMK-UHFFFAOYSA-N 469.545 4.411 5 40 JIBB O=C(OC1CCCCC1)c1ccc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cc1 20412153 SYUWKJBYGGHLBI-UHFFFAOYSA-N 453.495 4.173 5 40 JIBB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223788330 BKUAOAFYFJUUGW-FQEVSTJZSA-N 491.972 4.359 5 40 JIBB CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCc1ccc(Cl)cc1 9632020 KDKSMUXYLSJUPG-SFHVURJKSA-N 470.378 4.112 5 40 JIBB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)n2N)cc1 10784879 MDVAZJKDWRSVDA-LLVKDONJSA-N 466.445 4.014 5 40 JIBB Cc1ccc(Cn2nc(C)c(NC(=O)c3cc(-c4cccc([N+](=O)[O-])c4)nc4ncnn34)c2C)cc1 36619491 WUANBUGVLGDBRB-UHFFFAOYSA-N 482.504 4.122 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 103980740 NZIIGMMMXFUKHO-LIONHTAISA-N 479.492 4.176 5 40 JIBB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 215740073 JVHKWQRLRUSFKX-OQKWZONESA-N 491.935 4.014 5 40 JIBB C[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223162271 PUSQISQTGPFBDB-GOSISDBHSA-N 479.558 4.156 5 40 JIBB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225363995 MKJXKGDXMIDQSN-QFIPXVFZSA-N 473.595 4.170 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1 248126032 HTFGQORUFSEBGG-NGSHPTGOSA-N 495.491 4.002 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408644247 SFAJJPOQTHJIFT-SNVBAGLBSA-N 468.691 4.011 5 40 JIBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@H](C)c2ccccc2)C3=O)cc1[N+](=O)[O-] 408659503 JWCOLWLSINFJDG-MRXNPFEDSA-N 487.468 4.056 5 40 JIBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408660109 WHSGQSFPOCEFQJ-HNNXBMFYSA-N 491.887 4.481 5 40 JIBB CC(=O)Oc1ccc(C(=O)COC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)cc1 409178208 JMOSWQBQXSACPO-UHFFFAOYSA-N 480.385 4.260 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 14412413 OMKXGYZWQHFJLQ-UHFFFAOYSA-N 457.483 4.185 5 40 JIBB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 57316841 HSYHKGQOFHUXOU-UHFFFAOYSA-N 479.581 4.142 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C(=O)c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C1=O 98087103 PSZAJFVZEYKBCZ-UHFFFAOYSA-N 472.207 4.228 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 224943354 PZXUCGFBILKVJX-UHFFFAOYSA-N 494.573 4.419 5 40 JIBB CCOC(=O)C1=C(C)N=C(SC)N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729872 DTDWUORFLQAGQU-OAQYLSRUSA-N 471.535 4.383 5 40 JIBB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408888538 WUYBUUFUDOLYJE-SXGWCWSVSA-N 478.324 4.474 5 40 JIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccccc1I 8895110 MEBZZXYTUGWTPQ-UHFFFAOYSA-N 475.695 4.288 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccccc3)C2=O)[C@@H]1CCC 9266270 GTBMSCKDIOWVRK-SQJMNOBHSA-N 464.522 4.196 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc(C(=O)O)cc2)C(=O)N[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1 12851987 LJWDEGHMKQDFRH-SFHVURJKSA-N 459.842 4.054 5 40 JIBB NC(=O)c1c(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2c1CCCC2 34746965 DJBXXRPUBITRFH-UHFFFAOYSA-N 470.532 4.021 5 40 JIBB O=[N+]([O-])c1c(N2CCCCC2)c([N+](=O)[O-])c(N2CCCCC2)c([N+](=O)[O-])c1N1CCCCC1 68572855 KXJDVIBBUIDUNJ-UHFFFAOYSA-N 462.507 4.382 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 223509482 ZHNPHUSELYTIMZ-DHIUTWEWSA-N 456.531 4.348 5 40 JIBB COc1cc([N+](=O)[O-])cc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c1OC 408633230 JEDRKSRQGMVYOB-OVCLIPMQSA-N 462.871 4.268 5 40 JIBB CCOC(=O)c1c(C)n(C[C@H](O)c2ccc([N+](=O)[O-])cc2)c2c1cc(O)c1ccc(O)cc12 2295133 PVEUXIIROJISAU-NRFANRHFSA-N 450.447 4.333 5 40 JIBB O=C(CNS(=O)(=O)c1ccc(Cl)cc1)OCc1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1 6189081 HRYIEWSODZCGEE-UHFFFAOYSA-N 476.894 4.062 5 40 JIBB CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@H](C(=O)OCC)[C@H]1c1cccc([N+](=O)[O-])c1 9185650 CVXWMHDLWIHNJH-RZPFDVGOSA-N 482.533 4.250 5 40 JIBB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nc1 9588752 YGAVOSWTRRQJEK-UHFFFAOYSA-N 499.014 4.327 5 40 JIBB COCCn1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nnc1-c1ccc(Cl)cc1 13137471 CSIYVHCAGYJUEJ-UHFFFAOYSA-N 465.894 4.023 5 40 JIBB Cc1c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 14412687 SXQBSNKOKZSHRC-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Br 102710927 VUCDUKWQOFVHBX-NJYVYQBISA-N 494.301 4.408 5 40 JIBB CC[C@@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 222988581 HDBXRCNIZUUZKE-JTSKRJEESA-N 473.595 4.204 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)C1CCCCC1 408624238 RWVDGVNBTAKVLR-UHFFFAOYSA-N 475.567 4.182 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)Nc1ccc2c(c1)OCO2 409155076 LMEBSXGSIYJERI-KEBDBYFISA-N 493.453 4.259 5 40 JIBB O=C1OC(c2cc(I)ccc2Cl)=N/C1=C/c1cccc([N+](=O)[O-])c1 865423 WBNSGEWAXIWLJM-VGOFMYFVSA-N 454.607 4.197 5 40 JIBB Cc1ccccc1NC(=S)N[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 939641 ACMIWJCBTSIWOG-HNNXBMFYSA-N 461.758 4.316 5 40 JIBB CC1(C)C(=O)N(Cc2ccc([N+](=O)[O-])cc2)c2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1 2295429 PXDQXIXMMDFDJI-UHFFFAOYSA-N 460.446 4.475 5 40 JIBB CC1(C)c2cc([N+](=O)[O-])ccc2N(CCO)[C@@]12C=Cc1cc([N+](=O)[O-])cc(Br)c1O2 4253698 PSNCNECFKAAUFM-HXUWFJFHSA-N 476.283 4.158 5 40 JIBB COc1cc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccco2)CCC3)c([N+](=O)[O-])cc1OC 9569375 IVCDPKTTYBCXCL-UHFFFAOYSA-N 451.435 4.050 5 40 JIBB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 14925416 NEZSJDYZELLKQH-ZDUSSCGKSA-N 456.852 4.416 5 40 JIBB O=C(N[C@H](OC[C@H]1CCCN2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 16041248 CYCWZGBHULTEAA-UWWQBHOKSA-N 464.777 4.302 5 40 JIBB biogenic CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nc2sc3c(c2c1=O)CCCC3 23597151 KYTJXOSYALMUTB-UHFFFAOYSA-N 458.565 4.304 5 40 JIBB O=C1S/C(=C/c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 35341102 BNIFZGSLANTCEP-VGOFMYFVSA-N 480.252 4.208 5 40 JIBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Br)cc1)C(c1ccccc1)=NN2c1ccc([N+](=O)[O-])cc1 100949341 ZWNVFYNPUBFYSU-FPOVZHCZSA-N 491.301 4.140 5 40 JIBB COc1c([N+](=O)[O-])cc(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)cc1[N+](=O)[O-] 103933151 GOSWCWFPMBCOLM-VQHVLOKHSA-N 454.351 4.332 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)cc1C 408554121 ZQJHMNBWTAICRY-UHFFFAOYSA-N 483.546 4.050 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408644246 SFAJJPOQTHJIFT-JTQLQIEISA-N 468.691 4.011 5 40 JIBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl 9142379 RITHVVFWBUOQQX-UHFFFAOYSA-N 458.721 4.455 5 40 JIBB O=[N+]([O-])c1ccc(NCc2ccc3c(c2)OCO3)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 9579599 VDNSANZMGCIMCF-UHFFFAOYSA-N 461.883 4.390 5 40 JIBB O=c1cc(CSCc2cccc(S(=O)(=O)N3CCOCC3)c2)c2c(ccc3ccccc32)o1 12814964 STUSRZGJVXCGSR-UHFFFAOYSA-N 481.595 4.401 5 40 JIBB CN(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 30853463 WKUNZRFTDIEGDB-UHFFFAOYSA-N 473.938 4.102 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223744370 GGARCWIBSABDJV-FGZHOGPDSA-N 466.519 4.176 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 409045698 HEAZOIHXOCWANQ-AYIBLLACSA-N 468.465 4.091 5 40 JIBB COc1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792225 KAUDMAXZWUYCHA-UHFFFAOYSA-N 463.493 4.296 5 40 JIBB biogenic O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 9140922 VOGCGWROLKZVSS-IBGZPJMESA-N 453.838 4.376 5 40 JIBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 997005 SVIMZWDLHAUPNE-SNVBAGLBSA-N 499.387 4.252 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 9491697 JPPBGJLUIHJHSJ-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB COc1ccccc1Oc1ccc(NC(=O)CCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 408647620 SVRPONDRDYLTBZ-UHFFFAOYSA-N 493.472 4.296 5 40 JIBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc5c(c4)OCO5)cnc32)cc1 2426400 SMZAPZSYFKGJRO-UHFFFAOYSA-N 477.480 4.069 5 40 JIBB Cc1ccccc1NC(=O)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@H](C)CC4 2426848 GKSBTJSVPJEXPL-GFCCVEGCSA-N 463.592 4.151 5 40 JIBB CC(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 9282625 HVBIPJRYXMKNMB-GFQWBHFJSA-N 493.519 4.465 5 40 JIBB Cc1cccc(C2=N/C(=C/c3ccccc3OS(=O)(=O)c3ccccc3[N+](=O)[O-])C(=O)O2)c1 41108847 BWCUOXQOEVODBT-NBVRZTHBSA-N 464.455 4.015 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)c1 96024011 GBYKXNJAMLIMQC-FSSWDIPSSA-N 479.876 4.308 5 40 JIBB COc1cc(/C=C2\SC(=N)NC2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 408879508 DUHCRFOWBWMMSU-NVNXTCNLSA-N 464.297 4.084 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409093667 AZBRMUUXTALSNX-MQMKENTISA-N 486.502 4.170 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 409141833 KIUHFWWUJLOKRT-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB CC(C)COC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 823872 KVOVAWJKAWTMPE-UHFFFAOYSA-N 472.453 4.439 5 40 JIBB COc1cc(OC)cc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 2256278 WRJGVZGSJROSOK-UHFFFAOYSA-N 472.417 4.469 5 40 JIBB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCC)c([N+](=O)[O-])c1 8856304 ANSKBJUKBNYZOF-HSZRJFAPSA-N 491.504 4.037 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccccc3c3cc(C(=O)NCCCOC(C)C)nc2c31 8878263 CCJWIIRVMCMFQX-UHFFFAOYSA-N 473.529 4.154 5 40 JIBB biogenic COc1ccc([N+](=O)[O-])cc1NC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 9513268 ZLATWWMERDYBAX-UHFFFAOYSA-N 454.439 4.432 5 40 JIBB O=C(CNC(=O)c1ccc(Cl)cc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041850 FEHSGYFHVBUIOZ-QFIPXVFZSA-N 452.850 4.145 5 40 JIBB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14272694 CZPYIAXXCBTUKF-UHFFFAOYSA-N 472.505 4.034 5 40 JIBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1CCCn1ccnc1 15671125 YLEINXBYQHNJKE-FQEVSTJZSA-N 464.865 4.187 5 40 JIBB COc1ccc(C)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 89618607 WCZJQKFUVVZYQT-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222733245 WQUMUFFJURAJJM-CYBMUJFWSA-N 470.378 4.298 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 409361395 RPPHREHLBMKSHL-UDWIEESQSA-N 463.471 4.432 5 40 JIBB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)n1CC 409365328 YKXKLHUIZUBKJQ-UHFFFAOYSA-N 471.539 4.223 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1C 797543 WUERNLCRWPXKFG-ZDUSSCGKSA-N 460.947 4.417 5 40 JIBB COc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)OC[C@@H]2CCC[N+]3(C)CCCC[C@@H]23)cc1OC 8918021 AIJDFFXFTOATQM-OJENCEHKSA-O 493.624 4.427 5 40 JIBB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc([N+](=O)[O-])cc3)o1)n2Cc1ccco1 12539511 MJRNKGBWXGQPQT-UHFFFAOYSA-N 475.461 4.163 5 40 JIBB Cc1c(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cccc1[N+](=O)[O-] 12855869 DJEWKZRBACBVIN-UHFFFAOYSA-N 471.867 4.121 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c1 22576826 SXLGBNGQGSTVKU-UHFFFAOYSA-N 466.485 4.067 5 40 JIBB O=C(O)c1ccc(-c2ccc(Br)cc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)o1 226353843 WNMOTHRMWYBEIS-UHFFFAOYSA-N 467.253 4.116 5 40 JIBB CCCOC(=O)c1cccc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2CC)c1 409131565 IYHJXCVBTALOTP-UHFFFAOYSA-N 469.523 4.171 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2CCc1ccc(OC)cc1 2245003 HQAKELOOOGILBK-UHFFFAOYSA-N 471.561 4.281 5 40 JIBB COc1ccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccc(F)cc1 2619548 PVFJIZNMMSRYTJ-UHFFFAOYSA-N 491.522 4.274 5 40 JIBB CCc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)cc1 2720084 VXDMTIVKUPIUTK-UHFFFAOYSA-N 468.560 4.082 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 10691847 RYLPLKBVUYDWPS-UHFFFAOYSA-N 472.350 4.082 5 40 JIBB Cc1cc(C)c(C2=NON3N(C(=O)c4ccc([N+](=O)[O-])cc4[N+](=O)[O-])c4ccccc4N23)c(C)c1 13375914 VUXZXQQKUIICAX-UHFFFAOYSA-N 474.433 4.334 5 40 JIBB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)sc2c1 20411487 BWVPDKRNBUIEKZ-UHFFFAOYSA-N 484.534 4.250 5 40 JIBB CCOc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 20460534 ZLGZTTCTSZVQDA-SFHVURJKSA-N 483.546 4.066 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1F 102768248 YPBYBVVATNWJDL-HBMCJLEFSA-N 467.840 4.438 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1Cc1cccs1 1876035 BEYDZVTUTKXCEK-ZJSXRUAMSA-N 472.526 4.023 5 40 JIBB biogenic Cc1ccc(NS(=O)(=O)c2ccc(SC(=S)N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 9255093 QWHHUNMUMZKGOQ-UHFFFAOYSA-N 451.595 4.485 5 40 JIBB COc1ccc(N(CC(=O)N2c3ccccc3C[C@@H]2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 13668771 GJMMRICEUSWRLS-SFHVURJKSA-N 495.557 4.085 5 40 JIBB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 20153054 LWCIHGIUPMGPMO-UHFFFAOYSA-N 462.915 4.064 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224510642 YDBAPQJSNOCLHI-SFHVURJKSA-N 498.363 4.233 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225609574 IWGIVAQKHOFFQL-UZLBHIALSA-N 491.972 4.358 5 40 JIBB COc1ccc(Cl)cc1NC(=O)c1ccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408674254 YSHCXBOFYWMWJV-UHFFFAOYSA-N 451.822 4.310 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(Cl)cc2)cc1 409325632 YZLPBZIEJAXQLU-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB COc1ccc(Cn2c(-c3ccc(F)cc3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1 2432683 JFHOALITVWNVIB-UHFFFAOYSA-N 458.445 4.375 5 40 JIBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)n1 3359238 FBCHTAMJQLIEKH-UHFFFAOYSA-N 492.466 4.354 5 40 JIBB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1ccc([N+](=O)[O-])cc1Br 9443331 MAJFPQILBXNJOC-FPYGCLRLSA-N 471.210 4.154 5 40 JIBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 19856588 YBQIMYSTKLFBCM-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc2ccccc2c1 101176486 NYNLKSYNEWHIJI-JVCXMKTPSA-N 480.524 4.301 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 108914162 BANHIHOHNZMWBH-JIYIMXKPSA-N 458.536 4.225 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1F)[C@H]1CCCN12 408567846 RYNXLMUJXSFBKE-AWTIUKJOSA-N 473.504 4.459 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1C 408906551 HEBFHCOLHLPQGH-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1 13579692 CJHAIWRSYUDBKG-RTBURBONSA-N 451.504 4.090 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C/C(=O)Nc2ccc(N3CCNCC3)c([N+](=O)[O-])c2)o1 20154376 DWTSNHYTHNEPJA-WEVVVXLNSA-N 477.477 4.133 5 40 JIBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)c1 408646463 OPNNGIFOHLVGRZ-UHFFFAOYSA-N 465.462 4.047 5 40 JIBB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064676 IFITZJVKPNYCMM-UHFFFAOYSA-N 462.915 4.064 5 40 JIBB CCN1C(=O)/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)N(C)C1=S 9296050 OYQWGFZNGBNIGK-BOPFTXTBSA-N 476.352 4.356 5 40 JIBB O=C(c1ccc(N2CCCC2)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 20100715 AFWWFGXEULRZEK-UHFFFAOYSA-N 493.442 4.084 5 40 JIBB COc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 21631872 CAUKQTLYXJSLIV-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB Cc1ccc(NC(=O)[C@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c(Br)c1 62417796 MQMPEDFVOXPTLS-INIZCTEOSA-N 498.381 4.363 5 40 JIBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC[C@@H](C)C[C@H]2C1=O 408649938 LUSQKYHYBWAENE-UGCQDJOBSA-N 497.935 4.298 5 40 JIBB CCOC(=O)C1=C(C)N2C(=O)CSC2=N[C@@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729837 DPHZJYAZMBRXPY-JOCHJYFZSA-N 497.529 4.006 5 40 JIBB COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4[N+](=O)[O-])cc3n2)cc1Cl 2315282 YMXQYLOVGOZDLD-UHFFFAOYSA-N 467.869 4.317 5 40 JIBB CCc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1OC 8836073 ZUEJWRBOOUXXRM-SFHVURJKSA-N 469.545 4.093 5 40 JIBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1 9011941 QNFZZDMHSGQHDB-DNVCBOLYSA-N 485.290 4.188 5 40 JIBB CCCCOc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 16639311 PHCLRJMGABKXMM-UHFFFAOYSA-N 476.986 4.264 5 40 JIBB CCCCn1/c(=N\C(=O)[C@@H](CC)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176537 NKYWVTDWHROJGT-KGBRYYHFSA-N 486.572 4.247 5 40 JIBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C\c1cc2c(cc1Br)OCO2 8434998 UXDALHMBDGOHLN-DXNYSGJVSA-N 451.616 4.084 5 40 JIBB CCn1nccc1-c1nc2c3sc4nc(C(F)(F)F)cc(-c5cnn(C)c5C)c4c3ncn2n1 13644648 DYAVIHXTFUYGRF-UHFFFAOYSA-N 483.483 4.498 5 40 JIBB CCCCCn1/c(=N\Cc2cccs2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101098937 OBTKAEDWNYLYJM-DAFNUICNSA-N 450.564 4.179 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223425571 YZXWENDYVRLBGH-SFHVURJKSA-N 473.595 4.170 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408690126 ZSNPFLMNXZHVSM-USEHDAJUSA-N 488.327 4.490 5 40 JIBB COc1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1OC 8792145 UGWYERGBDKWGFO-UHFFFAOYSA-N 493.519 4.304 5 40 JIBB biogenic O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCC4)nn3)cc2)c1 9714679 FZKLCNDSRVRDMA-UHFFFAOYSA-N 473.942 4.496 5 40 JIBB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 9829768 DCERSEJIEXAKBC-UHFFFAOYSA-N 450.476 4.464 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1[N+](=O)[O-] 8384494 NOUSZNTYLBIONX-UHFFFAOYSA-N 495.966 4.467 5 40 JIBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)cc2[N+](=O)[O-])C1 8666625 VLTGEVJITMKZCE-JBYIUTFZSA-N 465.550 4.428 5 40 JIBB aggregator O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1ccccc1[N+](=O)[O-] 8832617 BZNXZTLVXMCTKK-UHFFFAOYSA-N 454.870 4.056 5 40 JIBB COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc([N+](=O)[O-])c1 9165871 WCBQWPDDDUZTSL-CJNGLKHVSA-N 451.361 4.306 5 40 JIBB CC(=O)N(c1cccc(C)c1)c1nc(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cs1 11610387 WKRBERBDJDWGGR-HSZRJFAPSA-N 479.518 4.012 5 40 JIBB Cc1ccc(C)n1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1 12937401 ISYFDQORTSQOIQ-OAHLLOKOSA-N 456.886 4.456 5 40 JIBB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 16311727 LMIOIIWSXVBINX-UHFFFAOYSA-N 472.505 4.034 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225096213 XGBFNFWYAGKRQR-OALUTQOASA-N 457.596 4.468 5 40 JIBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 225512778 VIMOVMOEDTZDFS-DQEYMECFSA-N 498.568 4.392 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 260842724 SXTGMKPJKZMAQZ-IBGZPJMESA-N 481.574 4.403 5 40 JIBB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)cc1Br 408664354 QELJVGYEBCKPEE-UHFFFAOYSA-N 492.326 4.265 5 40 JIBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1[N+](=O)[O-] 408673316 ZXCYVHYRJWJVSO-GFCCVEGCSA-N 499.829 4.110 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O 409191389 WZDDOPKTMAVFCS-DFMPKFEDSA-N 484.420 4.287 5 40 JIBB CC(C)CN(C(=O)c1ccc(Sc2nnnn2C)c([N+](=O)[O-])c1)c1nc2ccccc2s1 2654361 SULUUTMFVRUNEK-UHFFFAOYSA-N 469.552 4.182 5 40 JIBB Cc1nn(CC(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(C)c1[N+](=O)[O-] 3420912 GKQFBUBZBSRGFE-UHFFFAOYSA-N 474.926 4.395 5 40 JIBB O=C(COC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)Nc1ncc(C(F)(F)F)cc1Cl 9373309 RNLUZCHIVQQKBO-UHFFFAOYSA-N 472.807 4.058 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(F)cc2)cc1 19856296 DANNJTKYCPYLFK-UHFFFAOYSA-N 457.483 4.185 5 40 JIBB CSc1nccn1-c1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 36398274 DIZPVUCUOHHRML-GFCCVEGCSA-N 460.899 4.340 5 40 JIBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)c1 59678133 QQYLXLVEFQVJGO-KMBIYUNPSA-N 495.560 4.236 5 40 JIBB O=C(NCc1cccnc1)/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)S(=O)(=O)c1ccccc1 1165689 MAXPNZQHDSHEFQ-BUVRLJJBSA-N 489.509 4.381 5 40 JIBB CCOC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)c(C)nc32)cc1 2246923 ADOTWHJSVNKNKC-UHFFFAOYSA-N 455.518 4.425 5 40 JIBB O=C1c2ccc3c(Br)cccc3c2C(=O)N1Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 8445769 BVRKIWOFCAJAAL-UHFFFAOYSA-N 457.196 4.042 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 9833596 QMSRHMKUDJGEKP-NRFANRHFSA-N 496.593 4.373 5 40 JIBB C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CCN([C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1 12947823 LOAAFNPGWIKLAX-CVEARBPZSA-N 484.944 4.004 5 40 JIBB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13591569 YGVCGZPOBKYGTL-LJQANCHMSA-N 481.526 4.013 5 40 JIBB O=C(COC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O)Nc1ccc([N+](=O)[O-])cc1Cl 21543344 YDJRJADNJBOLDV-NRFANRHFSA-N 480.860 4.498 5 40 JIBB O=C1S/C(=C/c2ccc(O)c([N+](=O)[O-])c2)C(=O)N1Cc1ccc(I)cc1 215198065 ORSZJJSJEIYVSV-OVCLIPMQSA-N 482.255 4.142 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408688679 WNZODRXJDSUIAO-QCQDVHPSSA-N 488.327 4.490 5 40 JIBB Cc1c([N+](=O)[O-])c(-c2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)nn1C 2730836 VXFJGZVJHYCRGS-UHFFFAOYSA-N 465.326 4.450 5 40 JIBB COc1ccc(-c2noc(CN(CC(C)C)C(=O)COc3ccc([N+](=O)[O-])c(C)c3)n2)cc1 22257433 XGYAAXXPJRCPFK-UHFFFAOYSA-N 454.483 4.025 5 40 JIBB CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCc1nc2ccccc2nc1C 3446026 KMTZWJSSCDAUGU-LJQANCHMSA-N 488.953 4.095 5 40 JIBB CC1=C(C(=O)N(C)C)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1c1ccc(F)c(Cl)c1 40152367 HIVHCLOWMFUTRI-GOSISDBHSA-N 484.887 4.464 5 40 JIBB C[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57452057 UIISEJZDGGSBTH-AWEZNQCLSA-N 457.893 4.085 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225211792 QVZJXPHWOJOFMG-IAGOWNOFSA-N 461.559 4.299 5 40 JIBB Cc1cc(S(=O)(=O)Nc2ccccc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 408677899 SFLSIOHSOVQYTE-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB CC(C)(C)NC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408988347 SCDKFSBDXBQLLL-UHFFFAOYSA-N 470.532 4.012 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 409367568 ANUPFCFAGZGZGR-CAZKKTPXSA-N 475.844 4.033 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H](O)[C@@H]4CCCC[C@H]43)c([N+](=O)[O-])c2)c(C)c1 1163968590 QULSSANTCPJCHP-XQFWAAQXSA-N 459.568 4.142 5 40 JIBB COc1ccc(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)cc1OC 2247405 DPVZINYBSNVFKS-UHFFFAOYSA-N 472.417 4.469 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 12017472 NHZSTDKVUILCCA-ACRUOGEOSA-N 494.847 4.208 5 40 JIBB O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(c2ccc([N+](=O)[O-])c3cnccc23)C1 58014495 RWEDWOZXQATYAN-CYBMUJFWSA-N 456.300 4.156 5 40 JIBB CCCc1nc(S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)O)n[nH]1 408631433 IUTBGPDZVGWWNC-ODLFYWEKSA-N 470.507 4.471 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Nc1cccc(-c2nnc3n2CCCCC3)c1 9128491 FZUIIGKSPZQDNS-UHFFFAOYSA-N 482.566 4.108 5 40 JIBB Cc1cc(NC(=O)CSc2nc(-c3ccccc3Br)n[nH]2)c([N+](=O)[O-])cc1C 9781034 NJRFQECTXFKNDE-UHFFFAOYSA-N 462.329 4.490 5 40 JIBB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C)c1 14271125 VOOFIOGVDDOKLL-UHFFFAOYSA-N 455.584 4.476 5 40 JIBB C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 14276582 VCIXTARTAYTYPN-LLVKDONJSA-N 484.559 4.267 5 40 JIBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NCc1ccccc1Cl 62572121 DAVVMDOBWUPOLG-UHFFFAOYSA-N 487.972 4.367 5 40 JIBB CC(C)OC(=O)c1ccccc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 408623088 QRWQWLBZGKQTGV-WUIRLBBUSA-N 482.492 4.037 5 40 JIBB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 914483 WJRCRWZNIOIGLM-UHFFFAOYSA-N 491.569 4.487 5 40 JIBB CSCC[C@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)OCc1nc2ccccc2nc1C 3446029 KMTZWJSSCDAUGU-IBGZPJMESA-N 488.953 4.095 5 40 JIBB Cc1ccc(C(=O)OCCN2CCN(c3ccccc3)CC2)c([N+](=O)[O-])c1OCc1ccccc1 5011298 SBAUGCTWCMOARS-UHFFFAOYSA-N 475.545 4.461 5 40 JIBB O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)Nc1cccc([N+](=O)[O-])c1 8435645 PAZNKYMKSRAMHZ-UHFFFAOYSA-N 460.519 4.222 5 40 JIBB COc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9444317 LHSJSCUQEGHRCQ-UHFFFAOYSA-N 491.909 4.319 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1[N+](=O)[O-] 85342894 UUOFFXLVSCAETM-UHFFFAOYSA-N 458.279 4.125 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 100952671 ABHSKXFQMILWRZ-SGNDLWITSA-N 473.485 4.435 5 40 JIBB O=C1[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 103612478 ZCOPCZXUIKICGA-PZJWPPBQSA-N 480.402 4.396 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408575101 WAGLUYUTAJFUCC-JMTGYTTLSA-N 493.947 4.496 5 40 JIBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1OC 2245649 FFRJHYYILCXFOT-LJQANCHMSA-N 499.571 4.042 5 40 JIBB O=C(OCc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1O 3320572 MVUSZZCTAVDYBB-UHFFFAOYSA-N 462.867 4.112 5 40 JIBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)cc([N+](=O)[O-])c1 6143783 PPXDWUPYWINXOW-UHFFFAOYSA-N 470.401 4.223 5 40 JIBB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@H]2C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 12312092 CAPZOPIQMFTZHE-QFIPXVFZSA-N 485.949 4.311 5 40 JIBB Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])n1 12566706 YUWVGIAVFSTMHO-GFCCVEGCSA-N 487.515 4.424 5 40 JIBB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 12660908 OZFGKHCWNXIKNT-HZPDHXFCSA-N 456.495 4.134 5 40 JIBB COC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCC(C)C 225770584 RJIPGSZIMJGWCF-UHFFFAOYSA-N 456.495 4.103 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408568205 SIHRXNMGQOZLJN-JHMXWDHMSA-N 463.921 4.441 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408647477 JIQVJKHTKQPOBM-GQWLDOHISA-N 495.919 4.218 5 40 JIBB O=C1N/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 409011619 NYFLCQZNWRYNSH-UNOMPAQXSA-N 467.279 4.241 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1 409177401 DHRWLPIFGCCAND-UDWIEESQSA-N 480.477 4.259 5 40 JIBB CC(C)n1cc(CCCC(=O)N2C[C@@H]3C[C@H](C2)Cn2c3ccc([N+](=O)[O-])c2=O)c2ccccc21 888089085 HDFVPOZDKGFBHG-QUCCMNQESA-N 462.550 4.261 5 40 JIBB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)nc1C 2703394 ZNROSZIGFFOGJD-QGZVFWFLSA-N 477.454 4.003 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13076128 QOMJWPLDOUAFBW-MQVJKMGUSA-N 450.582 4.388 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)c(Cl)c1)c1cccc([N+](=O)[O-])c1 14273590 NOYSAYBRFHBLFI-UHFFFAOYSA-N 454.870 4.056 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)cc1 15424136 WQFYPMYHPZGNTF-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cccc(C)c4nc3n(CCc3ccccc3)c2=N)cc1C 100940509 XHWPBZMAXDNVLA-UHFFFAOYSA-N 498.608 4.129 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c1 101217299 YBVDIFBWHOGWLW-VSKRKVRLSA-N 479.876 4.308 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 103555799 ZAJZEBMSWRSZNK-POTDNYQPSA-N 493.519 4.031 5 40 JIBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225520726 CBCXWQNTHNVVDP-RXVVDRJESA-N 471.554 4.013 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408676668 BCKWBEWAEZYNJY-XMCHAPAWSA-N 455.898 4.227 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2117133 WSUBWCVVSUMUMN-IGKIAQTJSA-N 480.524 4.270 5 40 JIBB biogenic CCOC(=O)c1c(NC(=O)CCCn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CCCC2 2601662 RCCXSLHPYHKYOT-UHFFFAOYSA-N 454.936 4.289 5 40 JIBB COc1cc(NC(=O)COC(=O)c2ccccc2OCc2ccccc2)c(C)cc1[N+](=O)[O-] 9510073 RULLOHCRWSPGSB-UHFFFAOYSA-N 450.447 4.286 5 40 JIBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCc1cc(=O)oc2cc3c(cc12)CCC3 9582801 HXASVTAXGKZFIW-UHFFFAOYSA-N 462.380 4.364 5 40 JIBB O=C(O[C@H](C(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccccc1)c1ccc(-n2cccn2)nc1 12935675 UFTZKNBRFWZCAJ-NRFANRHFSA-N 477.864 4.366 5 40 JIBB CCOC(=O)/C=C1\SCC(=O)N1CCSc1nc2ccccc2c2nc3ccccc3n12 14070224 GZPHPVYVJCHVMH-MOSHPQCFSA-N 464.572 4.108 5 40 JIBB CCCCn1nc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2)c1C 14405303 DIRFXDWUJIOLIG-UHFFFAOYSA-N 471.539 4.261 5 40 JIBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 22278877 BDUQJDDMFGYLDR-UHFFFAOYSA-N 479.436 4.448 5 40 JIBB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc([N+](=O)[O-])cc3)ccc21 46007468 JBDOWMRSUXBTAY-UHFFFAOYSA-N 451.527 4.358 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)Cc1cccc2ccccc12 103628027 CQNSXOMSRLSZOW-QVTSOHHYSA-N 494.551 4.230 5 40 JIBB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccc([N+](=O)[O-])cc1 2251377 FJCVDFYPGRBGPC-UHFFFAOYSA-N 458.268 4.227 5 40 JIBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(CC)nc32)cc1 6150865 HEUPSWYUAQZUJJ-IBGZPJMESA-N 469.545 4.424 5 40 JIBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 39760929 BGFIMVVLQGGVBQ-UHFFFAOYSA-N 474.389 4.058 5 40 JIBB C[C@@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62353315 QGYPREYDWUWKSQ-HNNXBMFYSA-N 473.455 4.311 5 40 JIBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408565367 JYUOUAHPCDGYBG-ZNCVFPSASA-N 493.947 4.450 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408647479 JIQVJKHTKQPOBM-JHVJFLLYSA-N 495.919 4.218 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(Br)cc1 409155111 BSAWXFBBGPXYSV-OQLLNIDSSA-N 462.281 4.032 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)c1ccc(Br)cc1 409344975 KMHBOTYJXNPTHT-FMQZQXMHSA-N 491.275 4.005 5 40 JIBB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1 9367928 YVLYUVJBNWQWOI-ZIAGYGMSSA-N 474.564 4.123 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)NCCC2=CCCCC2)cc1 17335221 FMPPDMBQPDVKIR-UHFFFAOYSA-N 459.524 4.025 5 40 JIBB Cc1c(OCC(=O)Nc2ccc(CN3CCOCC3)cc2)ccc2c1oc(=O)c1ccccc12 20592273 OMFDJYBGYPHSSF-UHFFFAOYSA-N 458.514 4.104 5 40 JIBB COc1cc([C@H]2[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O 248124427 DMYBEYYSUCWYDA-HKTJVKLFSA-N 487.468 4.205 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c(C)c1 409132060 KVDGUOIJFGUVQM-NRFANRHFSA-N 496.593 4.198 5 40 JIBB Cc1nc(S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)O)n[nH]1 409190607 SSUBUXAWHQAJLO-AUWJEWJLSA-N 451.258 4.262 5 40 JIBB CN(c1ccc(OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccc(F)cc1 8726529 XLGKBLSHMUNOLJ-UHFFFAOYSA-N 493.900 4.230 5 40 JIBB O=C(Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1)NCC1(c2ccccc2)CCC1 10117671 QZXHHDPQPBNXLZ-UHFFFAOYSA-N 479.558 4.176 5 40 JIBB O=C(OCCN1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1 15188469 DHXLMDCVZBORKS-UHFFFAOYSA-N 457.836 4.246 5 40 JIBB CC1=C(C(=O)N(C)C)[C@@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1c1cc(C)cc(C)c1 40152371 IOWDTQDZDSDMGG-HXUWFJFHSA-N 460.506 4.288 5 40 JIBB COC(=O)c1cc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)cc(C(=O)OC)c1 408563088 IKLSXJOLDZQPCH-WSDLNYQXSA-N 460.442 4.347 5 40 JIBB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 408583244 SUOGLRVKKPUHKX-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408688680 WNZODRXJDSUIAO-USEHDAJUSA-N 488.327 4.490 5 40 JIBB COc1ccc(NC(=O)c2cccc([N+](=O)[O-])c2)cc1S(=O)(=O)Nc1ccccc1Cl 9539939 FRXIFPVIUVLGHL-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB COc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c([N+](=O)[O-])c(OC)c1OC 10986130 ARTOROCGSZBQND-UHFFFAOYSA-N 458.496 4.083 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1SCCC12CC3CC(CC(C3)C1)C2 12541683 ZQABDVJRFKXVJH-UHFFFAOYSA-N 466.625 4.314 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 13758365 XUFBQHDQWQSUOO-ACRUOGEOSA-N 467.840 4.438 5 40 JIBB COc1ccc([C@@H](CC(=O)Nc2cccc([N+](=O)[O-])c2C)N(C)S(=O)(=O)c2ccccc2)cc1 19936240 LFGMVQXGVLTXBY-HSZRJFAPSA-N 483.546 4.302 5 40 JIBB CCCC(=O)Nc1nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2s1 22705545 VAVHDJSXSCUCTQ-UHFFFAOYSA-N 469.523 4.032 5 40 JIBB CCc1nc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)O)n[nH]1 408631117 FCBKQWQOIRRXIZ-WQRHYEAKSA-N 456.480 4.081 5 40 JIBB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)c(OCC)c1 409355371 CXWLWAVWAFULHC-RGVLZGJSSA-N 456.476 4.311 5 40 JIBB CNC(=O)c1c(NC(=O)c2ccc(Cn3nc(C)c([N+](=O)[O-])c3C)cc2)sc2c1CCCC2 2750041 YIAGIGIUFRPFGS-UHFFFAOYSA-N 467.551 4.009 5 40 JIBB Cn1c(=O)c2c(-c3cc([N+](=O)[O-])ccc3Br)n(C3CCCCCC3)cc2n(C)c1=O 8971138 BPNXXMMBHWMTMM-UHFFFAOYSA-N 475.343 4.272 5 40 JIBB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc([N+](=O)[O-])cc3)n2)cc1OC 12442291 WYXWHOWFAAWCBV-UHFFFAOYSA-N 479.518 4.411 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(N[C@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 12536547 RSISFXMHJHRLOA-OAHLLOKOSA-N 475.546 4.432 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 13576561 UOKYZKHVSLYFKN-VWQFJMCTSA-N 496.445 4.384 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@]12C(=O)Nc1ccccc12 36089844 DNHIPCVCHGGQRF-KYMCINELSA-N 497.507 4.232 5 40 JIBB CCN(CC)CCn1c(NC(=O)c2ccc(Cn3nc([N+](=O)[O-])c(Cl)c3C)o2)nc2ccccc21 4391547 OHYQEDIDEJTZOI-UHFFFAOYSA-N 499.959 4.338 5 40 JIBB Cc1ccc(N2C(=O)NC(=O)[C@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c(C)c1 9446570 OMTYQVAQPCYTCY-YIXXDRMTSA-N 484.512 4.215 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccc(N4CCCC4=O)cc3)cc2)cc1[N+](=O)[O-] 9662896 WRVDJAQVRWTSIW-UHFFFAOYSA-N 494.529 4.083 5 40 JIBB COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 9948480 GELUPSKWXKZTQW-UHFFFAOYSA-N 488.504 4.116 5 40 JIBB Cc1ccc(CCC2CCN(C(=O)c3nn(-c4ccccc4[N+](=O)[O-])c(C)cc3=O)CC2)cc1 10961836 FMMPMUNYAUYIRH-UHFFFAOYSA-N 460.534 4.243 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c(C)c1 14397311 MBTIEAGIHWMAKK-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976957 FCLLGTUEEJVPHJ-UHFFFAOYSA-N 463.471 4.141 5 40 JIBB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 57317084 LVAGEEKTXYVICD-UHFFFAOYSA-N 486.322 4.384 5 40 JIBB COc1ccc(C(=O)NCc2nnc(SCc3ccc([N+](=O)[O-])cc3)n2Cc2ccccc2)cc1 9390769 FDHYVCCEFTYETI-UHFFFAOYSA-N 489.557 4.466 5 40 JIBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccccc1C(=O)Nc1ccccc1 9469203 KTGZPNMQJUAFSJ-UHFFFAOYSA-N 488.500 4.243 5 40 JIBB Cc1nc(NC(=O)CCCn2c(=O)oc3cc([N+](=O)[O-])ccc32)sc1Cc1ccc2c(c1)OCO2 26767642 PTAUZKSFTYGNDB-UHFFFAOYSA-N 496.501 4.006 5 40 JIBB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 225176450 DTQIKUDXYCPBSH-YLJYHZDGSA-N 489.594 4.257 5 40 JIBB O=C(CSc1ccc2ccccc2n1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 8779782 ZBZIGYMJAJAHEA-UHFFFAOYSA-N 486.556 4.163 5 40 JIBB COc1cccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3ccccc3c2=O)c1 9403152 PKFBLRSSFWCYFP-UHFFFAOYSA-N 462.487 4.033 5 40 JIBB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 13129190 XHXJGCLHLPUKHW-MRXNPFEDSA-N 452.488 4.092 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)NCCCCCCCNC(=O)/C=C/c1cccc([N+](=O)[O-])c1 20457211 ZHCCOBYZGGBBIT-QUMQEAAQSA-N 480.521 4.413 5 40 JIBB Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC[C@H]2CCCO2)cc1 33447976 KDHFWWRNZVGBET-WWOVWOHCSA-N 475.501 4.229 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 57688682 CYAYESNPGGLAFN-UHFFFAOYSA-N 471.970 4.441 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 223472440 TUTRKXGBQVWSEP-DHIUTWEWSA-N 456.531 4.348 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408689693 YVPLQJMKGDSLTM-RTBURBONSA-N 453.882 4.147 5 40 JIBB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409347215 NGCHIXNXRNGCDT-UHFFFAOYSA-N 461.931 4.303 5 40 JIBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])c(Cl)cc3Cl)C2=O)CC1 409353034 XXPDQTGHTHIJBI-CHHVJCJISA-N 458.323 4.196 5 40 JIBB Cc1c(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cccc1[N+](=O)[O-] 14400062 JAEUJQSCSWDNAT-UHFFFAOYSA-N 460.339 4.395 5 40 JIBB COc1ccc(CCNC(=O)c2sc3nc(-c4cccc([N+](=O)[O-])c4)cn3c2C)cc1OC 16992571 ABOPYTGHJLRYKO-UHFFFAOYSA-N 466.519 4.269 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 102705080 KCPCMULNQZKOGI-KMDXXIMOSA-N 473.485 4.435 5 40 JIBB CC(=O)c1ccc(N2CCN(C(=O)/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)Nc3ccccc3)CC2)cc1 215732149 SQKVKUZWWKRSFM-LGUFXXKBSA-N 498.539 4.168 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408568811 URWWYZYYEWWZLB-AHNGBTAHSA-N 491.519 4.372 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(Cl)s1 3409040 SWPITYGTAOUWFK-CYBMUJFWSA-N 491.374 4.241 5 40 JIBB O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)Nc1cccc(N2CCCC2=O)c1 11657975 ACAUCARRNQHZEF-UHFFFAOYSA-N 488.500 4.129 5 40 JIBB CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc([N+](=O)[O-])ccc21 11726411 IUJABWSFOCHXAP-WCWDXBQESA-N 496.570 4.197 5 40 JIBB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC)OCCO3 13503634 JUSGXKCKBXBDAJ-UHFFFAOYSA-N 455.492 4.216 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2)cc1 14413502 MXQPEVCZAYGVLE-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB Cn1cc([C@@H]2CC(c3ccc(I)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cn1 22709010 HIPFFQTZGPVJMG-IBGZPJMESA-N 473.274 4.289 5 40 JIBB O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106722588 YIPWBTHGAKIIOZ-DHDCSXOGSA-N 466.256 4.436 5 40 JIBB CC[C@@H](NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223118238 CFSPIUCJFNJELT-DHIUTWEWSA-N 473.595 4.286 5 40 JIBB Cc1c(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cccc1[N+](=O)[O-] 225743840 DLUXWUOXXWXQRI-UHFFFAOYSA-N 455.517 4.129 5 40 JIBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1 408556340 HUYXMZNFCBRWQK-UHFFFAOYSA-N 455.492 4.355 5 40 JIBB Cc1ccccc1N1C[C@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408657519 UKQMFXOJCBPBQD-LJQANCHMSA-N 474.469 4.475 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 1642254133 CYEVTIGQHRPRKI-SWLSCSKDSA-N 454.310 4.391 5 40 JIBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 9327634 NKQXLSWWULMVAO-UHFFFAOYSA-N 485.544 4.060 5 40 JIBB COc1cc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)c([N+](=O)[O-])cc1OC 9569407 JISXZAIDVAYHGY-UHFFFAOYSA-N 497.529 4.006 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 9720946 DFACKIHETGHMON-FAPYRAKZSA-N 486.502 4.170 5 40 JIBB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 13843132 LCANJAUKJZIMAI-UHFFFAOYSA-N 495.557 4.371 5 40 JIBB COc1ccc2nc(N(CCN3CCOCC3)C(=O)c3cc4cc([N+](=O)[O-])ccc4s3)sc2c1 22998442 DXYUSLVEWOAKQC-UHFFFAOYSA-N 498.586 4.407 5 40 JIBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 224290336 BRQLQEYNMDXEFU-VWLOTQADSA-N 477.536 4.443 5 40 JIBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225556141 WSLJYVHSAOLFAR-INIZCTEOSA-N 463.987 4.423 5 40 JIBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1Oc3ccc([N+](=O)[O-])cc3[C@@H]3Oc4ccc([N+](=O)[O-])cc4[C@H](O2)N13 230126859 VJUUKKWXCXXONU-ACRUOGEOSA-N 464.346 4.287 5 40 JIBB O=C(COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1cccc([N+](=O)[O-])c1 408552267 KWWFPEQBDBHZKH-UHFFFAOYSA-N 495.435 4.432 5 40 JIBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408687411 UFDNZYJCHIVIEI-QFIPXVFZSA-N 482.470 4.110 5 40 JIBB O=C1OC(c2cc([N+](=O)[O-])ccc2Cl)=N/C1=C/c1cccc(I)c1 1435297 RLJJRTOADYVGEK-VGOFMYFVSA-N 454.607 4.197 5 40 JIBB COc1c(NC(=O)c2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3OC)cc2)cccc1[N+](=O)[O-] 1738750 MIXIHDVGSHRARB-UHFFFAOYSA-N 466.406 4.025 5 40 JIBB Cc1nn(CCc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)c(C)c1[N+](=O)[O-] 2731546 YELAQGZMGHXTKI-UHFFFAOYSA-N 476.925 4.283 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@@H]3C2=O)c1 9235648 WFWHOMVDKSSNJY-BDTNDASRSA-N 479.876 4.308 5 40 JIBB C[C@@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 9373212 NWQUWPMMIBUSKZ-GFCCVEGCSA-N 467.309 4.328 5 40 JIBB CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2C[C@]12C(=O)NC(=O)N(c1ccccc1)C2=O 102790961 AODBAAYJCSXDOF-BSCPBZPOSA-N 488.544 4.194 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1C 409143254 MEMVTPAZKXROIS-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB COCCCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409230788 GORINQDXIKBWQU-UDWIEESQSA-N 458.492 4.255 5 40 JIBB CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 8898304 ZYOKWWOVUDKROC-UHFFFAOYSA-N 479.562 4.124 5 40 JIBB CC1(C)C[C@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O 9186226 AODBAAYJCSXDOF-HDEPLQKNSA-N 488.544 4.194 5 40 JIBB CCOc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)cc1 19856040 DDELPLZONGLKAJ-UHFFFAOYSA-N 483.546 4.444 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Br 22578701 SILLDTXCEZHPQF-UHFFFAOYSA-N 467.326 4.102 5 40 JIBB CCC1(CC)C[C@H](NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)c2ccccc2O1 225176491 DTQIKUDXYCPBSH-XLIONFOSSA-N 489.594 4.257 5 40 JIBB COc1cc(Br)c(C[C@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC 1727776 XOYULGOXBAMUHS-SFHVURJKSA-N 451.381 4.400 5 40 JIBB COc1ccc2oc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)c(C)c2c1 3360061 WSYKSFQLLPSLRT-UHFFFAOYSA-N 473.488 4.200 5 40 JIBB O=C1N(c2ccccc2)C(=S)N=C(O)[C@@]12Cc1cc([N+](=O)[O-])ccc1N1CCCCC[C@@H]12 8814966 FZCCZLXWUCTEQF-XXBNENTESA-N 450.520 4.175 5 40 JIBB O=[N+]([O-])c1cc(C(F)(F)F)c(Cl)cc1N1CCC(NS(=O)(=O)c2cccs2)CC1 9377060 GIEBKCHPUHBKSG-UHFFFAOYSA-N 469.894 4.276 5 40 JIBB CCn1c(COc2ccc(C)cc2[N+](=O)[O-])nc2cc(S(=O)(=O)N3CCCCC3)ccc21 22052084 HDGQGTXGTBJRRZ-UHFFFAOYSA-N 458.540 4.026 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 108914152 BANHIHOHNZMWBH-STHPQGGCSA-N 458.536 4.225 5 40 JIBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NCC(C)C 224113522 ZTDVFKBBCQMPDD-LJQANCHMSA-N 457.596 4.326 5 40 JIBB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)CCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)n1 9284109 QDSAOQMSYFIRHO-UHFFFAOYSA-N 475.486 4.133 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 44842596 YBNJECAHHOMKEE-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB Cc1cccn2c(=O)c3cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101152468 FFUKQAJEVRSNDJ-SFHVURJKSA-N 481.531 4.115 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223549615 ZVAXKVUYQXZYGO-XZOQPEGZSA-N 456.531 4.348 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225628857 AFHJCPDGESXBRN-CQSZACIVSA-N 498.363 4.231 5 40 JIBB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)O)o1 408631125 CFISIBVWRHQOAJ-RZNTYIFUSA-N 494.825 4.138 5 40 JIBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O 409203648 WZZWUWRCGUOHGR-SXGWCWSVSA-N 492.307 4.041 5 40 JIBB CSc1nccn1-c1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c1 36398273 DIZPVUCUOHHRML-LBPRGKRZSA-N 460.899 4.340 5 40 JIBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408605258 LJUJCHUVWWSOCO-CSKARUKUSA-N 468.422 4.386 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408686834 SIDHGSFDEZOMNO-ROUUACIJSA-N 474.300 4.410 5 40 JIBB COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Br)c2C)sc2c1CCCCCC2 2737913 OPDQPPUBSMFZOS-UHFFFAOYSA-N 485.360 4.008 5 40 JIBB COC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccc([N+](=O)[O-])cc2)S1 9193469 HFWYKLNDQZKLPV-NRFANRHFSA-N 470.532 4.320 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 13648597 VWJBSAVAENSQEW-NJDAHSKKSA-N 465.849 4.005 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 16293510 HEBCBIRJXDZGMA-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)ccc1Cl 20153202 NTEAINXPHAGGEW-UHFFFAOYSA-N 462.915 4.064 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 408571464 BXXUZVCRPKFJQZ-UHFFFAOYSA-N 452.294 4.041 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684779 OBAVMIOOLOTQNW-WOJBJXKFSA-N 498.333 4.256 5 40 JIBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccc([N+](=O)[O-])cc3)C2=O)ccc1Cl 409154507 OTOUAXJVTDYFPI-RQZCQDPDSA-N 489.893 4.100 5 40 JIBB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 3297211 HNAWXUFROZULPD-UHFFFAOYSA-N 451.769 4.285 5 40 JIBB CCOC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)NC2CCCCC2)c1C 3640071 IRHAVBCVFYGPRC-UHFFFAOYSA-N 459.524 4.456 5 40 JIBB COc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)cc1 6156960 DIJUOWQIIWVKKR-UHFFFAOYSA-N 491.529 4.494 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nc2sc3c(c2c1=O)CCCC3 6878231 ATUUDOXGTORZBG-UHFFFAOYSA-N 474.564 4.004 5 40 JIBB Cc1[nH]c2ccc(Br)cc2c1CCNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 8868286 NGGKUNXJZLCYOT-UHFFFAOYSA-N 472.748 4.321 5 40 JIBB Cc1nc2c3c4c(sc3n3c(SCC(=O)Nc5ccccc5C)nnc3n2n1)CCCC4 9291764 KEBCMSZUMQPBPW-UHFFFAOYSA-N 463.592 4.213 5 40 JIBB COc1ccc(-n2ccnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2Br)cc1 9670089 VFNRSRPZLYNJFM-UHFFFAOYSA-N 463.313 4.282 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c([N+](=O)[O-])c1 9981162 PBEZUEZVNBOKRR-OAHLLOKOSA-N 459.524 4.065 5 40 JIBB COc1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)[C@H]1CC=CO1 12843118 QHUIZLQBROSXKD-OAQYLSRUSA-N 466.494 4.087 5 40 JIBB COc1ccc([C@H]2S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 17219256 WLJPFGZFSLROGT-WNRWPCNTSA-N 475.526 4.492 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCCN12 408569802 XYYPGRIXRFTLRT-CLPFNFTISA-N 473.504 4.459 5 40 JIBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 408641555 CRJRDBWUACZEMA-AWEZNQCLSA-N 477.860 4.173 5 40 JIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1)NCc1ccc2c(c1)OCO2 8686409 ICPAAJPMSDMFHD-UHFFFAOYSA-N 462.487 4.071 5 40 JIBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(Cl)ccc1Cl 9507691 QKMVTBSSSCHPLG-UHFFFAOYSA-N 458.304 4.443 5 40 JIBB COc1ccc([N+](=O)[O-])cc1CNc1cc(S(=O)(=O)N2CCCCC2)ccc1OC(C)C 9724966 ZJTXXYWHLBCRHM-UHFFFAOYSA-N 463.556 4.177 5 40 JIBB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(NCc2ccccc2Cl)c([N+](=O)[O-])c1 12546788 FGPJPXWQCRAULE-QGZVFWFLSA-N 453.882 4.430 5 40 JIBB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 32853684 WGLQAPOQUDKSJT-SANMLTNESA-N 484.560 4.049 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccccc2C)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101112331 HCMIPOKVLUZALI-OLFWJLLRSA-N 472.545 4.066 5 40 JIBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408663991 YMOLBGRQFQITRT-LJQANCHMSA-N 474.469 4.475 5 40 JIBB O=C1N/C(=C/c2ccccc2Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])C(=O)N1Cc1ccccc1 409193528 FJRKVYPSZFIRNW-LDADJPATSA-N 460.402 4.388 5 40 JIBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 6150660 MPGWYACQHUPLTP-HNNXBMFYSA-N 490.907 4.333 5 40 JIBB CCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 14279243 YXFOHZGOYKMJCY-UHFFFAOYSA-N 485.972 4.159 5 40 JIBB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 107548847 FTYLCGBRXVSMMJ-GQIGUUNPSA-N 466.563 4.327 5 40 JIBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2ccc(OC)c(Br)c2)cc1 408573503 SZJLTZOESCTERG-SFHVURJKSA-N 479.356 4.466 5 40 JIBB COc1ccc(C(=O)Nc2ccc([N+](=O)[O-])c(NC(=O)c3ccc(OC)c(OC)c3)c2)cc1OC 8432443 QPOPJMGBVWNPPX-UHFFFAOYSA-N 481.461 4.134 5 40 JIBB O=c1[nH]c(/C=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)c([N+](=O)[O-])c(=O)[nH]1 9295489 ZHXQKKSSPPXDNG-SOFGYWHQSA-N 457.273 4.452 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1[N+](=O)[O-] 9378492 TUYXSOMCFATLNK-UHFFFAOYSA-N 479.470 4.063 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 15100650 QDPQEHLOFFDVCR-UHFFFAOYSA-N 499.520 4.348 5 40 JIBB O=C(CCC(=O)OCC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(Br)cc1 20095193 ZBLFERVMQUHFPZ-UHFFFAOYSA-N 469.675 4.156 5 40 JIBB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)CC2)cc1 22565193 MDFVJMJNYFSBIM-UHFFFAOYSA-N 458.518 4.426 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1Br 22718099 JPSJWVYCCBUBAQ-UHFFFAOYSA-N 481.353 4.493 5 40 JIBB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc3)o2)cc1 39753854 ZXNXWNDWMVKYNZ-UHFFFAOYSA-N 459.418 4.158 5 40 JIBB CC[C@H](NC(=O)[C@@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223118299 CFSPIUCJFNJELT-XZOQPEGZSA-N 473.595 4.286 5 40 JIBB COc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 223365109 ACPASPXJUAKREV-GOSISDBHSA-N 491.610 4.459 5 40 JIBB CC[C@@H](NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225530434 BHEFRWJMKFJUJJ-WOJBJXKFSA-N 477.583 4.032 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409159978 OQUDNRBXECAITP-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB O=C(N[C@@H](OC[C@@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 9033392 CYCWZGBHULTEAA-LESCRADOSA-N 464.777 4.302 5 40 JIBB biogenic COc1cc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)c([N+](=O)[O-])cc1OC 9367682 DBQWDRWVFDAFDL-UHFFFAOYSA-N 460.899 4.450 5 40 JIBB CN(Cc1ccco1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)cc1 10220672 HNTVPLNUFLXYPR-UHFFFAOYSA-N 498.542 4.384 5 40 JIBB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1 12660910 OZFGKHCWNXIKNT-IYBDPMFKSA-N 456.495 4.134 5 40 JIBB O=C(Nc1ccccc1[N+](=O)[O-])c1cccc(S(=O)(=O)Oc2ccccc2Br)c1 13305752 SYEMYGROAUWXAJ-UHFFFAOYSA-N 477.292 4.377 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 18067429 LYZIFPAOTGDOBL-BDTNDASRSA-N 463.877 4.295 5 40 JIBB C[C@@H](OC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 22169584 JFIKXKYNBISREX-JYBNPQIESA-N 453.234 4.214 5 40 JIBB O=c1c2ccccc2[nH]c2c1cnn2-c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1[N+](=O)[O-] 89866505 MMNRRBZSSHGVOH-UHFFFAOYSA-N 495.904 4.229 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224699965 KVKFNHPYQXLYOK-IBGZPJMESA-N 483.565 4.157 5 40 JIBB COc1cccc(C(=O)COC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)c1 408644579 HASBTQFHZDDVEW-HXUWFJFHSA-N 474.469 4.049 5 40 JIBB CC1=NN(c2ccccc2)C(=O)[C@H]1[C@H](c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c2ccccc2)N=C1C 1505840534 MFTZZQZPWIORHA-LNWKWYTESA-N 497.511 4.462 5 40 JIBB O=C(COC(=O)Cc1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)Nc1ccc(F)cc1 9165346 BKOYYMRTDMUYBG-UHFFFAOYSA-N 474.448 4.311 5 40 JIBB Cc1c(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cccc1[N+](=O)[O-] 9569436 JACXMBLUYULBMU-UHFFFAOYSA-N 469.494 4.436 5 40 JIBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1c(C)cc(C)cc1[N+](=O)[O-] 19929409 JJSJGXWLKCMFTD-UHFFFAOYSA-N 485.566 4.162 5 40 JIBB CC(=O)N1CCN(c2ccc(NC(=O)c3sc4c([N+](=O)[O-])cccc4c3Cl)cc2)CC1 21595620 XMYAZZKQCQOHSR-UHFFFAOYSA-N 458.927 4.384 5 40 JIBB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2)c1 57222990 IESSMZCAHPMEHT-UHFFFAOYSA-N 488.544 4.346 5 40 JIBB CCn1c(S/C(=C\c2ccc(OC)c([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408633512 NSFKMMXSQUNRJW-OCKHKDLRSA-N 486.506 4.117 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409047945 QCAFCTHJPSKLTG-ZQFKLAOWSA-N 488.883 4.267 5 40 JIBB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409071207 FZNMQVIQDQCMIB-VMSYHEBLSA-N 481.280 4.215 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(C)c([N+](=O)[O-])c1 2213264 UYGDPKXVTXOMON-UHFFFAOYSA-N 472.505 4.235 5 40 JIBB O=c1[nH]c(=O)c2ccc3c4ccc5c(=O)n(-c6ccccc6)c(=O)c6ccc(c7ccc1c2c73)c4c65 5386999 GXVMPSBKWSPHIF-UHFFFAOYSA-N 466.452 4.479 5 40 JIBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1)c1ccc([N+](=O)[O-])cc1 9062368 LHXRSYVGKPAUGR-UHFFFAOYSA-N 474.389 4.058 5 40 JIBB COc1ccccc1-n1cnnc1SCC(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9866944 BNKJOECYONHKHJ-UHFFFAOYSA-N 468.520 4.038 5 40 JIBB Cc1ccc(S(=O)(=O)CCC(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)cc1 16309095 OGVBVEWCEKJDOD-UHFFFAOYSA-N 483.498 4.285 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccs1 103164512 VSCXYWKDANQHNM-HPNDGRJYSA-N 476.558 4.134 5 40 JIBB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc([N+](=O)[O-])cc2)C1 408641148 KTXYJZPXIAQTOC-LLVKDONJSA-N 452.692 4.311 5 40 JIBB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1C 408679259 VQUYIRRBPJLEGF-UHFFFAOYSA-N 473.482 4.169 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2ncn1C[C@H]1CCCO1 2251213 IHIUNZVHIFEZDS-CQSZACIVSA-N 476.880 4.024 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3234923 UVFQVDMLEWEPOW-UHFFFAOYSA-N 498.467 4.312 5 40 JIBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(CC)nc32)cc1 6150866 HEUPSWYUAQZUJJ-LJQANCHMSA-N 469.545 4.424 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=N[C@@]1(O)C(F)(F)F 17197954 QPTLBAXNYGFGCH-UEXGIBASSA-N 475.379 4.163 5 40 JIBB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(C)c1 20004821 RVCGGZYTIJEUMR-HSZRJFAPSA-N 481.574 4.357 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NC[C@@H](C)Cn2ccnc2C)c([N+](=O)[O-])c1 58061383 HCXMFBFPIXUCRH-QGZVFWFLSA-N 457.556 4.063 5 40 JIBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(O)cc2)C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102706701 VWJBSAVAENSQEW-PCCBWWKXSA-N 465.849 4.005 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408700502 GZCGKEZVQZEWQS-UHFFFAOYSA-N 451.932 4.374 5 40 JIBB O=C(CSc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408989163 HDJSEBYMMKBEIJ-UTKZUKDTSA-N 469.544 4.267 5 40 JIBB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408991371 ZYVUTYPFFIFGRW-MOSHPQCFSA-N 458.426 4.476 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3ccccc3[N+](=O)[O-])cc2)cc1C 9191902 JTKAVFWJBXKFLZ-KRWDZBQOSA-N 469.519 4.418 5 40 JIBB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9223054 CQIYJGCTEAFNAE-LLVKDONJSA-N 456.509 4.226 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13813738 FMGTUNYTVQMLOI-OHTANWTRSA-N 486.553 4.117 5 40 JIBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1c([N+](=O)[O-])ccc(C)c1C 14269677 KZMQETXNMHAGSB-UHFFFAOYSA-N 452.330 4.418 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(Cl)cc12 15971092 LHWAUNQNILQLOD-CGYQNGNCSA-N 451.866 4.217 5 40 JIBB O=C(COc1ccc2ccccc2c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 33508452 XUJPLUCGJXREHB-UHFFFAOYSA-N 474.561 4.466 5 40 JIBB CN(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 39745541 LEJCRGWYWUZIQE-UHFFFAOYSA-N 472.461 4.215 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)cc2)cc1 39765492 KDKJYASTVKXMEB-UHFFFAOYSA-N 495.542 4.475 5 40 JIBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3[N+](=O)[O-])c(OCC)c2)C1=O 205671288 NIMODWFWYKILNB-UDWIEESQSA-N 486.502 4.172 5 40 JIBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(Br)ccc2OC)cc1 408565070 BCCUPYOXFDBFAP-GOSISDBHSA-N 479.356 4.466 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)cc1 6280135 LPBGLNBNGDXFDO-UHFFFAOYSA-N 476.518 4.285 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2)ccc1NCCc1cnn(-c2ccccc2)c1 8725713 IYNOISLLCQEYIQ-UHFFFAOYSA-N 463.519 4.236 5 40 JIBB COc1cc(/C=C/C(=O)Nc2c3c(nn2-c2ccc([N+](=O)[O-])cc2)CSC3)cc(OC)c1OC 9390989 OAEQFSDCKBUIMX-RUDMXATFSA-N 482.518 4.205 5 40 JIBB CCCCN1C[C@H](C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1=O 10461823 FTQFTQOTVMGXTA-OAHLLOKOSA-N 458.902 4.088 5 40 JIBB CCOC(=O)C1=C(N)Oc2c(c(=O)sc3ccccc23)[C@H]1c1ccc([N+](=O)[O-])c(Cl)c1 12859335 FFNJPLCXHCFOMY-OAHLLOKOSA-N 458.879 4.081 5 40 JIBB Cc1c(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3Cl)CC2)cccc1[N+](=O)[O-] 15790722 IMEPDTCOKOWPAV-UHFFFAOYSA-N 472.350 4.249 5 40 JIBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccccc2F)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976966 VDZUREWLIAOABX-UHFFFAOYSA-N 481.461 4.280 5 40 JIBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20611586 XBFYXCUZMXVGLM-UHFFFAOYSA-N 489.370 4.437 5 40 JIBB Cc1ccc(N2C(=O)C[C@@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@H]2c2cccs2)cc1 21469392 UITBVEQRXQAWHA-HXOBKFHXSA-N 479.514 4.241 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 139030974 NEUYRGUWXYPJLC-IEBWSBKVSA-N 453.882 4.147 5 40 JIBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 408706134 VTNXCKAVWKHYID-UHFFFAOYSA-N 495.966 4.467 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] 409042556 NHPPQZMLCLFEDF-OJKWPBSESA-N 482.492 4.265 5 40 JIBB O=C(c1cc2cc(Br)ccc2oc1=O)N1CCS[C@H]1c1cccc([N+](=O)[O-])c1 713730 ZRVZENMNDNJDNQ-SFHVURJKSA-N 461.293 4.352 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)C1 13680936 ZFXBNIOXTIHSRD-CYBMUJFWSA-N 472.350 4.082 5 40 JIBB O=C(CCC(=O)OCC(=O)c1ccc(Oc2ccc([N+](=O)[O-])cc2)cc1)NCc1ccccc1 13856563 GXGCXPVZRSMSBS-UHFFFAOYSA-N 462.458 4.210 5 40 JIBB CCOc1ccc(-c2nc(CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cs2)cc1OC 16046519 DWJYWCFBLFAGMJ-UHFFFAOYSA-N 454.552 4.448 5 40 JIBB CN(c1ccc(OC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccccc1F 89365250 RKUJJKFDGLOLIH-UHFFFAOYSA-N 464.858 4.432 5 40 JIBB N=c1c(C(=O)Nc2ccccc2Cl)cc2c(=O)n3ccccc3nc2n1CCc1ccccc1 101346966 BQATWEIOUIDHBI-UHFFFAOYSA-N 469.932 4.277 5 40 JIBB O=C(COC(=O)CCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 408664612 CMFIWOAORFKMCP-UHFFFAOYSA-N 473.791 4.168 5 40 JIBB Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409140187 FVOZPHOPVFVVHS-UHFFFAOYSA-N 452.521 4.245 5 40 JIBB COc1ccccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409182344 KWFWVBHRWJCHIK-RUZDIDTESA-N 462.458 4.490 5 40 JIBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2254275 FQSMTYWIYXDZCY-QGZVFWFLSA-N 459.937 4.484 5 40 JIBB Cc1nn(CCNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(C)c1[N+](=O)[O-] 2796343 IFQLHDYIKKKJGB-UHFFFAOYSA-N 453.282 4.317 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccccc1Br 6878398 UFRYQARCQHOJLS-UHFFFAOYSA-N 492.355 4.375 5 40 JIBB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OCC)c([N+](=O)[O-])c1 8856306 ANSKBJUKBNYZOF-QHCPKHFHSA-N 491.504 4.037 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@H](Cc1ccccc1)c1ccccc1 9127276 ATWQNLPDDNPKQT-HSZRJFAPSA-N 467.547 4.012 5 40 JIBB COC(=O)c1ccc(CSc2nnc(SCc3cc([N+](=O)[O-])cc4c3OCOC4)s2)o1 9348996 HTGGCCPHBASPKU-UHFFFAOYSA-N 481.533 4.277 5 40 JIBB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)ccc1C 9584879 AZTAULUFFWVJIS-ACCUITESSA-N 467.503 4.365 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 12604428 OZBHLRSCDSENGB-GOSISDBHSA-N 460.309 4.463 5 40 JIBB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 16524006 HFCGTPUUBHNNDK-UHFFFAOYSA-N 478.896 4.071 5 40 JIBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 35403517 DEABHHUKQXDFBJ-UHFFFAOYSA-N 458.946 4.210 5 40 JIBB Cc1ccc(Cn2c(=N)c(S(=O)(=O)c3ccc(C)c(C)c3)cc3c(=O)n4cccc(C)c4nc32)cc1 100940500 GWAUUFJIYQMLGE-UHFFFAOYSA-N 498.608 4.243 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408685178 OXTVSUZKEWOXDL-FEBSWUBLSA-N 488.327 4.490 5 40 JIBB O=[N+]([O-])c1c(Nc2ccc(I)cc2)cc(N2CCCCC2)c2nonc12 9089606 LZPTZCZXWUQLQM-UHFFFAOYSA-N 465.251 4.470 5 40 JIBB COc1c(Br)cc(Br)cc1CNCCNc1ccc([N+](=O)[O-])cc1 16194482 DLWSCGXGJBAXRH-UHFFFAOYSA-N 459.138 4.330 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccncc3)cc2)cc1[N+](=O)[O-] 26001432 VMNXSIIOVJGWEC-NRFANRHFSA-N 466.519 4.076 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224471654 AKPRBJYPPPAHOR-SFHVURJKSA-N 498.363 4.233 5 40 JIBB Cc1nc(-c2ccc([C@@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)cc2)cs1 12797945 WINGFXAWHPCRFN-OAHLLOKOSA-N 488.591 4.221 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])CC2 12978580 ARCNDIYNAUVNHD-VWLOTQADSA-N 465.481 4.337 5 40 JIBB COc1ccc(Cc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1OC 13856485 WDJOJVHTAQFHBQ-UHFFFAOYSA-N 494.323 4.323 5 40 JIBB C[C@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449634 ZMEQCUQHVCJVCQ-AWEZNQCLSA-N 455.467 4.126 5 40 JIBB CC(C)OC(=O)C[C@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccccc1[N+](=O)[O-] 21710002 ZVYWGBZYTKNQMH-INIZCTEOSA-N 492.504 4.458 5 40 JIBB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225104168 MJAIPJBSYWYOCT-JOCHJYFZSA-N 457.596 4.470 5 40 JIBB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9373422 BMVZCPNDDGRKAG-CQSZACIVSA-N 469.523 4.184 5 40 JIBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222543758 ICGLEJDYAMIVPM-DEOSSOPVSA-N 495.576 4.353 5 40 JIBB O=C(CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 409056688 HYRBTKFJSUIPJV-UHFFFAOYSA-N 477.901 4.217 5 40 JIBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1C 4157038 FWXNKUUCAGLWHH-UHFFFAOYSA-N 458.426 4.052 5 40 JIBB COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1 9334840 IFZCGEDPQUXAFJ-RQTOMXEWSA-N 459.458 4.045 5 40 JIBB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 9716259 RUITXIPLCIQDTN-UHFFFAOYSA-N 456.495 4.481 5 40 JIBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269583 OFWBKQRFOIQWOA-UHFFFAOYSA-N 463.903 4.274 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 14831568 PVDAWWVXIGNURP-GIDUJCDVSA-N 467.503 4.446 5 40 JIBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222866004 NCHUWOJPLPNMPF-INIZCTEOSA-N 461.559 4.299 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cc(Cl)cc([N+](=O)[O-])c2O)C1=O)Nc1ccccc1Cl 409243320 XNVGMTWVFNCMBD-MKMNVTDBSA-N 468.274 4.282 5 40 JIBB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 9062159 UKNNMXAZWLZLPN-UHFFFAOYSA-N 481.515 4.166 5 40 JIBB Cc1cc(=O)c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)nn1-c1ccccc1[N+](=O)[O-] 9313874 MXXJMXGVTKHCGC-OAHLLOKOSA-N 456.911 4.069 5 40 JIBB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 9327951 NCTAUPPUHLFVII-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18091218 LJXSTPREHRDJNC-BDTNDASRSA-N 461.499 4.368 5 40 JIBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)c1ccc(Cl)cc1 2459606 NONBULBOGYCANM-UHFFFAOYSA-N 459.936 4.417 5 40 JIBB O=C1c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C(=O)N1c1ccccc1I 3075087 DDKOJFHTYDCGAN-UHFFFAOYSA-N 489.181 4.061 5 40 JIBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)N2CCCC2)c1 8824889 VTWSXPXWBLNBAF-UHFFFAOYSA-N 489.497 4.129 5 40 JIBB O=C(CSc1nnc(CCc2ccccc2O)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 9290917 UZVZUPJFHPEEOA-UHFFFAOYSA-N 475.530 4.397 5 40 JIBB O=C(OCCN(C1=NS(=O)(=O)c2ccccc21)c1ccccc1Cl)c1cccc([N+](=O)[O-])c1 9850370 QJBMRNPWRHGUPO-UHFFFAOYSA-N 485.905 4.061 5 40 JIBB CC[C@H](NC(=O)CN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1)c1ccccc1 20454428 BLJDCEDAJOELQK-QHCPKHFHSA-N 497.573 4.375 5 40 JIBB Cc1cc(=O)c(C(=O)Nc2ccc(CN3CCCC[C@H]3C)cc2)nn1-c1ccccc1[N+](=O)[O-] 40119468 FZVBZADPDLZBEA-QGZVFWFLSA-N 461.522 4.076 5 40 JIBB Cc1ccc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2)c1 225937891 KFUZWSNQHZKJKD-UHFFFAOYSA-N 453.520 4.041 5 40 JIBB COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 248126332 GGDLLVHIXFVNHN-CXSMSNRLSA-N 457.486 4.089 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1C 409324214 RORGJPSCSQFSMJ-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9373671 ZIBICTLBYLJCIJ-UHFFFAOYSA-N 498.580 4.471 5 40 JIBB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9403189 LBYCEOITBDNALI-IFXJQAMLSA-N 458.898 4.331 5 40 JIBB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3C[C@@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1C 12547085 BPXCDCOJAQLWDU-OKILXGFUSA-N 455.511 4.264 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl 16312720 MERONNMQEONWNT-UHFFFAOYSA-N 453.351 4.047 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]21 408677848 CCMRKDLEPZWWQQ-HEFCMCLBSA-N 453.882 4.003 5 40 JIBB Cc1nc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n(C[C@H]2CCCO2)c1C 12520024 VKDSWHFRHHETOF-QGZVFWFLSA-N 473.580 4.441 5 40 JIBB Cc1ccc(-c2ccsc2C(=O)N2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3C)CC2)cc1 12999703 UCHZXFXDENWFQN-UHFFFAOYSA-N 485.587 4.087 5 40 JIBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cc(OC)ccc2OC)c1C 20295065 CTVHHSAKQAMRSR-UHFFFAOYSA-N 499.501 4.273 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 96791732 XUFBQHDQWQSUOO-HBMCJLEFSA-N 467.840 4.438 5 40 JIBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223062307 LBZFLDWNKQPAGP-QGZVFWFLSA-N 473.595 4.169 5 40 JIBB COc1ccc(OC)c(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)NC(=O)OCc2ccccc2)c1 409000636 FDGQAROUXBTPGX-QFIPXVFZSA-N 479.489 4.088 5 40 JIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409194769 QYESKGOVLPQBIP-WBDHZMATSA-N 485.408 4.466 5 40 JIBB O=C1CCCC(=O)C1([C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12)[C@H](C[N+](=O)[O-])c1c[nH]c2ccccc12 2198890 GRJHRPQCVUASFH-NHCUHLMSSA-N 488.500 4.379 5 40 JIBB CCCN1C(=O)c2ccccc2[C@@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9246244 GJMPTYQTKUJJHL-QHCPKHFHSA-N 465.531 4.350 5 40 JIBB O=C(Oc1ccc(C(=O)c2ccc(F)cc2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 12649555 VFKGABBUHGPTGX-UHFFFAOYSA-N 450.422 4.021 5 40 JIBB Cc1ccc(C(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1[N+](=O)[O-] 13148869 TWFHHGRPLPIUFN-NSHDSACASA-N 455.345 4.057 5 40 JIBB COc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c([N+](=O)[O-])c(OC)c1OC 21589016 ILXKVSQQSLJGAP-UHFFFAOYSA-N 454.464 4.249 5 40 JIBB CCOc1ccccc1NC(=O)COc1ccc(/C=C\c2onc(C)c2[N+](=O)[O-])cc1OC 33752143 MHFAZYBHQLCDBY-BENRWUELSA-N 453.451 4.486 5 40 JIBB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 199430537 PHQDZOUOIBRZEG-UHFFFAOYSA-N 492.488 4.222 5 40 JIBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)o2)c1 260922629 QPYFWRRQBXLGCE-VOQZNFBZSA-N 450.520 4.401 5 40 JIBB CCOc1cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc(I)c1OC 408620892 MSNCZIFCVSPRSA-UHFFFAOYSA-N 456.236 4.167 5 40 JIBB O=C(O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409145622 QLKKBDFUQJVGGL-LZYBPNLTSA-N 493.291 4.057 5 40 JIBB O=[N+]([O-])c1cnn(Cc2ccc(-c3nnc(Nc4ccn(Cc5ccccc5)n4)s3)cc2)c1 2731562 WQZIOZFCFJCOTR-UHFFFAOYSA-N 458.507 4.347 5 40 JIBB O=[N+]([O-])c1cc([N+](=O)[O-])c2ccccc2c1NS(=O)(=O)c1ccc(Br)cc1 5395373 HRYLOGYMMHKSGH-UHFFFAOYSA-N 452.242 4.220 5 40 JIBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 8765829 IGOZAYIVSMPMHY-UHFFFAOYSA-N 494.481 4.472 5 40 JIBB O=C(COC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Br)cc1F 9120781 MOTMRJOFIBKOBF-UHFFFAOYSA-N 494.195 4.109 5 40 JIBB COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)cc1 9355738 GVGBMQBCKYLUFO-UHFFFAOYSA-N 472.523 4.177 5 40 JIBB CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3cc(C)ccc3N12 9357824 HVBIPJRYXMKNMB-GSTLAZBSSA-N 493.519 4.465 5 40 JIBB CCCOc1ccc(-c2csc(NC(=O)CCN3C(=O)c4cccc([N+](=O)[O-])c4C3=O)n2)cc1 9465569 FLRFQVXGCBEFMS-UHFFFAOYSA-N 480.502 4.132 5 40 JIBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O 9982210 GTSUCWMXJFZJLX-XMMPIXPASA-N 476.514 4.152 5 40 JIBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1ccccc1Cl 12566708 MLNKWELASWHUMV-KRWDZBQOSA-N 457.335 4.497 5 40 JIBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 101098435 CWLJDEBOUGZFCW-CJKMCJCZSA-N 452.301 4.238 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](C1=O)C(c1ccc([N+](=O)[O-])cc1)=NN2c1ccccc1 103769159 DAPJEZMBURUODK-UNMCSNQZSA-N 460.877 4.339 5 40 JIBB COc1ccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)cc1NS(=O)(=O)c1ccc(F)cc1 3358659 VYQUBOHNIOLTTN-YIXHJXPBSA-N 471.466 4.195 5 40 JIBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc(N2CCC(C)CC2)c([N+](=O)[O-])c1 9634622 MZUXLFHCPGDCJZ-UHFFFAOYSA-N 491.548 4.429 5 40 JIBB Cc1nc(SCC(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)[nH]c1Cc1ccc(O)cc1 12372053 DPXWACYWSNXDEF-UHFFFAOYSA-N 455.521 4.263 5 40 JIBB O=C(Nc1cc(-n2ccnc2)c(F)cc1[N+](=O)[O-])c1nc(-c2ccccc2)n(-c2ccccc2)n1 12576236 VZACDLMOVVKFBK-UHFFFAOYSA-N 469.436 4.420 5 40 JIBB COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)(C)C)n2)cc1OC 22257511 UHXZXVSUQJSJPZ-UHFFFAOYSA-N 484.509 4.177 5 40 JIBB Cc1ccc(CN2CCCN(C(=O)c3ccc(Cn4nc(C)c([N+](=O)[O-])c4C)cc3)CC2)cc1 29826526 JCIJPXNSFAFECK-UHFFFAOYSA-N 461.566 4.113 5 40 JIBB O=C(NCCN1C(=O)S/C(=C/c2cccs2)C1=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 96544324 HMUUCEDQWLAJRB-LDADJPATSA-N 469.500 4.383 5 40 JIBB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409138571 DVTURYYIEWOQCV-LZYBPNLTSA-N 493.291 4.057 5 40 JIBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)scc12 9381422 JXAPWIFDYQRTQV-UHFFFAOYSA-N 478.486 4.093 5 40 JIBB O=C(CCNC(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c(C(F)(F)F)c1 9639530 VEUOWEQUPBHEEE-UHFFFAOYSA-N 460.206 4.135 5 40 JIBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c(OC)cc1Cl 14274376 WMILYNCFOQFHFM-UHFFFAOYSA-N 478.958 4.383 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(Cl)cc12 16033199 KYWHEGPNHHAKID-GQOCTPOGSA-N 462.893 4.019 5 40 JIBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 32125389 XATSEFBYSIPEAT-ONNFQVAWSA-N 456.930 4.205 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35851832 YEFGLTRQXFZXPC-KWNHSTDBSA-N 486.553 4.117 5 40 JIBB Cn1cnnc1SCC(=O)Nc1ccc2nc(SCc3ccc([N+](=O)[O-])cc3)sc2c1 59364920 YLZYZHZEHLKPCE-UHFFFAOYSA-N 472.577 4.356 5 40 JIBB COc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Br)c1O 205697703 UBBLNHCQWIOPNH-OVCLIPMQSA-N 465.281 4.308 5 40 JIBB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225633573 XRWOUXMRXSVNAJ-AWEZNQCLSA-N 452.338 4.386 5 40 JIBB CCOc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCC(=O)Nc1cccc(Cl)c1 409340255 SWCCJBIHVCGDDU-CLFYSBASSA-N 486.868 4.036 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@@H]2CCCO2)c1 976410 DTGFIGWPACJXDR-IBGZPJMESA-N 453.524 4.072 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 9231888 UYLSKRKEFAYLLS-SNVBAGLBSA-N 483.116 4.111 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)Nc1ccccc1[N+](=O)[O-] 13141104 QHZJZXNVKJMRCT-UHFFFAOYSA-N 450.451 4.164 5 40 JIBB COc1ccc([C@H]2c3sc(S)nc3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1 16754423 JVDKEMULXKCWNZ-BFYDXBDKSA-N 485.568 4.144 5 40 JIBB CCOc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OCC)cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1 20176154 ZGGWDVGUEONMIE-UHFFFAOYSA-N 495.448 4.200 5 40 JIBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)c1 33777857 VPIXXQQBOJHAIO-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 101094959 TVXUPODSUZCLEI-FKBYEOEOSA-N 479.876 4.308 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408640585 JMBGSQYUQRXPNI-SNVBAGLBSA-N 468.691 4.011 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)[C@@H]1CCC 9240743 MXUQDSQHKAZUFL-BKMJKUGQSA-N 494.548 4.204 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 13576564 UOKYZKHVSLYFKN-WSCWJOSJSA-N 496.445 4.384 5 40 JIBB Cc1c(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cccc1[N+](=O)[O-] 22747783 ADXUSOOTMWOLTD-UHFFFAOYSA-N 489.601 4.352 5 40 JIBB Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1C 409156561 GJMIWESTKRNIKZ-HXUWFJFHSA-N 482.566 4.188 5 40 JIBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)nnc2-c2ccncc2)cc1 6194269 VMADOELWVGPEMZ-UHFFFAOYSA-N 476.518 4.285 5 40 JIBB CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc([N+](=O)[O-])cc2)N[C@H]1c1ccc(OC)cc1 6545383 WOOQCINSCMLUDT-NRFANRHFSA-N 469.519 4.057 5 40 JIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccc(F)cc1)NCc1ccc2c(c1)OCO2 8707299 CQPHWOKBECESDE-UHFFFAOYSA-N 480.477 4.210 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)o1 9226299 OQEMQTNPPWBYPU-UHFFFAOYSA-N 464.887 4.258 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20082675 IPWIVXRFWXSEAS-KIHHCIJBSA-N 483.455 4.132 5 40 JIBB Cc1cc(C(=O)N[C@@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc(C)c1[N+](=O)[O-] 8386073 NMAALCUKHBNXDM-QHCPKHFHSA-N 490.512 4.187 5 40 JIBB Cn1nc(C(F)(F)F)c(CNS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c1Oc1ccccc1 8762084 CDWAWAPVTOSWNS-UHFFFAOYSA-N 490.847 4.271 5 40 JIBB O=C(NC(=S)Nc1ccc([N+](=O)[O-])cc1Br)c1cccc(Br)c1 9064935 ZUNXUVAIGMXBQB-UHFFFAOYSA-N 459.119 4.247 5 40 JIBB COC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424282 ZOGOVLICWRLFBD-UHFFFAOYSA-N 469.475 4.265 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 18053824 JGMJWZMVMXJXCW-BDTNDASRSA-N 463.877 4.295 5 40 JIBB CC(C)CC(=O)Oc1cn(CCN2CCOCC2)c2nc(CC(C)C)n3c4ccccc4nc3c12 20403670 QSSYTDLTJKLKDM-UHFFFAOYSA-N 477.609 4.319 5 40 JIBB CCOc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 22605618 AYUYMVAFIWYEKQ-UHFFFAOYSA-N 452.536 4.075 5 40 JIBB COc1ccccc1[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N1CCCCC1 68734294 HJQUAVWZSCWVDA-XMMPIXPASA-N 491.592 4.422 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@@H]1CCCc2ccccc21 89493535 BJKXNSSTDWPPNW-RTBURBONSA-N 461.971 4.294 5 40 JIBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223329460 DEPHWWICOFVFKO-MTNREXPMSA-N 450.520 4.401 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@@H](CCOC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc2)cc1 3445735 PIXPEODQSCIIAV-QFIPXVFZSA-N 454.504 4.170 5 40 JIBB CC(COC(=O)c1ccc([N+](=O)[O-])cc1)(COC(=O)c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 5047612 CHQVDJTYMOVHLO-UHFFFAOYSA-N 485.493 4.198 5 40 JIBB CCC[C@@H](CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc(Cl)cc1Cl 8718643 FCBPHWYNGXJQEF-ZDUSSCGKSA-N 463.321 4.312 5 40 JIBB O=C(OCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1)c1cccc([N+](=O)[O-])c1 9140926 VOGCGWROLKZVSS-LJQANCHMSA-N 453.838 4.376 5 40 JIBB O=C(/C=C/c1nc2ccccc2s1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9882267 CVMQPQQSEUULDK-MDZDMXLPSA-N 472.529 4.146 5 40 JIBB C[C@@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 12768675 UNFXUWYJZAFODX-SJLPKXTDSA-N 490.491 4.217 5 40 JIBB COc1cc2c(cc1OC)CN1[C@H](C2)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 35754351 JGYSQDQPKFELTL-BVAGGSTKSA-N 473.529 4.122 5 40 JIBB CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@H](C)C4)cc2[N+](=O)[O-])CC1 57315651 ZMHJHSKBJGBDRY-AWEZNQCLSA-N 456.568 4.369 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408679300 DRSLBRRZRQVDPA-DKSSEZFCSA-N 455.898 4.227 5 40 JIBB COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)cc1 6177390 XHGCYYYAPFBZTD-OAHLLOKOSA-N 476.518 4.365 5 40 JIBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 8921468 DBPDBAGSCJIXQF-HNNXBMFYSA-N 481.328 4.362 5 40 JIBB CCCCNc1ccc(S(=O)(=O)N2CCCC2)cc1NC(=O)/C=C/c1cccc([N+](=O)[O-])c1 9130568 LVJAZVHJDVKXJO-FMIVXFBMSA-N 472.567 4.243 5 40 JIBB CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc([N+](=O)[O-])cc4)n12)CCC3 9187471 RWIVTKIRMVSODA-UHFFFAOYSA-N 457.562 4.433 5 40 JIBB C[C@H]1CCCN(c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])C1 9373213 NWQUWPMMIBUSKZ-LBPRGKRZSA-N 467.309 4.328 5 40 JIBB O=C(COC(=O)Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 11276257 PLKJGPICHBKRTJ-UHFFFAOYSA-N 499.401 4.264 5 40 JIBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2213681 HUVQCZUPSXSSIK-IBGZPJMESA-N 453.546 4.279 5 40 JIBB CCCCCn1/c(=N/C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 9192140 IEQUPHOGIRSDHZ-HPNDGRJYSA-N 478.574 4.127 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)ccc2OC)cc1 9562697 QUZNIHYHBSNDLI-GIDUJCDVSA-N 497.529 4.455 5 40 JIBB O=C(c1ccccn1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 15413849 KHGJPCWPNIHJJJ-TUGCOKMYSA-N 472.476 4.037 5 40 JIBB CCOc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-] 32116424 VWASKMJMUHLQRI-UHFFFAOYSA-N 460.078 4.476 5 40 JIBB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c([N+](=O)[O-])c4)c3)nn12 107800085 GOXYMYSCDFZGFZ-UHFFFAOYSA-N 481.563 4.067 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)c1 108897390 IMDQOYUCUZAKEW-WQRHYEAKSA-N 480.864 4.348 5 40 JIBB CC[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224974032 YCCDEQZZRVMPDD-NRFANRHFSA-N 474.583 4.077 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409015487 ZWMMGGQOQCRZEA-PVGUKEHMSA-N 486.502 4.170 5 40 JIBB O=C(NC(Nc1nc2ccc([N+](=O)[O-])cc2s1)(C(F)(F)F)C(F)(F)F)c1cccnc1 721311 SFAODBVTGWNNCF-UHFFFAOYSA-N 465.335 4.262 5 40 JIBB O=C1S/C(=C/c2ccc(I)o2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 9232897 KFOAKFJCUKAFBT-KPKJPENVSA-N 456.217 4.029 5 40 JIBB Cc1ccc(-c2nn(-c3cc(N4CCOCC4)ccc3[N+](=O)[O-])c(=O)c3ccccc23)cc1C 9635906 SJBRQMDPSUMBIU-UHFFFAOYSA-N 456.502 4.414 5 40 JIBB COc1ccc([C@@H](CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCCC2)N2CCCCC2)cc1 68838410 AREQXKKVLYDOIL-HSZRJFAPSA-N 488.610 4.027 5 40 JIBB Cc1ccc([C@]2(O)NC(=O)N[C@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)C(F)(F)F)cc1 252445459 ISIIONQKHDSMJK-NNMXDRDESA-N 489.406 4.110 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 409133431 LSGDMPOSICIKBN-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB Cc1ccc(N2C(=O)c3ccc(C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1Cl 990369 NPKBGWBNWYHQMI-UHFFFAOYSA-N 478.844 4.397 5 40 JIBB O=C(NC(=S)Nc1cccc(Br)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064653 PYPDIKRDTGHZDU-UHFFFAOYSA-N 463.357 4.474 5 40 JIBB COc1ccccc1NS(=O)(=O)c1cc(Nc2ncccc2[N+](=O)[O-])ccc1N1CCCC1 9120748 XNBCFLPLUMRMEQ-UHFFFAOYSA-N 469.523 4.143 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 11582419 PXQIWNKHRHOWMU-VABKMULXSA-N 459.458 4.045 5 40 JIBB COc1ccc(CCNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)cc1 12599120 MYRUPQGCQKNETC-UHFFFAOYSA-N 456.502 4.358 5 40 JIBB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1 14117206 QFLKICDQDIGAOC-UHFFFAOYSA-N 461.931 4.303 5 40 JIBB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCN(C(=O)C(C)C)CC2)cc1[N+](=O)[O-] 14291151 OFPKOETWCOVHLI-UHFFFAOYSA-N 474.945 4.204 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1C 14396787 JPNRHARRYRGBEW-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB COc1ccc([C@H]2S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 17219265 JNXJZXZGCWSPOU-WNRWPCNTSA-N 475.526 4.492 5 40 JIBB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 32126468 HDZVGBCOZBASSR-CSKARUKUSA-N 456.930 4.205 5 40 JIBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)c1 223329240 QPYFWRRQBXLGCE-MTNREXPMSA-N 450.520 4.401 5 40 JIBB CS(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 224937262 PSEVNMVLGSMRDQ-UHFFFAOYSA-N 477.970 4.445 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225349520 RLNQLRZWBCJNGA-ZWKOTPCHSA-N 473.595 4.169 5 40 JIBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)o2)cc1 260911803 DEPHWWICOFVFKO-VOQZNFBZSA-N 450.520 4.401 5 40 JIBB O=C(O)/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(S(=O)(=O)N2CCCCC2)s1 3264687 FXYYWIFZIMQCMX-JLHYYAGUSA-N 456.929 4.110 5 40 JIBB O=C1[C@H]2CS[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Br)cc1 3330728 YBUOLPRERCUDSU-ZBFHGGJFSA-N 450.339 4.105 5 40 JIBB COc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c([N+](=O)[O-])cc1OC 3365394 PMQSTJAZPWZTGK-UHFFFAOYSA-N 496.316 4.445 5 40 JIBB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1ccc([N+](=O)[O-])cc1 6474711 WKIAEUCZSWBSOE-UHFFFAOYSA-N 461.503 4.485 5 40 JIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 9141579 XZIQDVQXOBFRCQ-UHFFFAOYSA-N 461.883 4.067 5 40 JIBB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)cc12 9715974 IGZYPNVVJDGTBL-UHFFFAOYSA-N 472.429 4.377 5 40 JIBB CC(=O)N1CCN(c2ccccc2NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 21595938 ZXVPBGVGWNPINR-ACCUITESSA-N 460.490 4.175 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(Cl)c1 22535085 UDGASVJFKNOMBT-UHFFFAOYSA-N 453.351 4.047 5 40 JIBB C[C@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)N1 27460231 XWBIOHAPXYUADL-FKIZINRSSA-N 494.301 4.398 5 40 JIBB Cc1nc(NC(=O)COc2ccccc2[N+](=O)[O-])sc1-c1nc(-c2ccc(F)cc2)no1 31815998 UIOVZLGUOBZBGJ-UHFFFAOYSA-N 455.427 4.233 5 40 JIBB CCCCOc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OC 225770598 IGFOTWOEVYSQPN-UHFFFAOYSA-N 456.495 4.247 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408729053 XGSOJBRUFCMMJS-XWYWGPMTSA-N 454.482 4.348 5 40 JIBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O 409215070 ZLPJCBJPIQNEKM-FHNWIRHTSA-N 487.490 4.169 5 40 JIBB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8832403 XUIUNEOSTAOBKX-UHFFFAOYSA-N 463.523 4.230 5 40 JIBB COc1cc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])ccc1O 9312620 DMYBEYYSUCWYDA-KTJVCJKDSA-N 487.468 4.205 5 40 JIBB O=C(CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1nc2ccccc2s1 9366215 QPBWQPIRCKNRGP-UHFFFAOYSA-N 472.533 4.039 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cccc(Cl)c1 9934653 VMOSXUMYRFERGK-UHFFFAOYSA-N 488.013 4.075 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O 10434069 DHEVDJWSWWXOCB-UHFFFAOYSA-N 455.492 4.100 5 40 JIBB CC1(C)C[C@H]2C[C@@](C)(C1)[C@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O 102790963 AODBAAYJCSXDOF-LQIWJUJESA-N 488.544 4.194 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cc(F)ccc2[N+](=O)[O-])c2ccccc2)cc1 408977613 DYAKYEATQYGWDI-IBGZPJMESA-N 457.483 4.091 5 40 JIBB COc1ccc(CCn2c(-c3cccs3)nc3oc4ccccc4c(=O)c3c2=O)cc1OC 2228469 RTZFXGMJCDZFAM-UHFFFAOYSA-N 460.511 4.491 5 40 JIBB COc1cn(CC(=O)Nc2ccc([N+](=O)[O-])cc2)c(CSc2ccc(Cl)cc2)cc1=O 10255052 CGFVSVVCUVQKNA-UHFFFAOYSA-N 459.911 4.350 5 40 JIBB COC(=O)[C@@H](c1ccccc1Cl)N1CCN(C(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)CC1 12795744 QUAYSFYSVJWGHP-JOCHJYFZSA-N 483.908 4.180 5 40 JIBB C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62408721 LQVYTMKTIVJIJW-OAHLLOKOSA-N 473.455 4.311 5 40 JIBB CCOc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl 408568249 SQCUYMHTAHCKQB-TWWGPRNNSA-N 462.333 4.447 5 40 JIBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 409380828 IRCIYFQXIXEHQA-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB C[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(=O)c(-c3ccc([N+](=O)[O-])cc3)coc2c1 8951293 SVAAIRYUVRKBQU-ZDUSSCGKSA-N 454.435 4.187 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(N[C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)c([N+](=O)[O-])c1 12536546 RSISFXMHJHRLOA-HNNXBMFYSA-N 475.546 4.432 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 14413360 LBSSXBIFIYZMCR-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB CC[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 22314149 MEKPOFOHBZHDHZ-QHCPKHFHSA-N 483.546 4.066 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223740342 KTWXYDJBSVGEJE-GOTSBHOMSA-N 496.545 4.184 5 40 JIBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224804378 KQNXTDQKAFJLNQ-UHFFFAOYSA-N 487.509 4.351 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(N2CCCCC2)cc1)S(C)(=O)=O 224975188 AANJYTBYNLCXGW-UHFFFAOYSA-N 474.583 4.078 5 40 JIBB CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1-c1ccccc1)N(C)C 2626305 XPGIXQGFDARFGV-SFHVURJKSA-N 454.556 4.227 5 40 JIBB COc1ccc(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)S(=O)(=O)/C=C/c2ccccc2)cc1 3446263 SHVNMCONBGFBTL-VAWYXSNFSA-N 482.514 4.477 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 9222409 OFDWZDJYVQXAHW-HNSVSWJLSA-N 480.608 4.476 5 40 JIBB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 9306271 AHQLELPCXOKQSK-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1 12560593 SSUQSFQERIDGJU-QFIPXVFZSA-N 481.530 4.164 5 40 JIBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NC1CCCC1 12591053 VMSJUINFEROYPC-UHFFFAOYSA-N 472.350 4.156 5 40 JIBB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)c1 16637137 BNTHPENQYKRJKJ-UHFFFAOYSA-N 450.904 4.122 5 40 JIBB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n(C[C@@H]2CCCO2)c1C 21567863 COLNNEGVYDQUFK-AWEZNQCLSA-N 458.462 4.337 5 40 JIBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)Nc1cccc(F)c1 58134082 FVFZNIDDTRQQJB-UHFFFAOYSA-N 457.490 4.175 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)N1CCCC1 205859263 HPKIHPMOFGYDDD-LICLKQGHSA-N 461.883 4.167 5 40 JIBB CC[C@@H](c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1Cc1ccccc1)N(C)C 2619214 MLADDFFECNESKH-IBGZPJMESA-N 468.583 4.287 5 40 JIBB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc2c(c1)OCCO2 3302871 ZLNMCSMOUQLRNC-UHFFFAOYSA-N 496.859 4.046 5 40 JIBB O=[N+]([O-])c1ccc(Sc2ccnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1 8448132 ZEYAWBLUHWFOLC-UHFFFAOYSA-N 476.408 4.412 5 40 JIBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(NCCCn2ccnc2)c([N+](=O)[O-])c1 9129707 JXHPNNJYJZEVGH-UHFFFAOYSA-N 454.556 4.280 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 9482138 CSHBLUUPGVHJPL-UHFFFAOYSA-N 459.546 4.490 5 40 JIBB O=c1c2ccccc2nc(SCc2cc([N+](=O)[O-])cc3c2OCOC3)n1-c1ccc([N+](=O)[O-])cc1 9561759 NNTLJNKRNQZVKO-UHFFFAOYSA-N 492.469 4.361 5 40 JIBB Cc1c(NC(=S)NC(=O)COc2ccc(Br)cc2Cl)cccc1[N+](=O)[O-] 9805511 WKEGHFWRUISGJG-UHFFFAOYSA-N 458.721 4.211 5 40 JIBB COc1cc(/C=C/C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])ccc1OC(F)F 12530510 IMBPNIWMYGNMJX-FNORWQNLSA-N 450.394 4.017 5 40 JIBB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142705 UMRALBWWGXXXLU-UHFFFAOYSA-N 457.870 4.089 5 40 JIBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12 20624098 OVMSANJRRUYAHX-MEKIYTOJSA-N 462.893 4.019 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35851611 FMGTUNYTVQMLOI-ICLZECGLSA-N 486.553 4.117 5 40 JIBB CCCCCn1/c(=N\C(=O)c2c(F)cccc2F)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101156855 MDHKTGPLMXWTQR-WMMMYUQOSA-N 494.498 4.035 5 40 JIBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(-c3ccccc3)nc(C)c2=O)cc1 101255541 VAVKZEZSYHXOIP-UHFFFAOYSA-N 456.458 4.377 5 40 JIBB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc(F)c([N+](=O)[O-])c1 408600282 YBJYQZDYGJMELO-UHFFFAOYSA-N 486.312 4.479 5 40 JIBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3cccc([N+](=O)[O-])c3)C2=O)ccc1Cl 409154312 GQOVJWRQTYQTEI-RQZCQDPDSA-N 489.893 4.100 5 40 JIBB O=c1c2ccccc2n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nnc2n1-c1ccccc1 2657663 IMSMJTRYVXAHRL-UHFFFAOYSA-N 487.497 4.100 5 40 JIBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)Nc1ccccc1C(N)=O 8792170 GCMDBJFCWVEPFE-OAHLLOKOSA-N 476.492 4.097 5 40 JIBB biogenic CN1CCN(c2ccc(Cl)cc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 12537369 SQOJKPHTYDOLOP-UHFFFAOYSA-N 460.965 4.199 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1 32125101 QMQSEFUXBLZBBO-BUHFOSPRSA-N 456.502 4.209 5 40 JIBB CC(C)(C)N(Cc1ccccc1)C(=O)CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57547421 MTMBJVIWKRCCRL-UHFFFAOYSA-N 461.566 4.092 5 40 JIBB Cc1cc(C)c(NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)c(C)c1 409125594 CZZWMTNZWCFYRJ-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 8768810 VGNKMJPOAOIXTE-SHQCIBLASA-N 480.524 4.270 5 40 JIBB biogenic COc1ccc(N(Cc2cc([N+](=O)[O-])cc3c2OCOC3)S(=O)(=O)c2ccc(C)cc2)cc1 9634084 ZEKYGZWJNYXDRR-UHFFFAOYSA-N 470.503 4.174 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(S/C=C/c1ccc([N+](=O)[O-])o1)n2CC 12604104 BJIGAUWCWXTTDL-VAWYXSNFSA-N 450.542 4.351 5 40 JIBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)C(C)C)c1 409169348 PPRPMRMSHCUOOQ-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1Br 409330029 JTENUSZFBSLUPU-OQLLNIDSSA-N 462.281 4.032 5 40 JIBB CCCCCN(CCOC(=O)c1ccc([N+](=O)[O-])cc1)CCOC(=O)c1ccc([N+](=O)[O-])cc1 4933873 NWFFFYJXFAEUCR-UHFFFAOYSA-N 473.482 4.009 5 40 JIBB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9404977 FKSSRZYGSWSQQI-UHFFFAOYSA-N 467.532 4.417 5 40 JIBB O=c1c2c3c(sc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1cccc(Cl)c1)CCC3 13749332 GOEBJWXMTNUEDG-UHFFFAOYSA-N 453.907 4.313 5 40 JIBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O 21151034 YERQLSXYVKXLIU-JOCHJYFZSA-N 458.474 4.150 5 40 JIBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Br)cc12 35808609 UOZOMMXDBAROKH-LERMDLETSA-N 496.317 4.326 5 40 JIBB O=C(Nc1ccc2ccccc2c1)c1ccc(NCCCn2nc3n(c2=O)CCCC3)c([N+](=O)[O-])c1 40135291 FLVQMPYIIUNMSZ-UHFFFAOYSA-N 486.532 4.197 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=N[C@@]1(O)C(F)(F)F 106016639 QPTLBAXNYGFGCH-WFXMLNOXSA-N 475.379 4.163 5 40 JIBB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc([N+](=O)[O-])cc3)c2c1 215699818 ZGQDKHXDUWOFGI-QRVIBDJDSA-N 456.458 4.494 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223740403 KTWXYDJBSVGEJE-PKTZIBPZSA-N 496.545 4.184 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccccc1 409389163 MQESQPZADLKKBI-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1Cl 2252734 CFQUZLQICBIXGK-MRXNPFEDSA-N 475.936 4.433 5 40 JIBB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@H]2[N+](=O)[O-])cc1OC 8972039 GGDLLVHIXFVNHN-ROHNOIKCSA-N 457.486 4.089 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)CCC(=O)c3cccs3)cc2)cc1[N+](=O)[O-] 9631550 DRLHYDQMDVVAFH-UHFFFAOYSA-N 473.532 4.367 5 40 JIBB O=C(CCn1c(-c2ccc(F)cc2)n[nH]c1=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12537642 PXSMKPKFWHJKBI-UHFFFAOYSA-N 490.948 4.047 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1 12775454 RBJUWXYSUQIABV-XHDPSFHLSA-N 484.962 4.085 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677252 LRNJUAZUJRPTHD-CQSZACIVSA-N 486.377 4.391 5 40 JIBB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)n1 48341956 HEPAATTVOCCNKP-OAHLLOKOSA-N 491.957 4.370 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 103012954 BANHIHOHNZMWBH-BZSOYRFXSA-N 458.536 4.225 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccccc2Cl)cc1 408569778 XULXHVMPBUWADJ-POIRLRRGSA-N 463.921 4.487 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408682930 KJBSTXQQLXPXHD-MDASCCDHSA-N 455.898 4.227 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(CNc2ccc(Cl)cc2)n1C 797542 WUERNLCRWPXKFG-CYBMUJFWSA-N 460.947 4.417 5 40 JIBB Cc1ccc(NC(=O)[C@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1Cl 828602 IUKLCVYAKLAORQ-NRFANRHFSA-N 463.877 4.403 5 40 JIBB COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3[N+](=O)[O-])c2)c([N+](=O)[O-])c1 6924669 USIVQUCJADSGQW-UHFFFAOYSA-N 466.406 4.025 5 40 JIBB CCCOc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4cccnc4)c3)CC2)cc1 9971862 OXPZSDKSSUGACJ-UHFFFAOYSA-N 475.549 4.353 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12549924 PCEUPGHBPDTMJF-NSHDSACASA-N 488.850 4.173 5 40 JIBB O=C(Nc1nnc(CCS(=O)(=O)c2cc(Cl)ccc2Cl)s1)c1ccc([N+](=O)[O-])cc1 13371522 QQUDKQDIMDAVDE-UHFFFAOYSA-N 487.346 4.022 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408684443 NIEAFZANFAQLFT-OALUTQOASA-N 498.879 4.055 5 40 JIBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)c(OC)c2)C1=O 409210458 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CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 4125333 JETXFCBCFAPYRQ-UHFFFAOYSA-N 451.310 4.213 5 40 JIBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCN(c2cccc(Cl)c2)CC1 9493962 POAPZSOZUIPUHK-FQEVSTJZSA-N 479.364 4.005 5 40 JIBB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424286 BXJWVFTWGVSZLP-UHFFFAOYSA-N 457.439 4.395 5 40 JIBB Cc1c(Cl)cccc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 223947295 UMLAIFKWLHEMHI-UHFFFAOYSA-N 460.339 4.395 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408567103 PRSSRGAPVHVXOT-DWSPACKXSA-N 493.947 4.496 5 40 JIBB CCOc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl 408568253 SQCUYMHTAHCKQB-XHYAQGIWSA-N 462.333 4.447 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(COc3cccc4ccccc34)n2C)c([N+](=O)[O-])c1 408596820 VDMTUTABGGKYIM-UHFFFAOYSA-N 479.518 4.195 5 40 JIBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 10010477 GMTTWIMZHZZGOS-UHFFFAOYSA-N 468.897 4.429 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCc1c(C)[nH]c2ccc(OC(F)(F)Cl)cc12 12462416 VRSSREJDUDITBC-UHFFFAOYSA-N 473.885 4.382 5 40 JIBB COc1ccc(N2C(=O)c3cccc4c(Br)c([N+](=O)[O-])cc(c34)C2=O)c([N+](=O)[O-])c1 95470760 QJMFHCLKVURRPO-UHFFFAOYSA-N 472.207 4.228 5 40 JIBB COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1I 106727549 TXBRLQOXKLMSNI-SXGWCWSVSA-N 496.282 4.445 5 40 JIBB COc1cc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)ccc1O 248124433 DMYBEYYSUCWYDA-MNPDLOSFSA-N 487.468 4.205 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccccc1C 408554611 CSHXBVAEJMXBLA-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1ccc([N+](=O)[O-])cc1 9391239 QVWXQRAGCNKRPJ-JOCHJYFZSA-N 466.519 4.158 5 40 JIBB COc1ccc(CCNc2oc(-c3ccc([N+](=O)[O-])cc3)nc2P(=O)(OC)OC)cc1OC 16751435 LNXLJZDXFABFRP-UHFFFAOYSA-N 477.410 4.033 5 40 JIBB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 17729202 FPFQVQKYBIUHDQ-BXUZGUMPSA-N 476.363 4.414 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408647483 JIQVJKHTKQPOBM-ONGXBYRLSA-N 495.919 4.218 5 40 JIBB O=C(c1ccc(F)cc1)[C@@H]1[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=N[C@@]1(O)C(F)(F)F 8691775 GGFOEEAMEYXTMC-WFXMLNOXSA-N 493.369 4.302 5 40 JIBB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8832345 LOWSAEDUCOQKCJ-UHFFFAOYSA-N 450.451 4.301 5 40 JIBB O=C(Nc1ccccc1C(=O)O)c1ccc(N2C(=O)c3cccc4c([N+](=O)[O-])ccc(c34)C2=O)cc1 8856295 XUXPKXYBGQUEJB-UHFFFAOYSA-N 481.420 4.499 5 40 JIBB Cc1nc2ccccc2c2c1C(=O)N(c1cccc(C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)c1)C2=O 9008224 RKMNOKIWBPSMTA-UHFFFAOYSA-N 495.447 4.292 5 40 JIBB O=C(COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc([N+](=O)[O-])c1 9668650 ABXDNPLTHIXUAN-UHFFFAOYSA-N 461.883 4.067 5 40 JIBB O=C(Nc1nc2cc([N+](=O)[O-])ccc2s1)c1ccc(S(=O)(=O)N2CCCCCC2)cc1 11613305 HCKYDQVWEUQYLG-UHFFFAOYSA-N 460.537 4.022 5 40 JIBB CCOc1ccc([C@H](c2nnnn2C(C)(C)CC)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13504143 DZBAOTAYPGCWEI-HSZRJFAPSA-N 479.585 4.037 5 40 JIBB O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14274401 HJQVBPUBYUFROQ-UHFFFAOYSA-N 476.514 4.458 5 40 JIBB CC[C@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccccc1 16498356 QMSCRSGFTKKKGQ-MRXNPFEDSA-N 469.519 4.025 5 40 JIBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc([N+](=O)[O-])c1)N(CCCn1ccnc1)C3=O 21151022 HKKPTMASVOWALX-QFIPXVFZSA-N 458.474 4.150 5 40 JIBB CCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)cc1[N+](=O)[O-] 33736993 IZKZREBVXXTFCC-UHFFFAOYSA-N 452.496 4.283 5 40 JIBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408682538 JOIUTMQGLQOQAE-JOCHJYFZSA-N 482.470 4.110 5 40 JIBB CCCOC(=O)c1cc(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1CCOCC1 10059865 CNJHEOSXBBNTCX-XBXARRHUSA-N 473.913 4.304 5 40 JIBB COc1cc2ccccc2cc1C(=O)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16215140 SVZYPQBYDGRTBU-UHFFFAOYSA-N 484.965 4.247 5 40 JIBB CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@](C)(O)[C@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 102674696 CVXWMHDLWIHNJH-JJTGBXKASA-N 482.533 4.250 5 40 JIBB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)NC1=S 409087180 AYWJIQWCZXXKLJ-YVLHZVERSA-N 461.927 4.303 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409411509 IDHVLFHIXCXIGD-JOCHJYFZSA-N 453.476 4.223 5 40 JIBB Cc1c(C(=O)Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)cccc1[N+](=O)[O-] 9368185 JTZGLARYSWUILG-UHFFFAOYSA-N 486.560 4.348 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@@H](c2cccnc2)c2c([nH]c(SCc3ccc([N+](=O)[O-])cc3)nc2=O)N1 9393877 MKJSCRVJILEMEI-LJQANCHMSA-N 493.545 4.148 5 40 JIBB COc1ccc([C@@H]2S/C(=C/c3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 17219261 JNXJZXZGCWSPOU-DIXABZHVSA-N 475.526 4.492 5 40 JIBB CC(C)COc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])cc3Cl)CC2)cc1 33778295 WXHVWORDKZXVJZ-UHFFFAOYSA-N 476.986 4.120 5 40 JIBB O=c1/c(=C\c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 197320510 KVLKMPWKCVFFPI-AQIZGWBQSA-N 499.523 4.072 5 40 JIBB CS(=O)(=O)N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)c1cccc([N+](=O)[O-])c1 224820998 DSYFFOZYKNHPLD-UHFFFAOYSA-N 453.520 4.032 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 409131585 IZQANFVQTZAVBX-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB O=C(NC(=O)N(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 9354652 WTISQCRVQUVGJG-UHFFFAOYSA-N 474.882 4.385 5 40 JIBB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 9670435 STKWVVGXLUFROV-UHFFFAOYSA-N 474.233 4.465 5 40 JIBB Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1cccc([N+](=O)[O-])c1 9720779 FMDWNUHCBULXTP-UHFFFAOYSA-N 466.292 4.023 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13804747 BZSCIBJFJDDIMP-QHAWAJNXSA-N 494.847 4.208 5 40 JIBB NC(=O)[C@@H](c1ccc(Cl)cc1)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 36386860 BTFQLDYKWGRJFG-QGZVFWFLSA-N 477.270 4.269 5 40 JIBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1ccccc1[N+](=O)[O-] 59559098 QBFZFWZXGDBKMH-UHFFFAOYSA-N 493.564 4.183 5 40 JIBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccccc1 408555134 DTCXUDIDYHBOKK-UHFFFAOYSA-N 455.492 4.355 5 40 JIBB COc1cc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccccc1 409181309 AUNPTBZMRYGIPO-UHFFFAOYSA-N 494.843 4.097 5 40 JIBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 409183005 RBZIMWGJDUDQPH-UHFFFAOYSA-N 490.468 4.267 5 40 JIBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O 409215072 ZLPJCBJPIQNEKM-NCUBORBFSA-N 487.490 4.169 5 40 JIBB C[C@H]1CCc2c(sc3nc(Sc4ccc(C(N)=O)cc4[N+](=O)[O-])n(Cc4ccco4)c(=O)c23)C1 9960399 ISWZNLPRDPQZSN-LBPRGKRZSA-N 496.570 4.382 5 40 JIBB COc1ccc(SCCCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 10218002 KDSYEIMXKKDGMH-UHFFFAOYSA-N 493.588 4.404 5 40 JIBB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1 27026769 UCYFVYTTXXVSPO-FQEVSTJZSA-N 464.865 4.245 5 40 JIBB NC(=O)COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1 95479012 UJGOOJNRFQWEPG-UHFFFAOYSA-N 458.474 4.388 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)[C@@H](CC)c1ccccc1 101176464 NSISZTJMLQESPQ-OAGTXPOXSA-N 472.545 4.028 5 40 JIBB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1 102738381 TVXUPODSUZCLEI-BHIFYINESA-N 479.876 4.308 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(C)cc1 102921335 HGUWFPUDYMMEQS-QCWLDUFUSA-N 484.556 4.381 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223471487 AYUCFZHWFAJTIH-GOSISDBHSA-N 473.595 4.170 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408688169 VVFQIZNJDDLGOR-QGPMSJSTSA-N 455.898 4.227 5 40 JIBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CC[C@@H](C(C)(C)C)C2 845135 DLUMNPNBYPFXRF-CQSZACIVSA-N 462.572 4.436 5 40 JIBB COc1ccc(Cl)cc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 8398271 JHJVEUSGAYEMMQ-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(OCc2ccccc2)c(OC)c1 9125018 MFXKDPNQUHWPJZ-INIZCTEOSA-N 480.473 4.375 5 40 JIBB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cccc1[N+](=O)[O-] 13681776 VWEHOMJXFQVYRI-AWEZNQCLSA-N 486.377 4.391 5 40 JIBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2[N+](=O)[O-])C1 14462687 SQSOMSMGUZQHNT-CYBMUJFWSA-N 474.564 4.097 5 40 JIBB CCOc1cc(/C=C(\Sc2n[nH]c(CC)n2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408631201 GBCVALAJCJAFNM-UNOMPAQXSA-N 470.507 4.471 5 40 JIBB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1Cl 9059141 CODKDSKPSWIXNU-ZDUSSCGKSA-N 460.947 4.417 5 40 JIBB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2cccs2)cc1 9569327 CJUULPDUOOILOH-IBGZPJMESA-N 480.951 4.263 5 40 JIBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 14405012 CQQCNMGSRDXOHT-UHFFFAOYSA-N 491.529 4.450 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 19820307 MMHSJBJPLIXQNE-PKTZIBPZSA-N 470.485 4.260 5 40 JIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 19868137 KMAJMOCQAKMODL-UHFFFAOYSA-N 472.350 4.082 5 40 JIBB O=C(CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)Nc1cccc([N+](=O)[O-])c1 28208787 GDDVVGMIZQGGJT-UHFFFAOYSA-N 465.531 4.308 5 40 JIBB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCN(Cc3cn4ccccc4n3)CC2)c([N+](=O)[O-])c1 32853685 WGLQAPOQUDKSJT-AREMUKBSSA-N 484.560 4.049 5 40 JIBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)NC(=O)c2ccc(OC)cc2)cc1 657855 IFWISGKSUGRGLT-KQWNVCNZSA-N 489.484 4.190 5 40 JIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(S(=O)(=O)N2CCCCC2)cc1 2653364 HMBGRZWSHXVZGZ-UHFFFAOYSA-N 477.538 4.478 5 40 JIBB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1OC 8718225 NJXCZJWRPRUVNP-FQEVSTJZSA-N 491.529 4.401 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])CC2 12987336 LLUSREJIXXNITP-QHCPKHFHSA-N 471.510 4.399 5 40 JIBB O=C(c1ccccc1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20518861 NPZOYJXUMHPAFJ-OHTANWTRSA-N 471.538 4.414 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(Cl)cc12 20567673 KYWHEGPNHHAKID-NYQDVAGCSA-N 462.893 4.019 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1C(F)(F)F 101176456 PLECXHLBYAJFMJ-OFWBYEQRSA-N 498.461 4.167 5 40 JIBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(Cl)c([N+](=O)[O-])c2)C(=O)N1c1ccc(F)cc1 102766337 MIZCSTOGSNAMQH-PCCBWWKXSA-N 467.840 4.438 5 40 JIBB Cn1c(=O)n(C)c2cc([N+](=O)[O-])c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)cc21 408528395 FZSROZCXSRTJHW-FMQZQXMHSA-N 493.328 4.329 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 409153306 LBPYWFIKZZIZKL-CXUHLZMHSA-N 492.307 4.041 5 40 JIBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)o2)c([N+](=O)[O-])c1 409341177 DFGQVMBZMNBTMF-UDWIEESQSA-N 469.519 4.458 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc([N+](=O)[O-])c1O 409374394 OLPLXFUSOAFNBD-ZDLGFXPLSA-N 485.518 4.299 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccc3c(c2)C[C@H](C)N3S(C)(=O)=O)cc1 9244503 GXRFUSPGAWKUBW-INIZCTEOSA-N 496.541 4.243 5 40 JIBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 8831791 WLWHVKBCKHSVQH-UHFFFAOYSA-N 456.842 4.379 5 40 JIBB COc1ccc(OCC(=O)c2cc(C)n(C[C@H]3COc4ccccc4O3)c2C)c([N+](=O)[O-])c1 9124819 FALZDQKHIZNIER-SFHVURJKSA-N 452.463 4.123 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 9287500 ZAJZEBMSWRSZNK-XPGKHFPBSA-N 493.519 4.031 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)COc1ccc2ccccc2c1Br 9587702 WSDBANAXSPPPSM-UHFFFAOYSA-N 473.279 4.380 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 9895435 NJFQUYNCYTXLNN-QFIPXVFZSA-N 481.530 4.382 5 40 JIBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 9955686 CUZJELROJUCAEJ-UHFFFAOYSA-N 490.535 4.441 5 40 JIBB CCOC(=O)C1CCN([C@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 36666269 YCQQNUGNQNTCRH-GOSISDBHSA-N 497.533 4.029 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225055852 SCXJMGRDACJFIR-OALUTQOASA-N 457.596 4.468 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cccc(OCc4ccccc4)c3)CC2)c([N+](=O)[O-])c1 408572535 JLIUGORWQQTMIQ-UHFFFAOYSA-N 489.528 4.313 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1 1642254132 CYEVTIGQHRPRKI-IUODEOHRSA-N 454.310 4.391 5 40 JIBB COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1OC 2337061 HMOAEKLALWDJCU-UHFFFAOYSA-N 481.490 4.100 5 40 JIBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 9185279 JIGPZLPQSZDKIF-QHCPKHFHSA-N 456.454 4.498 5 40 JIBB CCOc1ccccc1N1CCN(C(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)CC1 9469257 KSWBBPAFNKLBQM-UHFFFAOYSA-N 452.555 4.192 5 40 JIBB CC(C)OC(=O)C[C@@H](NC(=O)Cn1c(SC(F)F)nc2ccccc21)c1ccccc1[N+](=O)[O-] 21710000 ZVYWGBZYTKNQMH-MRXNPFEDSA-N 492.504 4.458 5 40 JIBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] 22711786 ZKQHIPSUNFZTEA-UHFFFAOYSA-N 475.574 4.044 5 40 JIBB CC[C@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223483488 YGLLIGFXMILIQI-GHTZIAJQSA-N 461.584 4.250 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 248126034 HTFGQORUFSEBGG-VPBXCIAMSA-N 495.491 4.002 5 40 JIBB O=C(CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 409316730 ZMAIJOBRNVVARA-UHFFFAOYSA-N 479.436 4.448 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1cc2cccc(OC)c2o1 409332224 QMHBQWCGTXHBOQ-UHFFFAOYSA-N 453.480 4.359 5 40 JIBB Cc1nc2ccc(C(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)cc2s1 3188151 ZVJILZIGRYYHQP-UHFFFAOYSA-N 460.518 4.055 5 40 JIBB Cc1ccc(S(=O)(=O)Oc2ccc3sc4cccc(NCCN(C)C)c4c(=O)c3c2)cc1 5487739 OZBUPHRPNZMLFW-UHFFFAOYSA-N 468.600 4.464 5 40 JIBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 9335226 ZEEPEEAVTABMMY-UHFFFAOYSA-N 492.604 4.110 5 40 JIBB CCN(CC)CCOc1ccc(CNC(=O)[C@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC 40151668 JPNZJBJFMLIOQP-KRWDZBQOSA-N 461.584 4.121 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@H]2[C@H]1c1cccc([N+](=O)[O-])c1 96400880 QHJGUECEBZVYJY-DKGHAMRQSA-N 478.461 4.491 5 40 JIBB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccccc3[N+](=O)[O-])c3ccccc3C2=O)cc1 103005081 URSSEGHKSWQMCO-HMMYKYKNSA-N 457.442 4.412 5 40 JIBB C[C@@]1(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)C[C@H]2C=C[C@H]1C2 408710471 KZNXAAOMWOSEIY-ZSCHSRKISA-N 459.462 4.438 5 40 JIBB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409071205 FZNMQVIQDQCMIB-AVPSXBMNSA-N 481.280 4.215 5 40 JIBB C[C@@H](NS(=O)(=O)c1ccc(CCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1ccccc1 409238140 CHXMNKBHWQPPLH-QGZVFWFLSA-N 453.520 4.206 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1ccccc1[N+](=O)[O-] 9391233 GEMAEGAWWFELBZ-NRFANRHFSA-N 466.519 4.158 5 40 JIBB O=C(COc1cccc2ccccc12)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9721067 NLDYNJPHTVHBDL-UHFFFAOYSA-N 459.424 4.494 5 40 JIBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)N1CCc2ccccc2C1 9860237 OKHWMUCVXBVZBI-UHFFFAOYSA-N 487.567 4.500 5 40 JIBB CCCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 16639177 FPXHYGDHFZFVGA-UHFFFAOYSA-N 476.986 4.264 5 40 JIBB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12 20675953 XWFLNBXDDOZEQB-RTWAWAEBSA-N 450.495 4.250 5 40 JIBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 22521706 KUZIVKPTEMXHBE-UHFFFAOYSA-N 495.966 4.299 5 40 JIBB CCn1c(S/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408634730 WZLRCXSCXPIKMH-NVMNQCDNSA-N 456.480 4.108 5 40 JIBB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)cc(C)c1Br 408666785 POLMOHDYYJVFLV-UHFFFAOYSA-N 492.326 4.265 5 40 JIBB COc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])cc(Br)c1OCc1ccc(F)cc1 409318678 WZWJTPMZVFFNAU-DAXSKMNVSA-N 492.257 4.456 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C)c(Br)c1 862148 PTTFDIZWAOXHFI-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 14279230 MQKJEJSKEPSTJG-UHFFFAOYSA-N 499.999 4.405 5 40 JIBB COc1cc2c(cc1NC(=O)c1ccc(Sc3nnnn3C)c([N+](=O)[O-])c1)oc1ccccc12 14358860 LJBKXCWRKKZYAG-UHFFFAOYSA-N 476.474 4.430 5 40 JIBB Cc1cc(I)ccc1NC(=O)CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1 59200734 DGHURDNTRAHKOF-UHFFFAOYSA-N 496.286 4.289 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C(C)(C)C)cc1 103001075 MHNZNWAIKFLZMH-BGABXYSRSA-N 486.572 4.445 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408684293 NGFIUSLMHYDNDE-HDICACEKSA-N 474.300 4.410 5 40 JIBB CCCc1cc(=O)oc2cc(OC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)ccc12 3426283 AHFIWHPCHPBMIO-UHFFFAOYSA-N 466.475 4.153 5 40 JIBB Cc1nc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1Br 8835382 ULXMZSWPFLJNND-UHFFFAOYSA-N 478.372 4.178 5 40 JIBB O=C1S/C(=C\c2cc(Br)c(O)c([N+](=O)[O-])c2)C(=O)N1Cc1cccc([N+](=O)[O-])c1 9311635 BNIFZGSLANTCEP-AUWJEWJLSA-N 480.252 4.208 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1Cc1ccccc1 101143718 LYZIFPAOTGDOBL-VSKRKVRLSA-N 463.877 4.295 5 40 JIBB O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 102697792 GGFOEEAMEYXTMC-BBTUJRGHSA-N 493.369 4.098 5 40 JIBB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223695705 HRKVLZKXPBOHTG-NRFANRHFSA-N 471.554 4.014 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408690123 ZSNPFLMNXZHVSM-QCQDVHPSSA-N 488.327 4.490 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Br)cc2)C1=O 409156222 RFVZHLMZKQPQMD-CXUHLZMHSA-N 492.307 4.041 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)n2C)cc1[N+](=O)[O-] 786228 VPWVFVXGGNNBSS-UHFFFAOYSA-N 463.519 4.495 5 40 JIBB CCOC(=O)Cn1cc(/C=C2\SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)c2ccccc21 979850 GBMSXGYRQBRSQK-JAIQZWGSSA-N 465.487 4.349 5 40 JIBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1cccc(Br)c1 2333646 FYZXDOLTVJOURL-UHFFFAOYSA-N 478.350 4.473 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1cccc2ccccc12 4089898 SJXIDPIRGFIVBU-UHFFFAOYSA-N 454.939 4.238 5 40 JIBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CC[C@H](C)C2 9968826 KTZJGIGEKIEGLG-AWEZNQCLSA-N 468.535 4.455 5 40 JIBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)N1C[C@H](C)O[C@@H](C)C1 16046340 KICZRVDEEVZWNG-FRGIFYTLSA-N 483.546 4.398 5 40 JIBB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 22247467 MVSUPLDNUXVMDG-JOCHJYFZSA-N 497.573 4.139 5 40 JIBB CCNc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1[N+](=O)[O-] 25393514 RFFSJRCRNRYICM-CYBMUJFWSA-N 489.550 4.185 5 40 JIBB Cc1cc(=O)c(C(=O)Nc2ccc(CN3CCCC[C@@H]3C)cc2)nn1-c1ccccc1[N+](=O)[O-] 40119467 FZVBZADPDLZBEA-KRWDZBQOSA-N 461.522 4.076 5 40 JIBB CC[C@@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260912412 AXJJCGWVLHGSEG-HTAPYJJXSA-N 473.595 4.204 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])CC2 12987334 LLUSREJIXXNITP-HSZRJFAPSA-N 471.510 4.399 5 40 JIBB Cc1cccc([N+](=O)[O-])c1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13070441 SWZTUGLCRIGZHO-MQVJKMGUSA-N 450.582 4.388 5 40 JIBB O=C(c1cccs1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36307693 WIYGUJNNCFACAI-KDNSLJGTSA-N 477.567 4.475 5 40 JIBB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2)CC1 57317117 SZRMJYQBCIBGIQ-UHFFFAOYSA-N 479.581 4.142 5 40 JIBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223181908 WAQJEZYRRINTSE-VWLOTQADSA-N 459.546 4.222 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223744613 LQJCLDGWFCMHJT-FGZHOGPDSA-N 466.519 4.176 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225015371 VEUPEXMJPIEAQF-RTBURBONSA-N 457.596 4.468 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408567305 QWTLBNCNEJIUDV-FBQMUFCQSA-N 491.519 4.325 5 40 JIBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652906 IOAHIWWUYKKLRN-CSKPTYFESA-N 481.291 4.398 5 40 JIBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(Cl)cc(Cl)c1 3241701 IPTBTSZWTPXEMZ-UHFFFAOYSA-N 458.304 4.443 5 40 JIBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccccc1Br 106732439 JETFQYCRXZIXPF-SOFYXZRVSA-N 463.265 4.323 5 40 JIBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@@H](C)C(=O)NC2CCCCC2)c1 224933244 TZMIDMXXFFXMCU-SFHVURJKSA-N 453.539 4.012 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408686832 SIDHGSFDEZOMNO-HDICACEKSA-N 474.300 4.410 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(F)cc2)cc1 19856827 XZMORJJRAKYFHP-UHFFFAOYSA-N 457.483 4.185 5 40 JIBB O=C1[C@H]2[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccccc1F 102768253 YPBYBVVATNWJDL-PWRODBHTSA-N 467.840 4.438 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408567308 QWTLBNCNEJIUDV-OICBGKIFSA-N 491.519 4.325 5 40 JIBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Cl)cc1 408568669 IFBANOICFZIZIT-LJQANCHMSA-N 464.931 4.365 5 40 JIBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1cccs1 408649995 LXFPYEVMQVHEAZ-QGZVFWFLSA-N 450.472 4.102 5 40 JIBB Cc1nc2c(c(=O)n1Cc1ccccc1Cl)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2254276 FQSMTYWIYXDZCY-KRWDZBQOSA-N 459.937 4.484 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C[C@H]1CCCO1 9127670 SBELGLUMBYJONF-DZGCQCFKSA-N 489.579 4.222 5 40 JIBB O=C1COc2ccc(C(=O)COC(=O)c3ccc(Sc4ccccc4)c([N+](=O)[O-])c3)cc2N1 9254934 CCSOUDBCCJTMBR-UHFFFAOYSA-N 464.455 4.117 5 40 JIBB COc1ccc(CNC(=O)CCCc2nnc3n4nc(-c5ccccc5)nc4c4ccccc4n23)cc1 9860247 BLXXEYHORKYXNQ-UHFFFAOYSA-N 491.555 4.240 5 40 JIBB O=C(NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269585 MKVQNRITWWDFAY-UHFFFAOYSA-N 463.903 4.274 5 40 JIBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225712056 DZCRCIVTHHVVHQ-INIZCTEOSA-N 476.371 4.089 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 408583225 SOFIPUFRCUGHAQ-UHFFFAOYSA-N 454.295 4.426 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408689492 YHIAWOUJFQDALC-QZTJIDSGSA-N 474.300 4.410 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)c1 409098479 QKYODCJKIARXNJ-OEAKJJBVSA-N 486.484 4.014 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409155012 IAJCAEMYPJHGMX-NRFANRHFSA-N 496.593 4.373 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1CCc1ccccc1 6906653 LKPLMHVJNQIPQM-UHFFFAOYSA-N 490.545 4.230 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4ccc([N+](=O)[O-])cc4)cc32)cc1 9738610 VBLIBATXFUVNHK-UHFFFAOYSA-N 451.504 4.297 5 40 JIBB COc1ccc(S(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)c(C)c(C)c2O)cc1 26786998 BQDDUEGOXCLPQK-UHFFFAOYSA-N 456.476 4.011 5 40 JIBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1c(F)cccc1Cl 33404153 BQBIDPSNHCGSFG-SOFGYWHQSA-N 461.833 4.324 5 40 JIBB COC(=O)Cn1/c(=N/C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c(C)cc(C)cc21 100910657 DKMSLEKBXAOVQE-DQRAZIAOSA-N 455.517 4.357 5 40 JIBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223740742 PDUFYWMIMBZYDH-OAQYLSRUSA-N 471.554 4.014 5 40 JIBB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224614992 JTGXWQSEFYIFAP-MRXNPFEDSA-N 463.987 4.423 5 40 JIBB N=C1NC(=O)/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(Br)c2)S1 408896975 PJTZEOWWJYZEHE-NSIKDUERSA-N 465.241 4.196 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1C)S(=O)(=O)c1ccccc1 409140732 IFDLHACYOVCSSE-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB O=C(N[C@@H](OC[C@@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 8914405 JKQCVFYUZYSNEZ-LESCRADOSA-N 464.777 4.302 5 40 JIBB biogenic Cc1ccc(N(C(=O)NC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 9354654 UGJNOMYPEWUXBL-UHFFFAOYSA-N 468.491 4.349 5 40 JIBB O=C(CSc1ccc([N+](=O)[O-])cc1)Nc1cccc(S(=O)(=O)Nc2ccccc2F)c1 9562703 YGLSTAITAOGCBT-UHFFFAOYSA-N 461.496 4.266 5 40 JIBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(-c2ccccc2[N+](=O)[O-])o1 10119941 JYPPYIMJCNFSMH-UHFFFAOYSA-N 462.447 4.282 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 18054255 IKRQVWJBYZXCQS-QHAWAJNXSA-N 467.840 4.438 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19820305 MMHSJBJPLIXQNE-XZOQPEGZSA-N 470.485 4.260 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 32113234 GRSYMUMCFHYGKC-XDHOZWIPSA-N 466.450 4.200 5 40 JIBB COC(=O)C1=C(C)Nc2nc(SCc3ccc([N+](=O)[O-])cc3)[nH]c(=O)c2[C@@H]1c1ccc(F)cc1 102754046 HDTXPOLJEVZGDA-GOSISDBHSA-N 482.493 4.114 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)CCc1ccccc1 103628815 LHSWEIRTFYBYOL-QVTSOHHYSA-N 498.583 4.391 5 40 JIBB CC[C@H](C(=O)c1ccccc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2C[C@@H](C)CC[C@H]2C1=O 408643215 FUZQBLBHVNVCAZ-HAFPXEGZSA-N 477.517 4.035 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccc(F)cc1 2093637 DRNIWGMOTRWLPP-OZXSUGGESA-N 484.487 4.100 5 40 JIBB biogenic CCOc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 13130282 BZNOHKCYXAMBDZ-QGZVFWFLSA-N 451.932 4.137 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(F)cc1F 108249023 OLKTYLHZOLSIQJ-UUASQNMZSA-N 453.810 4.201 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225055771 SCXJMGRDACJFIR-RBUKOAKNSA-N 457.596 4.468 5 40 JIBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 409177640 HFWARPBUNMAWFP-UHFFFAOYSA-N 494.843 4.097 5 40 JIBB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702712 TYDKFVHFFZOWOT-ICSRJNTNSA-N 451.504 4.377 5 40 JIBB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cnc([N+](=O)[O-])c2)cc1 12558996 NTUJLCUKZLZMRJ-QHCPKHFHSA-N 455.474 4.331 5 40 JIBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)CC1 20153253 YSXBASIKLIUECP-UHFFFAOYSA-N 476.942 4.310 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc([N+](=O)[O-])c1O 106738717 WYDCTBVFGUIZGX-ZWSORDCHSA-N 478.866 4.318 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O)N1CCCCC1 108197275 FZSQJUPFMQTUFT-STZFKDTASA-N 481.530 4.223 5 40 JIBB Cc1cc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)cc([N+](=O)[O-])c1C 205858054 VSHXZMRFSTVTSK-YBFXNURJSA-N 455.492 4.130 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225423163 DKTUKZKSUDFCII-MOPGFXCFSA-N 457.596 4.203 5 40 JIBB COc1ccc(C)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1 409313501 QBMROOIWQBJBBG-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB Cc1ccc(C(=O)[C@H]2[C@@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915309 QROPNDQWOQPCBZ-WOIUINJBSA-N 489.406 4.267 5 40 JIBB CC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 9062385 HOZQMHOYLJWHMV-UHFFFAOYSA-N 486.444 4.108 5 40 JIBB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9988388 OXVZOWXMRVOCJU-UHFFFAOYSA-N 452.323 4.454 5 40 JIBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12522448 PGAUGYYGXJKGSR-UHFFFAOYSA-N 497.555 4.277 5 40 JIBB COc1cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253717 KDVVNPZGBSQFAL-UHFFFAOYSA-N 499.545 4.139 5 40 JIBB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)oc2c1 32127660 FKXGDRZSUWIYOV-UHFFFAOYSA-N 465.447 4.081 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 9260993 NXRFEAGEZRUIRV-JSJZUPIVSA-N 450.856 4.496 5 40 JIBB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1)Nc1cccc([N+](=O)[O-])c1 9509886 FSMPRBUSSZWUCO-NRFANRHFSA-N 489.513 4.419 5 40 JIBB COC(=O)c1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)c1 9562892 OTPHQUJMNBDVFH-UHFFFAOYSA-N 489.893 4.088 5 40 JIBB C[C@H](Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-])C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 13128927 NMGLSHUVMKQXDE-PXRHCINRSA-N 469.460 4.042 5 40 JIBB COC(=O)c1cc(OC)c(OC)c(OC)c1NC(=O)c1cccc(OCc2ccccc2)c1[N+](=O)[O-] 20227945 ZCIKLFQURDKAOC-UHFFFAOYSA-N 496.472 4.239 5 40 JIBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)c1 57222826 ZLKDQMQYEWSJLG-UHFFFAOYSA-N 488.544 4.264 5 40 JIBB Cc1c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(Nc2c([N+](=O)[O-])c(C)c([N+](=O)[O-])c(C)c2[N+](=O)[O-])c1[N+](=O)[O-] 104066407 KLRUMXLUOGELHG-UHFFFAOYSA-N 495.317 4.113 5 40 JIBB Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cccc1[N+](=O)[O-] 1311011 QRRWBBCYYRYWCE-UHFFFAOYSA-N 450.520 4.179 5 40 JIBB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl)S(C)(=O)=O 10337136 TVYMPUXPGQACNT-UHFFFAOYSA-N 460.339 4.395 5 40 JIBB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)c1cccc(Cl)c1 10434151 ZVXKPPZVTJMPLP-UHFFFAOYSA-N 459.911 4.467 5 40 JIBB C[C@H](OC(=O)c1cnc(Cl)c(Cl)c1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 14361525 ZYWOVKQKKBKGHW-ZETCQYMHSA-N 452.172 4.499 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 409054784 NWSYHUWDFCCDPS-NRFANRHFSA-N 496.593 4.373 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 409142931 LWHVHIVVNCPNSW-UHFFFAOYSA-N 469.519 4.130 5 40 JIBB CC(C)COC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409212579 NEIHNHRFLPFWGC-MFOYZWKCSA-N 457.464 4.018 5 40 JIBB CS(=O)(=O)Nc1cccc(C2=NN(C(=O)c3cccs3)[C@H](c3cccc([N+](=O)[O-])c3)C2)c1 9392201 QUTMMLOTNPFURZ-IBGZPJMESA-N 470.532 4.019 5 40 JIBB Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])cc1 12312091 CAPZOPIQMFTZHE-JOCHJYFZSA-N 485.949 4.311 5 40 JIBB CC(C)=C[C@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)C1(C)C 12446071 RUGWGHHBGJIRFD-REWPJTCUSA-N 451.571 4.284 5 40 JIBB Cc1cc2nc(N3CCN(c4ccc(C(F)(F)F)cc4[N+](=O)[O-])CC3)c3ccccc3n2n1 13063156 DTLJQMQHFCRLSH-UHFFFAOYSA-N 456.428 4.445 5 40 JIBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)N1C[C@H](C)O[C@H](C)C1 16046342 KICZRVDEEVZWNG-NAMYYYICSA-N 483.546 4.398 5 40 JIBB O=C(c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1)N(Cc1cccs1)C1CC1 31939774 NSTLIDOINVJQMF-UHFFFAOYSA-N 457.533 4.262 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 408675993 MMWSDQVAYVYZSD-UHFFFAOYSA-N 473.482 4.169 5 40 JIBB O=C1[C@@H]2CS[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Br)cc1 3330724 YBUOLPRERCUDSU-HOCLYGCPSA-N 450.339 4.105 5 40 JIBB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064675 VDEAMIMMWOWPEV-UHFFFAOYSA-N 462.915 4.064 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@H]2CC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100433817 MGRGFFNQRQXCDH-TWSBKSAYSA-N 495.624 4.105 5 40 JIBB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223251027 FFAFLXZVVMFWAE-FCHUYYIVSA-N 451.552 4.174 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc([N+](=O)[O-])c1 408669046 VWPWOXVJCRBUBW-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB CCOC(=O)c1cc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3[N+](=O)[O-])C2=O)ccc1Cl 409163333 PVWKQLAEEHROEE-RQZCQDPDSA-N 489.893 4.100 5 40 JIBB CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3302379 MGZVWWGTQNCZRZ-UHFFFAOYSA-N 474.922 4.426 5 40 JIBB Cc1cc(S(=O)(=O)[C@@H](CNC(=O)c2ccc([N+](=O)[O-])c(C)c2)c2cccs2)ccc1F 9569339 AUUIKMSIISTEBS-FQEVSTJZSA-N 462.524 4.357 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccc(F)cc1 13811062 MIZCSTOGSNAMQH-ACRUOGEOSA-N 467.840 4.438 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)cc1 14831558 SIMPVAWEJOIYRI-LHHJGKSTSA-N 453.476 4.056 5 40 JIBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 15019511 OQLMHZLPROUSKD-ZDUSSCGKSA-N 473.942 4.326 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 33889532 IPWIVXRFWXSEAS-NEWJYFPISA-N 483.455 4.132 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408676577 ATONZVDVDGJPPW-WMZOPIPTSA-N 498.879 4.055 5 40 JIBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408840276 DDAVJNJDPNSVHH-AQIZGWBQSA-N 499.523 4.072 5 40 JIBB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 409175550 SMQKHBYQGXIRKX-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB O=C(COc1ccc(C2SCCCS2)cc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 8825273 QLAHPVOCGPHNDE-UHFFFAOYSA-N 463.533 4.452 5 40 JIBB O=c1/c(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)sc2nc(-c3cccc(Cl)c3)nn12 13757646 AHWUCQJWESBORU-WQRHYEAKSA-N 450.863 4.187 5 40 JIBB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1[N+](=O)[O-] 22633849 OQCBDXCYMZRRAE-OAQYLSRUSA-N 450.520 4.077 5 40 JIBB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225134578 RUAXRPOFXLIRHE-QFIPXVFZSA-N 457.596 4.470 5 40 JIBB O=C1N(Cc2c(Cl)cccc2Cl)c2ccccc2C12OCC(Br)([N+](=O)[O-])CO2 1440279 UPBGKOHUJWWTBD-UHFFFAOYSA-N 488.121 4.108 5 40 JIBB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)cc3n2)cc1 8832181 ASGAFMPLZGIXSB-UHFFFAOYSA-N 472.505 4.498 5 40 JIBB C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCC(=O)Nc2cccc(Cl)c2)n31 9344830 VBNAJTRPAONEGR-LLVKDONJSA-N 484.010 4.496 5 40 JIBB O=C(CSc1nc2ccccc2n1CCc1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 12539466 LMDILNRIFGCKGT-UHFFFAOYSA-N 460.515 4.236 5 40 JIBB CCCCOC(=O)c1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc1 100862917 JXFBDLMRBPBWAB-GAAJCNLQSA-N 467.526 4.077 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN23)cc1 103531158 HTFGQORUFSEBGG-JBXUNAHCSA-N 495.491 4.002 5 40 JIBB O=c1/c(=C\c2cc([N+](=O)[O-])ccc2O)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 408840279 DDAVJNJDPNSVHH-ZDGAQAAHSA-N 499.523 4.072 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409017451 WSADOACOZCYJFO-BXUJETTOSA-N 456.476 4.162 5 40 JIBB CCc1ccc(NC(=O)CN(c2ccc(OC)cc2OC)S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 409026283 KYEODHZJYVQLLQ-UHFFFAOYSA-N 499.545 4.008 5 40 JIBB COc1cc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])ccc1O 9312623 DMYBEYYSUCWYDA-VDVKDMFPSA-N 487.468 4.205 5 40 JIBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3C)scc12 9381424 QUMPXUGMYVPJHR-UHFFFAOYSA-N 492.513 4.401 5 40 JIBB COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 12292210 YWZJLLFRJHOBCG-VWLOTQADSA-N 478.501 4.417 5 40 JIBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13062911 YKLDNQNNNGAXJU-UHFFFAOYSA-N 462.472 4.179 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 35165695 DNHIPCVCHGGQRF-UWQCJCJPSA-N 497.507 4.232 5 40 JIBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408641865 DFVGTEFNXNJMKX-AWEZNQCLSA-N 477.860 4.173 5 40 JIBB COc1cccc2cc(-c3nnc(SCC(=O)Nc4cc([N+](=O)[O-])ccc4C)n3C)oc12 409341421 ANSYVYBUQJJQOS-UHFFFAOYSA-N 453.480 4.184 5 40 JIBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)cnc32)cc1Cl 2253236 YYPXKFMHYJIBTN-HNNXBMFYSA-N 461.909 4.125 5 40 JIBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc21 2720959 GWUMSSNGQOJCNV-UHFFFAOYSA-N 497.536 4.457 5 40 JIBB CN(C)S(=O)(=O)c1cccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)c1 9780576 CVDCWJFNNNVQJN-UHFFFAOYSA-N 475.523 4.388 5 40 JIBB O=C(CSc1nc(-c2ccccc2O)n[nH]1)N(Cc1cccs1)c1cccc([N+](=O)[O-])c1 12482534 BGSUEAWTFAQNTL-UHFFFAOYSA-N 467.532 4.473 5 40 JIBB C[C@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62395623 GEBTXSKRXGEJGD-OAHLLOKOSA-N 473.455 4.311 5 40 JIBB O=[N+]([O-])c1ccc2c(c1)[C@H]1Oc3ccc([N+](=O)[O-])cc3[C@H]3Oc4ccc([N+](=O)[O-])cc4[C@@H](O2)N13 226319585 VJUUKKWXCXXONU-NJDAHSKKSA-N 464.346 4.287 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)CC34CC5CC(CC(C5)C3)C4)CC2)c([N+](=O)[O-])c1 408573046 LHKARYAISOEMMJ-UHFFFAOYSA-N 455.555 4.027 5 40 JIBB CC(C)OC(=O)c1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 408623075 QRWQWLBZGKQTGV-MSRUFZRRSA-N 482.492 4.037 5 40 JIBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl 409026402 ODXVERPDLMEHNW-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409147668 NFNVRSRRUDISQZ-NRFANRHFSA-N 496.593 4.373 5 40 JIBB Cc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1C 409176336 KUVUNTLBWCLSKY-UHFFFAOYSA-N 453.472 4.084 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 9612646 RYQXCSYOPKVHRV-NRFANRHFSA-N 481.530 4.212 5 40 JIBB CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 13147768 ZCDIVCZGKMFKDI-UHFFFAOYSA-N 481.958 4.462 5 40 JIBB Cc1cc(C)n(CCCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)n1 24211400 RGFAXUUNICULLG-UHFFFAOYSA-N 455.902 4.134 5 40 JIBB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 40149311 IYHRRCLCHQPQKB-HSALFYBXSA-N 464.632 4.001 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224941186 MIRFFFHEFBELDH-AWEZNQCLSA-N 498.363 4.233 5 40 JIBB Cc1nn(C)c2nc(-c3cccc([N+](=O)[O-])c3)cc(-c3nnc(S)n3Cc3ccccc3)c12 8782561 YOLCDADUVVOFJJ-UHFFFAOYSA-N 457.519 4.447 5 40 JIBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCc1ccc(F)cc1 9860232 DEFMHCCBDKOQLB-UHFFFAOYSA-N 479.519 4.370 5 40 JIBB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(N3C[C@@H](C)C[C@H](C)C3)c([N+](=O)[O-])c2)c1 12660909 OZFGKHCWNXIKNT-HOTGVXAUSA-N 456.495 4.134 5 40 JIBB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 14276235 CEATWQBYCSPWQV-UHFFFAOYSA-N 475.958 4.324 5 40 JIBB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)c(Br)cc1O 106729100 HAGYGSHGZYDHIV-APSNUPSMSA-N 465.281 4.308 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cccc([N+](=O)[O-])c2C)cc1OC 408576376 SVWJMFGAOSXOES-UHFFFAOYSA-N 463.490 4.145 5 40 JIBB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)n1CC 408582261 MPESNCRRWPYMFJ-UHFFFAOYSA-N 457.512 4.011 5 40 JIBB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408678558 SQJLTTRMNOMBGR-UHFFFAOYSA-N 475.910 4.375 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCc1ccccc1 1885998 IZJAFLJHGFLIDR-NAKRPHOHSA-N 494.551 4.394 5 40 JIBB biogenic O=C(Nc1ccc([N+](=O)[O-])cc1)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 9136868 KNPYUBYMGCLBEJ-UHFFFAOYSA-N 452.920 4.457 5 40 JIBB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 9908023 KQPJJZYWFSRKAA-UHFFFAOYSA-N 492.532 4.426 5 40 JIBB Cc1cc2oc(=O)cc(COC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2cc1C(C)C 12650590 MEBOBEYBDRORHE-UHFFFAOYSA-N 466.490 4.327 5 40 JIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)NC(=S)Nc1ccc(Br)cc1C(=O)O 16384224 APXPGWCSXOVBAL-QHHAFSJGSA-N 484.715 4.235 5 40 JIBB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)c1 22751327 JBZLNSHAEHJZEK-UHFFFAOYSA-N 492.985 4.215 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225169608 UOXJSBZMZDMJSV-QGZVFWFLSA-N 461.559 4.301 5 40 JIBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)c1 409159183 VGHNMVMXFYHPLB-UHFFFAOYSA-N 455.540 4.465 5 40 JIBB Cc1ccc(-c2cnnn2-c2ccc(C(=O)COC(=O)c3ccccc3F)cc2)cc1[N+](=O)[O-] 48368611 WBAOUBCSEAGKDU-UHFFFAOYSA-N 460.421 4.330 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1cc(Cl)ccc1Cl 103628069 HDBWNTODCBNNRX-HFTWOUSFSA-N 499.354 4.455 5 40 JIBB O=C(COc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1Cl)Nc1cccc([N+](=O)[O-])c1 408562119 MUSQECXYSQDGQK-UHFFFAOYSA-N 479.873 4.206 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1OC 9356001 ZDIQPHUPZCMHSB-UHFFFAOYSA-N 483.908 4.490 5 40 JIBB O=C(OCc1nc2ccccc2s1)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 9631576 PPHOYICPUFCOEH-UHFFFAOYSA-N 469.500 4.362 5 40 JIBB COc1ccc(SCCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 10219644 JKLQTXRBHZETOL-UHFFFAOYSA-N 458.565 4.044 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](C)c2ccc3ccccc3c2)CC1 12980631 LLDWAQRZYKSILQ-SFHVURJKSA-N 481.574 4.335 5 40 JIBB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc([N+](=O)[O-])cc1)C(c1ccc(Br)cc1)=NN2c1ccccc1 101070635 GCJGOOWWYFJDCR-FPOVZHCZSA-N 491.301 4.140 5 40 JIBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1[N+](=O)[O-] 223134109 IQKMUYAJMJGBNJ-RUZDIDTESA-N 459.546 4.222 5 40 JIBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=C[C@@H](C)[C@H]2C1=O 408650245 LZVMPGKDXAQXEF-UGCQDJOBSA-N 495.919 4.074 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652909 IOAHIWWUYKKLRN-LMHXZZLNSA-N 481.291 4.398 5 40 JIBB O=C(CSCc1ccc([N+](=O)[O-])cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408920863 QANPJZZWDWMAAH-UHFFFAOYSA-N 457.533 4.268 5 40 JIBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409216269 JJCXRWISQNYXCL-SGEFVQMOSA-N 460.464 4.241 5 40 JIBB CCOC(=O)c1c(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2c1CCCC2 6599764 VEWIMODKGLDRGC-ZHACJKMWSA-N 459.549 4.238 5 40 JIBB Cn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 8445726 WDFAOLMGIAWANK-UHFFFAOYSA-N 488.529 4.373 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 9219639 FGXROTWYHNJZMI-QGZVFWFLSA-N 469.567 4.030 5 40 JIBB O=C(COc1ncnc2ccccc12)Nc1c(Br)cc([N+](=O)[O-])cc1Br 9373311 KECXEGJIOAMKGL-UHFFFAOYSA-N 482.088 4.081 5 40 JIBB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 59176423 DQIBYONBTYATAD-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408684442 NIEAFZANFAQLFT-MOPGFXCFSA-N 498.879 4.055 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408686618 SEZDJTVZUTUROZ-IQGAEYHTSA-N 486.311 4.266 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O)Nc1cccc(C(F)(F)F)c1 1106511 TVSRJVLEBNDNST-NVNXTCNLSA-N 451.382 4.289 5 40 JIBB Cc1cccc(NS(=O)(=O)c2cc(NC(=O)CC(=O)c3ccc([N+](=O)[O-])cc3)ccc2C)c1 9631565 NPNAFKSSORSFIK-UHFFFAOYSA-N 467.503 4.224 5 40 JIBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)O)c(Cl)c3)cc2[N+](=O)[O-])CC1 20153104 LJFWPQMQCVPNQD-UHFFFAOYSA-N 476.942 4.310 5 40 JIBB COc1ccc(C)c2sc(N(CCN3CCOCC3)C(=O)c3cc([N+](=O)[O-])ccc3Cl)nc12 22998702 HFSPIVUWFOZKFT-UHFFFAOYSA-N 490.969 4.154 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408680803 GTJWKEXARSAFGF-VQTJNVASSA-N 453.882 4.147 5 40 JIBB O=C(CCC(=O)OCc1ccc([N+](=O)[O-])cc1)Nc1ccc(Br)c2cccnc12 409179758 SZHOMRKQILAEDO-UHFFFAOYSA-N 458.268 4.368 5 40 JIBB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2CC)cc1 409343145 DOZAAICKWLCYFX-UHFFFAOYSA-N 455.540 4.387 5 40 JIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)OCC(=O)N(Cc1ccccc1)CC(F)(F)F 11278517 WDPFFUVJDHHOGK-UHFFFAOYSA-N 482.458 4.289 5 40 JIBB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 13856669 JNJLALYZCGUNOZ-GOSISDBHSA-N 490.468 4.175 5 40 JIBB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1 13997907 YAJOYBGMNQZDST-UHFFFAOYSA-N 470.463 4.173 5 40 JIBB CCC[C@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 19856716 HGDKIXHBJXPJHU-HNNXBMFYSA-N 483.974 4.065 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1F 102768250 YPBYBVVATNWJDL-NJYVYQBISA-N 467.840 4.438 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224432340 KXCMESIXEANUKK-GOSISDBHSA-N 498.363 4.233 5 40 JIBB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225104206 MJAIPJBSYWYOCT-QFIPXVFZSA-N 457.596 4.470 5 40 JIBB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 9540132 UNPKZCPSINZIGR-XMMPIXPASA-N 488.500 4.449 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 14273574 AZLGKGAWRMKFBI-UHFFFAOYSA-N 454.870 4.056 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2cccc(C)c2)cc1 19856281 YQPWNLRXRACEEW-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1 408562531 QSCMRXQIVNPMOZ-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C(=O)Nc2cc([N+](=O)[O-])ccc2C)CC1 408701122 RWACLHDOIHHQOO-UHFFFAOYSA-N 475.567 4.075 5 40 JIBB Cc1nc2ccccc2c(=O)n1-c1cccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)c1 9707398 BSKYEUNGEINJJJ-UHFFFAOYSA-N 470.894 4.057 5 40 JIBB COc1cc(C(=O)OCc2cccc([N+](=O)[O-])c2)ccc1OCC(=O)Nc1ccc(F)cc1 13076357 QLDCZHRWMSRYFH-UHFFFAOYSA-N 454.410 4.117 5 40 JIBB COc1cc(C(=O)NCc2ccc(CN3C[C@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c(OC)c1OC 40121400 WPFDMWPKWUQUIY-IAGOWNOFSA-N 471.554 4.029 5 40 JIBB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 108093732 SXBKBOJMHLOBOX-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408680801 GTJWKEXARSAFGF-PMACEKPBSA-N 453.882 4.147 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1[N+](=O)[O-] 409227704 VESKEQUNZRWFMZ-RQZCQDPDSA-N 477.292 4.285 5 40 JIBB COc1cc(/C=C2\N=C(c3ccc(Cl)c([N+](=O)[O-])c3)OC2=O)cc(Cl)c1OC(C)=O 2341813 FKIIJCFDCLFWDA-NSIKDUERSA-N 451.218 4.180 5 40 JIBB COc1ccc(OCCCC(=O)O[C@@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9485754 UKHKBECDDROPMA-ZDUSSCGKSA-N 470.400 4.352 5 40 JIBB Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N(C)Cc1cc([N+](=O)[O-])ccc1Cl 9951547 RDURBFPWUNFPOC-UHFFFAOYSA-N 487.965 4.307 5 40 JIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccc(C(=O)NCC(F)(F)F)cc1 12527461 ZJNBAFMMHDOKQH-UHFFFAOYSA-N 453.420 4.086 5 40 JIBB Cc1nn(-c2ccccc2)c(OC(=O)c2ccc(F)cc2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976900 UHBGUANHJFPJFB-UHFFFAOYSA-N 481.461 4.280 5 40 JIBB Cc1nn(CC(=O)OCC(=O)N(Cc2ccc(F)cc2)C23CC4CC(CC(C4)C2)C3)c(C)c1[N+](=O)[O-] 25117894 CSGXFNFZLOOVOM-UHFFFAOYSA-N 498.555 4.088 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccc(F)cc2)cc1 408589065 YGONHXJUXROFHO-UHFFFAOYSA-N 471.510 4.180 5 40 JIBB CCn1c2ccccc2c2cc(NC(=O)CN(c3cc([N+](=O)[O-])ccc3OC)S(C)(=O)=O)ccc21 408620164 NDHWAIYDEJMMQN-UHFFFAOYSA-N 496.545 4.136 5 40 JIBB COc1cc([C@@H]2C=C(c3ccccc3F)Nc3nc(C(F)(F)F)nn32)cc([N+](=O)[O-])c1O 3395395 GDMWREDJLGZUBR-ZDUSSCGKSA-N 451.336 4.114 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10363472 IPDNWJZPAGKZBH-UHFFFAOYSA-N 457.483 4.261 5 40 JIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)c1nc(CN2CCOCC2)nc2sc3c(c12)CCC3 12816659 JJCXLWJBZXWNRS-UHFFFAOYSA-N 473.986 4.210 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13677254 LRNJUAZUJRPTHD-AWEZNQCLSA-N 486.377 4.391 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)cc1C 13980893 XRKBTJSWPXURQW-UHFFFAOYSA-N 470.463 4.173 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 18154767 MUBGMWLUYWCMQE-HBMCJLEFSA-N 467.840 4.438 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c([N+](=O)[O-])c4)cc3)CC2)cc1 40718038 UXTWSLYOIJZQMH-UHFFFAOYSA-N 474.517 4.127 5 40 JIBB CCCCn1/c(=N\C(=O)c2cc3ccccc3o2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103001477 FHUFNKUPYJXKQD-OLFWJLLRSA-N 484.512 4.113 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1OC 408574805 DIPDJUMMQNCIPE-ACCUITESSA-N 475.501 4.236 5 40 JIBB COc1cc2nc3ccc(NC(=S)N4CCN(c5ccccc5)CC4)cc3nc2cc1OC 408996263 LTDZDIYZWDZCNF-UHFFFAOYSA-N 459.575 4.319 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCC1 2118112 SCVTZUZOYRKTOU-WIOPSUGQSA-N 458.518 4.094 5 40 JIBB biogenic O=C1OC(c2ccc(Cl)c([N+](=O)[O-])c2)=N/C1=C\c1ccccc1I 3145667 JQESJPXNXXEITD-QPEQYQDCSA-N 454.607 4.197 5 40 JIBB CCCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)c4cccc([N+](=O)[O-])c4)cc3C2=O)cc1 3196643 KDDJYAZSJQTQDB-UHFFFAOYSA-N 458.426 4.193 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1[N+](=O)[O-] 14186169 ATOCIGMTJFHHER-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])cc1 14273541 STVMAWSROSJYSX-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 58164493 HBFCWCPWFPIVTR-VGOFRKELSA-N 453.882 4.358 5 40 JIBB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222901699 SWXXOBVSYMSVQB-JOCHJYFZSA-N 457.596 4.203 5 40 JIBB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C1=O 409368402 UGKAVJZDGJSHOB-QDBPJBAASA-N 482.492 4.073 5 40 JIBB CCCCc1nc2cc(NC(=O)CCC(=O)OCC)c(C)nc2n1Cc1cccc([N+](=O)[O-])c1 13509742 BEOHOKLBTDVFQE-UHFFFAOYSA-N 467.526 4.321 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 20802697 JUPCMECQNDLHHS-NHCUHLMSSA-N 450.495 4.106 5 40 JIBB O=C(N[C@@H](C(=O)O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-])OCC1c2ccccc2-c2ccccc21 38528698 XGUOKHSBJCERPQ-OAQYLSRUSA-N 463.402 4.167 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223744446 LQJCLDGWFCMHJT-VXKWHMMOSA-N 466.519 4.176 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O)N1CCCC1 408552432 UHBZTHUFLCFILU-LPYMAVHISA-N 490.541 4.257 5 40 JIBB COc1ccc(C(=O)[C@H](OC(=O)CCC(=O)Nc2ccc(OC)cc2[N+](=O)[O-])c2ccccc2)cc1 409175315 ZDOIFFKOAPEJNP-AREMUKBSSA-N 492.484 4.498 5 40 JIBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3cc(Cl)ccc3[N+](=O)[O-])scc12 9381337 QMCZXQQKKFPLFG-UHFFFAOYSA-N 498.904 4.438 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 9391237 RPJKYVPKYYUWKZ-QFIPXVFZSA-N 466.519 4.158 5 40 JIBB biogenic C[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)c2C(N)=O)C1 14276570 HZPCXLTXMVXQJM-LLVKDONJSA-N 484.559 4.267 5 40 JIBB O=C(O)c1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)c(Cl)cc1Cl 20153335 HSGLTDUBVCWJAE-UHFFFAOYSA-N 483.333 4.327 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccccc1 214472458 VNADEVJNXLPRMQ-DEDYPNTBSA-N 462.487 4.120 5 40 JIBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223411105 NKIYRHGQFRRFET-DEOSSOPVSA-N 463.509 4.053 5 40 JIBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224734145 ZQWHMPXIAALUGB-HXUWFJFHSA-N 491.972 4.215 5 40 JIBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225609589 IWGIVAQKHOFFQL-JXFKEZNVSA-N 491.972 4.358 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408686874 SNKMHSSPLQNFMW-GJZGRUSLSA-N 474.300 4.410 5 40 JIBB CCc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1OC)S(=O)(=O)c1ccc(C)cc1 409113331 HVEJTLVLOFEFTA-UHFFFAOYSA-N 483.546 4.308 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1 942749 YNXXYPLUQPAUNA-XMMPIXPASA-N 493.541 4.018 5 40 JIBB Cc1cc(C(=O)N[C@H](CC(=O)OCc2ccccc2)C(=O)OCc2ccccc2)cc(C)c1[N+](=O)[O-] 8386075 NMAALCUKHBNXDM-HSZRJFAPSA-N 490.512 4.187 5 40 JIBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)Nc1ccccc1C(N)=O 8792168 GCMDBJFCWVEPFE-HNNXBMFYSA-N 476.492 4.097 5 40 JIBB biogenic O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccccc1SC(F)F 10125093 DXJGDDOZDVIXST-UHFFFAOYSA-N 451.451 4.305 5 40 JIBB CC1CCN(c2ccc(C(=O)Nc3sc4c(c3C(N)=O)CC[C@@H](C)C4)cc2[N+](=O)[O-])CC1 57315650 ZMHJHSKBJGBDRY-CQSZACIVSA-N 456.568 4.369 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)N1CCCC1 205912021 RLJRZZBPWTZAQL-LICLKQGHSA-N 461.883 4.167 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(OC(F)(F)F)cc1 224858399 FCVKBXQOJLPVHJ-UHFFFAOYSA-N 495.435 4.327 5 40 JIBB COc1ccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)cc1 408986060 LLITXFYYCHTJFB-UDWIEESQSA-N 474.425 4.176 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 409363067 UHLZJYPFSPAULB-ZDUSSCGKSA-N 488.957 4.081 5 40 JIBB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1 898374 DCXQVOGCPZIUCY-LPHOPBHVSA-N 467.551 4.460 5 40 JIBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 8972044 GGDLLVHIXFVNHN-JBXUNAHCSA-N 457.486 4.089 5 40 JIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2cccc3cccnc23)CC1 12528631 NWORWQGOAFVGBU-UHFFFAOYSA-N 462.553 4.047 5 40 JIBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)c1 16194112 VRTKEOLOOPAIIP-UHFFFAOYSA-N 485.880 4.384 5 40 JIBB COc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCc1ccc(Cl)c(Cl)c1 34849398 YRYGNOVDZXPBHM-ZZXKWVIFSA-N 464.261 4.449 5 40 JIBB COc1ccc(CCn2ccc3nc4ccn(Cc5ccccc5)c(=O)c4cc3c2=O)cc1OC 40398778 JKUDCKGGLIEXFE-UHFFFAOYSA-N 467.525 4.020 5 40 JIBB C[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223162483 HMOFPJGBGLQLHH-SFHVURJKSA-N 479.558 4.156 5 40 JIBB Cc1cc(C)c([C@@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 223485455 SSUISYCXSJNLLY-LJQANCHMSA-N 461.584 4.252 5 40 JIBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224047794 JUCBXPXYLFXMNG-SFHVURJKSA-N 485.606 4.313 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccccc1 248112293 NZIIGMMMXFUKHO-OJJQZRKESA-N 479.492 4.176 5 40 JIBB Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1N1C(=O)c2cccc3cc([N+](=O)[O-])cc(c23)C1=O 408974653 GDEHOOSMJXRHOS-UHFFFAOYSA-N 457.402 4.259 5 40 JIBB COC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)S1 1846052 XAEHVNPLWDPAMM-NRFANRHFSA-N 470.532 4.320 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)Nc1cccc([N+](=O)[O-])c1 3235165 ZAKKGHUKCIGTLX-UHFFFAOYSA-N 468.441 4.303 5 40 JIBB CCc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2-c1cccc(C(C)=O)c1 6150872 GLCNULCZQJFDSK-LJQANCHMSA-N 467.529 4.228 5 40 JIBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 9288561 UESKXRIFXCBZBP-HSZRJFAPSA-N 456.454 4.498 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 13607863 DNHIPCVCHGGQRF-KPGAXOGXSA-N 497.507 4.232 5 40 JIBB COc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 14271181 ICVAVSTVDQLLRT-UHFFFAOYSA-N 456.505 4.044 5 40 JIBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc([N+](=O)[O-])cc2)N1CCCn1ccnc1 15671127 PHYOHKSBPPWGHP-FQEVSTJZSA-N 464.865 4.187 5 40 JIBB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)c(C)c2)cc1[N+](=O)[O-] 21595442 WWBRUKYUOWCMNX-UHFFFAOYSA-N 469.304 4.251 5 40 JIBB CC[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 224974071 YCCDEQZZRVMPDD-OAQYLSRUSA-N 474.583 4.077 5 40 JIBB COc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OS(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 408542373 IPWJSMRBQPPWCM-RMKNXTFCSA-N 475.435 4.055 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408568814 URWWYZYYEWWZLB-IUVRIDBFSA-N 491.519 4.372 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1cc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)ccc1Cl 3014720 OWDPXJVMBMUZAD-UHFFFAOYSA-N 476.854 4.210 5 40 JIBB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3)scc12 9381588 MIDQDYWLXABLGG-UHFFFAOYSA-N 498.904 4.438 5 40 JIBB CCCn1c(/C(Cl)=C/c2cccc([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12580687 YVFBHDCJOURQFH-RGEXLXHISA-N 490.969 4.112 5 40 JIBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13003655 JVGOGTAPCUOXTH-QFIPXVFZSA-N 461.426 4.273 5 40 JIBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccs2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 13628376 KWFYSNJTTGOGSJ-QATBIIFWSA-N 463.515 4.041 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc(F)cc1 13805556 IKRQVWJBYZXCQS-ACRUOGEOSA-N 467.840 4.438 5 40 JIBB COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1 20671628 JZUHZDBWHUBKHB-MRXNPFEDSA-N 461.503 4.246 5 40 JIBB CN1CCN(CCCCNc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2[N+](=O)[O-])CC1 29619480 PIFWCWIZUOAQBU-UHFFFAOYSA-N 461.566 4.440 5 40 JIBB C[N+](C)(CCOC(=O)[C@](O)(c1ccccc1)C1CCCC1)COC(=O)C12CC3CC(CC(C3)C1)C2 9056973 SZYGKUTXRIDPES-NIOOHAQASA-N 484.657 4.401 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1C 9094930 MRGQXKFHGWHLBV-UHFFFAOYSA-N 495.557 4.371 5 40 JIBB O=C(COC(=O)Cn1c(SC(F)F)nc2ccccc21)Nc1ccc(Cl)cc1[N+](=O)[O-] 9219690 GGLZLDJMXMHOCB-UHFFFAOYSA-N 470.841 4.095 5 40 JIBB O=C(COC(=O)[C@@H](CC(=O)c1ccccc1)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 9371658 CYVFPADIGSYKHV-OAQYLSRUSA-N 450.422 4.214 5 40 JIBB CCCCN(CCCC)C[C@@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9428111 SSAYYUVTNYJTOG-HSZRJFAPSA-N 477.627 4.362 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCC[C@@H]1c1nc2ccccc2s1 9780877 NZYZEOOYBSYGOT-GOSISDBHSA-N 458.565 4.331 5 40 JIBB COc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3c(c2=O)SCC3)cc1OC 12140699 CFAFPTGVNKGNBU-UHFFFAOYSA-N 457.533 4.098 5 40 JIBB CSc1ccc(C(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)cc1[N+](=O)[O-] 13138223 GEELLVPEMNLHLD-UHFFFAOYSA-N 457.533 4.394 5 40 JIBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(Cl)c([N+](=O)[O-])c1 16476673 WOPRANJMKSKQTL-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB CC[C@H](C)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257506 SAWRCAMRFFXSGB-INIZCTEOSA-N 484.509 4.177 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCC[C@@H](N2CCCC2)C1 71811109 VRXVCTLIYROBJK-MRXNPFEDSA-N 464.975 4.114 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccccc1 103001312 RQTBJTYMPHVKNI-RMLRFSFXSA-N 470.529 4.072 5 40 JIBB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225677392 MLYSYTONZCFRGN-KRWDZBQOSA-N 461.559 4.157 5 40 JIBB Cc1ccc(C(=O)O)cc1NC(=O)c1cc(C(=O)Nc2cc(C(=O)O)ccc2C)cc([N+](=O)[O-])c1 408673796 VLBUYIIULHXAMX-UHFFFAOYSA-N 477.429 4.113 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 976479 AWJFEVBDGLDQBB-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB CC[C@@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 12767158 GJDHWVBUBZTVGC-GOSISDBHSA-N 498.026 4.246 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1[N+](=O)[O-] 16362560 GDOWMCDMUAQGCP-UHFFFAOYSA-N 474.517 4.127 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 19856168 LGSMMTGOWDQVSD-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C 20798664 HTTUXASJSJIZNV-LJQANCHMSA-N 451.479 4.040 5 40 JIBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 21576600 MPMBKQILYUGQRS-JXMROGBWSA-N 456.930 4.349 5 40 JIBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224177422 LHJZBXZPQIQLAR-IBGZPJMESA-N 457.596 4.326 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(F)c3)c2ncn1Cc1ccc2c(c1)OCO2 2454133 JNJWZADKAALSEC-UHFFFAOYSA-N 465.444 4.200 5 40 JIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1cccc(S(=O)(=O)N2CCCCC2)c1 2654438 GCHDNYJSEHTWPZ-UHFFFAOYSA-N 477.538 4.478 5 40 JIBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 9056354 ZPZKWWDBBHMJLQ-CAZKKTPXSA-N 475.298 4.498 5 40 JIBB biogenic O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)Nc1ccnn1Cc1ccc(Cl)cc1Cl 14673329 VBBBHPYDNYUXIR-UHFFFAOYSA-N 490.303 4.473 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCC(N(C)Cc3cccc(C(F)(F)F)c3)CC2)cc1[N+](=O)[O-] 48331715 JMDAZGCINRUYBA-UHFFFAOYSA-N 471.501 4.207 5 40 JIBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1cccs1 408649992 LXFPYEVMQVHEAZ-KRWDZBQOSA-N 450.472 4.102 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 409122370 YTCYAAMEQSGZGY-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)cc(Br)c1OCc1ccc([N+](=O)[O-])cc1 409229131 KEHRJYUMVXYRNJ-LICLKQGHSA-N 490.310 4.248 5 40 JIBB CCCCOC(=O)COc1cc(OCC(=O)OCCCC)c2c(c1)oc(=O)c1ccccc12 6480690 DWTCNCUPBSCHGI-UHFFFAOYSA-N 456.491 4.390 5 40 JIBB CN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1ccc(Nc2ccccc2)c([N+](=O)[O-])c1 17968301 UIZFYUIRMPMCNN-UHFFFAOYSA-N 458.396 4.466 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NCCCNc3ccccn3)c([N+](=O)[O-])c2)c(C)c1 32935577 WNHDMYSKXGOHSM-UHFFFAOYSA-N 455.540 4.322 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)N1CCc2ccccc2C1 409354879 ATUIIVXFWRDICM-LPYMAVHISA-N 489.509 4.476 5 40 JIBB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 918511 UUJSPEGXUDYVAB-UHFFFAOYSA-N 493.541 4.226 5 40 JIBB COc1ccc([C@@H]2SCCN2C(=O)c2cc3cc(Br)ccc3oc2=O)cc1[N+](=O)[O-] 2280876 XQHHZZRELBAEPX-IBGZPJMESA-N 491.319 4.360 5 40 JIBB CC(C)c1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@H]2CCS(=O)(=O)C2)cc1 9327790 BQSVRYVFJVBFRJ-SFHVURJKSA-N 450.944 4.201 5 40 JIBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@@H](Nc1ccc(F)c(Cl)c1)C(Cl)(Cl)Cl 12564773 SRJBOQICQDJGJK-CYBMUJFWSA-N 489.118 4.427 5 40 JIBB Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 57264330 NZFPYWRQZPDQSI-UHFFFAOYSA-N 484.560 4.099 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 57688677 AUHWNSQJUVXKDA-UHFFFAOYSA-N 471.970 4.441 5 40 JIBB CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102761749 LJXSTPREHRDJNC-FDFHNCONSA-N 461.499 4.368 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565055 HMDPRXGQFFJQPI-PTJQVGQKSA-N 487.556 4.495 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccccc3OCc3cccc([N+](=O)[O-])c3)C2=O)cc1 409023417 MKOICZVQVYUZGV-HYARGMPZSA-N 486.484 4.014 5 40 JIBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OC(C)C 409351836 ZNAZFRSWEZGSCP-JAIQZWGSSA-N 456.476 4.310 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCc4ccccc4)cc3c3ccnc2c31 8792346 LSKWPSXTYOUBLU-UHFFFAOYSA-N 493.519 4.304 5 40 JIBB biogenic CCc1nnc2sc(-c3ccc(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c(C)c3)nn12 14273971 PPAQOWLHWXNMOW-UHFFFAOYSA-N 481.563 4.067 5 40 JIBB COc1ccc([C@@H]2S/C(=C/c3ccc([N+](=O)[O-])cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 17219252 WLJPFGZFSLROGT-DIXABZHVSA-N 475.526 4.492 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 97477324 HWJLUUFLOUQPQJ-WUEDSLEZSA-N 479.492 4.176 5 40 JIBB O=C(CCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2ccccc2c1=O)NCc1ccco1 2973475 JXAVQSMWUPPIOY-UHFFFAOYSA-N 478.530 4.287 5 40 JIBB O=C(NC(=S)Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccccc1[N+](=O)[O-] 8831253 DKYAMKXFRAYOCZ-UHFFFAOYSA-N 452.883 4.109 5 40 JIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1cc(C(F)(F)F)ccc1-n1cncn1 14808771 VNHCRPLYBSUEGO-UHFFFAOYSA-N 463.419 4.393 5 40 JIBB O=[N+]([O-])c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@H]3CCCO3)o2)c1 260922631 QPYFWRRQBXLGCE-ZPMCFJSWSA-N 450.520 4.401 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 408566277 FFMZHAPNBQOOGU-POIRLRRGSA-N 463.921 4.487 5 40 JIBB COc1cccc(C(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408682949 KJOGJEBPPOYUHQ-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 409113163 DRSMKRQQXQDFOV-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB COC(=O)c1c(NC(=O)c2ccccc2OC)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 8445740 BRZQXKWPSGTIKU-UHFFFAOYSA-N 469.475 4.265 5 40 JIBB Cc1ccc([C@H](NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C2CC2)cc1 11233992 ZTFVZCZEQYYNRL-QFIPXVFZSA-N 491.997 4.225 5 40 JIBB CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(Br)ccc21 100873376 NCGQQHJGFDYGTM-ZZEZOPTASA-N 450.314 4.151 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223509886 OWMPACNTUSTVEC-GOTSBHOMSA-N 456.531 4.348 5 40 JIBB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224615040 JTGXWQSEFYIFAP-INIZCTEOSA-N 463.987 4.423 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408682932 KJBSTXQQLXPXHD-NIKGAXFTSA-N 455.898 4.227 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408685176 OXTVSUZKEWOXDL-AFHBHXEDSA-N 488.327 4.490 5 40 JIBB CCOc1cc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc(Br)c1OCC 409368450 WLGMEYMZCKNGIO-UHFFFAOYSA-N 452.257 4.194 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 138902223 DWMFHHMYWPFVIY-WZBLMQSHSA-N 488.327 4.490 5 40 JIBB O=C(NCc1ccc(CN2CCOCC2)cc1)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 224541403 QKLYPBCFYMPTJV-NLRVBDNBSA-N 457.530 4.284 5 40 JIBB NC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3[N+](=O)[O-])o2)c2ccccc12 226767543 LGLAHWISOZNXSM-UHFFFAOYSA-N 454.236 4.359 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 408569777 XULXHVMPBUWADJ-LPVCTFIXSA-N 463.921 4.487 5 40 JIBB Cc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1C 914264 IJVNWLGNWGRZIL-UHFFFAOYSA-N 477.542 4.444 5 40 JIBB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 2102521 LPHZEGYIWQSRPL-UHFFFAOYSA-N 457.420 4.279 5 40 JIBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)Cc1ccccc1[N+](=O)[O-] 8883630 UXVJSKJDUYHUMG-UHFFFAOYSA-N 468.487 4.224 5 40 JIBB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1C[C@@H](O)COc1cccc([N+](=O)[O-])c1 32854221 MHSGAOFYDYTENX-MRXNPFEDSA-N 457.895 4.127 5 40 JIBB COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=S)n2[C@H](C)c1ccccc1 36617201 AWKRTKOUDMUGSJ-CYBMUJFWSA-N 462.487 4.425 5 40 JIBB O=C1[C@H]2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 100949338 ZWNVFYNPUBFYSU-PZJWPPBQSA-N 491.301 4.140 5 40 JIBB Cn1c(=O)c(C(=O)C[C@@H](Nc2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)c(O)c2ccccc21 104827732 JRXHFKVJZLJHRD-LJQANCHMSA-N 487.468 4.307 5 40 JIBB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225255002 MHASUJZVRGJYFT-OAQYLSRUSA-N 461.559 4.301 5 40 JIBB O=c1c2c3c(sc2n(Cc2cccc([N+](=O)[O-])c2)c(=O)n1-c1ccc(Cl)cc1)CCC3 2687559 BJRXZEKDLYBPRN-UHFFFAOYSA-N 453.907 4.313 5 40 JIBB CS(=O)(=O)c1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] 3449108 WASKSRWNLHKGLQ-HSZRJFAPSA-N 478.482 4.261 5 40 JIBB C[C@@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)N1 27460238 XWBIOHAPXYUADL-MPBGBICISA-N 494.301 4.398 5 40 JIBB CCn1c2ccccc2c2cc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)ccc21 408630831 WXUNDUQPNQMPMS-UHFFFAOYSA-N 466.519 4.127 5 40 JIBB Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2cn3ccsc3n2)c2ccccc2)c([N+](=O)[O-])c1 9631541 XJSACGLSMQBQNB-FQEVSTJZSA-N 450.476 4.078 5 40 JIBB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 16037705 ARROASCPBJVBSE-ZYQDXHPFSA-N 495.491 4.002 5 40 JIBB CCc1ccc(-c2nn(-c3cc([N+](=O)[O-])ccc3N3CCN(C)CC3)c(=O)c3ccccc23)cc1 16162068 DLDMPGDNULTOPM-UHFFFAOYSA-N 469.545 4.275 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 21124284 XRKHZMADOBPDIA-UHFFFAOYSA-N 488.422 4.318 5 40 JIBB COc1ccc(-c2nn(Cn3cc([N+](=O)[O-])cn3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 22715931 IGJBZSBUEIAQGK-UHFFFAOYSA-N 479.493 4.170 5 40 JIBB Cc1onc(C(=O)Nc2cc(C)n(Cc3c(Cl)cccc3Cl)n2)c1Cn1cc([N+](=O)[O-])cn1 22748267 OINOIHOZXYCXJR-UHFFFAOYSA-N 490.307 4.248 5 40 JIBB CCOc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)c([N+](=O)[O-])cc1OC 28000032 JQXQBFKVNSMAOT-JTQLQIEISA-N 457.266 4.493 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565179 INWFJGCTTGGURQ-KTIISADKSA-N 473.529 4.151 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408650238 LZVMPGKDXAQXEF-RPQNVMPDSA-N 495.919 4.074 5 40 JIBB COc1ccc(-n2c(=O)c3ccc4c5ccc6c(=O)[nH]c(=O)c7ccc(c8ccc(c2=O)c3c48)c5c67)cc1 5387000 OURAFCLGFLACQM-UHFFFAOYSA-N 496.478 4.487 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccc(-n4ccnc4)nc3)c([N+](=O)[O-])c2)c(C)c1 9112221 HLPXRXXIDDMSFH-UHFFFAOYSA-N 478.534 4.205 5 40 JIBB C[C@@H](Sc1nnc(C2CCCCC2)n1N)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9284539 LKXVJJRHQJAAFR-GFCCVEGCSA-N 473.584 4.191 5 40 JIBB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)c1C 14126326 OYSKEYIVYZQKJZ-UHFFFAOYSA-N 461.931 4.303 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)C(C)(C)C)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 34847946 FHPNSECRCBHIPP-CZYKHXBRSA-N 459.502 4.034 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1ccc2ccccc2c1 222755136 HNBYHQITKJUKPR-UHFFFAOYSA-N 475.526 4.260 5 40 JIBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1[N+](=O)[O-] 408648506 YLFHDSMIIFPNBA-LLVKDONJSA-N 452.692 4.311 5 40 JIBB Cc1ccc(NC(=O)Cn2c3c(sc2=O)[C@H]2c4cc([N+](=O)[O-])ccc4OC[C@@H]2CS3)cc1 2659136 FEUOYRRSMVIZFB-BFUOFWGJSA-N 469.544 4.011 5 40 JIBB COCCCNC(=O)c1c(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc2c1CCCC2 2668430 GYSPXHGYFCULAK-UHFFFAOYSA-N 451.932 4.207 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1ccc([N+](=O)[O-])cc1 6878346 MHFPIYWAYMVTMZ-UHFFFAOYSA-N 462.875 4.166 5 40 JIBB O=[N+]([O-])c1ccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)cc1 13894386 MWZKCPHVVUMJFR-UHFFFAOYSA-N 466.342 4.386 5 40 JIBB COc1ccc(C(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1[N+](=O)[O-] 13896782 VAYJSYUGKZGTFY-UHFFFAOYSA-N 488.802 4.420 5 40 JIBB Cc1ccc(-c2csc3nc4c5ccccc5c(NCCN5CCOCC5)nn4c(=O)c23)cc1 15225627 GJZGMTVNZWWVSF-UHFFFAOYSA-N 471.586 4.177 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(NC(C)=O)c1 19929475 KZDRCZWCXWLPOC-UHFFFAOYSA-N 474.930 4.216 5 40 JIBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 27016398 HFRHYXPDGSXHKI-HXUWFJFHSA-N 464.865 4.245 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565732 LYNGNBDBJFUGOW-VPHKFGTKSA-N 463.921 4.441 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCCN12 408566019 MQFLUVULGUOSNZ-RAKSCHNQSA-N 455.514 4.320 5 40 JIBB CCOC(=O)c1cc(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)cc([N+](=O)[O-])c1 10857635 DGPZZSYQCRTQAD-UHFFFAOYSA-N 450.447 4.135 5 40 JIBB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 18141734 TVXUPODSUZCLEI-VSKRKVRLSA-N 479.876 4.308 5 40 JIBB COc1ccc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc1OCc1ccc(Cl)cc1Cl 33676622 MXJDHGATBHWHPW-QHHAFSJGSA-N 464.261 4.449 5 40 JIBB C[C@]1(O)CC(=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 100574064 RADGSAFFTXGRGW-VNAWGFGGSA-N 457.482 4.400 5 40 JIBB CN[C@H]1C[C@@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 103133001 HKSZLNNOFSGOKW-UAXGJYLHSA-N 466.541 4.354 5 40 JIBB COc1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc([N+](=O)[O-])c1O 408874857 DMXIVHLDFOBWMX-CHHVJCJISA-N 497.407 4.003 5 40 JIBB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409216268 JJCXRWISQNYXCL-NNLQFVHNSA-N 460.464 4.241 5 40 JIBB CC(C)(C)c1ccc(-n2c3nc(=O)n(-c4ccccc4CO)c(=O)c-3cc3ccccc32)cc1 1857714 QHQVMGDZIBWUBJ-UHFFFAOYSA-N 451.526 4.431 5 40 JIBB Cc1nc2c(c(=O)n1Cc1ccc3c(c1)OCO3)c1nc3ccccc3nc1n2Cc1ccccc1 2260142 AOINJUXNGWFEKD-UHFFFAOYSA-N 475.508 4.428 5 40 JIBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(C)c3[N+](=O)[O-])ccc2C)cc1 8723629 OKOZREFFTRGWJL-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB CC(C)c1ccc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)[C@@H]2CCS(=O)(=O)C2)cc1 9327787 BQSVRYVFJVBFRJ-GOSISDBHSA-N 450.944 4.201 5 40 JIBB COc1ccc(Cl)cc1NC(=O)CN(C)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 12552971 RAWXUUBLDPFIKQ-UHFFFAOYSA-N 474.945 4.348 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13817124 YEFGLTRQXFZXPC-TUGCOKMYSA-N 486.553 4.117 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1[N+](=O)[O-] 409167762 MUYBRDJXKDHXDF-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 2658933 XHRXKBBEVXPGCO-UHFFFAOYSA-N 464.861 4.225 5 40 JIBB COc1ccc(-c2onc(C(=O)c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 3848867 JJKJCEQGZSFCQC-UHFFFAOYSA-N 464.455 4.322 5 40 JIBB biogenic COc1ccc(Cl)cc1NC(=O)CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1 9599929 PWMHJLQCORUHDT-UHFFFAOYSA-N 479.927 4.091 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 18153816 JGMJWZMVMXJXCW-FKBYEOEOSA-N 463.877 4.295 5 40 JIBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224785188 SBPMMFXITGJLGJ-UHFFFAOYSA-N 483.546 4.293 5 40 JIBB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c([N+](=O)[O-])c1 409181387 CCKYCRLNPQTTLV-VWLOTQADSA-N 462.458 4.490 5 40 JIBB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 8833189 FSOWYLFTCQYRSV-UHFFFAOYSA-N 478.578 4.253 5 40 JIBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2ccc3c(c2)OCCO3)n1 9662330 JXNJAIYWLQKUMB-UHFFFAOYSA-N 487.515 4.078 5 40 JIBB CCn1c(COc2ccc([N+](=O)[O-])cc2Cl)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 21374866 RCSBHUAZRVJBGS-UHFFFAOYSA-N 478.958 4.371 5 40 JIBB CCn1c(Sc2ccc([N+](=O)[O-])c3nonc23)nnc1-c1cc(Br)ccc1O 408604445 JFCJDBWEALKORJ-UHFFFAOYSA-N 463.273 4.029 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408688888 XATLHNUNSDUVFQ-RTBURBONSA-N 453.882 4.147 5 40 JIBB O=C(COc1ccc2c3ccnc4c5ccccc5c(=O)n(c2c1)c34)NC[C@@H]1CCCN2CCCC[C@H]12 604404430 NIUSSFYZGBPDOI-UQBPGWFLSA-N 494.595 4.351 5 40 JIBB biogenic CCc1ccc(OCC(=O)NC(=S)Nc2ccc(Cl)c([N+](=O)[O-])c2)c(Br)c1 9833709 JVSNXJPFICPKCQ-UHFFFAOYSA-N 472.748 4.465 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1cccc(Cl)c1 101161921 APOQXIDSVRXKCA-FAJYDZGRSA-N 492.963 4.185 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@H]1CCC 102781527 YAWCTUFQIZDGAG-PXDATVDWSA-N 482.512 4.335 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 248121603 FHSJOLPRYSEWQK-NGSHPTGOSA-N 457.486 4.089 5 40 JIBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccccc1F 408558572 RZNCUPHSOGIBCY-UHFFFAOYSA-N 473.482 4.494 5 40 JIBB COc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)c([N+](=O)[O-])c1 409151219 AOMRQLQLCWVJKW-UHFFFAOYSA-N 470.507 4.219 5 40 JIBB COc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 6142082 RYYJZPGSLDMPCQ-UHFFFAOYSA-N 451.464 4.091 5 40 JIBB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CN(C)c1cc(Cl)c(C(F)(F)F)cc1[N+](=O)[O-] 10810147 SJZADTWUDPCBMW-LLVKDONJSA-N 470.835 4.467 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 15971058 HBGGKGURYXIKLC-ZHRMCQFGSA-N 462.893 4.019 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19820303 MMHSJBJPLIXQNE-DHIUTWEWSA-N 470.485 4.260 5 40 JIBB COc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)/C=C/c1ccccc1 32810323 LMTFLXPCQVFNRR-CCEZHUSRSA-N 481.530 4.358 5 40 JIBB CC(C)c1ccc(-c2nn3c([C@@H]4[C@@H](C(=O)O)[C@H]5C=C[C@H]4C5)nc4ccccc4c3nc2=O)cc1 101026591 SYOBCLVMHFSHPJ-GPHNJDIKSA-N 452.514 4.418 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1cc2ccccc2o1 107615408 QBVDGZFCTRZESG-UHFFFAOYSA-N 493.589 4.168 5 40 JIBB CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)cc1 408618228 CSNOOFRMSYUWLJ-MSSGHMPVSA-N 482.492 4.037 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Oc1ccccc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 409192909 FYCYLOIPMYATBK-KOTFUQRNSA-N 485.408 4.466 5 40 JIBB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3322550 KLKKFPVJANJVKH-UHFFFAOYSA-N 466.450 4.444 5 40 JIBB aggregator COc1cc(/C=C/C(=O)Nc2nnc(SCc3ccc([N+](=O)[O-])cc3)s2)cc(OC)c1OC 9391018 MNIZRBYOTBWHFC-RMKNXTFCSA-N 488.547 4.416 5 40 JIBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N(CC)CC 9509965 NBUUKJJFGYLATD-UHFFFAOYSA-N 486.569 4.327 5 40 JIBB CCCOc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16678247 SVKZKGREDAVIHY-UHFFFAOYSA-N 496.511 4.239 5 40 JIBB Cc1ccc([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1 22314121 HWWRZNVACZLGJY-LJQANCHMSA-N 467.547 4.284 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 139031162 NEUYRGUWXYPJLC-MJGOQNOKSA-N 453.882 4.147 5 40 JIBB CC[C@@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223363321 NTLJHEQUGIFUNX-JTSKRJEESA-N 491.610 4.457 5 40 JIBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(OC)c1OC 408571016 MTSNTMHEYKIKCA-HXUWFJFHSA-N 458.540 4.328 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 409367866 MUFCBTAGHALVTH-ZOVQAKDCSA-N 454.482 4.260 5 40 JIBB COc1ccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 874050 QZXBSIPHLQRXDX-INIZCTEOSA-N 467.551 4.344 5 40 JIBB CCCCn1c(=O)[nH]c(=O)c2c1nc(-c1ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o1)n2CC 12537764 FGYHOTZOKPAGQV-UHFFFAOYSA-N 457.874 4.195 5 40 JIBB C[C@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2)C12CC3CC(CC(C3)C1)C2 102846244 TWFZCPMDEYULGJ-SUWHCYKPSA-N 453.587 4.203 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223207420 AFDAYVFVKDNXSN-HOTGVXAUSA-N 476.371 4.232 5 40 JIBB Cc1c(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 10128795 VPLZTVXOWNLJOB-FQEVSTJZSA-N 473.938 4.085 5 40 JIBB COc1cc(C(=O)N2CCN(CC(F)(F)F)CC2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 24528267 GFCAYYNOCGOBGU-UHFFFAOYSA-N 473.835 4.369 5 40 JIBB Cc1cc(Br)cc(Br)c1OCC(=O)N1CCN=Cc2cc([N+](=O)[O-])ccc21 73642522 BYUSGUJFNFNEDN-UHFFFAOYSA-N 497.143 4.273 5 40 JIBB CC(=O)c1cc(OC(=O)c2ccccc2[N+](=O)[O-])ccc1OC(=O)c1ccccc1[N+](=O)[O-] 6074076 KVHBYEDFNYMJSQ-UHFFFAOYSA-N 450.359 4.144 5 40 JIBB O=C(c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 8898598 UJJAHSMGRYPSTI-UHFFFAOYSA-N 484.425 4.243 5 40 JIBB COCc1c(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)oc2ccccc12 9664859 QYBIYRAMURQSRP-UHFFFAOYSA-N 452.341 4.302 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20517510 TYKZRTWFFHHUAD-DUOVIKOCSA-N 471.538 4.414 5 40 JIBB CC[C@H](C)N(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257445 MSYWEBHMRGBVDX-INIZCTEOSA-N 454.483 4.168 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 223549380 KIRZYTLLDYVIMH-XZOQPEGZSA-N 456.531 4.348 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 409056558 RXZVXBOOQDUCBW-NRFANRHFSA-N 496.593 4.373 5 40 JIBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 409199296 BHOZAQBVSOWBHB-RGVLZGJSSA-N 470.503 4.409 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]21 408684170 MXPRINRBXGRWNC-LIVBEALHSA-N 453.882 4.003 5 40 JIBB CN1C(=O)S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(I)c2)C1=O 408810241 IMPNIKWHMFSJKN-SXGWCWSVSA-N 496.282 4.445 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1-c1cc(Br)ccc1O 409411735 KSOKGDGDVQACKF-UHFFFAOYSA-N 492.355 4.381 5 40 JIBB CC(C)c1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1 1359961 NNVCWJOUSRXLMS-SFHVURJKSA-N 456.524 4.337 5 40 JIBB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1O 6177107 WJQCZBRFTIWAHE-UHFFFAOYSA-N 477.502 4.288 5 40 JIBB Cc1c(C(=O)NCCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cccc1[N+](=O)[O-] 9355903 BLHGKAJHCZQGFG-UHFFFAOYSA-N 454.486 4.278 5 40 JIBB O=C(CSc1nnc(NC(=O)c2ccccc2[N+](=O)[O-])s1)Nc1ccc(OC(F)(F)F)cc1 9599927 XHNZAOXMNIFAEI-UHFFFAOYSA-N 499.452 4.328 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2ccccc2)cc1 12461791 OEKYTTBMFNWSGU-UHFFFAOYSA-N 453.520 4.041 5 40 JIBB C[C@@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C12CC3CC(CC(C3)C1)C2 12623325 JURGRRDRSIALTM-ASXFNGKXSA-N 455.555 4.073 5 40 JIBB Cc1nc(-c2ccc([C@H](C)Nc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCOCC3)cc2)cs1 12797955 WINGFXAWHPCRFN-HNNXBMFYSA-N 488.591 4.221 5 40 JIBB CCOc1cc(C(=O)OCC(=O)N2CCCc3cc([N+](=O)[O-])ccc32)ccc1OCC(C)C 15554596 HTDDIQQDCHVJQW-UHFFFAOYSA-N 456.495 4.165 5 40 JIBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3nsnc3c2)c1 19076851 DFDMDXGMIIPXIG-UHFFFAOYSA-N 479.503 4.087 5 40 JIBB COc1cc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1N1C(=O)c2ccccc2C1=O 22532651 MCVDGQHZKVLJTM-UHFFFAOYSA-N 451.822 4.310 5 40 JIBB CCN(Cc1cccs1)C(=O)Cc1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 32722439 SKNUOZIQZHZBMQ-UHFFFAOYSA-N 459.549 4.048 5 40 JIBB O=C(CN(C(=O)c1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 408652978 PJENHRKUIXLSAS-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C1=O 409018625 XJUJUQFXZASVBF-HXJASHHUSA-N 486.502 4.170 5 40 JIBB Cn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccc(NC(=O)c2ccccc2)cc1 8445727 MZKMBTSBJBJFQK-UHFFFAOYSA-N 488.529 4.373 5 40 JIBB Cc1cc2oc(=O)cc(COc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])c2cc1Cl 9053268 ANCZQGFMNXSDLQ-UHFFFAOYSA-N 478.910 4.027 5 40 JIBB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9060680 JPZIXGNRUQUWKY-UHFFFAOYSA-N 460.446 4.198 5 40 JIBB Cc1c(NS(=O)(=O)c2ccc(NC3CCCCCC3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9714015 ZBKHJCYEKQRAKS-UHFFFAOYSA-N 499.593 4.328 5 40 JIBB CC1CCN(c2ccc(C(=O)Nc3cccc(-c4nn5cnnc5s4)c3)cc2[N+](=O)[O-])CC1 20529058 UTJKKHHFUGYJQN-UHFFFAOYSA-N 463.523 4.250 5 40 JIBB O=C(CSc1nnc(COc2ccccc2)o1)c1cc([N+](=O)[O-])ccc1Br 20847244 XGBXFXIGGJEYNV-UHFFFAOYSA-N 450.270 4.294 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 102762137 IKRQVWJBYZXCQS-HKBOAZHASA-N 467.840 4.438 5 40 JIBB O=C(O)/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634585 RYOXOSBOTOAXPL-PDGQHHTCSA-N 487.925 4.088 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392642 SLOYLFXXEHXJPF-ZDUSSCGKSA-N 472.350 4.249 5 40 JIBB Nn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccccc1Cl 8646786 ZJGSACKWOLIRHE-UHFFFAOYSA-N 487.954 4.075 5 40 JIBB CC(C)OCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792299 SHPVBBZRZIRMKU-QGZVFWFLSA-N 457.530 4.291 5 40 JIBB biogenic O=C(NC(=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8835427 HIMDKZUESHWCQT-UHFFFAOYSA-N 498.546 4.354 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 9108555 YKPVISPEXRXLGY-ZJSPYRCASA-N 470.529 4.146 5 40 JIBB Cc1ccc(C(=O)Nc2nnc(SCC(=O)N3CCCc4ccccc43)s2)cc1[N+](=O)[O-] 9369135 KMTYDMZVJYSNGD-UHFFFAOYSA-N 469.548 4.079 5 40 JIBB O=C(COC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1)c1cc2c3c(c1)CC(=O)N3CCC2 13016975 UYEYQVGQERTHMW-UHFFFAOYSA-N 480.860 4.383 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384648 UCFSAQYZGFCWBJ-UHFFFAOYSA-N 458.780 4.138 5 40 JIBB O=C(C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 17083424 VWCWVBBTGWLLPT-XMMPIXPASA-N 495.329 4.407 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCC(CN2C(=O)c3cccc4cccc(c34)C2=O)CC1 33533757 APGNDIJUUUVJOY-ZHACJKMWSA-N 469.497 4.296 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)c1ccc2ccccc2c1 101176658 XSZGCACDLDWQBM-ZXPTYKNPSA-N 494.551 4.376 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2cccc(Cl)c2)cc1 137749392 NOQUKQIKMYVDPC-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223088959 HIBRNLCWPGBILW-SJORKVTESA-N 461.559 4.299 5 40 JIBB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1cc(OC)ccc12 2094375 FETJSBWFVIXOCM-HSZRJFAPSA-N 495.553 4.316 5 40 JIBB biogenic COc1ccc(C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1 9076029 YKPVISPEXRXLGY-XDZVQPMWSA-N 470.529 4.146 5 40 JIBB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NS(=O)(=O)Cc2cccc([N+](=O)[O-])c2)cc1 20110234 VQJZLZHTOUCQSF-UHFFFAOYSA-N 495.966 4.299 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851906 MRLJKSAARPAOIB-KWNHSTDBSA-N 471.538 4.414 5 40 JIBB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccc([N+](=O)[O-])cc1 13893231 JXBRQPWCQKUQCJ-RCCKNPSSSA-N 460.442 4.406 5 40 JIBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224785113 OVKTYXYQYSGUGW-UHFFFAOYSA-N 483.546 4.293 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408678817 DHTABAKJHYSFMW-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB COc1ccc(CCn2c(-c3cccc([N+](=O)[O-])c3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2339872 PYOGCUUXTLPEIK-UHFFFAOYSA-N 482.496 4.075 5 40 JIBB Cc1cc(C(=O)COC(=O)/C=C/c2cccc([N+](=O)[O-])c2)c(C)n1C[C@H]1COc2ccccc2O1 2635243 FXADHXAIOOVXGK-ZJVMWOEPSA-N 476.485 4.292 5 40 JIBB CC(C)(C)NC(=O)[C@@H]1Cc2ccccc2CN1c1c([N+](=O)[O-])cc(C(F)(F)F)cc1[N+](=O)[O-] 8857145 RITBOECONUCGIO-KRWDZBQOSA-N 466.416 4.368 5 40 JIBB COc1ccc(OCC(=O)c2cc(C)n(C[C@@H]3COc4ccccc4O3)c2C)c([N+](=O)[O-])c1 9124818 FALZDQKHIZNIER-GOSISDBHSA-N 452.463 4.123 5 40 JIBB O=C(NC(=S)Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274734 RJOMBDDFJLDLMJ-UHFFFAOYSA-N 479.518 4.167 5 40 JIBB CCOc1cc(/C=C2/N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)Cc1ccccc1 408837856 ADFRJUNSZYXEGM-KGENOOAVSA-N 472.453 4.486 5 40 JIBB COc1ccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 651491 FQHUNJGVGUZLGJ-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB O=C(CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2)c1cccc([N+](=O)[O-])c1 3290034 POHRHOWOKSUVDG-UHFFFAOYSA-N 475.530 4.143 5 40 JIBB CN(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 3518379 DFUAWOUPTFOSLY-UHFFFAOYSA-N 471.918 4.207 5 40 JIBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 8922463 UIYMRJUXORNEIF-SANMLTNESA-N 460.486 4.043 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10331389 AZKLGAQDXIHUSH-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14278615 VDIFESQXEQRFGM-UHFFFAOYSA-N 478.896 4.071 5 40 JIBB Cc1ccc(NC(=O)[C@H](OC(=O)CCc2nc(C(C)(C)C)no2)c2ccccc2)c([N+](=O)[O-])c1 32922194 ZAYLNTBZEYKDPJ-OAQYLSRUSA-N 466.494 4.440 5 40 JIBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 57333732 MJWOZSSYXBJEID-UHFFFAOYSA-N 475.910 4.338 5 40 JIBB Cc1cccn2c(=O)c3cc(C(=O)NCCc4ccccc4)c(=N)n(Cc4ccccc4Cl)c3nc12 101127214 LTIJTTHZCURIHW-UHFFFAOYSA-N 497.986 4.111 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccccc1Cl 408572612 RLYFWQJENXDLPS-UWSFRGMNSA-N 463.921 4.487 5 40 JIBB COc1ccc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1 408674865 KYCKKTRMRSELLJ-UHFFFAOYSA-N 480.296 4.303 5 40 JIBB O=C1OC(c2cccc(Br)c2)=N/C1=C/c1ccc(Br)c([N+](=O)[O-])c1 994330 RQUOBWHFZLISST-AWNIVKPZSA-N 452.058 4.464 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1F 1845378 GGOZMXAYBIGQCY-JYFHCDHNSA-N 484.487 4.100 5 40 JIBB biogenic CC(C)CNc1ccc(S(=O)(=O)c2ccc(NCC(C)C)c([N+](=O)[O-])c2)cc1[N+](=O)[O-] 5011551 OYQQUNLJWWZIDA-UHFFFAOYSA-N 450.517 4.472 5 40 JIBB Cc1cnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccccc2)s1 6444286 HPZXMLASYLDXRA-UHFFFAOYSA-N 452.521 4.338 5 40 JIBB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1 17244918 YVLYUVJBNWQWOI-OKILXGFUSA-N 474.564 4.123 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc(F)c1 101176837 DMQBLJAWOFIWIU-KRUMMXJUSA-N 488.519 4.211 5 40 JIBB O=C(/N=c1\cc(-c2ccccc2)n(-c2cccnc2)c([N+](=O)[O-])c1)Nc1ccc([N+](=O)[O-])cc1 102945964 MGSHVGUMYZBEQH-NLRVBDNBSA-N 456.418 4.489 5 40 JIBB O=C(OCc1ccc([N+](=O)[O-])cc1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)/C=C/c1ccccc1 9425365 GVXLPNNDALWLSY-ZXYASIKESA-N 478.526 4.066 5 40 JIBB CCOc1ccc([C@H](c2nnnn2C2CCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13503892 SVAIRWKVGVCZRV-XMMPIXPASA-N 477.569 4.007 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@]12C(=O)Nc1ccccc12 17112510 DNHIPCVCHGGQRF-WWZJJOFDSA-N 497.507 4.232 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1 409023501 FRBOKYGDSXSTOW-UDWIEESQSA-N 460.446 4.003 5 40 JIBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)C(C)C)c1 409059003 NXVRFWZDYHQQGN-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB COc1ccc(O[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 2740481 VNZOFMKJRVGSMJ-PKTZIBPZSA-N 450.447 4.156 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)Nc2ccc(CN3CCOCC3)cc2)cc1 25244023 DDMXCUZOBWZONT-UHFFFAOYSA-N 477.517 4.120 5 40 JIBB COC(=O)c1c(C(=O)OC)c(-c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)n2c1CCC2 32915583 JVASEKMMRMQQAB-MDWZMJQESA-N 489.484 4.235 5 40 JIBB O=C(c1cc(Br)cc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 59462404 HXXLWDPRJUESSR-UHFFFAOYSA-N 469.133 4.082 5 40 JIBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1Cl 2252735 CFQUZLQICBIXGK-INIZCTEOSA-N 475.936 4.433 5 40 JIBB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccc([N+](=O)[O-])o1 9141600 QZVZHQJWNKZTSG-UHFFFAOYSA-N 455.370 4.260 5 40 JIBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCc1nnc(-c2cc3c(s2)CCCC3)o1 9464666 ULEVIHZFGQNRRJ-AATRIKPKSA-N 455.448 4.070 5 40 JIBB CN(C1CCCC1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 10220612 FDOOBINGQIEMKR-UHFFFAOYSA-N 460.537 4.020 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)n1C 13401554 FDAPNIFBCXBERF-UHFFFAOYSA-N 463.519 4.495 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1Cc1ccccc1 18007842 LYZIFPAOTGDOBL-FKBYEOEOSA-N 463.877 4.295 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)c(C)c1 408921066 CJKCCCNXJIXQIH-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2C=Cc3ccccc3N21 8995719 ZVFYALXCWYEDMJ-KIHHCIJBSA-N 483.455 4.007 5 40 JIBB O=C(c1ccccc1)C1CCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])CC1 9118408 CKRVFRHVLCCBNX-UHFFFAOYSA-N 471.579 4.259 5 40 JIBB O=[N+]([O-])c1cnn(C23C[C@H]4C[C@H](CC(Cc5nn6c(-c7ccco7)nnc6s5)(C4)C2)C3)c1 20606309 NJBMIZPIOARONL-ZXPDZVFASA-N 451.512 4.089 5 40 JIBB COc1ccccc1N1CCN(c2cc(OCc3ccccc3)c([N+](=O)[O-])cc2[N+](=O)[O-])CC1 59417657 LQJHTCWBVWWDEE-UHFFFAOYSA-N 464.478 4.417 5 40 JIBB COc1ccc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)cc1NC(=O)CSCc1ccco1 215693873 MIQNBBFEWKNILP-UHFFFAOYSA-N 484.486 4.108 5 40 JIBB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222803820 HDKJTBLHEGRIMS-QFIPXVFZSA-N 473.595 4.169 5 40 JIBB Cc1ccccc1CN(c1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(C)(=O)=O 9601223 IHWRBHDMOYLHOG-UHFFFAOYSA-N 453.520 4.430 5 40 JIBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cc2nnc(-c3ccc(Br)s3)o2)CC1 15446887 RGQORWBUBDNJCG-UHFFFAOYSA-N 484.763 4.444 5 40 JIBB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccccc1[N+](=O)[O-] 35263465 UBRXSPJVVVVSOR-UHFFFAOYSA-N 480.889 4.176 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O 205785003 YLPIPDQBSCBIOJ-LZYBPNLTSA-N 450.856 4.496 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1C 409147939 WXKMHBREVMWVIN-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB O=C(COc1ccc([S@@](=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(F)(F)F)c1 8741816 SCJSPFWMWOSZIY-PMERELPUSA-N 456.320 4.259 5 40 JIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)nc12 9087011 QNLATSIGOUALIO-UHFFFAOYSA-N 457.468 4.364 5 40 JIBB O=C(Nc1ncc(Cl)cc1Cl)c1cccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2)c1 9335487 XGXRULXCCPHMKI-UHFFFAOYSA-N 467.290 4.350 5 40 JIBB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)cc2)CC1=O 10461928 FWHZHXTWRYRSPM-HNNXBMFYSA-N 458.902 4.088 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 13574997 QXVCJGFWEFGSJI-UHFFFAOYSA-N 479.436 4.448 5 40 JIBB COc1cc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)ccc1OCC(N)=O 95480156 FNUAVOPEHQYKQD-UHFFFAOYSA-N 488.500 4.397 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccc(Cl)cc1 101835890 SSSKMKZYSMKORX-SLMZUGIISA-N 478.936 4.110 5 40 JIBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 408659582 VYZRSQVAJRRNSW-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C[C@@H]4CCCO4)c(C)nc32)cc1OC 2245650 FFRJHYYILCXFOT-IBGZPJMESA-N 499.571 4.042 5 40 JIBB COc1ccc(O[C@@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccc(OC)c(OC)c2)cc1 2740483 VNZOFMKJRVGSMJ-GOTSBHOMSA-N 450.447 4.156 5 40 JIBB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9120491 VQUZKXIWSCABAA-UHFFFAOYSA-N 470.488 4.100 5 40 JIBB O=C(NCc1cccc(CNC(=O)Nc2ccc([N+](=O)[O-])cc2)c1)Nc1ccc([N+](=O)[O-])cc1 9136832 PFINWXHDOUSUCP-UHFFFAOYSA-N 464.438 4.146 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccc(OCc2ccccc2)cc1 9669130 QRMGZUIJYAUFOB-UHFFFAOYSA-N 476.558 4.011 5 40 JIBB O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1C[C@H](O)COc1ccc(-c2ccccc2)cc1 13018948 LSFYESYOZIXFRY-QFIPXVFZSA-N 486.528 4.012 5 40 JIBB COc1ccc(CCn2c(SCc3ccc([N+](=O)[O-])cc3)nc3ncccc3c2=O)cc1OC 20356194 AXGSGHCJLVRELJ-UHFFFAOYSA-N 478.530 4.252 5 40 JIBB CN(C)c1cc(C(=O)O[C@H](C(=O)Nc2ccc([N+](=O)[O-])cc2Cl)c2ccccc2)ccn1 32928617 HKZMEZUEKVSDQM-FQEVSTJZSA-N 454.870 4.246 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1Br 59503334 PMASRYMKSDIVKC-ISQHLFTMSA-N 475.298 4.234 5 40 JIBB COc1cc(/C=C\C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC(F)F 96931994 VONFVVRYRLNAOG-WRLNGNIRSA-N 476.432 4.353 5 40 JIBB CC[C@@H](C(=O)N[C@H]1CC(CC)(CC)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260740982 CHSIFAJCIWPABX-SFTDATJTSA-N 489.594 4.338 5 40 JIBB O=C(O)/C(=C/c1cc([N+](=O)[O-])ccc1N1CCOCC1)Sc1nnc(-c2ccc(Cl)cc2)o1 408631750 BNTPDZIIQXDEAP-PDGQHHTCSA-N 488.909 4.353 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(I)cc2CC)cc1[N+](=O)[O-] 1848705 RDYPMURWMHPXPH-UHFFFAOYSA-N 499.330 4.287 5 40 JIBB CC(C)C(=O)Nc1sc2c(c1C(=O)OCc1nnc(-c3ccc([N+](=O)[O-])cc3)o1)CCC2 9508207 FPSSCXWPNHFQQD-UHFFFAOYSA-N 456.480 4.147 5 40 JIBB CCOC(=O)c1sc(-c2cccc([N+](=O)[O-])c2)cc1NC(=O)c1nn(CC)c(=O)c2ccccc12 9949758 YARVZVAYAZYUFG-UHFFFAOYSA-N 492.513 4.482 5 40 JIBB CNc1ccc(C(=O)c2ccccc2C(=O)N2CCN(c3cccc(C)c3)CC2)cc1[N+](=O)[O-] 12639684 PRKDGOXBGGVOJY-UHFFFAOYSA-N 458.518 4.138 5 40 JIBB COc1ccccc1[C@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13503780 IPJDIMKCKHEWJY-XMMPIXPASA-N 477.569 4.007 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 19820309 MMHSJBJPLIXQNE-GOTSBHOMSA-N 470.485 4.260 5 40 JIBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(C)CCCc2cc(-c3cccc(F)c3)n(C)n2)c1C 40158360 MVERHENCSAADOM-UHFFFAOYSA-N 460.531 4.005 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1cc(C)cc(C)c1 101084584 FMUORMVZFVPOPG-OLFWJLLRSA-N 472.545 4.073 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225349591 RLNQLRZWBCJNGA-ROUUACIJSA-N 473.595 4.169 5 40 JIBB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225694855 JDGVNGGDCZAJCP-MRXNPFEDSA-N 476.371 4.089 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)c1cccc([N+](=O)[O-])c1 408907488 PDQQMUJOCRFBIQ-UHFFFAOYSA-N 476.308 4.410 5 40 JIBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)C2=O)CC1 409359200 WRRBFTUZXDKFPP-XDHOZWIPSA-N 455.492 4.150 5 40 JIBB CCOC(=O)c1c(N)n(-c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)c2nc3ccccc3nc12 2364494 IPXFRJFBMJJKLV-UHFFFAOYSA-N 496.483 4.493 5 40 JIBB CCOC(=O)CN(C(=O)CSc1ncnc2sc3c(c12)CCCC3)c1cccc([N+](=O)[O-])c1 6546387 YEZXULZNOHFLAU-UHFFFAOYSA-N 486.575 4.167 5 40 JIBB Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@@H](C)C3)c2)cccc1[N+](=O)[O-] 15790918 ZDLWEJNHBYUMMN-CYBMUJFWSA-N 451.932 4.230 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1 18068397 XFTLROUOYLTKNN-FSSWDIPSSA-N 497.866 4.447 5 40 JIBB CC[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 22314142 MEKPOFOHBZHDHZ-HSZRJFAPSA-N 483.546 4.066 5 40 JIBB COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)Nc2ccc(OCC(=O)N(C)C)cc2)cc1 24625854 GIPMCIFDAAJYSO-UHFFFAOYSA-N 465.462 4.115 5 40 JIBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)Nc3ccc(Oc4ccccc4)cc3)CC2=O)cc1[N+](=O)[O-] 408669864 PCSDQPMBYDMQOY-GOSISDBHSA-N 489.484 4.230 5 40 JIBB COc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)c(C)cc1NC(=O)c1cccc([N+](=O)[O-])c1 3219065 DTRDNAXMRUCQHV-UHFFFAOYSA-N 450.407 4.325 5 40 JIBB CCOC(=O)[C@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N21 9045577 IUNUTYSLFQQAGK-WJNCPCKPSA-N 497.507 4.009 5 40 JIBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@@H]3[C@H]2[N+](=O)[O-])cc1OC 9271987 GGDLLVHIXFVNHN-NDBXHCKUSA-N 457.486 4.089 5 40 JIBB O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCCCC4)nn3)cc2)cc1 9714632 DSMWEGQCOFFMLB-UHFFFAOYSA-N 453.524 4.233 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)Cn1cnc2scc(-c3ccc(C)s3)c2c1=O 13115588 JBJSQUJOLIXNKG-UHFFFAOYSA-N 456.505 4.050 5 40 JIBB Cc1c(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cccc1[N+](=O)[O-] 33634109 RWOPGGFFURXGCZ-UHFFFAOYSA-N 450.447 4.138 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 43710832 HTFGQORUFSEBGG-NDBXHCKUSA-N 495.491 4.002 5 40 JIBB COc1cc([C@H]2C=C(c3ccccc3OC)Nc3nc(C(F)(F)F)nn32)c([N+](=O)[O-])cc1OC 103419131 UOWSMVQEUITOTL-CQSZACIVSA-N 477.399 4.287 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 409356021 GBVMRBBPCLBYHI-FYJGNVAPSA-N 476.514 4.428 5 40 JIBB COc1ccc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 2128314 VSDSCYSDKWBBBW-UHFFFAOYSA-N 484.508 4.438 5 40 JIBB biogenic O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1csc(-c2ccc(F)cc2)n1 9963765 CGTJGPPAGJPBMU-UHFFFAOYSA-N 463.512 4.221 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 14831616 YIHDCUTVNMPGQF-FZSIALSZSA-N 467.503 4.446 5 40 JIBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)cc1OCC(N)=O 95478185 SZEADBUBSMVKFY-UHFFFAOYSA-N 488.500 4.397 5 40 JIBB Cc1cc(C)c([N+](=O)[O-])cc1-c1ccc(/C=c2\sc3nc4cc(Br)cnc4n3c2=O)o1 408720689 CGXLEXJROOHNCY-WSVATBPTSA-N 497.330 4.399 5 40 JIBB O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Cl)cc1Cl 3332473 RCLGTEAGEPYCBE-CXUHLZMHSA-N 466.302 4.368 5 40 JIBB COc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c([N+](=O)[O-])c1 6924658 MRYFHYLWWGDEGL-UHFFFAOYSA-N 454.386 4.403 5 40 JIBB O=C(CSc1nnc(NC(=O)c2ccc([N+](=O)[O-])cc2)s1)Nc1ccccc1C(F)(F)F 8791109 YXCSDLROZSTHKV-UHFFFAOYSA-N 483.453 4.448 5 40 JIBB COC(=O)c1ccccc1NC(=O)CSc1nc2cc([N+](=O)[O-])ccc2n1-c1ccccc1OC 12311400 VVTPYOVCBFDZOP-UHFFFAOYSA-N 492.513 4.460 5 40 JIBB COCCN(Cc1ccco1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 25094645 XMGHTXHBRFZLSO-UHFFFAOYSA-N 455.433 4.098 5 40 JIBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43732558 OVMSANJRRUYAHX-JLGINSKQSA-N 462.893 4.019 5 40 JIBB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)n1C 409359359 OAXQHDNFTYYNFJ-UHFFFAOYSA-N 471.539 4.049 5 40 JIBB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1OCC 12528067 LLEZRLDLACTZPM-UHFFFAOYSA-N 484.553 4.093 5 40 JIBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 12860984 NJIJZHRLXRHLHE-UHFFFAOYSA-N 480.546 4.464 5 40 JIBB COc1cc(OC)cc(-c2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)c1 20847241 XVTJKUVTOFTEQG-UHFFFAOYSA-N 480.296 4.400 5 40 JIBB CN1C[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 36382171 RROBHOHCAMWQME-ATANMQQVSA-N 489.915 4.387 5 40 JIBB O=[N+]([O-])c1cnn(C23C[C@@H]4C[C@H](CC(Cc5nn6c(-c7ccco7)nnc6s5)(C4)C2)C3)c1 103160044 NJBMIZPIOARONL-RKOMNEFPSA-N 451.512 4.089 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408689490 YHIAWOUJFQDALC-HDICACEKSA-N 474.300 4.410 5 40 JIBB O=[N+]([O-])c1cc2nc(Nc3ccc(Br)cc3)c(N3CCCCC3)nc2cc1[N+](=O)[O-] 408722789 XCVDGOYKLARFBM-UHFFFAOYSA-N 473.287 4.943 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)c1 409097316 MESNNRRYSDMNLT-YBFXNURJSA-N 480.864 4.348 5 40 JIBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=S)NC(C)(C)C)CC2 2718175 MDWKMHJGZVICHF-IBGZPJMESA-N 459.568 4.263 5 40 JIBB CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 8974853 WVFGNIMBQFZYTP-PAHOUZJPSA-N 479.492 4.157 5 40 JIBB biogenic Cc1cccc(C(=O)Nc2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)c1[N+](=O)[O-] 11325421 PLTRKONXNVSWTJ-UHFFFAOYSA-N 483.502 4.118 5 40 JIBB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c(OC)c1OC 12982236 USLVGANBWOMMPH-ZDUSSCGKSA-N 457.508 4.250 5 40 JIBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)N(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)c1 15980375 ICWWRTMTOBKOOR-UHFFFAOYSA-N 487.342 4.486 5 40 JIBB CCCSc1nnc2c3sc4nc(N5CCOCC5)c5c(c4c3ncn12)CC(C)(C)OC5 20057292 KRIHGEGPSLDINC-UHFFFAOYSA-N 470.624 4.077 5 40 JIBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22566845 BCIWVRSSWSKKEJ-UHFFFAOYSA-N 459.462 4.195 5 40 JIBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 40017283 JLNKUFZDSXLRRI-UHFFFAOYSA-N 472.910 4.172 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101170902 SRFLYBHGNCKTDT-FAJYDZGRSA-N 492.963 4.411 5 40 JIBB CCCCn1/c(=N\C(=O)c2ccccc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176575 LVGDDAHZNRAXNB-SLMZUGIISA-N 478.936 4.021 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)C(=O)OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409074917 OHJMDLKMWXACCB-PVGUKEHMSA-N 486.502 4.170 5 40 JIBB COc1ccc(NC(=S)N[C@@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 3158352 MAXYDUPURPMMBM-MRXNPFEDSA-N 491.784 4.325 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)c2ccc3c(c2)C[C@@H](C)N3S(C)(=O)=O)cc1 9244502 GXRFUSPGAWKUBW-MRXNPFEDSA-N 496.541 4.243 5 40 JIBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 22429759 ONMQNWXVXUMWRI-JOCHJYFZSA-N 453.520 4.058 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@@H]1c1ccc([N+](=O)[O-])cc1 33405872 CAHQPCBBYHCAHB-OOKCMDACSA-N 478.461 4.491 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@H](c4nc(C)no4)C3)c([N+](=O)[O-])c2)c(C)c1 40156372 HYTXYCYIWZQGGF-KRWDZBQOSA-N 471.539 4.088 5 40 JIBB COc1ccc(NC(=O)CN2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1Cl 62722954 AKFHSSOQYVIOTN-UHFFFAOYSA-N 472.851 4.036 5 40 JIBB CCCn1/c(=N\C(=O)c2ccc3ccccc3c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176399 MWZWVACSMMUGBH-JVCXMKTPSA-N 480.524 4.130 5 40 JIBB COC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C 2703393 ZNROSZIGFFOGJD-KRWDZBQOSA-N 477.454 4.003 5 40 JIBB COc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3n2)cc1 3772114 ZJWBKPHNNXERCV-IZZDOVSWSA-N 488.529 4.172 5 40 JIBB CCOc1cc(C(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc(Br)c1OC 9393961 ZBOSNXBOLGHIEH-UHFFFAOYSA-N 478.255 4.172 5 40 JIBB CSCC[C@@H](NC(=O)c1cc([N+](=O)[O-])ccc1Cl)C(=O)NCCc1ccc(Cl)cc1 9632021 KDKSMUXYLSJUPG-GOSISDBHSA-N 470.378 4.112 5 40 JIBB Cn1cnnc1Sc1ccc(C(=O)OCc2cc(Cl)c3c(c2)OCCCO3)cc1[N+](=O)[O-] 13063654 ZFRUGWFOAMEMTQ-UHFFFAOYSA-N 476.898 4.046 5 40 JIBB O=C(Cc1ccccc1[N+](=O)[O-])Nc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1 409183731 UGWDEAXMOWYXTM-UHFFFAOYSA-N 490.335 4.339 5 40 JIBB Cc1ccc(C)c(Nc2c([N+](=O)[O-])cc(C(=O)N3CC(=O)Nc4ccccc43)cc2[N+](=O)[O-])c1 6196002 JCCZBWJDRBPVLZ-UHFFFAOYSA-N 461.434 4.462 5 40 JIBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2cccc(-c3ccc(N4CCCC4)nn3)c2)c1 9714629 GTXBNIVHPIJUIB-UHFFFAOYSA-N 459.915 4.106 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13678048 FMJRKENKGARBPD-CQSZACIVSA-N 472.350 4.082 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13678050 FMJRKENKGARBPD-AWEZNQCLSA-N 472.350 4.082 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1cccc(Cl)c1 32124724 AMYXPPVEJOYCOT-MFOYZWKCSA-N 493.950 4.008 5 40 JIBB O=C1c2cccc3c(NCCCO)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Br)cc1 95470794 QKVDQHXJPKJLSI-UHFFFAOYSA-N 470.279 4.105 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225609562 IWGIVAQKHOFFQL-OXJNMPFZSA-N 491.972 4.358 5 40 JIBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(C)c(C)c2)cc(OC)c1OC 408571015 MTSNTMHEYKIKCA-FQEVSTJZSA-N 458.540 4.328 5 40 JIBB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 11867496 DWPJFDVVKNWFGB-QFIPXVFZSA-N 465.527 4.307 5 40 JIBB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 12784720 CWURMNGEHYOGQR-CYBMUJFWSA-N 492.294 4.277 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36319057 QHZSRBHYUUQZRB-ZGXDEKTJSA-N 486.553 4.117 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225169647 UOXJSBZMZDMJSV-KRWDZBQOSA-N 461.559 4.301 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565180 INWFJGCTTGGURQ-NXDAVNMYSA-N 473.529 4.151 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)cc1C 408674981 ODORKOMOAYXBGL-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C1=O 409121955 ZLRJBLWTZOGPMT-YBFXNURJSA-N 456.476 4.162 5 40 JIBB CCc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 409181248 AFTVINUJGFSHEK-UHFFFAOYSA-N 453.472 4.030 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc2cc(Br)cc(Br)c2oc1=O 8425333 GUTDTYCPSZPMEP-UHFFFAOYSA-N 468.057 4.479 5 40 JIBB O=C(/C=C/c1ccc2ccccc2n1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 8826361 AVMDYCVNLBLHQB-KPKJPENVSA-N 466.500 4.084 5 40 JIBB Cc1ccccc1NC(=O)CSc1nnc2n3ncnc3c3c4c(sc3n12)CC[C@@H](C)C4 9346217 ZFHMZNGJKJRFCV-GFCCVEGCSA-N 463.592 4.151 5 40 JIBB Cc1c(C(=O)N(C)Cc2cc([N+](=O)[O-])ccc2Cl)sc2nc3n(c(=O)c12)CCCCC3 12756236 KGETTYGGNVKISP-UHFFFAOYSA-N 460.943 4.327 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1 18101928 MIZCSTOGSNAMQH-QHAWAJNXSA-N 467.840 4.438 5 40 JIBB CCCCOC(=O)c1ccc(NC(=O)C23C[C@H]4C[C@H](C2)CC(n2cnc([N+](=O)[O-])n2)(C4)C3)cc1 100862928 JXFBDLMRBPBWAB-WADIDORASA-N 467.526 4.077 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)C(C)(C)C)N1C=Cc3ccccc3[C@@H]21 248085761 FHPNSECRCBHIPP-LNRXMEIDSA-N 459.502 4.034 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4)c([N+](=O)[O-])c3)C2=O)c1 409107659 SVSCHSMXLWXFGP-FYJGNVAPSA-N 486.484 4.014 5 40 JIBB Cc1ccc(S(=O)(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409180598 XUAHVKJNJPEPQB-DEOSSOPVSA-N 467.499 4.234 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2C)cc1 409270844 RNRAEDRUKGWPIB-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(-c3ccc4c(c3)OCCO4)c2ncn1Cc1ccccc1 8834551 JYZXYOCUCLSTRL-UHFFFAOYSA-N 461.481 4.103 5 40 JIBB O=C(Nc1ccc2nc(N3CCOCC3)sc2c1)c1ccc(Br)c([N+](=O)[O-])c1 12913682 MERPVJHQNUNEEJ-UHFFFAOYSA-N 463.313 4.056 5 40 JIBB C[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12947832 LOAAFNPGWIKLAX-HZPDHXFCSA-N 484.944 4.004 5 40 JIBB CCOc1cc(/C=C2\SC(=S)N=C2O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 13942916 HQOMJSOOEYMNIH-GDNBJRDFSA-N 466.518 4.090 5 40 JIBB O=C(O)CC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc([N+](=O)[O-])cc1 35529391 AVFZOZWSEAFFGO-HSZRJFAPSA-N 489.484 4.305 5 40 JIBB COc1ccc(C(=O)COC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408646836 IWSNDCIKUPXWQQ-FQEVSTJZSA-N 474.469 4.049 5 40 JIBB Cc1ccc(C)c(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)c1 2720071 QVWHDJOZZGHSNJ-UHFFFAOYSA-N 468.560 4.137 5 40 JIBB O=C(N[C@H](OC[C@@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 9033499 DZCYACFALBXCCJ-JCKWVBRZSA-N 464.777 4.302 5 40 JIBB biogenic CCOc1ccc(S(=O)(=O)N(C)c2ccc(Oc3nc4ccccn4c3[N+](=O)[O-])cc2)cc1 32806270 AVUJKGZYEAEZKZ-UHFFFAOYSA-N 468.491 4.259 5 40 JIBB Cc1csc(Sc2ccc(C(=O)N3CCN(Cc4cccc([N+](=O)[O-])c4)CC3)cc2[N+](=O)[O-])n1 62581838 PSBCAOJUHVSKFT-UHFFFAOYSA-N 499.574 4.377 5 40 JIBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)ccc1[N+](=O)[O-] 8832610 ITGVNHUUSGGVPX-UHFFFAOYSA-N 468.897 4.364 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)c([N+](=O)[O-])c1 9632748 PDEAKDJXSLZPEP-UHFFFAOYSA-N 476.518 4.285 5 40 JIBB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 14277177 UZZOISMTWWTZTQ-UHFFFAOYSA-N 489.601 4.352 5 40 JIBB Cc1ccc(SCCC(=O)Nc2ncc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)s2)cc1 15391532 SYGWQJVNVYFZLG-UHFFFAOYSA-N 463.562 4.313 5 40 JIBB COC(=O)c1c(C)nc(C)c(C(=O)OCCN(C)Cc2ccccc2)c1-c1cccc([N+](=O)[O-])c1 22055545 GROZWIBBDLLXKU-UHFFFAOYSA-N 477.517 4.349 5 40 JIBB in-vitro C[C@H]1CCC[C@](O)(CNc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C1 65547922 VTSGIJSRJQPPTH-VBKZILBWSA-N 453.948 4.402 5 40 JIBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223329506 DEPHWWICOFVFKO-WTOYTKOKSA-N 450.520 4.401 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc([C@H](C)CC)cc3)CC2)c([N+](=O)[O-])c1 408572552 JVOHALSRZSXDDN-GOSISDBHSA-N 469.538 4.013 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 409141829 KIUHFWWUJLOKRT-NRFANRHFSA-N 496.593 4.373 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 9210344 WBNRSNDIXOEGFN-HBMCJLEFSA-N 494.301 4.408 5 40 JIBB COCCn1c(Sc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])nc2ccccc2c1=O 9317065 ZMQYMYRNDFTVRE-UHFFFAOYSA-N 461.499 4.333 5 40 JIBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nc4ccc(Cl)cc4n3CCO)cc2[N+](=O)[O-])C1 12546509 PGQYTHFQFXIIFJ-IYBDPMFKSA-N 486.956 4.430 5 40 JIBB Cc1cc(C(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2[N+](=O)[O-])c(C)n1Cc1ccccc1 13113200 DLCPHVKLYIYELK-UHFFFAOYSA-N 497.573 4.108 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 17200609 KMOYIMGCDRNFLR-UHFFFAOYSA-N 494.554 4.204 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 19820710 LAGCNVVLOOVMAM-ZEQRLZLVSA-N 484.512 4.303 5 40 JIBB O=C(/C=C/c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1 20528421 MWACXGROFNZQLV-KRXBUXKQSA-N 482.846 4.111 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccccc1 100820884 RQTBJTYMPHVKNI-OLFWJLLRSA-N 470.529 4.072 5 40 JIBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222543697 ICGLEJDYAMIVPM-XMMPIXPASA-N 495.576 4.353 5 40 JIBB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222901649 SWXXOBVSYMSVQB-QFIPXVFZSA-N 457.596 4.203 5 40 JIBB CCOC(=O)C(CCc1ccccc1[N+](=O)[O-])(CCc1ccccc1[N+](=O)[O-])C(=O)OCC 4403874 OXTFSMADTQOBPO-UHFFFAOYSA-N 458.467 4.181 5 40 JIBB Cn1c2ccccc2c(=O)c2c(=O)n(Cc3ccco3)c(CSc3nc4ccccc4[nH]3)nc21 6143811 DALCHBNAVLOKOD-UHFFFAOYSA-N 469.526 4.058 5 40 JIBB C[C@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9631493 YMZJKJIYIRTHGX-ZETCQYMHSA-N 451.151 4.153 5 40 JIBB C[C@H](Sc1nnc(-c2ccc(Br)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 12490358 ZHWQTMGNAJJAQY-NSHDSACASA-N 462.329 4.272 5 40 JIBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 13128332 JABLNFNIPVIFSP-UHFFFAOYSA-N 494.573 4.261 5 40 JIBB CC(=O)Nc1nc(-c2ccc(OCC(=O)Nc3ccccc3)cc2)nc2c1c(=O)oc1ccccc12 18196592 LWFYRIULQWYIKP-UHFFFAOYSA-N 480.480 4.379 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 100952678 ABHSKXFQMILWRZ-VXNXHJTFSA-N 473.485 4.435 5 40 JIBB Cc1c(Br)ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc([N+](=O)[O-])cc2)c1C 138798179 YUUQEFFGTQLKPQ-UHFFFAOYSA-N 492.326 4.265 5 40 JIBB CCOc1ccc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC 408566048 DQBZFRMHTIPXLA-NRFANRHFSA-N 458.540 4.492 5 40 JIBB Cc1cc([N+](=O)[O-])nn1[C@@H](C)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2730760 KQEQTBUJOYOSOJ-NSHDSACASA-N 462.898 4.341 5 40 JIBB Cc1ccc(C(=O)N[C@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 3137199 JAAPLYIWJIJFJT-OAHLLOKOSA-N 461.758 4.316 5 40 JIBB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3355482 WRHMWALMYGTCIS-IBGZPJMESA-N 462.886 4.003 5 40 JIBB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 9391303 DUROIRICWIGFOM-QHCPKHFHSA-N 478.501 4.439 5 40 JIBB COCCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)nc2ccccc21 9662712 SFCVQAYIICPJKA-UHFFFAOYSA-N 454.430 4.341 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nc(/C=C/c2cccs2)n[nH]1 12798103 DZLXQQUTUMKBLM-RMKNXTFCSA-N 477.593 4.271 5 40 JIBB CC(C)COc1ccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)cc1 14273788 GWQLZAOYBMEGRE-UHFFFAOYSA-N 476.986 4.120 5 40 JIBB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 20153058 HQKIHXQLISNNNJ-UHFFFAOYSA-N 492.941 4.072 5 40 JIBB Cc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1 23157660 NHEMWABKNCAYPE-LJQANCHMSA-N 484.969 4.278 5 40 JIBB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S[C@@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 24270203 IPCCXXNMHVZJRG-KBXCAEBGSA-N 469.519 4.124 5 40 JIBB Cc1cc(=O)c(C(=O)Nc2cccc(CSc3ccccn3)c2)nn1-c1ccccc1[N+](=O)[O-] 62581044 BTKYIASKYQHRFI-UHFFFAOYSA-N 473.514 4.389 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccc(Cl)cc1 408563993 BWTWINCXQPKNCA-JSAFGSNCSA-N 463.921 4.487 5 40 JIBB Cc1ccc(Cn2nc(C)c(C(=O)OCc3cc([N+](=O)[O-])cc4c3OCOC4)c2Cl)cc1 9120495 QDFNGISGAJJIKT-UHFFFAOYSA-N 457.870 4.333 5 40 JIBB COc1c(F)c(F)c(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)c(F)c1F 14277378 PSHNMXSQPQKYEK-UHFFFAOYSA-N 496.461 4.113 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1Cc1ccccc1 18176485 PXLWIKFINSBTIF-FSSWDIPSSA-N 463.877 4.295 5 40 JIBB COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)c(OC)c1 19816952 SZCRIGBEINEYPE-HNNXBMFYSA-N 491.529 4.255 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224908280 XUZPGHUPDDFCIV-AWEZNQCLSA-N 498.363 4.233 5 40 JIBB Cc1ccccc1CSCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 409026246 JUMACKFMIZHYQR-UHFFFAOYSA-N 499.614 4.148 5 40 JIBB CCCC(=O)N(c1ccc2oc(C)c(C(=O)OCC)c2c1)S(=O)(=O)c1cccc([N+](=O)[O-])c1 4162258 IWPPEKIZDSGOBG-UHFFFAOYSA-N 474.491 4.348 5 40 JIBB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 6135600 OEAMIIXIOQCHQY-UHFFFAOYSA-N 454.556 4.474 5 40 JIBB COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2cccnc2)cc1 6177158 XHGCYYYAPFBZTD-HNNXBMFYSA-N 476.518 4.365 5 40 JIBB Cc1cccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)n2)c1 9355737 SYWJDGHRKNYTLJ-UHFFFAOYSA-N 456.524 4.477 5 40 JIBB COc1cccc(-n2cnnc2SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c1 9639866 YJFMKOBJKAFMSU-UHFFFAOYSA-N 468.520 4.038 5 40 JIBB O=C1C[C@H](c2cccc([N+](=O)[O-])c2)c2c(n3c4ccccc4nc3n(Cc3ccccc3F)c2=O)N1 12375599 MMJFKOZBIQIGRS-GOSISDBHSA-N 483.459 4.219 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccco1 12491776 MSZPDYRRPMFEHO-HNNXBMFYSA-N 464.507 4.317 5 40 JIBB C[C@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 23918617 XVNURMXNTNGQOF-QGZVFWFLSA-N 465.579 4.324 5 40 JIBB C[C@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2Cl)c1=N)c1ccccc1 101159015 AHBYJNHAYAQFCC-KRWDZBQOSA-N 483.959 4.321 5 40 JIBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OCC)c2)C1=O 205694309 YSTGDXZYGHLKGX-UDWIEESQSA-N 486.502 4.172 5 40 JIBB COc1ccc([C@H]2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 1633761 WLJPFGZFSLROGT-BQKWAYIGSA-N 475.526 4.492 5 40 JIBB Cn1c(=O)c2ccc3c4ccc5c(=O)n(-c6ccccc6)c(=O)c6ccc(c7ccc(c1=O)c2c37)c4c56 5706910 HQRZDZFPMKBOQI-UHFFFAOYSA-N 480.479 4.489 5 40 JIBB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c([N+](=O)[O-])c1 9666008 XNBKCKSVOIYPKR-UHFFFAOYSA-N 460.515 4.392 5 40 JIBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 12555728 BLPSAOXBPJEKJW-ZDUSSCGKSA-N 465.337 4.061 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 108050739 DCSWQNVQINODMV-UHFFFAOYSA-N 473.917 4.109 5 40 JIBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc(C(=O)OC)cc1 408605756 NCMVTMNHCIHEFD-WUXMJOGZSA-N 481.461 4.264 5 40 JIBB COc1cccc(C(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)c1 408682131 IYMDGRYKBVAGLS-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB COc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409371627 IVMHZWSANYVZOG-NFJKTXFASA-N 460.873 4.134 5 40 JIBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(-c4ccccc4OC)cnc32)cc1 2376838 NCNJCSIGSWNTCL-UHFFFAOYSA-N 463.497 4.349 5 40 JIBB Cn1cnnc1Sc1ccc(C(=O)OCc2csc(-c3ccccc3)n2)cc1[N+](=O)[O-] 2621074 AJEJLSVQPGLBOV-UHFFFAOYSA-N 453.505 4.355 5 40 JIBB O=C(COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)Nc1ccc(SC(F)F)cc1 9512200 KIMGRIBLPSEZOP-UHFFFAOYSA-N 451.451 4.305 5 40 JIBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 12555727 BLPSAOXBPJEKJW-CYBMUJFWSA-N 465.337 4.061 5 40 JIBB COc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 13856667 LSOOYYKPJGIZIY-GOSISDBHSA-N 490.468 4.175 5 40 JIBB CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2Cl)CC1 14279355 RWLDKFYMOLAWGQ-UHFFFAOYSA-N 485.972 4.159 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCSc3ccc(Cl)cc32)CC1 32802005 RHBYKNNNYFHUDJ-UHFFFAOYSA-N 496.010 4.096 5 40 JIBB CCN1CCC[C@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 35526408 CLVSVGQDKQQGML-PXNSSMCTSA-N 461.360 4.111 5 40 JIBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851566 WIYGUJNNCFACAI-HWXYTADMSA-N 477.567 4.475 5 40 JIBB O=c1/c(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)sc2nc3ccccc3n12 113834308 POEWOTWYFBKOGB-QRVIBDJDSA-N 452.495 4.368 5 40 JIBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408688058 VPJOJZWCLHJIPP-QFIPXVFZSA-N 482.470 4.110 5 40 JIBB Cc1cc(-c2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCO)C3=O)ccc1Br 408757277 LNWAGWSQHPLRSA-UHFFFAOYSA-N 455.264 4.074 5 40 JIBB COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3291110 CADXZXBNHJFYRU-UHFFFAOYSA-N 483.864 4.305 5 40 JIBB O=C(Nc1ccc(N2CCOCC2)c([N+](=O)[O-])c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 8902456 ANWRJJJLPXEEFC-UHFFFAOYSA-N 462.871 4.460 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1C 9891976 VIWRQYWITDEQHB-UHFFFAOYSA-N 480.590 4.335 5 40 JIBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 12528569 ZNLFJYBFCHOIKM-UHFFFAOYSA-N 482.536 4.047 5 40 JIBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153363 RRNVLDMAJCGTJB-UHFFFAOYSA-N 466.519 4.074 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 36006963 ZOCSCFCHXRISLO-NEWJYFPISA-N 483.455 4.132 5 40 JIBB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 72230010 MTYJPUHAYAUPGD-HSZRJFAPSA-N 467.909 4.419 5 40 JIBB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702713 TYDKFVHFFZOWOT-QUCCMNQESA-N 451.504 4.377 5 40 JIBB O=C(c1ccc(F)cc1)[C@@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=N[C@@]1(O)C(F)(F)F 8691774 GGFOEEAMEYXTMC-UEXGIBASSA-N 493.369 4.302 5 40 JIBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(CC(C)C)cnc32)cc1OC 8836026 FVRMKZFFCANOBS-UHFFFAOYSA-N 457.534 4.210 5 40 JIBB COC(=O)c1c(NC(=O)COc2ccccc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 8926589 WUAAQVWVHUYJAR-UHFFFAOYSA-N 469.475 4.021 5 40 JIBB O=c1c2cc3c(=O)n(C4CCCC4)ccc3nc2ccn1-c1nc(SCc2ccccc2)n[nH]1 40398952 QXTUVGIUDHOSFS-UHFFFAOYSA-N 470.558 4.226 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408682934 KJBSTXQQLXPXHD-ZMYBRWDISA-N 455.898 4.227 5 40 JIBB COc1cc(/C=C2/SC(=O)N(Cc3cccc([N+](=O)[O-])c3)C2=O)cc(Br)c1O 408916331 CASAHTURTDYENE-OVCLIPMQSA-N 465.281 4.308 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cc([N+](=O)[O-])ccc1Cl 409367569 ANUPFCFAGZGZGR-ISQHLFTMSA-N 475.844 4.033 5 40 JIBB O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1cccc([N+](=O)[O-])c1 1304084 WOIWWAABWKWSQO-SFHVURJKSA-N 460.284 4.290 5 40 JIBB CCOC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12 4008742 XCZBZNSOLCUWSC-UHFFFAOYSA-N 483.296 4.389 5 40 JIBB Cc1cc(=O)c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)nn1-c1ccccc1[N+](=O)[O-] 9313875 MXXJMXGVTKHCGC-HNNXBMFYSA-N 456.911 4.069 5 40 JIBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCCc1ccccc1 9860235 VKQLZVBSUOTNEK-UHFFFAOYSA-N 475.556 4.274 5 40 JIBB C[C@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408644707 HJMIDEXGPJCEMZ-LAUBAEHRSA-N 458.470 4.429 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408676574 ATONZVDVDGJPPW-FUHWJXTLSA-N 498.879 4.055 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 409109485 FXGFBANBFMEZNJ-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 409367746 KJZCQJOFNOGDOG-CAZKKTPXSA-N 464.399 4.490 5 40 JIBB CCn1c(=O)n(CC)c2c([N+](=O)[O-])c(N3CCC(Cc4ccccc4)CC3)c([N+](=O)[O-])cc21 9235652 PWOWNXUYVGIMMQ-UHFFFAOYSA-N 453.499 4.118 5 40 JIBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 14404872 GDWSDYCLGKBSIR-UHFFFAOYSA-N 491.529 4.450 5 40 JIBB C[C@H](OC(=O)c1cncn1-c1ccc(F)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 21509857 DOABOYBVEOYJSQ-NSHDSACASA-N 466.347 4.122 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 102708062 ABHSKXFQMILWRZ-TZRRMPRUSA-N 473.485 4.435 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 139053112 QYHWKFMHXZUJPZ-JSNMRZPZSA-N 455.898 4.227 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 9108556 YKPVISPEXRXLGY-SSUZURRFSA-N 470.529 4.146 5 40 JIBB COc1cc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])ccc1O 9312622 DMYBEYYSUCWYDA-PQVVKJAFSA-N 487.468 4.205 5 40 JIBB CN(C)[C@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 13070876 VMABWUNCVPDZSY-OAQYLSRUSA-N 464.488 4.249 5 40 JIBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(Cl)cc12 17112345 DMTRXRCFCHCDJJ-GQOCTPOGSA-N 462.893 4.019 5 40 JIBB COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)c(OC)c1 19816954 SZCRIGBEINEYPE-OAHLLOKOSA-N 491.529 4.255 5 40 JIBB O=[N+]([O-])c1ccc(COc2ccc(Br)cc2/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])cc1 409320860 FQBNHRDEBUNEME-XVNBXDOJSA-N 489.238 4.216 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 1316106 XUFBQHDQWQSUOO-NJYVYQBISA-N 467.840 4.438 5 40 JIBB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 8843892 GEUAXMZJJLLOOS-INIZCTEOSA-N 465.691 4.277 5 40 JIBB O=C(N[C@H]1CCSc2ccccc21)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9467949 FSJVAUUWNGBPOI-FQEVSTJZSA-N 469.544 4.363 5 40 JIBB COCCN1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C(C)C)CC1 35442696 MCZGJBLURXPFBX-LSQMVHIFSA-N 497.640 4.306 5 40 JIBB biogenic,in-vitro CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224943000 XROAWJOWZMHWNC-QHCPKHFHSA-N 471.623 4.450 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 408918895 QHVSHVYIIDINKG-LQDNNDEMSA-N 460.873 4.351 5 40 JIBB Cc1ccc(C)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)c1 409325790 BCFJKINYXPNHCL-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)CC1 9908017 AXBXJGPSYKSDHM-UHFFFAOYSA-N 478.505 4.036 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 19818612 RFWNJPZHMKDPID-PKTZIBPZSA-N 470.485 4.260 5 40 JIBB O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)Nc1ccccc1Cc1ccccc1 32810150 WQGAOGGKBDIWHY-UHFFFAOYSA-N 483.528 4.134 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43732351 VCOBWSSLVPVZKD-JLGINSKQSA-N 462.893 4.019 5 40 JIBB C[C@@H](NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2)C12CC3CC(CC(C3)C1)C2 102846247 TWFZCPMDEYULGJ-VWGAAZOWSA-N 453.587 4.203 5 40 JIBB Cc1ccc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1C 409156559 GJMIWESTKRNIKZ-FQEVSTJZSA-N 482.566 4.188 5 40 JIBB COc1ccc(-c2nc(CN3CCN(C(=O)c4ccc(NC5CC5)c([N+](=O)[O-])c4)CC3)cs2)cc1 22416381 WNUYWWAACCIUQO-UHFFFAOYSA-N 493.589 4.259 5 40 JIBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 22744021 ZJMXTNFYXXHRMH-UHFFFAOYSA-N 486.535 4.230 5 40 JIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)NCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 33618273 YSIITUBRUNUSNT-ASUFAWQPSA-N 457.895 4.114 5 40 JIBB O=[N+]([O-])c1ccc(Sc2nsc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])n2)c([N+](=O)[O-])c1 95676925 OJZGEHKLNJVAEN-UHFFFAOYSA-N 482.437 4.473 5 40 JIBB Cc1c(N(Cc2ccc(C(=O)NC[C@@H](C)c3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 224863210 QMBAPQNHUZYNIS-GOSISDBHSA-N 481.574 4.403 5 40 JIBB Cc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H]2c4cc([N+](=O)[O-])ccc4OC[C@H]2CS3)cc1 2659133 FEUOYRRSMVIZFB-DJJJIMSYSA-N 469.544 4.011 5 40 JIBB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])N2C1=O 3636840 ZYAGLFLSYMVYQS-UYAOXDASSA-N 451.504 4.377 5 40 JIBB Cc1ccc(C(=O)[C@H]2[C@H](c3ccc(-c4ccccc4[N+](=O)[O-])o3)NC(=O)N[C@]2(O)C(F)(F)F)cc1 8915307 QROPNDQWOQPCBZ-XQBPLPMBSA-N 489.406 4.267 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N(c2ccccc2)S(=O)(=O)c2cccc(Cl)c2)ccc1Cl 14141310 MFGXPAQNSHAGBH-UHFFFAOYSA-N 487.342 4.486 5 40 JIBB COc1ccc(Br)cc1/C=C/C(=O)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 16226451 JDTRVCBKLZEIGW-VMPITWQZSA-N 480.746 4.381 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223860757 JBASNASUDQAHEH-MRXNPFEDSA-N 489.956 4.112 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1)[C@@H]1CCCN12 408565977 MLTXRJVQZNKPNM-UQBYDPJISA-N 455.514 4.320 5 40 JIBB COc1ccccc1CN(C)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 12564383 UXBJPNMLKLZKFW-UHFFFAOYSA-N 451.445 4.497 5 40 JIBB Cc1ccc(C)c(OCc2nnc(Sc3ccc(S(=O)(=O)NC(C)(C)C)cc3[N+](=O)[O-])o2)c1 22062115 LFXRIFDTHXXPIL-UHFFFAOYSA-N 492.579 4.402 5 40 JIBB CCN1CCN(c2cc(NC(=O)c3ccc(Br)cc3)c(Cl)cc2[N+](=O)[O-])CC1 72229364 MRMISYZTHIYQCT-UHFFFAOYSA-N 467.751 4.405 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408684297 NGFIUSLMHYDNDE-ROUUACIJSA-N 474.300 4.410 5 40 JIBB O=C([C@H]1CCCCN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)N1Cc2ccccc2-c2ccccc2C1 522441098 OUTRQERVHPPXFJ-RUZDIDTESA-N 491.569 4.347 5 40 JIBB CS(=O)(=O)c1ccc(C(=O)OCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)cc1[N+](=O)[O-] 3448631 WOUQEFWCVWFNJV-UHFFFAOYSA-N 478.482 4.186 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13817120 YEFGLTRQXFZXPC-OHTANWTRSA-N 486.553 4.117 5 40 JIBB O=C(COC(=O)[C@@H]1CC(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)C1)c1cccc([N+](=O)[O-])c1 13857284 VDRCXTHYVVVVMU-OAHLLOKOSA-N 485.905 4.151 5 40 JIBB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3ccc([N+](=O)[O-])o3)CC2)cc1 14291194 PJPAVWUYRMJFTP-UHFFFAOYSA-N 468.897 4.364 5 40 JIBB Cc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCOCC4)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 20410841 YZANYBJCQPPSKA-UHFFFAOYSA-N 452.423 4.160 5 40 JIBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3)CC2)cc1 20528712 BARYLGDPVJXDAH-UHFFFAOYSA-N 488.544 4.381 5 40 JIBB CSc1ccc(C(=O)c2ccccc2C(=O)NCCNC(=O)c2ccc(C)c(F)c2)cc1[N+](=O)[O-] 28002246 YLIXVTBVSBUCHA-UHFFFAOYSA-N 495.532 4.155 5 40 JIBB CC(=O)Nc1ncc(-c2ccc(Oc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cc2)s1 32916234 AWYPQMYHBQTIDU-UHFFFAOYSA-N 488.547 4.254 5 40 JIBB C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccc(Cl)cc2)c1=N)c1ccccc1 101271444 YDHFJPFBXJNQBG-QGZVFWFLSA-N 483.959 4.321 5 40 JIBB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)Cc1ccccc1[N+](=O)[O-] 223411047 NKIYRHGQFRRFET-XMMPIXPASA-N 463.509 4.053 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)cc(Cl)c3OC)CC2)c([N+](=O)[O-])c1 408575422 UUTDWSMGYZIZLL-UHFFFAOYSA-N 482.320 4.049 5 40 JIBB Cc1ccc(CN(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)cc1 408585479 FPAAYJSAVBGIDL-UHFFFAOYSA-N 467.547 4.350 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1 408674602 CDEZCHGHMDPCRM-UHFFFAOYSA-N 485.518 4.039 5 40 JIBB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3490066 GPMSZJXZUVFIAC-QFIPXVFZSA-N 462.458 4.066 5 40 JIBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3cccc([N+](=O)[O-])c3)S(=O)(=O)c3ccccc3)cc12 8765818 JYPDXSQNXMCATG-UHFFFAOYSA-N 494.481 4.472 5 40 JIBB COc1cc(NC(=O)COC(=O)COc2ccccc2Cc2ccccc2)c(C)cc1[N+](=O)[O-] 12542666 NFDFQKFOKRXOOW-UHFFFAOYSA-N 464.474 4.063 5 40 JIBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCc3nc4ccc(Cl)cc4n3CCO)cc2[N+](=O)[O-])C1 12546507 PGQYTHFQFXIIFJ-HZPDHXFCSA-N 486.956 4.430 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 13682673 LPDZEVYJXNGREC-UHFFFAOYSA-N 472.350 4.082 5 40 JIBB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 25310644 RADWBUPPKVVXEO-DEOSSOPVSA-N 463.490 4.395 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N/C(=O)c1ccc(Cl)cc1 102918882 DGLROTUXGCDCAH-BYNJWEBRSA-N 492.963 4.185 5 40 JIBB COc1ccc(-c2nc(C(=O)N3CCN(c4ccc(Cl)cc4[N+](=O)[O-])CC3)cs2)cc1OC 12606794 OPQFQJOYZRXUIN-UHFFFAOYSA-N 488.953 4.351 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)[nH]2)c([N+](=O)[O-])c1 14152508 XAYCYURORJMLMP-UHFFFAOYSA-N 454.295 4.426 5 40 JIBB COc1cc(NC(=S)NC(=O)c2ccc(C)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 14271183 XCXZHAFXWPTJAP-UHFFFAOYSA-N 470.532 4.352 5 40 JIBB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12 20675661 VPENBNZRDJUFPS-LEWJYISDSA-N 450.495 4.250 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@@H](CO)Cc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 78495463 XTGUWYDVABHDAX-LJQANCHMSA-N 455.536 4.028 5 40 JIBB CCc1cccc(C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 409117008 WARFCWKZFXZEFY-UHFFFAOYSA-N 453.520 4.300 5 40 JIBB COc1cc(C(=O)OCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)ccc1OCc1ccccc1 9544323 NGTZSDSHFPMWFJ-UHFFFAOYSA-N 480.473 4.295 5 40 JIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(c1)S(=O)(=O)N=C1CCCCCN12 12528092 JAALGOWHTQNAHJ-UHFFFAOYSA-N 476.942 4.002 5 40 JIBB COc1ccc(Br)cc1CN(C)c1ccc(S(=O)(=O)N2CCCCC2)cc1[N+](=O)[O-] 12546701 IJXIHSQYLXMLOC-UHFFFAOYSA-N 498.399 4.177 5 40 JIBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@H](C(=O)Nc3ccccc3)C2)CC1 17822927 WOVAQLYTGXGPRT-IBGZPJMESA-N 450.539 4.322 5 40 JIBB O=[N+]([O-])c1ccc(SCCOCCSc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c([N+](=O)[O-])c1 100937343 KNJDKDWVCGGZJS-UHFFFAOYSA-N 470.441 4.220 5 40 JIBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224697714 CVVQVZVNDJYZJA-HXUWFJFHSA-N 491.972 4.215 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565248 JCUJYUOUQSTCJM-RZPHLTDDSA-N 463.921 4.441 5 40 JIBB C[C@@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408650307 MHKCMOJDOILOSG-AWEZNQCLSA-N 477.860 4.173 5 40 JIBB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1cccc([N+](=O)[O-])c1 408661787 HTPYLWMFWWQMEN-UHFFFAOYSA-N 498.717 4.220 5 40 JIBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4OC)cnc32)cc1 2309553 VCMCMEDFXSJKSM-UHFFFAOYSA-N 463.497 4.349 5 40 JIBB O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Br)cc21)c1ccccc1[N+](=O)[O-] 8921601 ICFHYPHRDCYMAC-DEOSSOPVSA-N 495.329 4.407 5 40 JIBB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)N1CCCc2cc([N+](=O)[O-])ccc21 12768224 BPSCTQKQGLKKPX-UHFFFAOYSA-N 473.942 4.027 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc([N+](=O)[O-])cc3)cc2)cc1 14831606 QGRQNMLMSBQNJN-SYZQJQIISA-N 453.476 4.056 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 18062882 XXIMKWSBZNDJIM-HJOGWXRNSA-N 473.485 4.435 5 40 JIBB O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 20457726 GQFIYRLWPLNCPI-DHDCSXOGSA-N 466.256 4.436 5 40 JIBB O=c1/c(=C/c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 139630759 WPXFPJLCMZSXEQ-ZDQFFALBSA-N 465.534 4.227 5 40 JIBB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 408533077 OBDSNKXLVOZPGU-UHFFFAOYSA-N 492.923 4.409 5 40 JIBB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1 12524931 ZWTVYISBOCCYSZ-UHFFFAOYSA-N 498.561 4.162 5 40 JIBB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] 13895660 REXVASQUIKUPIG-NBVRZTHBSA-N 494.481 4.106 5 40 JIBB O=C(COc1ccc2ccccc2c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 19594107 YXPOWIKORZCOJR-UHFFFAOYSA-N 459.424 4.494 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 33911452 TUVIACLWIODXFI-NGSHPTGOSA-N 479.492 4.302 5 40 JIBB CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2cnc3ccccc3c2)cc1[N+](=O)[O-] 58159602 YODWIMUMDQEZLR-UHFFFAOYSA-N 454.486 4.370 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408568816 URWWYZYYEWWZLB-MAYPLETRSA-N 491.519 4.372 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1cc(Cl)ccc1Cl)Nc1ccc([N+](=O)[O-])cc1 408663239 MOXDODNDZSKXBF-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408678867 DOXHJJVANWTTGI-IYBDPMFKSA-N 474.300 4.410 5 40 JIBB COc1ccc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccc(OC)c(OC)c2)cc1 2328200 IALIUHIDTGHHHS-UHFFFAOYSA-N 497.551 4.184 5 40 JIBB O=C(CSc1nc(=O)c2c3c(sc2[nH]1)CCCC3)Nc1cc([N+](=O)[O-])ccc1Cl 8640591 IXSPUJVRSASEHF-UHFFFAOYSA-N 450.929 4.156 5 40 JIBB CCOC(=O)C1=C(C)Oc2ncn3nc(-c4ccc([N+](=O)[O-])cc4)nc3c2[C@@H]1c1ccccc1 13643526 XIZZDEJLRJSNCB-LJQANCHMSA-N 457.446 4.061 5 40 JIBB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14269898 YUCGWQZBJJWAHZ-UHFFFAOYSA-N 453.568 4.312 5 40 JIBB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)N1CCN(c2ccccc2[N+](=O)[O-])CC1 14923976 PZWIGLNHIXAAGF-ZDUSSCGKSA-N 456.852 4.416 5 40 JIBB COc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)N1C[C@@H](C)O[C@H](C)C1 16046341 KICZRVDEEVZWNG-IBBQAADRSA-N 483.546 4.398 5 40 JIBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100861595 ZCOPCZXUIKICGA-CTNGQTDRSA-N 480.402 4.396 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 106015495 NPZOYJXUMHPAFJ-ONJIFJTESA-N 471.538 4.414 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408687606 URIMOENUKKRORD-RTBURBONSA-N 498.879 4.055 5 40 JIBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)Nc2nc(=S)[nH]c(O)c2[C@@H]1c1ccccc1 3306782 ZRWKIEZQOVIZGN-OAHLLOKOSA-N 450.476 4.285 5 40 JIBB CCOC(=O)c1sc(NC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1C 5940443 BLLNLMMYMXLARB-UHFFFAOYSA-N 489.531 4.195 5 40 JIBB CNc1ccc(C(=O)c2ccccc2C(=O)OCc2nc3ccccc3nc2C)cc1[N+](=O)[O-] 8780134 WZHKYNYZEJLYTO-UHFFFAOYSA-N 456.458 4.476 5 40 JIBB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC 9434090 LIANYTCJTSODOS-JOCHJYFZSA-N 481.530 4.460 5 40 JIBB O=C(CSc1nnc(-c2cccc([N+](=O)[O-])c2)o1)Nc1ccc([N+](=O)[O-])cc1Br 13372490 YDDVRSNOSBPCOM-UHFFFAOYSA-N 480.256 4.046 5 40 JIBB COc1ccc(N(CC(=O)N2CCCc3ccccc32)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 13647244 ZEZRLILFBVOKRZ-UHFFFAOYSA-N 495.557 4.087 5 40 JIBB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 14123344 FRIRGSDBASAFND-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1Cl 16449263 SJHGPWRIZFSYND-UHFFFAOYSA-N 472.876 4.104 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 20802630 DUDJDQYNGYYXQC-NHCUHLMSSA-N 450.495 4.106 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 102760059 XXIMKWSBZNDJIM-TZRRMPRUSA-N 473.485 4.435 5 40 JIBB CC[C@H](NC(=O)[C@H](CC)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260915021 CFSPIUCJFNJELT-GOTSBHOMSA-N 473.595 4.286 5 40 JIBB Cc1cc(C(=O)Oc2ccc(Cl)cc2NC2=NS(=O)(=O)c3ccccc32)ccc1[N+](=O)[O-] 3583322 FTQDVVMZTBHIBK-UHFFFAOYSA-N 471.878 4.337 5 40 JIBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1cccc([N+](=O)[O-])c1 9310344 LRGNXJUZLSZDPR-UCQKPKSFSA-N 473.510 4.343 5 40 JIBB Cc1ccc(Sc2ccc(C(=O)OCC(=O)Nc3sccc3C(N)=O)cc2[N+](=O)[O-])cc1 9963918 HTBGGRKLCKFYIW-UHFFFAOYSA-N 471.516 4.010 5 40 JIBB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 33729750 BBTQLEKAGRLBMJ-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB CCCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OC 34879954 MYBSOWKOPUQMNV-UHFFFAOYSA-N 456.236 4.249 5 40 JIBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 102757994 WBNRSNDIXOEGFN-QHAWAJNXSA-N 494.301 4.408 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408687429 UJBBIJUVGCEUSI-IAGOWNOFSA-N 474.300 4.410 5 40 JIBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 409355207 JQPSCAMLRGVMJS-MOSHPQCFSA-N 478.486 4.069 5 40 JIBB CC(C)OCCCNC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 1871418 AIDNWMVDOBQENS-UHFFFAOYSA-N 482.928 4.262 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 2231975 FNMLBJUSHAWGME-UHFFFAOYSA-N 494.935 4.472 5 40 JIBB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 9096849 BJUSCSIKLAKIGT-UHFFFAOYSA-N 496.545 4.257 5 40 JIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccc(NC(=O)c2ccccc2O)cc1 39754961 SEIVXDKOPWJTMT-UHFFFAOYSA-N 461.459 4.324 5 40 JIBB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224959691 UYQMUAWRVUUPCL-RUZDIDTESA-N 477.536 4.441 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408679400 DWMFHHMYWPFVIY-AFHBHXEDSA-N 488.327 4.490 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc2)cc1 3315847 WRGONUDPQQDCKY-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB CCN1CCC[C@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12566379 CLVSVGQDKQQGML-FXAWDEMLSA-N 461.360 4.111 5 40 JIBB O=C(c1ccc(Br)c([N+](=O)[O-])c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 24832561 VFZYUDDXQIGZER-UHFFFAOYSA-N 487.379 4.439 5 40 JIBB O=C(Cn1c(=O)c(N2CCCC2)nc2ccc([N+](=O)[O-])cc21)Nc1ccc(Cl)c(C(F)(F)F)c1 32810151 FUFLHDLRKPAPCP-UHFFFAOYSA-N 495.845 4.216 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc(Cl)cc1Cl 34702837 BEBBSEAKCXGOAI-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc([N+](=O)[O-])c1 35263603 AQHDSVDIHLYPBI-UHFFFAOYSA-N 480.889 4.176 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)o1 223247239 HVQRACKTPYZDPI-GOTSBHOMSA-N 481.578 4.183 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408568208 SIHRXNMGQOZLJN-PBXXJUDPSA-N 463.921 4.441 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408575105 WAGLUYUTAJFUCC-LXISHSFJSA-N 493.947 4.496 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409349853 RNPHCGFBPZFBIL-MFOYZWKCSA-N 462.867 4.272 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 12998913 KOLJHEVSKGVOAU-HSZRJFAPSA-N 453.520 4.260 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2OC)nnc1-c1ccc(Br)cc1 20051090 JHHIKUNNOACYGW-UHFFFAOYSA-N 492.355 4.375 5 40 JIBB CC[C@H](C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223363378 NTLJHEQUGIFUNX-HTAPYJJXSA-N 491.610 4.457 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223736699 ZTBWACHKXKWOCZ-FCHUYYIVSA-N 466.519 4.176 5 40 JIBB CCOc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409346923 MWKUGPRNGOPUBL-UHFFFAOYSA-N 491.957 4.394 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1Br 409361493 CMELQQHXMOLIHB-RQZCQDPDSA-N 477.292 4.285 5 40 JIBB C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(C(=O)NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O1 585267687 USCALVPNXPYJBC-HSZRJFAPSA-N 486.933 4.303 5 40 JIBB O=C1[C@@H]2CS[C@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Br)cc1 3330726 YBUOLPRERCUDSU-GOEBONIOSA-N 450.339 4.105 5 40 JIBB COC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccc([N+](=O)[O-])cc2)S1 9193467 HFWYKLNDQZKLPV-OAQYLSRUSA-N 470.532 4.320 5 40 JIBB CCOc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9317997 BZNOHKCYXAMBDZ-KRWDZBQOSA-N 451.932 4.137 5 40 JIBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@H](c2ccc(N3CCC(c4ccccc4)=N3)cc2)NC(=O)N1 12564607 YMEUZGHGTCTCRN-VWLOTQADSA-N 496.527 4.476 5 40 JIBB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12597942 SOERAJYMMWSRSR-UHFFFAOYSA-N 476.867 4.463 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c1 18211360 WFWHOMVDKSSNJY-FSSWDIPSSA-N 479.876 4.308 5 40 JIBB O=[N+]([O-])c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)cc1 20533713 DCUCPGOTZFFIAM-UHFFFAOYSA-N 454.533 4.155 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1OC 408562692 FLRADZHLPQAIAR-UHFFFAOYSA-N 483.908 4.490 5 40 JIBB O=c1/c(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)sc2nc(-c3ccccc3)c(-c3ccccc3)n12 408975196 IZWFUCWANLIMDH-CIAFOILYSA-N 469.478 4.275 5 40 JIBB O=C(CN1C(=O)N/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)Nc1ccccc1F 409213667 UVNRYUJSPYUPIG-VCHYOVAHSA-N 484.827 4.179 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCc1ccccc1 1885997 IZJAFLJHGFLIDR-LBNVMWSVSA-N 494.551 4.394 5 40 JIBB biogenic CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2150353 CXTCDVNICKPTBZ-JOCHJYFZSA-N 495.553 4.234 5 40 JIBB biogenic O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)c(Cl)c1)c1ccc([N+](=O)[O-])o1 8997673 UINPAUBASYFNSN-UXBLZVDNSA-N 480.908 4.456 5 40 JIBB COc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c1 13806377 YBVDIFBWHOGWLW-FDFHNCONSA-N 479.876 4.308 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 101188279 XXIMKWSBZNDJIM-VXNXHJTFSA-N 473.485 4.435 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409123095 DSEYPPZUBMMMGG-MRXNPFEDSA-N 482.566 4.045 5 40 JIBB O=C(CNC(=O)OCc1ccccc1)Oc1cc(O)c2c(=O)c3ccc(Cl)cc3oc2c1 8971385 JPSZRYAGQKGALD-UHFFFAOYSA-N 453.834 4.137 5 40 JIBB O=C(CCC(=O)c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062410 MJOUAFINBPOMTO-UHFFFAOYSA-N 485.456 4.499 5 40 JIBB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3C[C@@H]2C)cc1 10327005 QWLIXSGIJYKCEB-INIZCTEOSA-N 451.504 4.295 5 40 JIBB O=C(C1CCN(c2ccccc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 15597294 CRKFFLLWELQAFE-HXUWFJFHSA-N 451.523 4.336 5 40 JIBB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153164 ZSISMHIWSPRVPW-UHFFFAOYSA-N 483.333 4.327 5 40 JIBB O=C(c1ccccc1)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20517508 TYKZRTWFFHHUAD-NZCWTCFWSA-N 471.538 4.414 5 40 JIBB Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2ccc([N+](=O)[O-])c3c([N+](=O)[O-])ccc(c23)C1=O 408973286 AJFCIPJCDUAHBV-UHFFFAOYSA-N 457.402 4.259 5 40 JIBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9064943 OYTGXTGPUOYZND-UHFFFAOYSA-N 466.519 4.074 5 40 JIBB CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1ccc(Cl)cc1 9125843 MEVSBGWLLIDPAL-INIZCTEOSA-N 456.351 4.070 5 40 JIBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCc2cccc(S(=O)(=O)N(C)C)c2)n1 9385940 OYDFBRWRHUEEHT-UHFFFAOYSA-N 493.588 4.118 5 40 JIBB COc1cc(C)c(CSc2ccc(S(=O)(=O)NC(C)(C)C)cc2[N+](=O)[O-])cc1OC 9544550 ZKZWDNBXCYMLIK-UHFFFAOYSA-N 454.570 4.290 5 40 JIBB Cc1cccc(N(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)S(C)(=O)=O)c1 10334854 ZKBLTTPLZTZCCO-UHFFFAOYSA-N 453.520 4.430 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1OC 15372926 HCMWVQMXFGYOOL-UHFFFAOYSA-N 483.908 4.490 5 40 JIBB CSc1nc2n(n1)[C@H](c1cccc([N+](=O)[O-])c1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 17243220 LJPPXNZRJUZKLD-QGZVFWFLSA-N 456.915 4.489 5 40 JIBB C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62395619 GEBTXSKRXGEJGD-HNNXBMFYSA-N 473.455 4.311 5 40 JIBB CC(C)c1ccccc1OCCNC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 223752528 PAVWSLAIMYSSDT-UHFFFAOYSA-N 497.573 4.109 5 40 JIBB CC(C)C[C@@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1nc2ccccc2[nH]1 8719735 RUDWJVCZEOTAKN-HXUWFJFHSA-N 457.556 4.455 5 40 JIBB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 8952584 FPFQVQKYBIUHDQ-RISCZKNCSA-N 476.363 4.414 5 40 JIBB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@@H]1c1ccc([N+](=O)[O-])cc1 9415383 YKCORAJKDQJRES-LJQANCHMSA-N 478.530 4.365 5 40 JIBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1 12775458 RBJUWXYSUQIABV-NHYWBVRUSA-N 484.962 4.085 5 40 JIBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccc(F)cc2)c1C 13424293 XDMXBLHQPWKQEN-UHFFFAOYSA-N 457.439 4.395 5 40 JIBB Cc1sc(NC(=O)CCC(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)nc1-c1ccccc1 13574970 RMEOPHIIVVAEDC-UHFFFAOYSA-N 453.476 4.172 5 40 JIBB Cc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(Cl)cc1 14153408 UMNDNKVQQMVCBJ-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 20671571 FBZNXZFWALOZKD-INIZCTEOSA-N 461.503 4.246 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224480313 XMDIJRUZSCLIET-SFHVURJKSA-N 452.338 4.388 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(c1ccc2oc(=O)sc2c1)S(=O)(=O)c1ccc(Cl)cc1 8834316 VYCUGLQWXSZIRJ-UHFFFAOYSA-N 490.902 4.452 5 40 JIBB O=C(c1ccccc1)[C@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20517504 TYKZRTWFFHHUAD-OHTANWTRSA-N 471.538 4.414 5 40 JIBB CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102761751 LJXSTPREHRDJNC-BHIFYINESA-N 461.499 4.368 5 40 JIBB O=c1sc2cc(S(=O)(=O)Nc3cccc([N+](=O)[O-])c3)ccc2n1Cc1ccc(Cl)cc1 225786065 FSDFBUGIOBFNNR-UHFFFAOYSA-N 475.935 4.474 5 40 JIBB COc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)c([N+](=O)[O-])c1 408917760 AWQBOKMHSVEMTM-LQDNNDEMSA-N 460.873 4.351 5 40 JIBB CC1=NN(c2ccccc2)C(=O)[C@H]1C(c1cc([N+](=O)[O-])ccc1O)[C@@H]1C(=O)N(c2ccccc2)N=C1C 1505840533 MFTZZQZPWIORHA-DNQXCXABSA-N 497.511 4.462 5 40 JIBB COc1ccc(-c2csc(NC(=O)c3ccc(Sc4nncn4C)c([N+](=O)[O-])c3)n2)cc1OC 2618656 NFEJOJXXHHUNIM-UHFFFAOYSA-N 498.546 4.268 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)cc3)CC2)cc1 57317161 BFNASCRUHIEWBF-UHFFFAOYSA-N 494.935 4.472 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1Cc1ccccc1 101265574 JGMJWZMVMXJXCW-VSKRKVRLSA-N 463.877 4.295 5 40 JIBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(Br)ccc2OC)cc1 408565073 BCCUPYOXFDBFAP-SFHVURJKSA-N 479.356 4.466 5 40 JIBB Cc1c(Br)ccc(Nc2c([N+](=O)[O-])cc3c4c(cccc24)C(=O)N(CCO)C3=O)c1C 4003749 PKYWODXYJGKWGJ-UHFFFAOYSA-N 484.306 4.459 5 40 JIBB COc1ccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9313180 SEURAFXKYPYKPI-NDBXHCKUSA-N 471.469 4.499 5 40 JIBB CCOC(=O)c1c(NC(=O)c2cc([N+](=O)[O-])nn2Cc2ccccc2)sc2c1CC[C@@H](C)C2 9968825 KTZJGIGEKIEGLG-CQSZACIVSA-N 468.535 4.455 5 40 JIBB O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nn(Cc3ccccc3Cl)cc2Br)c1 13959809 NOSILKRXSZYIEG-UHFFFAOYSA-N 471.720 4.056 5 40 JIBB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223242369 ONLFADGGYVPVNG-VXKWHMMOSA-N 451.552 4.174 5 40 JIBB CC(C)[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 408738632 SVRLIDFHLUTYCO-VWLOTQADSA-N 474.513 4.294 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O 409093854 AYMJWWZFEMMQIO-YBFXNURJSA-N 456.476 4.162 5 40 JIBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 3543186 HJDOIOKJRZYRQD-UHFFFAOYSA-N 494.843 4.272 5 40 JIBB O=C(CSc1nnc(NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)s1)Nc1ccccc1F 9369142 NPYSDWCAEBTOII-UHFFFAOYSA-N 467.891 4.222 5 40 JIBB COc1cc([C@H](C)OC(=O)[C@H]2CSC(c3nc4ccc(O)cc4s3)=N2)c([N+](=O)[O-])cc1OC 9915660 VGEMOUFKGRGCNZ-IINYFYTJSA-N 489.531 4.094 5 40 JIBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223217611 DBTJMSNPIPAGAB-FQEVSTJZSA-N 471.554 4.013 5 40 JIBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 408641569 CSKZHTZMYZPBHU-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB COCCN1C(=O)S/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C1=O 409123418 BSUXKMSKBCQLIJ-DHDCSXOGSA-N 453.270 4.300 5 40 JIBB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409357179 JRHLSHXKUCISFV-UHFFFAOYSA-N 491.957 4.486 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1F 1845379 GGOZMXAYBIGQCY-BVAGGSTKSA-N 484.487 4.100 5 40 JIBB biogenic O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@H]1CCCO1 2411958 JDQLDTKEASDUES-BEFAXECRSA-N 485.290 4.188 5 40 JIBB Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1[N+](=O)[O-] 8831255 JOCCDIQJSGRYOD-UHFFFAOYSA-N 466.910 4.417 5 40 JIBB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1ccccc1[N+](=O)[O-] 9095716 OMHOCBWCMRNQCG-UHFFFAOYSA-N 458.268 4.227 5 40 JIBB COc1ccc(-c2nnc(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)n2C(C)C)cc1 9544904 ZRSSYTPCSYCJQR-UHFFFAOYSA-N 471.539 4.491 5 40 JIBB COc1cccc(CNc2nc(NCc3cccc(OC)c3)n(C(=O)c3ccccc3[N+](=O)[O-])n2)c1 9948497 MRIIUCGTPKGWDE-UHFFFAOYSA-N 488.504 4.116 5 40 JIBB COc1ccc(-n2c(SCc3cccc([N+](=O)[O-])c3)nc3c(c2=O)SCC3)cc1OC 12140709 KRAHTLXOCJNROD-UHFFFAOYSA-N 457.533 4.098 5 40 JIBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1Cl 12528285 ZWYKYECOPQYOJW-GFCCVEGCSA-N 460.339 4.096 5 40 JIBB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 12566283 BMHNXEKFHFYWIO-QGZVFWFLSA-N 482.514 4.441 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13811720 PKNFLNIAEUQHQA-TUGCOKMYSA-N 486.553 4.117 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1OCc1ccccc1[N+](=O)[O-] 409217157 SRFUSFVLSMXAIZ-DEDYPNTBSA-N 458.492 4.255 5 40 JIBB O=C(CCC(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Nc1cc(C(F)(F)F)ccc1Cl 8721904 LAHNWPTVEWHNLH-UHFFFAOYSA-N 458.776 4.412 5 40 JIBB COc1ccc(CN2CCCN(c3ccc(S(=O)(=O)Nc4ccccc4)cc3[N+](=O)[O-])CC2)cc1 9378607 QUYNWUZJCACAAZ-UHFFFAOYSA-N 496.589 4.117 5 40 JIBB C[C@@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2[N+](=O)[O-])C1 12524893 IBNYGJWTDSNYCR-GOSISDBHSA-N 486.594 4.258 5 40 JIBB O=C(CSc1ccc(Cl)cc1)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 14826590 HHVFMIAXMIQRHN-UHFFFAOYSA-N 469.953 4.268 5 40 JIBB Cc1ccc2nc3c(cc(C(=O)N[C@@H](C)c4ccccc4)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742240 KMUYPVOVQFRPDD-FQEVSTJZSA-N 477.568 4.171 5 40 JIBB COC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(=O)[nH]c(=S)n2[C@@H](C)c1ccccc1 36617200 AWKRTKOUDMUGSJ-ZDUSSCGKSA-N 462.487 4.425 5 40 JIBB COc1ccc(CCN2C(=O)[C@H](Oc3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(OC)c2OC)cc1 48288861 VWKISBAGGMTQLY-UKILVPOCSA-N 478.501 4.194 5 40 JIBB CCN1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229295 XMASHWAULSYWGJ-UHFFFAOYSA-N 467.751 4.405 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 408706200 XBCSEVRMPNUCIV-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB COc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc([N+](=O)[O-])cc3)ccc2N2CCCC2)cc1 9492040 WNVCKLVUVKVQPY-UHFFFAOYSA-N 496.545 4.257 5 40 JIBB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1Cl 20610786 QYKCAIUPWRAJHC-UHFFFAOYSA-N 453.842 4.252 5 40 JIBB Cc1onc(C(=O)Nc2nn(Cc3ccc(F)cc3Cl)cc2Cl)c1Cn1cc([N+](=O)[O-])cn1 22753012 XEOGAOGJIDYUCY-UHFFFAOYSA-N 494.270 4.079 5 40 JIBB O=C(COC(=O)c1ccc(NCc2ccccc2)c([N+](=O)[O-])c1)N[C@@H]1CCOc2ccccc21 27201379 CQNITOFNYHYOHZ-HXUWFJFHSA-N 461.474 4.004 5 40 JIBB O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[C@@H]1c1nnc2ccccn12 31503754 ZWMABFAUWLEVIA-GOSISDBHSA-N 488.470 4.236 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1Cl 33746752 BUNAJSQMRPIEDT-UHFFFAOYSA-N 458.946 4.210 5 40 JIBB CCCCn1/c(=N\C(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101166471 CILZXLKJTJTGKV-AJWXRQPUSA-N 484.556 4.075 5 40 JIBB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 408528932 HQNHPRKFXIVITR-UHFFFAOYSA-N 497.573 4.092 5 40 JIBB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Br)c([N+](=O)[O-])c2)N3)C1 8921472 DBPDBAGSCJIXQF-OAHLLOKOSA-N 481.328 4.362 5 40 JIBB COc1cc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2C)c(C)cc1[N+](=O)[O-] 9715901 PNRPXBIQGAKSTL-UHFFFAOYSA-N 450.875 4.215 5 40 JIBB Cn1c(COc2ccc([N+](=O)[O-])cc2)nnc1SCC(=O)Nc1cc(Cl)ccc1Cl 13424592 QHJAKTDOPZSLMK-UHFFFAOYSA-N 468.322 4.340 5 40 JIBB CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc(OC(=O)c2ccc([N+](=O)[O-])cc2)cc1 26963669 IGZZTRPOTHKGPT-UHFFFAOYSA-N 494.500 4.175 5 40 JIBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1c3ccccc3cc3ccccc13)[C@H]1C(=O)c3ccccc3C1=N2 408733029 DGNPATRZNTUZHU-BJKOFHAPSA-N 471.516 4.469 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1 409362215 UIVVBKSBOQWXST-CIAFOILYSA-N 492.469 4.272 5 40 JIBB Cc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)c(C)c1 2720072 RADBDFHVNDJSGO-UHFFFAOYSA-N 468.560 4.137 5 40 JIBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 2980321 YXVWUBBGMMPRRP-QFIPXVFZSA-N 493.472 4.339 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Br)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 4290316 HWQUULOYHUQJQL-UHFFFAOYSA-N 466.247 4.410 5 40 JIBB CCOC(=O)C(CCc1ccc([N+](=O)[O-])cc1)(CCc1ccc([N+](=O)[O-])cc1)C(=O)OCC 4403867 RTKQDZBJINFZTE-UHFFFAOYSA-N 458.467 4.181 5 40 JIBB CCOc1cc(C(=O)N(C)Cc2cc(Br)ccc2OC)c([N+](=O)[O-])cc1OC 17957741 XAJLNMZJZXSNFP-UHFFFAOYSA-N 453.289 4.045 5 40 JIBB CC(C)(C)OC(=O)N1CCN(c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])CC1 32869771 XNGCVFVIMZGVJH-UHFFFAOYSA-N 496.973 4.106 5 40 JIBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565029 HGIUPFAJCGLGKP-OICBGKIFSA-N 473.529 4.105 5 40 JIBB COc1ccccc1Cn1c2nc3ccccc3nc2c2c(=O)n(-c3ccccc3OC)cnc21 2367324 XMKZMCRPIUSJAN-UHFFFAOYSA-N 463.497 4.349 5 40 JIBB COc1cc(C(=O)Nc2nnc(SCc3cccc(F)c3)s2)c([N+](=O)[O-])cc1OC 9369151 HMHPUPCJUCTPKY-UHFFFAOYSA-N 450.473 4.147 5 40 JIBB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12563662 ZSBUBAPZXHXERY-UHFFFAOYSA-N 476.867 4.463 5 40 JIBB COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 18177513 JOMCFRDCHSYCOG-FSSWDIPSSA-N 495.875 4.014 5 40 JIBB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O 101203223 WGZWDBGGJLQTEJ-ZRBLBEILSA-N 459.458 4.045 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2cccc(Cl)c2)cc1 409309239 DHJPQWISIDONTD-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB COc1ccc([C@@H]2S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 1633763 JNXJZXZGCWSPOU-GMPUOFRTSA-N 475.526 4.492 5 40 JIBB CCOC(=O)c1cc(NC(=O)c2ccc([N+](=O)[O-])cc2)cc(NC(=O)c2ccc([N+](=O)[O-])cc2)c1 3212918 BOZKYXFDJCEDHU-UHFFFAOYSA-N 478.417 4.184 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 10475657 XPNWFMXFIZVDSM-UHFFFAOYSA-N 463.313 4.370 5 40 JIBB CCOc1cc(CNCCNc2ccc([N+](=O)[O-])cc2Cl)ccc1OCC(=O)NC(C)(C)C 16688913 GIXRRQPOGQTVFI-UHFFFAOYSA-N 478.977 4.142 5 40 JIBB CN(C)CCCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 58310722 FQEPNQKSAYGRSE-UHFFFAOYSA-N 453.564 4.327 5 40 JIBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)cc2Cl)cc1[N+](=O)[O-] 138784569 KOICUJXOGYJQDS-UHFFFAOYSA-N 454.266 4.111 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565243 JCUJYUOUQSTCJM-HFRGRHLUSA-N 463.921 4.441 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408572045 QMYPCZKGSNZDGJ-AHNGBTAHSA-N 491.519 4.372 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1[N+](=O)[O-] 409155299 IFZYZIMTSGZHQD-UHFFFAOYSA-N 455.540 4.465 5 40 JIBB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)Cn2ncc3ccc([N+](=O)[O-])cc32)cc1OC 8718226 NJXCZJWRPRUVNP-HXUWFJFHSA-N 491.529 4.401 5 40 JIBB O=C(O)c1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(-c2ccccc2)c1C(=O)c1ccccc1 16491773 LVIYMVCEQRCJEY-UHFFFAOYSA-N 458.386 4.285 5 40 JIBB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153356 AUIBHANLHWYANF-UHFFFAOYSA-N 480.546 4.383 5 40 JIBB O=C1C[C@@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccccc1Sc1ccccc1 21817139 RKSVAHZIUDSBRL-HSZRJFAPSA-N 488.569 4.200 5 40 JIBB CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C)O[C@@H](C)C2 24080845 LNWMMXMFZJMNSU-FPTDNZKUSA-N 489.956 4.041 5 40 JIBB O=C(CN1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1)Nc1ccccc1SC(F)F 62343849 MSVFVXAGRSHBCL-UHFFFAOYSA-N 473.505 4.218 5 40 JIBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 225165506 WDHLZASFUBLSEI-QHCPKHFHSA-N 497.573 4.375 5 40 JIBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c1 408562553 AVNDVPVIMPAEEQ-UHFFFAOYSA-N 491.909 4.319 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408688007 VMLZSNSHXCUZKD-HEFCMCLBSA-N 453.882 4.003 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409198430 AMPRFRRXBYWABT-WOJGMQOQSA-N 490.428 4.397 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 1874265 VDEAFHDCXYFXOS-IGKIAQTJSA-N 498.514 4.143 5 40 JIBB biogenic COc1ccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1Cl 13575006 WURHZEHRUMCOLE-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB CCOc1cc2c(cc1CNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C)O[C@H](C)C2 32741032 LNWMMXMFZJMNSU-JLCFBVMHSA-N 489.956 4.041 5 40 JIBB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1n[nH]c2ccc([N+](=O)[O-])cc12 32796863 UZNAEYQEIFWLIQ-UHFFFAOYSA-N 452.474 4.313 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 43730795 UOKYZKHVSLYFKN-PWAGRJGVSA-N 496.445 4.384 5 40 JIBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)C(=O)N1c1ccc(Br)cc1 102732477 HVWIMHKWGKNUJZ-PCCBWWKXSA-N 494.301 4.408 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408685452 PMLKLKVNAFRYSZ-DJKXOVBDSA-N 453.882 4.003 5 40 JIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 408703547 SLARKAJMWMHQKQ-UHFFFAOYSA-N 458.323 4.329 5 40 JIBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)NC[C@@H]1CN(Cc2ccccc2)CCO1 13134910 ZLOGJTMLCHLBCV-OAQYLSRUSA-N 497.624 4.145 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2Cl)CC1 13680213 SFJFZJIHOSVXAW-UHFFFAOYSA-N 486.377 4.391 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 20802638 DUDJDQYNGYYXQC-SFTDATJTSA-N 450.495 4.106 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 95909130 NHZSTDKVUILCCA-NJYVYQBISA-N 494.847 4.208 5 40 JIBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408677346 BSHVNTQZPYWQJJ-QFIPXVFZSA-N 482.470 4.110 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408679788 FIASEAXCBRLMJD-ISZNXKAUSA-N 488.327 4.490 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408684741 NXMDZERQRUEYLN-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB O=C(NN1C(=O)c2ccccc2N[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1 1438626 OIMNDRIMRFNDLJ-LJQANCHMSA-N 467.279 4.269 5 40 JIBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2249262 YXGQBZQTKQJILN-UHFFFAOYSA-N 453.502 4.478 5 40 JIBB Cc1noc(C)c1COc1ccc(CC(=O)OCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 13129611 JZHNIURNXLSCMS-UHFFFAOYSA-N 464.434 4.115 5 40 JIBB Cc1c(C(=O)NC(=S)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cccc1[N+](=O)[O-] 35263920 AXQMOAORKUYTFF-UHFFFAOYSA-N 494.916 4.484 5 40 JIBB O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(=S)Nc2ccc(SC(F)F)cc2)CC1 36847643 DDXXTMYBDAOJEX-UHFFFAOYSA-N 458.537 4.126 5 40 JIBB CC1=C(C(=O)N(C)C)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1c1ccc(F)c(Cl)c1 40152366 HIVHCLOWMFUTRI-SFHVURJKSA-N 484.887 4.464 5 40 JIBB COc1cc(NC(=O)CSc2n[nH]c(-c3ccc(Cl)cc3Cl)n2)ccc1[N+](=O)[O-] 408553805 BYCFWAAJKRSLSB-UHFFFAOYSA-N 454.295 4.426 5 40 JIBB COc1cccc(C(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408682951 KJOGJEBPPOYUHQ-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 409222861 FEYKMZCMLRLTEY-FRKPEAEDSA-N 465.846 4.071 5 40 JIBB Cc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3cccc([N+](=O)[O-])c3)c(=O)[nH]c2c1 6409734 DYOZYRKBTKLHMN-UHFFFAOYSA-N 463.515 4.136 5 40 JIBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)Nc2ccccc2Sc2ccccc2)C1=O 9982200 GTSUCWMXJFZJLX-DEOSSOPVSA-N 476.514 4.152 5 40 JIBB CCCCn1/c(=N\C(=O)c2ccc(C)c(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101124277 FXLDQFUDVRKZHO-JVCXMKTPSA-N 486.572 4.292 5 40 JIBB CCCN1C(=O)S/C(=C\c2ccc(OS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)C1=O 409364063 WEFKTSYKMQMLCZ-WQRHYEAKSA-N 462.505 4.117 5 40 JIBB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702715 TYDKFVHFFZOWOT-AZUAARDMSA-N 451.504 4.377 5 40 JIBB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9140318 RXKLAROGSLBTPD-GJZGRUSLSA-N 458.898 4.426 5 40 JIBB Cc1cc(-c2nc(-c3ccc(NC(=O)Cn4cc([N+](=O)[O-])cn4)cc3)no2)c2ccccc2n1 12445687 IXEUVSBYJOFOCG-UHFFFAOYSA-N 455.434 4.004 5 40 JIBB CNc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccccc2Sc2ccccc2)cc1[N+](=O)[O-] 32958155 AIFLRQJOMUIQLW-UHFFFAOYSA-N 486.575 4.047 5 40 JIBB CS(=O)(=O)N(Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1)c1cccc([N+](=O)[O-])c1 224821161 WZSFCOXZAXRIOE-UHFFFAOYSA-N 487.965 4.187 5 40 JIBB COc1ccc(C(=O)C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408682125 IXSVWVOTOIJPIW-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB COc1cccc(C(=O)C[C@H](C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408690060 ZMIZRSFUZTTYOO-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409143449 CBEQDJLMIUACCE-INIZCTEOSA-N 482.566 4.045 5 40 JIBB CCn1cc(NC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)c(C(=O)Nc2ccccc2)n1 2809515 DJXNZOFZRXJRIY-UHFFFAOYSA-N 493.911 4.214 5 40 JIBB O=[N+]([O-])c1cccc(OC[C@@H](O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 96125822 SOKTVMLAXPZXTQ-DEOSSOPVSA-N 483.515 4.020 5 40 JIBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 408660199 WKVDPPCPNQXUGS-IBGZPJMESA-N 474.469 4.475 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408686878 SNOIHSWLRHLNAA-VQTJNVASSA-N 498.333 4.256 5 40 JIBB Cc1ccc(S(=O)(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409180599 XUAHVKJNJPEPQB-XMMPIXPASA-N 467.499 4.234 5 40 JIBB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc([N+](=O)[O-])cc3s2)cc1 3187508 ACBBIZNFRDDQCF-UHFFFAOYSA-N 468.516 4.282 5 40 JIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125292 WWIWPDUIGWNLBH-UHFFFAOYSA-N 473.917 4.109 5 40 JIBB Cc1ccc(NC(=O)CN2CCCN(c3ncc(C(F)(F)F)cc3Cl)CC2)cc1[N+](=O)[O-] 12848508 DURLZCHFYCYYJM-UHFFFAOYSA-N 471.867 4.121 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13541231 QHZSRBHYUUQZRB-DUOVIKOCSA-N 486.553 4.117 5 40 JIBB CC(C)(C)c1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 16323100 AAZZKLCGCIUDPQ-UHFFFAOYSA-N 460.987 4.383 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 43730809 ATVUZALRHOXQDW-PWAGRJGVSA-N 496.445 4.384 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)COc3ccc([C@@H](C)CC)cc3)CC2)c([N+](=O)[O-])c1 408572553 JVOHALSRZSXDDN-SFHVURJKSA-N 469.538 4.013 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408649932 LUSQKYHYBWAENE-SORVUCRQSA-N 497.935 4.298 5 40 JIBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 997004 SVIMZWDLHAUPNE-JTQLQIEISA-N 499.387 4.252 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(S(=O)(=O)N2CCCCC2)c(Cl)cc1Cl 8448948 GWGRGIBZRYWBIO-UHFFFAOYSA-N 458.323 4.329 5 40 JIBB O=C(Nc1ccccc1C(=O)OCc1nc2ccsc2c(=O)[nH]1)c1ccc([N+](=O)[O-])cc1Cl 9634862 WVUWVCXXISDDMS-UHFFFAOYSA-N 484.877 4.156 5 40 JIBB COc1ccc([C@@H](c2nnnn2C2CCCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13503765 YHDQPPJAJPBLNM-DEOSSOPVSA-N 477.569 4.007 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccccc3[N+](=O)[O-])C2=O)cc1 102760057 XXIMKWSBZNDJIM-KMDXXIMOSA-N 473.485 4.435 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 106746636 NZTNQICAEFLWJW-ZDLGFXPLSA-N 487.490 4.169 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@@H]1CCCN12 408569803 XYYPGRIXRFTLRT-FCRYVSRXSA-N 473.504 4.459 5 40 JIBB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1OCC(=O)Nc1cccc([N+](=O)[O-])c1 408626219 VBROSKYTGDTPII-UHFFFAOYSA-N 481.530 4.062 5 40 JIBB COc1c(NC(=O)c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3OC)c2)cccc1[N+](=O)[O-] 1739850 UXJDDPLWHHFDSB-UHFFFAOYSA-N 466.406 4.025 5 40 JIBB O=C1[C@@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 9056351 ZPZKWWDBBHMJLQ-YQORSWRPSA-N 475.298 4.498 5 40 JIBB biogenic CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(CCCC(C)C)C2=O)[C@@H]1CCC 9266655 BJPAWWLVUIONIF-SQJMNOBHSA-N 472.586 4.427 5 40 JIBB COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2sc3c([N+](=O)[O-])cccc3c2Cl)c1 12843648 FFKVAVACARKLAT-UHFFFAOYSA-N 488.953 4.254 5 40 JIBB CCc1ccc(CC)c(CNC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 225881043 QXZDFTVHCHMTJP-UHFFFAOYSA-N 481.574 4.231 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1C 408678646 UHLKBEKYZRIFAG-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB CCCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409245353 RISFYSXFQUZKDG-GZTJUZNOSA-N 460.284 4.239 5 40 JIBB Cc1c(Cl)cccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-] 833461 UOWJDXQOGFBOMO-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB O=C1OC(c2ccc3c(c2)OCO3)=N/C1=C/c1cccc(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1 3011711 XIOGXVMJAYJDJN-RQZCQDPDSA-N 475.369 4.369 5 40 JIBB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 6544933 FKCBVYMNDHGFMJ-GOSISDBHSA-N 461.883 4.331 5 40 JIBB Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=c2\sc3nc4ccccc4n3c2=O)cc1C 9044597 KGUSQVKSLOIYNR-IWIPYMOSSA-N 487.537 4.440 5 40 JIBB CCN(CC)c1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 12532759 ZDJRCMVUCANVHF-UHFFFAOYSA-N 455.540 4.140 5 40 JIBB COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 26539948 KFHPUVSFMWLXJA-MRXNPFEDSA-N 481.452 4.088 5 40 JIBB O=C1c2cccc3c(Nc4ccc(Br)cc4)c([N+](=O)[O-])cc(c23)C(=O)N1CCCO 39929438 PDRQFNUZJOCDON-UHFFFAOYSA-N 470.279 4.233 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100634062 YTBKTEVAVYLOSN-QRVBRYPASA-N 455.879 4.361 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 138788708 BEHYGHQLYWVBFM-HKUYNNGSSA-N 498.333 4.256 5 40 JIBB CCOc1ccccc1-c1nnc(SCC(=O)Nc2ccc([N+](=O)[O-])c(OC)c2)n1CC 408555506 HBRNCYMPUTUGNY-UHFFFAOYSA-N 457.512 4.011 5 40 JIBB O=C(CN1C(=O)c2ccc([N+](=O)[O-])cc2C1=O)Nc1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 8833655 NSOXFBJRXDHFKD-UHFFFAOYSA-N 475.848 4.026 5 40 JIBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)scc12 9381338 UNEIFNRUEJOGQU-UHFFFAOYSA-N 498.904 4.438 5 40 JIBB Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)nc12 13643728 KJFLIKIJUZWQPZ-MRXNPFEDSA-N 478.603 4.072 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@H]3C2=O)c1 101217290 YBVDIFBWHOGWLW-FSSWDIPSSA-N 479.876 4.308 5 40 JIBB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224485803 BNYAFBYBXOCIRT-LJQANCHMSA-N 457.596 4.060 5 40 JIBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 10646069 LNYPEGPHLONTFU-FQEVSTJZSA-N 466.586 4.313 5 40 JIBB CS(=O)(=O)c1ccc(Sc2ncc(-c3ccccc3)n2C[C@H]2CCCO2)c([N+](=O)[O-])c1 14314709 SIRBHIXBEQCAIO-MRXNPFEDSA-N 459.549 4.192 5 40 JIBB Cc1cc(Br)cc(C)c1NC(=O)c1cccn(OCc2cccc([N+](=O)[O-])c2)c1=O 17011047 MTWXJDSTDQVXOU-UHFFFAOYSA-N 472.295 4.017 5 40 JIBB CCCn1nc2ccccc2c1P(=Nc1ccc([N+](=O)[O-])cc1)(N1CCOCC1)N1CCOCC1 25501882 GXXHKSWNMFJSOR-UHFFFAOYSA-N 498.524 4.007 5 40 JIBB CCN1CCC[C@@H]1CN[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 35526407 CLVSVGQDKQQGML-XLIONFOSSA-N 461.360 4.111 5 40 JIBB Cc1ccc(C(=O)[C@H](C)N(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408657048 TXZRPNAKPABDMU-HNNXBMFYSA-N 491.887 4.481 5 40 JIBB Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc([N+](=O)[O-])cc1 13424049 JNUWLJXLSTZDEG-UHFFFAOYSA-N 452.521 4.245 5 40 JIBB Cc1cc(C)cc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16268958 CDULRGWKGFSLMB-UHFFFAOYSA-N 466.485 4.067 5 40 JIBB CCOc1ccc(N(Cc2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc3c(c2)OCCO3)cc1 27915209 FXOXYSOXVKGDQD-UHFFFAOYSA-N 470.503 4.160 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccc([N+](=O)[O-])cc3OC)cc2)cc1 13936400 GAAUMIZQWBOPPT-UHFFFAOYSA-N 488.547 4.222 5 40 JIBB CC[C@@H](CNC(=O)c1ccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)cc1)c1ccccc1 16498353 QMSCRSGFTKKKGQ-INIZCTEOSA-N 469.519 4.025 5 40 JIBB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3C)cc2s1 22564314 DMNUPAACBBYKAU-UHFFFAOYSA-N 457.537 4.378 5 40 JIBB O=C(CSc1nnc(-n2cccc2)n1-c1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1 28534884 HWYVQPRWVBKFMP-UHFFFAOYSA-N 454.899 4.350 5 40 JIBB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225424586 MKFNVGNBMFIOJA-QFIPXVFZSA-N 457.596 4.204 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408689493 YHIAWOUJFQDALC-ROUUACIJSA-N 474.300 4.410 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)C1=O)N1CCc2ccccc2C1 409355380 BSGRELASSYOZMO-LPYMAVHISA-N 489.509 4.476 5 40 JIBB Cc1nc(N2CCCCC2)sc1C(=O)c1ccc(N2CCN(c3ccccn3)CC2)c([N+](=O)[O-])c1 9490937 FROGVJOHGRKTLM-UHFFFAOYSA-N 492.605 4.303 5 40 JIBB Cc1cccc(N(Cc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)S(C)(=O)=O)c1 10336636 GWDALEGTWKVQCK-UHFFFAOYSA-N 453.520 4.430 5 40 JIBB O=C(Nc1c(Br)cc([N+](=O)[O-])cc1Br)C(=S)NCCc1ccccc1 12376319 NRPXNMYMFIPFPJ-UHFFFAOYSA-N 487.173 4.218 5 40 JIBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](Nc1ccc(F)c(Cl)c1)C(Cl)(Cl)Cl 12564775 SRJBOQICQDJGJK-ZDUSSCGKSA-N 489.118 4.427 5 40 JIBB COc1cc(NC(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)cc1[N+](=O)[O-] 12635169 QJIBILZWUOLSMR-UHFFFAOYSA-N 453.524 4.160 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19820704 LAGCNVVLOOVMAM-DNQXCXABSA-N 484.512 4.303 5 40 JIBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 35808534 ATVUZALRHOXQDW-WPSZSDGUSA-N 496.445 4.384 5 40 JIBB CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1[N+](=O)[O-] 57327809 RMSARDLDACHBBG-UHFFFAOYSA-N 477.502 4.001 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 217430826 BZSCIBJFJDDIMP-HBMCJLEFSA-N 494.847 4.208 5 40 JIBB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C 223360584 BOYFJEGWDHZJCR-QZTJIDSGSA-N 491.610 4.376 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408685214 PASMUZADJBVSTE-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB O=c1/c(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)sc2nc3ccccc3n12 408903727 XONAYYOQPNEMOT-QRVIBDJDSA-N 452.495 4.368 5 40 JIBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCc1ccc([N+](=O)[O-])cc1 409176429 MZXYWEAXQCTUIA-UHFFFAOYSA-N 466.833 4.414 5 40 JIBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@@H]1CCCO1)Nc1ccccc1Cl 876186 NHWYZSMZHRWVIA-INIZCTEOSA-N 473.942 4.417 5 40 JIBB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1cc([N+](=O)[O-])cc2c1OCOC2 3307512 ZTKDSDRMXGXXQG-AWEZNQCLSA-N 490.513 4.271 5 40 JIBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)CC1 8904435 HSTJUZPODQTLPE-MDZDMXLPSA-N 456.930 4.205 5 40 JIBB Cc1c([N+](=O)[O-])cccc1S(=O)(=O)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12525850 HOBHXIRQVXFBQP-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4)c(=N)n(Cc4ccccc4Cl)c3nc12 13758866 SBHIQOPZWHIKNM-UHFFFAOYSA-N 483.959 4.069 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 13787060 WBNRSNDIXOEGFN-ACRUOGEOSA-N 494.301 4.408 5 40 JIBB CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13845319 NWOGQQPSURXVPH-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57471005 RXRBOMQDQNOSSU-MRXNPFEDSA-N 453.930 4.254 5 40 JIBB COC(=O)c1cc(C(=O)Oc2ccc(N(C)S(=O)(=O)c3ccc(C)c(C)c3)cc2)cc([N+](=O)[O-])c1 89643245 VXBHMPJRNINHGJ-UHFFFAOYSA-N 498.513 4.043 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408681309 HRZNAQVYSOPGAX-DKSSEZFCSA-N 455.898 4.227 5 40 JIBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=S)NC(C)(C)C)CC2 2718174 MDWKMHJGZVICHF-LJQANCHMSA-N 459.568 4.263 5 40 JIBB O=C(NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Cl)c(Cl)c1 9662033 SWMWJKIDXMHJMY-SXGWCWSVSA-N 466.302 4.368 5 40 JIBB Cc1cccn2c(=O)c3cc(C(=O)NC4CCCCC4)c(=N)n(Cc4ccccc4Cl)c3nc12 13514311 NFDJEPWGFPSRIJ-UHFFFAOYSA-N 475.980 4.201 5 40 JIBB CSc1nc2n(n1)[C@@H](c1cccc([N+](=O)[O-])c1)C(C(=O)Nc1ccc(Cl)cc1)=C(C)N2 17243224 LJPPXNZRJUZKLD-KRWDZBQOSA-N 456.915 4.489 5 40 JIBB Cc1c([N+](=O)[O-])c(C)c(S(=O)(=O)c2c(C)c([N+](=O)[O-])c(C)c([N+](=O)[O-])c2C)c(C)c1[N+](=O)[O-] 104141412 MININHRLUVIFSX-UHFFFAOYSA-N 482.427 4.003 5 40 JIBB Cc1cc(-c2ccc(/C=c3\sc4nc5cc(Br)cnc5n4c3=O)o2)ccc1[N+](=O)[O-] 197697684 IJHUYKAZNHWAOR-IUXPMGMMSA-N 483.303 4.091 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(CSCc2ccc(F)cc2)n1C 409359450 JMGUEILIPRPDSH-UHFFFAOYSA-N 461.544 4.335 5 40 JIBB Cc1nn([C@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731401 IOZJGYASIOKETR-LLVKDONJSA-N 462.898 4.341 5 40 JIBB O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NCc1ccccc1 2968106 JDLNOCOEJKKZTK-QFIPXVFZSA-N 499.552 4.193 5 40 JIBB COc1cccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 12461788 CWNIRMUBMNYGIX-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB COc1ccc([C@@H]2c3sc(S)nc3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]32)cc1 137974166 JVDKEMULXKCWNZ-YQQAZPJKSA-N 485.568 4.144 5 40 JIBB S=C(Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4)N1CCN(c2ccccc2)CC1 408996185 OPIXTFBEYNQLOY-UHFFFAOYSA-N 457.559 4.073 5 40 JIBB Cc1cc(C)cc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 409157360 IWLSOEJCIQGMFW-HXUWFJFHSA-N 482.566 4.188 5 40 JIBB O=C(CSc1nnc2ccc(-c3cccc([N+](=O)[O-])c3)nn12)Nc1cccc(C(F)(F)F)c1 9240833 BHNYHCXBGVGCSN-UHFFFAOYSA-N 474.424 4.449 5 40 JIBB COc1ccc([C@@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])N2CCOCC2)cc1OC 12509358 GHJLXKGNLDKNFF-XMMPIXPASA-N 491.544 4.328 5 40 JIBB O=C1OC(c2cccs2)=N/C1=C\C1=C(N2CCOCC2)/C(=C/c2cccc([N+](=O)[O-])c2)CC1 12576747 KJOWNOUBRYJKKF-JMHCGQEMSA-N 463.515 4.307 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCCC3 13388751 NMIQHPACAXVJJH-LBPRGKRZSA-N 458.565 4.210 5 40 JIBB CCN1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2[N+](=O)[O-])CC1 72229233 BNHIHUHGINYYNJ-UHFFFAOYSA-N 467.751 4.405 5 40 JIBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 100852872 FCBMYJPMGQJIJY-CTNGQTDRSA-N 491.301 4.140 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O 205781272 RFFCKKPXHBWTLZ-LZYBPNLTSA-N 450.856 4.496 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc12 222833375 ITAMEZWGNJGVAB-UHFFFAOYSA-N 475.526 4.260 5 40 JIBB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224090455 ASDKMASHUINREO-OAHLLOKOSA-N 476.371 4.232 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(Cl)c1 408663173 GVBWBEOTLHGGAB-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)N1CCc2ccccc2C1 409347225 NHQKRQCFJCXACW-HMAPJEAMSA-N 488.525 4.007 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 409392949 UEABTYIVZUDOAT-UHFFFAOYSA-N 481.530 4.062 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@@H]1CCCO1 2256045 SNILJMCHJBQRJI-INIZCTEOSA-N 465.435 4.481 5 40 JIBB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 11867486 YWTSSPZWRGWPPK-OAQYLSRUSA-N 465.527 4.226 5 40 JIBB Cc1cc(I)ccc1NC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 13149788 DFLYCFRSZZPESE-UHFFFAOYSA-N 495.302 4.040 5 40 JIBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)cccc1[N+](=O)[O-] 13681773 VWEHOMJXFQVYRI-CQSZACIVSA-N 486.377 4.391 5 40 JIBB CCc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc(C)c([N+](=O)[O-])c3)o2)C1=O 409237580 AAYQYGPABGNYSM-DEDYPNTBSA-N 474.473 4.257 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2OC)cc1 3323142 WMDCXSRVDINHAH-KRWDZBQOSA-N 499.545 4.225 5 40 JIBB CN(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 9062412 XULZBNKCNIGBHN-UHFFFAOYSA-N 472.461 4.215 5 40 JIBB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20611587 FHMLKUUSILABCL-UHFFFAOYSA-N 475.343 4.046 5 40 JIBB Cc1ccc(Cl)cc1N1CCN(CC(=O)Nc2ccc([N+](=O)[O-])cc2Br)CC1 58160383 GXZDKEKMLMRTBO-UHFFFAOYSA-N 467.751 4.080 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 139056870 JBLBJKBOBKREMK-HZPDHXFCSA-N 474.300 4.410 5 40 JIBB CC(=O)Nc1cccc(-c2nc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)n[nH]2)c1 408675395 XSSPIPFIZNQOTL-UHFFFAOYSA-N 476.312 4.076 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408704069 XEBWVLLDHIQSSP-UHFFFAOYSA-N 451.932 4.374 5 40 JIBB O=[N+]([O-])c1cc(Cl)ccc1N1CCN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)CC1 27505179 AZVPDHIQFMPDHX-UHFFFAOYSA-N 471.974 4.152 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 408622941 QHORCYIPNOFCQT-CAZKKTPXSA-N 475.844 4.033 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408679792 FIASEAXCBRLMJD-USEHDAJUSA-N 488.327 4.490 5 40 JIBB COc1ccc(NC(=S)N[C@H](NC(=O)c2cccc(C)c2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 3158353 MAXYDUPURPMMBM-INIZCTEOSA-N 491.784 4.325 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9714330 GZXKFYJRFFNXRH-UHFFFAOYSA-N 487.563 4.095 5 40 JIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 10855229 ZGTRPOKRCKTWRM-UHFFFAOYSA-N 460.943 4.016 5 40 JIBB COc1cc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(C)cc1[N+](=O)[O-] 16043754 OROUQXBFHCJVKV-UHFFFAOYSA-N 490.545 4.344 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 225433935 NEMWWFXPRITYRQ-UHFFFAOYSA-N 483.546 4.439 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408575355 WARAJLZLQPAGLZ-AHNGBTAHSA-N 491.519 4.372 5 40 JIBB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3cccc([N+](=O)[O-])c3C)s2)c1 9368275 OROPTGWNLKJMBG-UHFFFAOYSA-N 457.537 4.355 5 40 JIBB Cc1csc(Sc2ccc(C(=O)NCC(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])n1 9439799 FZJMFRCHXCENKH-UHFFFAOYSA-N 482.465 4.297 5 40 JIBB COc1ccc(C(=O)NCCCCCC2=C([N+](=O)[O-])[C@@H](c3ccc(Cl)cc3)NC(=O)N2)cc1 9562705 OVCLQESUVXEUBA-HXUWFJFHSA-N 472.929 4.181 5 40 JIBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccccc3[N+](=O)[O-])cc2)CC1 21579820 HRKUPPIMLIMLDY-UHFFFAOYSA-N 494.935 4.472 5 40 JIBB CCOc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 22247464 MVSUPLDNUXVMDG-QFIPXVFZSA-N 497.573 4.139 5 40 JIBB CCOc1cc(C(=O)N(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)c([N+](=O)[O-])cc1OC 40135107 DCGMLJOBJKLJFH-UHFFFAOYSA-N 456.474 4.236 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565729 LYNGNBDBJFUGOW-NIDLKEISSA-N 463.921 4.441 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408679302 DRSLBRRZRQVDPA-LJHODMEESA-N 455.898 4.227 5 40 JIBB Cc1cc(C)cc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409135083 QYDYXUCUGZEGCM-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O 409212983 SSLGTWRFSSQDSH-WOJGMQOQSA-N 460.464 4.243 5 40 JIBB COc1cccc(N2CCN(C(=O)c3ccc4c(c3)nc(S)n3c5ccccc5nc43)CC2)c1 2959570 KPPGVCWPXRGOIZ-UHFFFAOYSA-N 469.570 4.295 5 40 JIBB O=C(CSc1nnc(COc2ccc(Br)cc2)o1)Nc1ccc([N+](=O)[O-])cc1 8435606 KRBQRGLGEUMKOQ-UHFFFAOYSA-N 465.285 4.050 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(CCc3ccccc3)C2=O)[C@@H]1CCC 9089788 DKWKOZZKOLAJTN-WNCULLNHSA-N 492.576 4.234 5 40 JIBB COc1cc(C(=O)NC[C@H](O)c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccc(Cl)cc1 12779794 YDTFCLZMXRTMOK-FQEVSTJZSA-N 456.882 4.299 5 40 JIBB CC(C)N(CCNS(=O)(=O)c1ccc(NCc2cccc(Cl)c2)c([N+](=O)[O-])c1)C(C)C 13040363 ZTINTMUJDASECJ-UHFFFAOYSA-N 469.007 4.257 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20519205 MRLJKSAARPAOIB-DUOVIKOCSA-N 471.538 4.414 5 40 JIBB Cc1c(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cccc1[N+](=O)[O-] 32116504 NHMKTSIWMKOHFA-UHFFFAOYSA-N 489.145 4.261 5 40 JIBB O=C(CSc1nnc2n3ncnc3c3c4c(sc3n12)CCCC4)Nc1cccc(Cl)c1 2419356 IGOHIXDHYMMQFB-UHFFFAOYSA-N 469.983 4.250 5 40 JIBB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 9415389 YKCORAJKDQJRES-IBGZPJMESA-N 478.530 4.365 5 40 JIBB COc1c(Br)cc(Br)cc1/C=C1\N=C(c2ccc([N+](=O)[O-])cc2)OC1=O 13925568 BAVXXBQFIDWZJU-AUWJEWJLSA-N 482.084 4.473 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CCc1ccccc1)CC(=O)Nc1cccc([N+](=O)[O-])c1C 408620042 JGXSRJVWBBQGMH-UHFFFAOYSA-N 497.573 4.092 5 40 JIBB Cc1cc(C(=O)Cn2cnc3cc([N+](=O)[O-])ccc3c2=O)c(C)n1Cc1ccccc1Cl 3433158 YJXOYNRMXYYSHH-UHFFFAOYSA-N 450.882 4.308 5 40 JIBB CS(=O)(=O)c1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1[N+](=O)[O-] 3449105 WASKSRWNLHKGLQ-QHCPKHFHSA-N 478.482 4.261 5 40 JIBB CC(=O)Nc1ccc(-n2ccc3nc4ccn(-c5cc(C)ccc5C)c(=O)c4cc3c2=O)cc1 40398737 GBMVTHMLPXWPGQ-UHFFFAOYSA-N 450.498 4.265 5 40 JIBB C[C@H](C(=O)Nc1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62398112 YEUWADZQFMDDCW-OAHLLOKOSA-N 484.354 4.055 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc([N+](=O)[O-])c1O 409170367 VODRIFOSFACHRD-SXGWCWSVSA-N 477.882 4.028 5 40 JIBB COc1ccc(CCn2c(-c3ccc(OC)cc3)nc3oc4ccccc4c(=O)c3c2=O)cc1 2232890 JXQNHRCWRLMHDR-UHFFFAOYSA-N 454.482 4.430 5 40 JIBB CCCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccc(OC)c(OC)c4c(=O)n2c13 8792224 ZHPVTSKZTUDGDM-HNNXBMFYSA-N 473.529 4.293 5 40 JIBB biogenic CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 12546939 VBLLNHYTKDSNHN-STQMWFEESA-N 499.442 4.350 5 40 JIBB CC(C)(C)NS(=O)(=O)c1ccc(Sc2nnc(C3CC3)n2-c2ccccc2)c([N+](=O)[O-])c1 22420382 JWRDGCUVBWMQPP-UHFFFAOYSA-N 473.580 4.281 5 40 JIBB COc1ccc([C@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1[N+](=O)[O-] 22633852 OQCBDXCYMZRRAE-NRFANRHFSA-N 450.520 4.077 5 40 JIBB Cc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3cccc([N+](=O)[O-])c3)nc12 22998719 KAHYRVKBUFCMPC-UHFFFAOYSA-N 460.943 4.145 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)o1 106756504 VYXCMIWCPMVIFU-UNOMPAQXSA-N 455.492 4.212 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223326157 JQJLDLXKSROAEC-IRBZQWRBSA-N 480.546 4.410 5 40 JIBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224277595 ZZMHDCKAOXFQGG-JOCHJYFZSA-N 483.565 4.157 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCCN12 408569799 XYYPGRIXRFTLRT-BGBNXGLDSA-N 473.504 4.459 5 40 JIBB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2204165 IGGSTPUDZLJTTJ-IBGZPJMESA-N 481.442 4.123 5 40 JIBB O=C(CNC(=O)c1ccc(Cl)cc1Cl)NCC(=O)OCc1nc2ccccc2c2ccccc12 9223797 QCGMUGKCPCUINJ-UHFFFAOYSA-N 496.350 4.284 5 40 JIBB CCOc1ccc(NC(=O)CN(C)C(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1OCC 9285761 ACHIHCYKKIAJKD-UHFFFAOYSA-N 498.580 4.483 5 40 JIBB Cc1cc(C(=O)CN(C)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c(C)n1Cc1cccs1 13134933 BNBSZBPKYKQPFV-UHFFFAOYSA-N 481.983 4.280 5 40 JIBB COc1ccc(S(=O)(=O)NC(C)C)cc1NC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 19934579 QBNLEIDJFNKUKK-PXLXIMEGSA-N 495.557 4.469 5 40 JIBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(C)S(=O)(=O)c1ccccc1 224818060 CDZWKYVRCDJTOI-UHFFFAOYSA-N 483.546 4.375 5 40 JIBB CCOc1c(I)cc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1OC 408618833 HBGJXTADECKQSV-UHFFFAOYSA-N 456.236 4.167 5 40 JIBB O=[N+]([O-])c1cc2nc(Nc3cccc(C(F)(F)F)c3)c(N3CCOCC3)nc2cc1[N+](=O)[O-] 408721688 LAXWHOPLSFFYET-UHFFFAOYSA-N 464.360 4.045 5 40 JIBB Cc1cc(NC(=O)CSc2nnc(-c3cccc([N+](=O)[O-])c3)n2C)ccc1Br 409149269 ZZFDSLKZYDIPCP-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3270578 SQDBJQKGHPXMSB-CQSZACIVSA-N 480.502 4.496 5 40 JIBB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 8952586 FPFQVQKYBIUHDQ-FZMZJTMJSA-N 476.363 4.414 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 13591270 RBLWCUVGSDSBKF-HXUWFJFHSA-N 495.553 4.259 5 40 JIBB Cc1ccc(C(=O)OCCCNC(=O)COc2ccc3c(oc(=O)c4ccccc43)c2C)cc1 13592484 RLMHRKQJDNQNRW-UHFFFAOYSA-N 459.498 4.305 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1NNC(=S)NC1CCCCC1 14360195 HDNUSUMZUUDJDZ-UHFFFAOYSA-N 484.003 4.173 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)c(C)c1 14411784 VSVLQUQELLHVLO-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408682222 JFXKWNJVCURKDN-USEHDAJUSA-N 486.311 4.266 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408689858 ZGDBBSPXJTVLIO-UAOJZALGSA-N 455.898 4.227 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1 409125887 AIELFTXICDIFQR-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB CCOc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 3182132 YTSCAOYAJZWGBL-XNTDXEJSSA-N 471.469 4.294 5 40 JIBB COc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 6157276 VVMSQYDTQYPEBA-UHFFFAOYSA-N 468.520 4.038 5 40 JIBB COc1cc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc([N+](=O)[O-])c1 9340334 WCBQWPDDDUZTSL-CZUORRHYSA-N 451.361 4.306 5 40 JIBB COc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 14278745 KGUINCMCIOXHGR-UHFFFAOYSA-N 482.518 4.006 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 408685453 PMLKLKVNAFRYSZ-HEFCMCLBSA-N 453.882 4.003 5 40 JIBB S=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccc2nc3cc4c(cc3nc2c1)OCCO4 409001676 QFTLHOORXPXHND-UHFFFAOYSA-N 473.558 4.200 5 40 JIBB COc1ccc(Cn2c(-c3ccc(OC)cc3)nc3oc4cc(OC)ccc4c(=O)c3c2=O)cc1 2225527 DYYYOJIQYFIAIX-UHFFFAOYSA-N 470.481 4.244 5 40 JIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccc(S(=O)(=O)N(C)C4CCCC4)cc3)nc12 10220614 DBUYOKGAVAOSER-UHFFFAOYSA-N 490.563 4.029 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccccc1C(F)(F)F 20239113 HWISXCXSSFDRRC-UHFFFAOYSA-N 479.436 4.448 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 35165693 DNHIPCVCHGGQRF-DAHKTCFSSA-N 497.507 4.232 5 40 JIBB O=C(c1ccccn1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 35166413 GCLPWRIKMNFDHZ-DUOVIKOCSA-N 472.476 4.037 5 40 JIBB C[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57470998 CGVPLADDTYHPFF-AWEZNQCLSA-N 457.893 4.085 5 40 JIBB C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62408717 LQVYTMKTIVJIJW-HNNXBMFYSA-N 473.455 4.311 5 40 JIBB CCOc1cc([C@@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@H]2CCCO2)cc(Cl)c1OC 109046986 JVECPFSADRJXID-NQSCKRDGSA-N 476.913 4.165 5 40 JIBB Cc1cc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)ccc1[N+](=O)[O-] 1313221 BNXYEIRYOAQCKB-UHFFFAOYSA-N 450.520 4.179 5 40 JIBB O[C@@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1 3171182 ZNLWJUXDWGDGPH-SHQCIBLASA-N 492.592 4.043 5 40 JIBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 8904416 YYXLNWNJXKVNSP-UHFFFAOYSA-N 499.999 4.405 5 40 JIBB CCOc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C 22247461 KIVFYSORQSIWQH-HSZRJFAPSA-N 497.573 4.139 5 40 JIBB COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OC/C=C\c2ccccc2)[C@H]1c1cccc([N+](=O)[O-])c1 31261360 KJEBULYHNRNJTE-NZVDAZKMSA-N 492.528 4.276 5 40 JIBB COc1ccc(CCN2C(=O)[C@@H](Oc3cccc([N+](=O)[O-])c3)[C@@H]2c2cccc(OC)c2OC)cc1 48288857 VWKISBAGGMTQLY-ZCYQVOJMSA-N 478.501 4.194 5 40 JIBB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 1887015 INKVICJKSWKBDQ-INIZCTEOSA-N 454.851 4.264 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccccc1OC 2416287 UFOYXNSCIYNSNM-UHFFFAOYSA-N 457.534 4.086 5 40 JIBB NC(=O)C1CCN(C(=O)c2ccc3c(c2)nc(SCc2ccncc2)n2c4ccccc4nc32)CC1 2970659 HEKHBDFTJPHLRI-UHFFFAOYSA-N 496.596 4.061 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H](C(=O)c1ccccc1)N1c3ccccc3C=C[C@H]21 8836926 HWJLUUFLOUQPQJ-DFXJHMEVSA-N 479.492 4.176 5 40 JIBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1cccnc1Cl 9633429 IASXGQKLNHJNJT-UHFFFAOYSA-N 489.271 4.344 5 40 JIBB CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H](C)c1nc(C(C)(C)C)no1 12775465 RBJUWXYSUQIABV-ABAIWWIYSA-N 484.962 4.085 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2cccs2)CC1 12862976 DDSOWVHBITWZIR-HSZRJFAPSA-N 499.614 4.271 5 40 JIBB COc1ccc(CSc2nnc3n4ncnc4c4c5c(sc4n23)COC(C)(C)C5)cc1 13811486 FOZGNWJDSSYLCD-UHFFFAOYSA-N 452.565 4.139 5 40 JIBB CCn1c(CC(=O)Nc2cccc(C(F)(F)F)c2)nnc1SCC(=O)c1cccc([N+](=O)[O-])c1 13955945 UZMNMVATWRTYFI-UHFFFAOYSA-N 493.467 4.381 5 40 JIBB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc([N+](=O)[O-])ccc3n2CC)cc1 100821186 MTZHXAIYSXAINC-FCQUAONHSA-N 490.607 4.183 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@H]2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 101235933 DTWVLULITKZTEH-RBBKRZOGSA-N 460.877 4.339 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccccc1F 1845382 GGOZMXAYBIGQCY-OZXSUGGESA-N 484.487 4.100 5 40 JIBB biogenic COC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2cccc([N+](=O)[O-])c2)S1 1846049 XAEHVNPLWDPAMM-OAQYLSRUSA-N 470.532 4.320 5 40 JIBB Cc1cccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)c1C 14412738 SPZOVWYWDOJNJA-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1Cc1ccccc1 18176856 PXLWIKFINSBTIF-VSKRKVRLSA-N 463.877 4.295 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C1=O)Nc1ccc2c(c1)OCO2 409154604 KMKSHQFKVDYJRN-KEBDBYFISA-N 493.453 4.259 5 40 JIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)cc1 3296986 CVWHGFNYTOUMCJ-NRFANRHFSA-N 497.956 4.496 5 40 JIBB Cc1cc(C(=O)OCCN(C2=NS(=O)(=O)c3ccccc32)c2ccccc2Cl)ccc1[N+](=O)[O-] 3583437 ABMGQSCZVIGJOH-UHFFFAOYSA-N 499.932 4.369 5 40 JIBB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8835534 GKYKVWMZSDCPRO-UHFFFAOYSA-N 488.875 4.230 5 40 JIBB CCCOC(=O)c1cc(NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1N1CCOCC1 9907837 NWNMFXMKMAEUBR-UHFFFAOYSA-N 496.564 4.241 5 40 JIBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 62569372 TYCVEVYEXSCICC-IBGZPJMESA-N 474.439 4.048 5 40 JIBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224674136 GSUUHOXRIPBKEO-QGZVFWFLSA-N 473.570 4.443 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(F)cc1 408588940 XHOXUKFVAXVFFG-UHFFFAOYSA-N 487.509 4.193 5 40 JIBB O=C(CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1)Nc1cccc([N+](=O)[O-])c1 409024634 LMARIYIWPSAEIE-UHFFFAOYSA-N 479.436 4.448 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409131129 MAFHTFKRWNLQEA-INIZCTEOSA-N 482.566 4.045 5 40 JIBB CCc1ccccc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccccc1 409301085 DDABJCSZUNCGIB-UHFFFAOYSA-N 453.520 4.300 5 40 JIBB COc1cc2c(=O)[nH]c3c(C(=O)OCc4ccccc4)c4nc5ccccc5nc4n3c2cc1OC 6143819 LIPBALHASHQIGD-UHFFFAOYSA-N 480.480 4.251 5 40 JIBB COc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1[N+](=O)[O-] 8816590 VKXQAZMISXNRAG-UHFFFAOYSA-N 482.349 4.114 5 40 JIBB Cc1ccc([C@@H](NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)C2CC2)cc1 11233998 ZTFVZCZEQYYNRL-JOCHJYFZSA-N 491.997 4.225 5 40 JIBB C[C@@H](OC(=O)c1ccccc1I)c1nnc(-c2ccc([N+](=O)[O-])cc2)o1 12898356 DFZNYZZSTQNPEF-SNVBAGLBSA-N 465.203 4.167 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408590999 HRHLFTBOAJVYDJ-LJQANCHMSA-N 494.356 4.430 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408686873 SNKMHSSPLQNFMW-GASCZTMLSA-N 474.300 4.410 5 40 JIBB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409331499 FXTJHZJWFNBGBY-JOCHJYFZSA-N 469.494 4.106 5 40 JIBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OCc1ccc(Br)cc1 409335263 ZXCOLNMUHNQLHM-WEVVVXLNSA-N 474.267 4.317 5 40 JIBB COc1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc2ccccc2c1=O 9128189 FAJPOUQMUNYMLQ-UHFFFAOYSA-N 480.477 4.172 5 40 JIBB CCOC(=O)C1=C(C)[C@@H](c2ccccc2)N2C(=O)[C@H](Cc3cccc([N+](=O)[O-])c3)SC2=N1 9270458 SIICSWYXUCYSNL-ICSRJNTNSA-N 451.504 4.029 5 40 JIBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCC(=O)N1c2ccccc2OC[C@H]1c1ccccc1 13016979 VRBLELALRWIYCW-ZJVMWOEPSA-N 488.452 4.047 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccco1 13425370 HQUOCFOXIRONCB-UHFFFAOYSA-N 465.491 4.239 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 409132612 JNGCEQKRRGOFOP-MRXNPFEDSA-N 482.566 4.045 5 40 JIBB COc1ccc(CCn2c(-c3ccccc3C)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2237130 XCNNTLDGHABXPI-UHFFFAOYSA-N 451.526 4.475 5 40 JIBB Cc1cc([N+](=O)[O-])nn1[C@H](C)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2730761 KQEQTBUJOYOSOJ-LLVKDONJSA-N 462.898 4.341 5 40 JIBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2nnc(-c3ccccc3)o2)n1 3280927 HBMBNWVCAFYLJD-UHFFFAOYSA-N 497.514 4.356 5 40 JIBB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)cc1 9062364 RPYWKJYUNHDSSP-UHFFFAOYSA-N 459.418 4.158 5 40 JIBB COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1 9334838 IFZCGEDPQUXAFJ-FBLLAGFSSA-N 459.458 4.045 5 40 JIBB C[C@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 9493294 GXKNXQJNHQIFBT-SNVBAGLBSA-N 459.717 4.453 5 40 JIBB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9698572 NVDCWGFQYKWLMQ-UHFFFAOYSA-N 495.557 4.213 5 40 JIBB COc1cc2c(cc1OC)[C@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 11726271 UGPRMKSMXFFVKO-QFIPXVFZSA-N 493.472 4.339 5 40 JIBB COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c(OC)c1 12311649 NEHJMKHRJDQSIT-UHFFFAOYSA-N 481.490 4.100 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 14155243 IPKPVXZLXODTEV-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36319056 QHZSRBHYUUQZRB-QTZVNIFKSA-N 486.553 4.117 5 40 JIBB COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 95528618 OAHWDTQRGQNEJU-BDTNDASRSA-N 479.876 4.308 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1cccc([N+](=O)[O-])c1 95909129 NHZSTDKVUILCCA-HKBOAZHASA-N 494.847 4.208 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc([N+](=O)[O-])cc(Br)c3O)C2=O)cc1 111507837 BITBMIXUKTYQMP-CHHVJCJISA-N 492.307 4.046 5 40 JIBB COc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] 139149509 PXSHRYKVNXAKKH-GTWFGUSFSA-N 495.560 4.236 5 40 JIBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223242429 ONLFADGGYVPVNG-YADHBBJMSA-N 451.552 4.174 5 40 JIBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408677339 BSHVNTQZPYWQJJ-JOCHJYFZSA-N 482.470 4.110 5 40 JIBB CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCNC(=O)c3ccc([N+](=O)[O-])cc3)ccc21 3285749 UYJCJBHIAUXIFP-UHFFFAOYSA-N 488.500 4.024 5 40 JIBB O=C(CCCn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCc1nnc(-c2cc3c(s2)CCCC3)o1 10021994 PTFWFOMZVCZRCW-UHFFFAOYSA-N 484.490 4.017 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)c1 13146470 NZFZYNQTNKMCLL-UHFFFAOYSA-N 473.507 4.146 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101120594 LUKVWWBXYYQGDU-OLFWJLLRSA-N 472.545 4.066 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2cc(C)ccc2C)cc1 197712344 UBBSKXPKCIERAK-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3([N+](=O)[O-])c3ccccc32)cc1 408618225 CSNOOFRMSYUWLJ-MSRUFZRRSA-N 482.492 4.037 5 40 JIBB O=[N+]([O-])c1nn(CCc2nnc(Nc3ccn(Cc4ccccc4Cl)n3)s2)cc1Cl 2731161 CCDJGGASVHXSCJ-UHFFFAOYSA-N 465.326 4.181 5 40 JIBB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H](C)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 9128046 YHGIFQGHIGPXOM-AWEZNQCLSA-N 452.433 4.128 5 40 JIBB O=C(Nc1ccc(Nc2ccccc2)cc1)C1CCN(S(=O)(=O)c2ccccc2[N+](=O)[O-])CC1 9192463 FLFAYEIFHDDLTN-UHFFFAOYSA-N 480.546 4.378 5 40 JIBB COc1ccc(S(=O)(=O)[C@@H](CNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c2cccs2)cc1 9569313 CMKCAUACDSYIHR-IBGZPJMESA-N 480.951 4.263 5 40 JIBB COc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OC)cc2Cl)cc1 408568668 IFBANOICFZIZIT-IBGZPJMESA-N 464.931 4.365 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1Cl 408572609 RLYFWQJENXDLPS-JSAFGSNCSA-N 463.921 4.487 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1 409131152 JYMVTDSYCGDVAW-UHFFFAOYSA-N 489.937 4.475 5 40 JIBB Cc1ccc(Nc2c(C(=O)N3CC(=O)Nc4ccccc43)cc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1 16284982 AOSYFTGAYLMYQV-UHFFFAOYSA-N 461.434 4.462 5 40 JIBB COc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1-c1ccc(CO)o1 20153188 YUHFHLVHPFHZBV-UHFFFAOYSA-N 496.545 4.083 5 40 JIBB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@@H]2C1=O 101203219 WGZWDBGGJLQTEJ-VABKMULXSA-N 459.458 4.045 5 40 JIBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223307708 FSTQDNCGCARGPX-FQEVSTJZSA-N 471.554 4.013 5 40 JIBB O[C@@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1 3171178 ZNLWJUXDWGDGPH-SQHAQQRYSA-N 492.592 4.043 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)N1CCC[C@H](C)C1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 10541512 QICJPEIXAHLVMS-HNNXBMFYSA-N 495.985 4.019 5 40 JIBB CCCC[C@H](C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 8721564 IHPKXQQFUVXGMO-GOSISDBHSA-N 493.299 4.483 5 40 JIBB COC(=O)c1cc(C(=O)N2CC3(CCCC3)c3cc4c(cc3[C@@H]2C)OCCO4)cc([N+](=O)[O-])c1 10368834 WUIVUFVLDXQQPT-HNNXBMFYSA-N 466.490 4.181 5 40 JIBB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 15218165 BOMVLYJMIWOBEP-UHFFFAOYSA-N 464.565 4.169 5 40 JIBB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12 20675583 PLMRMSSJVLRUEU-LEWJYISDSA-N 450.495 4.250 5 40 JIBB CCc1ccccc1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409136554 XIGLSUOHITXPSP-OAQYLSRUSA-N 496.593 4.144 5 40 JIBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)C(C)C)cc1 409170172 SSEMGRZKQQAVMV-NRFANRHFSA-N 496.593 4.198 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 409304245 QOMZFUMHWLLJKD-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NC4CCCC4)cc3c3ccnc2c31 8792401 KWPWWCCKRRWAPU-UHFFFAOYSA-N 471.513 4.047 5 40 JIBB biogenic COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2ccccc2OC)c1C 8926560 BPNKFHRLIVMNAT-UHFFFAOYSA-N 469.475 4.265 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4C)cc3)CC2)cc1 40717623 JCPDEKXRUPLTCV-UHFFFAOYSA-N 474.517 4.127 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccccc1 248112304 NZIIGMMMXFUKHO-WSOYEBOPSA-N 479.492 4.176 5 40 JIBB COc1cc(Br)c(C[C@@H]2c3cc(OC)c(OC)cc3CC[N+]2(C)C)cc1OC 5085914 XOYULGOXBAMUHS-GOSISDBHSA-N 451.381 4.400 5 40 JIBB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)cs1 12538374 BDWXKDVNVNGADZ-UHFFFAOYSA-N 480.546 4.498 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)NCCc2cccc(Cl)c2)cc1 12602952 CIXIYYGFYTXXSL-UHFFFAOYSA-N 474.922 4.297 5 40 JIBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)NC3CCCCC3)cc2Cl)cccc1[N+](=O)[O-] 38556528 APADWLJVUVGEGU-UHFFFAOYSA-N 481.958 4.185 5 40 JIBB CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2ccc(-n3ccnc3)cc2)cc1[N+](=O)[O-] 58014700 XTZGWCXHQRYVAD-UHFFFAOYSA-N 469.501 4.008 5 40 JIBB O=C(CCCCCn1c(=O)c2sccc2n(Cc2ccc([N+](=O)[O-])cc2)c1=O)Nc1ccccc1 71328624 ZHBZPSTWPOYSGK-UHFFFAOYSA-N 492.557 4.380 5 40 JIBB O=C1[C@H]2[C@@H](c3ccccc3Cl)N(c3cccc([N+](=O)[O-])c3)O[C@H]2C(=O)N1Cc1ccccc1 102752078 LYZIFPAOTGDOBL-BHDDXSALSA-N 463.877 4.295 5 40 JIBB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OC 409359407 NWFYCOOSGWSPBT-MFOYZWKCSA-N 462.867 4.185 5 40 JIBB COc1ccccc1-n1c(SCC(=O)NCc2ccc3c(c2)OCO3)nc2cc([N+](=O)[O-])ccc21 8685899 GOBAYTGBJGSKNZ-UHFFFAOYSA-N 492.513 4.080 5 40 JIBB aggregator CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(Cl)c([N+](=O)[O-])c2)NC(=O)N1 8843893 GEUAXMZJJLLOOS-MRXNPFEDSA-N 465.691 4.277 5 40 JIBB CCOC(=O)C1=C(c2ccccc2)NC(N)=N[C@@H]1c1ccc(Oc2ccc(OC)cc2)c([N+](=O)[O-])c1 12641757 VIWRKTRVHIHSSF-XMMPIXPASA-N 488.500 4.329 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225233889 XMLARJXUNLAEPM-INIZCTEOSA-N 476.371 4.233 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 1874264 VDEAFHDCXYFXOS-SHQCIBLASA-N 498.514 4.143 5 40 JIBB biogenic Cc1ccc(-n2c(SCC(=O)Nc3cc([N+](=O)[O-])ccc3F)nc3ccccc3c2=O)cc1 3530473 UAAQFBVFHOSZAF-UHFFFAOYSA-N 464.478 4.472 5 40 JIBB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 6197837 STSMPTMHRHCZHL-UHFFFAOYSA-N 477.542 4.390 5 40 JIBB CN(CC(=O)Nc1ccc([N+](=O)[O-])cc1Br)Cc1ccccc1N1CCCCC1 12562738 FMFNEQUPQJBQCG-UHFFFAOYSA-N 461.360 4.418 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(OCc2ccccc2)c(OC)c1 9125019 MFXKDPNQUHWPJZ-MRXNPFEDSA-N 480.473 4.375 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)C[C@H](C)CC5)cc1 9344588 LECZTLUCRLCBKS-CYBMUJFWSA-N 463.592 4.151 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@@H]1c1cc([N+](=O)[O-])ccc1Cl 12517524 PZGXMPYEKSNOHB-HXUWFJFHSA-N 489.937 4.292 5 40 JIBB Cc1ccc(N2C(=O)C[C@H](C(=O)OCC(=O)Nc3ccccc3[N+](=O)[O-])[C@@H]2c2cccs2)cc1 21469383 UITBVEQRXQAWHA-GAJHUEQPSA-N 479.514 4.241 5 40 JIBB CCOc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C1=O 102761496 WGZWDBGGJLQTEJ-XPWALMASSA-N 459.458 4.045 5 40 JIBB COc1cc(C)c([C@H](C)NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 223365172 ACPASPXJUAKREV-SFHVURJKSA-N 491.610 4.459 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 408641452 LPSHIHYAJUDHJO-JTQLQIEISA-N 457.792 4.267 5 40 JIBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)c1 408647076 RMABOXXGOLCYSX-UHFFFAOYSA-N 457.266 4.251 5 40 JIBB O=C(CSc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408989158 HDJSEBYMMKBEIJ-DYESRHJHSA-N 469.544 4.267 5 40 JIBB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1nc2ccc([N+](=O)[O-])cc2s1 2088845 YPSQSSJAUIHJPU-UHFFFAOYSA-N 462.487 4.427 5 40 JIBB COc1ccc(CCn2c(-c3ccccc3F)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2324385 ZEIBMPIBDBKIAH-UHFFFAOYSA-N 455.489 4.306 5 40 JIBB COc1ccc(CCn2c(-c3ccccc3F)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 2330733 UHJBNJQCCQSBDJ-UHFFFAOYSA-N 485.515 4.314 5 40 JIBB COC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc([N+](=O)[O-])cc3)S(=O)(=O)c3ccccc3)cc12 8765819 MYVNXLQOLRQJHH-UHFFFAOYSA-N 494.481 4.472 5 40 JIBB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9120020 OIRQAJMRWFTPQR-UHFFFAOYSA-N 491.525 4.418 5 40 JIBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225677382 MLYSYTONZCFRGN-QGZVFWFLSA-N 461.559 4.157 5 40 JIBB CCCCn1c(CNc2cc([N+](=O)[O-])ccc2OC)nc2cc(S(=O)(=O)N(CC)CC)ccc21 9969014 NHXFAOLHQQSNFT-UHFFFAOYSA-N 489.598 4.396 5 40 JIBB O=C(c1ccc(Cl)cc1[N+](=O)[O-])N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32970850 HZQCTQFYKBOORI-UHFFFAOYSA-N 458.780 4.138 5 40 JIBB O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35271966 YNNRNFSQKUDXLZ-UHFFFAOYSA-N 484.921 4.393 5 40 JIBB COc1ccc(-c2csc(-c3cc(NC(=O)Cc4ccc([N+](=O)[O-])cc4)n(C)n3)n2)cc1OC 35683114 MYJJUOFVSQYPQV-UHFFFAOYSA-N 479.518 4.317 5 40 JIBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223251227 RYISJFALVIZEBW-YADHBBJMSA-N 451.552 4.174 5 40 JIBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565031 HGIUPFAJCGLGKP-QOAWAWRESA-N 473.529 4.105 5 40 JIBB CC(C)OC(=O)c1ccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 408618232 CSNOOFRMSYUWLJ-WUIRLBBUSA-N 482.492 4.037 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409107543 WSXIKPFIIAUUNA-CIAFOILYSA-N 477.448 4.414 5 40 JIBB CCn1c(COc2ccc(C)cc2OC)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409359718 NFHPAVPOUUSVGE-UHFFFAOYSA-N 471.539 4.141 5 40 JIBB COc1cccc(-n2c(SCc3cc([N+](=O)[O-])cc4c3OCOC4)nc3ccccc3c2=O)c1 3360659 VIKYLPVVBPWDLH-UHFFFAOYSA-N 477.498 4.461 5 40 JIBB Cc1ccc2nc(NC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)sc2c1 8692780 QBIBFMUMQVPSTA-UHFFFAOYSA-N 494.982 4.206 5 40 JIBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 8846781 UZRAGEHATKKUHQ-UHFFFAOYSA-N 458.780 4.138 5 40 JIBB O=C(Oc1ccc2ccccc2c1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9613351 SZMHDSXBGYLVGB-UHFFFAOYSA-N 474.922 4.408 5 40 JIBB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc([N+](=O)[O-])cc1)Nc1ccc(Cl)cc1 27016392 HFRHYXPDGSXHKI-FQEVSTJZSA-N 464.865 4.245 5 40 JIBB C[C@H](C(=O)Nc1ccc(F)c(Cl)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57470999 CGVPLADDTYHPFF-CQSZACIVSA-N 457.893 4.085 5 40 JIBB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222733308 WQUMUFFJURAJJM-ZDUSSCGKSA-N 470.378 4.298 5 40 JIBB CCCN1C(=O)N/C(=C/c2cc(Br)c(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409242393 UNHYYYNALZNUIU-LICLKQGHSA-N 490.310 4.248 5 40 JIBB O=[N+]([O-])c1cc2c(c(CSc3nnc(-c4ccccn4)n3Cc3ccco3)c1)OCOC2 3295755 LLHMGOHPPYUOMX-UHFFFAOYSA-N 451.464 4.048 5 40 JIBB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1 4120736 WGKPNXQQVMTATM-VZUCSPMQSA-N 456.930 4.349 5 40 JIBB COc1ccc(CCNC(=O)Cc2cc(OCc3ccccc3)c(OC)cc2[N+](=O)[O-])cc1OC 5085915 ARRRPNVTEZWINC-UHFFFAOYSA-N 480.517 4.101 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 20802703 JUPCMECQNDLHHS-RTWAWAEBSA-N 450.495 4.106 5 40 JIBB COc1cc(CN(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)C2CCCCC2)ccc1OCC(N)=O 22712105 PUCJSYJUCIKMBD-UHFFFAOYSA-N 475.929 4.096 5 40 JIBB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225165044 UJJAGVXRGANFJC-QFIPXVFZSA-N 457.596 4.470 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408567260 QRBXGMYTXFTQIJ-QOAWAWRESA-N 473.529 4.186 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)c1ccc(C)cc1 408586470 NBOCQFMBZYXNFQ-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB CCOc1cc(C=C(C(=O)OC)C(=O)OC)cc(Cl)c1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409092640 VWURLJCUEFETIT-UHFFFAOYSA-N 480.813 4.077 5 40 JIBB Cc1cccc(C)c1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409167551 JBYOQOCFTOGLMG-LJQANCHMSA-N 482.566 4.188 5 40 JIBB COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@@H](C(C)(C)C)C2 995786 XWTSAUCWSOBUIL-LLVKDONJSA-N 468.963 4.391 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c([N+](=O)[O-])c1 9562403 FMCYFLBCUUYNNQ-UHFFFAOYSA-N 455.540 4.427 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc(Cl)cc1Cl 44802872 ZAGLNBURTITIOP-UHFFFAOYSA-N 494.356 4.413 5 40 JIBB O=C(Nc1cccc2c1CCCN2C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1)c1ccc(F)cc1 68750068 VPUSNPZYUYVGGJ-UHFFFAOYSA-N 486.463 4.160 5 40 JIBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223322670 GVVBNLUMRDLSCX-ITEAAPOESA-N 450.520 4.401 5 40 JIBB COc1ccc(C(=O)[C@H]2[C@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN32)cc1 8691793 FHSJOLPRYSEWQK-ZFFYZDHPSA-N 457.486 4.089 5 40 JIBB CC1(C)C[C@@H]2C[C@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O 9186227 AODBAAYJCSXDOF-TUVLUGLVSA-N 488.544 4.194 5 40 JIBB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9403188 LBYCEOITBDNALI-AUUYWEPGSA-N 458.898 4.331 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 19818614 RFWNJPZHMKDPID-GOTSBHOMSA-N 470.485 4.260 5 40 JIBB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223074831 QLIXQRUANNCZSE-FGZHOGPDSA-N 468.535 4.267 5 40 JIBB C[C@H]1CCCN(S(=O)(=O)c2ccc(Sc3nnc4sc5ccccc5n34)c([N+](=O)[O-])c2)C1 12558029 ZBWDPFZNPDCJKE-ZDUSSCGKSA-N 489.604 4.424 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1ccc2ccccc2c1 222755224 PFNSJAABSUCULP-UHFFFAOYSA-N 475.526 4.260 5 40 JIBB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224879695 UKZYXDHAIQERNU-HSZRJFAPSA-N 487.622 4.416 5 40 JIBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCC(=O)N(c2ccccc2)c2ccccc2)c1 408662495 JBFOSFCIWKRBCR-UHFFFAOYSA-N 477.473 4.230 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408685158 OUUHHVZORSCIKE-VOBQZIQPSA-N 453.882 4.003 5 40 JIBB CCOc1cc(/C=C2/NC(=O)N(CC)C2=O)c(Br)cc1OCc1cccc([N+](=O)[O-])c1 409220556 BKXRTDIJDDWKBW-RQZCQDPDSA-N 490.310 4.248 5 40 JIBB COc1ccc([C@H]2SCCN2C(=O)c2cc3cc(Br)ccc3oc2=O)cc1[N+](=O)[O-] 2280877 XQHHZZRELBAEPX-LJQANCHMSA-N 491.319 4.360 5 40 JIBB Cc1cccc2sc(NC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4Cl)CC3)nc12 8692635 GPZLWDXHZOEMIF-UHFFFAOYSA-N 494.982 4.206 5 40 JIBB O=C(c1cccc(Cl)c1)N1CCN(c2c([N+](=O)[O-])cc(C(F)(F)F)cc2[N+](=O)[O-])CC1 9720423 FTVBTXSVPACGJK-UHFFFAOYSA-N 458.780 4.138 5 40 JIBB Cc1ccc(S(=O)(=O)NCCCCCC(=O)Oc2cc(O)c3c(=O)c4ccccc4oc3c2)cc1 13576901 YAWMXZBBBBOPBT-UHFFFAOYSA-N 495.553 4.405 5 40 JIBB CCCCCn1/c(=N\C(=O)c2cccc(F)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101141118 DLOMCLRTCVTUMH-KRUMMXJUSA-N 490.535 4.205 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 103012949 BANHIHOHNZMWBH-PZPFTHLGSA-N 458.536 4.225 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 139053309 QYHWKFMHXZUJPZ-VOBQZIQPSA-N 455.898 4.227 5 40 JIBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCc1ccc2c(c1)OCO2 8792433 DUVFAELAGKYFPI-INIZCTEOSA-N 491.503 4.404 5 40 JIBB biogenic Cc1c(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cccc1[N+](=O)[O-] 14270986 RYFSAMISMZWDBY-UHFFFAOYSA-N 466.910 4.417 5 40 JIBB COc1cccc(OCc2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)c1 19927427 OTOPNPNAVZMAKZ-UHFFFAOYSA-N 480.296 4.303 5 40 JIBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223307765 FSTQDNCGCARGPX-HXUWFJFHSA-N 471.554 4.013 5 40 JIBB Cc1ccc(C(=O)CN(C(=O)c2ccccc2Cl)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C 408657020 TWQOTHMTUSWIKU-UHFFFAOYSA-N 491.887 4.401 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2)cc1 409383583 XGWTUJYDBAGNBZ-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)c1noc(-c2ccc([N+](=O)[O-])cc2)c1S(=O)(=O)c1ccccc1 4292476 XOZQKTDPGZUQAM-UHFFFAOYSA-N 479.426 4.222 5 40 JIBB biogenic Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 9845889 XMALJQAYPPFNQP-WQRHYEAKSA-N 480.864 4.348 5 40 JIBB CCOC(=O)c1nn(-c2ccc(F)cc2)c(=O)c2c(NC(=O)c3cccc([N+](=O)[O-])c3C)scc12 11757916 MVNMXWRHOCBTLU-UHFFFAOYSA-N 496.476 4.232 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1 12560591 SSUQSFQERIDGJU-JOCHJYFZSA-N 481.530 4.164 5 40 JIBB CCCCNCC1=C(C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)NC(=O)N1Cc1ccccc1 13030103 FUZQRQYTPXVARO-QHCPKHFHSA-N 466.538 4.068 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)ccc1[N+](=O)[O-] 225610754 XZADLVJSUQFTTF-AWEZNQCLSA-N 498.363 4.231 5 40 JIBB CCOc1ccc(CNC(=O)c2ccc(Cn3cc(Cl)c([N+](=O)[O-])n3)cc2)cc1OCC 2809653 OCWBHQUEJMCBMS-UHFFFAOYSA-N 458.902 4.220 5 40 JIBB Cc1cc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccccc1 8832307 UCFKPSTZZNJNQZ-UHFFFAOYSA-N 460.490 4.244 5 40 JIBB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 9990724 IAGVUBQRCGXUJA-QHHAFSJGSA-N 456.882 4.154 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1 14273572 DBVDHVJNRBWPCQ-IZZDOVSWSA-N 462.531 4.271 5 40 JIBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 20529009 PZHFKJSROFGKHX-UHFFFAOYSA-N 458.518 4.372 5 40 JIBB O=C(CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 882881 NRPIOUUCBLNQKI-UHFFFAOYSA-N 461.503 4.338 5 40 JIBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@@H]1CCCO1 9011938 QNFZZDMHSGQHDB-HNAYVOBHSA-N 485.290 4.188 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(Cc3ccccc3)C2=O)[C@@H]1CCC 9088096 FXMQFUVZDQRIIR-NVQXNPDNSA-N 478.549 4.191 5 40 JIBB COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2C(=O)OCC(=O)C(C)(C)C)c([N+](=O)[O-])c1 12750490 SIOHKFITMSVTKE-CQSZACIVSA-N 474.535 4.495 5 40 JIBB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@@H](C)C4)c([N+](=O)[O-])n1 21865974 IAIPFPPMACFNKK-CYBMUJFWSA-N 455.540 4.052 5 40 JIBB O=C(/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1)N1CCN(Cc2ccc3c(c2)OCO3)CC1 409024661 MMPYJZAXJQDLGV-LFVJCYFKSA-N 471.513 4.209 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 409214294 WXFRBQAYLQPNHT-NVNXTCNLSA-N 480.271 4.171 5 40 JIBB CCCCCOC(=O)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1cc(OC)c(OC)cc12 6143814 BIWHIXACAUJBOX-UHFFFAOYSA-N 460.490 4.241 5 40 JIBB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc([N+](=O)[O-])c1)N(CCCn1ccnc1)C3=O 21151027 HKKPTMASVOWALX-JOCHJYFZSA-N 458.474 4.150 5 40 JIBB Cc1nc(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)n(C[C@H]2CCCO2)c1C 21567865 COLNNEGVYDQUFK-CQSZACIVSA-N 458.462 4.337 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl 408590997 HRHLFTBOAJVYDJ-IBGZPJMESA-N 494.356 4.430 5 40 JIBB CCCc1nc(S/C(=C\c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C(=O)O)n[nH]1 408630718 CFGBFCVQAZRZRP-UNOMPAQXSA-N 470.507 4.471 5 40 JIBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccc(OC)cc2)cc1 657846 LXHSRUFMVQXMTB-KQWNVCNZSA-N 489.484 4.190 5 40 JIBB O=C(N[C@H](OC[C@@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 9033394 CYCWZGBHULTEAA-YXJHDRRASA-N 464.777 4.302 5 40 JIBB biogenic O=c1[nH]c(/C=C/c2ccc(OCc3ccc(F)cc3)c(Br)c2)nc(O)c1[N+](=O)[O-] 13955270 VNVGSIFYDBHFGG-XBXARRHUSA-N 462.231 4.035 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 36307705 PKNFLNIAEUQHQA-QTZVNIFKSA-N 486.553 4.117 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408684240 NCTCPQNBDATIKO-DJKXOVBDSA-N 453.882 4.003 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1[N+](=O)[O-] 409045705 HEAZOIHXOCWANQ-ZOVQAKDCSA-N 468.465 4.091 5 40 JIBB Cc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@@H]2C(=O)C(F)(F)F)cc1 8767672 ISIIONQKHDSMJK-XQBPLPMBSA-N 489.406 4.110 5 40 JIBB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9345859 DMUJRDOLFBICDG-UHFFFAOYSA-N 459.418 4.071 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(F)cc12 13627024 WMBLCVHBWLFNJN-NIJIEXERSA-N 451.479 4.171 5 40 JIBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 14271567 FQMVTGIMUOESCW-LLVKDONJSA-N 460.581 4.033 5 40 JIBB CCOc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2)cc1NC(=O)c1ccccc1F 408559389 WUGWFXPOAUACFW-UHFFFAOYSA-N 459.455 4.186 5 40 JIBB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(F)cc1 408653982 QGYQTGUBGWJUCB-LJQANCHMSA-N 462.433 4.180 5 40 JIBB Cc1cccc(C)c1NC(=O)CSc1nnc([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409147956 XCQCNBPDORROQT-HXUWFJFHSA-N 496.593 4.198 5 40 JIBB Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)cc1)C2=O 2309381 LBKAENNQQNAGEG-UHFFFAOYSA-N 495.447 4.292 5 40 JIBB COc1ccc(OCCCC(=O)O[C@H](C)C(=O)Nc2ccc([N+](=O)[O-])cc2C(F)(F)F)cc1 9485756 UKHKBECDDROPMA-CYBMUJFWSA-N 470.400 4.352 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 9714711 DNTRMTBVONKRLK-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(NC[C@H]3CCCO3)c2)CC1 13633047 KYOBZUKKRTXMRQ-QGZVFWFLSA-N 479.364 4.455 5 40 JIBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)CC1 21579837 MJXSWKCJFAIQLE-UHFFFAOYSA-N 494.935 4.472 5 40 JIBB COc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)ccc1N1C(=O)c2ccccc2C1=O 22532637 DTUJMXCRMJGMKN-UHFFFAOYSA-N 451.822 4.310 5 40 JIBB CCCCn1/c(=N\C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176571 GVUMOHDBRSWEPK-SLMZUGIISA-N 478.936 4.021 5 40 JIBB O=C(CCC(=O)OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl)Nc1cccc([N+](=O)[O-])c1 408665046 SHHZOXLSICWDEL-UHFFFAOYSA-N 473.791 4.168 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409014794 KBTVCQPWEWUUQG-BXUJETTOSA-N 456.476 4.162 5 40 JIBB O=[N+]([O-])c1ccn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)n1 2731067 LVPWHUFYFYRKJQ-UHFFFAOYSA-N 465.326 4.181 5 40 JIBB Cc1c(NC(=O)c2ccc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)cc2)cccc1[N+](=O)[O-] 13095661 CLOZSCQNVPYBRL-UHFFFAOYSA-N 483.502 4.118 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 20528936 ROGWFCYVHQUJTF-UHFFFAOYSA-N 474.945 4.204 5 40 JIBB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)o2)c(OC)c1 21571404 WCKRXXIZOMDRAE-UHFFFAOYSA-N 450.860 4.046 5 40 JIBB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Nc2ccccc2)cc1 32778236 YKOVKXIGLOLJLG-UHFFFAOYSA-N 452.492 4.266 5 40 JIBB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225536212 DZUXVHBSUOFOGA-INIZCTEOSA-N 463.987 4.423 5 40 JIBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 9059266 NXWKEZIVALTJOM-UHFFFAOYSA-N 484.446 4.164 5 40 JIBB CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2c3ccccc3cc3ccccc23)s1 9216588 WCOIYNOYCNHZDK-UHFFFAOYSA-N 467.568 4.186 5 40 JIBB CN1CCN(c2nc3ccc(OC(=O)c4cc5cc([N+](=O)[O-])ccc5s4)cc3s2)CC1 9316260 ZFCNGMJENSDSPH-UHFFFAOYSA-N 454.533 4.390 5 40 JIBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc([N+](=O)[O-])ccc4Cl)c3)nn12 10010268 DLTPRSPKWRSJAL-UHFFFAOYSA-N 458.887 4.238 5 40 JIBB COc1cccc(NC(=O)c2ccccc2N(C)C(=O)CCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 13134549 XCVTYLPFTYGKIW-UHFFFAOYSA-N 494.479 4.377 5 40 JIBB O=[N+]([O-])c1cccc(/C=C/c2cc(/C=C/c3cccc([N+](=O)[O-])c3)nc(N3CCOCC3)n2)c1 16399724 UOYMDIOKAVDLHF-FIFLTTCUSA-N 459.462 4.470 5 40 JIBB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1ccccc1O 39772427 HGDJGBYFFWCSFS-UHFFFAOYSA-N 461.459 4.324 5 40 JIBB COc1cc(Br)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408572164 QRZHNTBFWJCVGB-SFHVURJKSA-N 479.356 4.466 5 40 JIBB CN[C@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 4095791 HKSZLNNOFSGOKW-VCPDCAFQSA-N 466.541 4.354 5 40 JIBB biogenic,in-vitro CCC[C@H](CNC(=O)Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)c1ccc(Cl)cc1Cl 8718644 FCBPHWYNGXJQEF-CYBMUJFWSA-N 463.321 4.312 5 40 JIBB O=C(COC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1)Nc1ncc(Cl)cc1Cl 9372988 OXTHVEYLJBQDGF-UHFFFAOYSA-N 453.282 4.082 5 40 JIBB COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c([N+](=O)[O-])c1 9465319 SHRGKQIRDOLZAT-UHFFFAOYSA-N 456.505 4.050 5 40 JIBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 12628219 PPMHHKZRYOOEFE-GOSISDBHSA-N 494.642 4.086 5 40 JIBB Cc1n[nH]c(O)c1[C@H](c1ccc(-c2ccc(Br)cc2[N+](=O)[O-])o1)c1c(O)n[nH]c1C 13893660 PKHGIFKTQNQZFB-UHFFFAOYSA-N 474.271 4.272 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(C(F)(F)F)cc1 19856841 GVVWZWHPYUIQQZ-UHFFFAOYSA-N 479.436 4.448 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC[C@@H](C)c2ccccc2)cc1)S(C)(=O)=O 224833411 RICOUDPULQPKPN-GOSISDBHSA-N 497.573 4.103 5 40 JIBB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225390891 ICODPXODALMGOA-QFIPXVFZSA-N 473.595 4.170 5 40 JIBB COc1ccc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccc([N+](=O)[O-])c2)cc1OC 716125 YKOVUMKSDLYBLQ-RUZDIDTESA-N 478.501 4.417 5 40 JIBB Cc1ccccc1NC(=S)N[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl 939642 ACMIWJCBTSIWOG-OAHLLOKOSA-N 461.758 4.316 5 40 JIBB COc1ccc(N(CC(=O)Nc2ccccc2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9335265 PVZGUXVXKODQOB-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB COc1cccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 12554985 GHFYRQUHNOBEHY-UHFFFAOYSA-N 451.445 4.497 5 40 JIBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20153194 QAADHWGUPFFAMV-UHFFFAOYSA-N 496.545 4.083 5 40 JIBB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 21580578 LFPVDZBUJTXBTC-UHFFFAOYSA-N 473.489 4.236 5 40 JIBB CCc1ccccc1NC(=O)CSc1nnc([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1C 409136551 XIGLSUOHITXPSP-NRFANRHFSA-N 496.593 4.144 5 40 JIBB Cc1cccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1C 409176216 YTOLQVAIEFUBBC-HXUWFJFHSA-N 482.566 4.188 5 40 JIBB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3)n2C)cc1Cl 9059144 CODKDSKPSWIXNU-CYBMUJFWSA-N 460.947 4.417 5 40 JIBB COCCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccc([N+](=O)[O-])cc1 9427238 YWJOVQGRCFQYIX-NRFANRHFSA-N 495.561 4.266 5 40 JIBB O=C(/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)NC(=S)Nc1ccc(CN2CCOCC2)cc1 16450586 JLHIQDUXVGBKPX-ZRDIBKRKSA-N 492.557 4.213 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@@H]3c4ccccc4C=CN23)cc1 248115336 ARROASCPBJVBSE-NGSHPTGOSA-N 495.491 4.002 5 40 JIBB CCc1ccc(C(=O)COC(=O)c2ccccc2S(=O)(=O)c2ccccc2[N+](=O)[O-])cc1 409178102 GIOOZRSJQSKCFU-UHFFFAOYSA-N 453.472 4.030 5 40 JIBB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 678489 WKXLHWLVHMVVQV-HXUWFJFHSA-N 483.402 4.460 5 40 JIBB COc1ccc(CCn2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)c(C)nc32)cc1 2253054 WNINNPZLNQNTOG-HXUWFJFHSA-N 469.545 4.033 5 40 JIBB O=C(Nc1nccc(-c2ccc(OC(F)F)cc2)n1)c1ccc(Cn2cc([N+](=O)[O-])cn2)cc1 2796892 QWLQUOGBFBRKBY-UHFFFAOYSA-N 466.404 4.150 5 40 JIBB CCOC(=O)C1=C(c2ccc([N+](=O)[O-])cc2)Nc2nc(=S)[nH]c(O)c2[C@H]1c1ccccc1 3306781 ZRWKIEZQOVIZGN-HNNXBMFYSA-N 450.476 4.285 5 40 JIBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)c1ccco1 8833175 POWMUVDGYBZWEQ-UHFFFAOYSA-N 493.545 4.476 5 40 JIBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)scc12 9381423 YDDBUBWPBCJHAM-UHFFFAOYSA-N 478.486 4.093 5 40 JIBB Cc1cc(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3)cc2)nc2c1c(=O)oc1ccccc12 11726700 JFSUNISWLSOKKT-UHFFFAOYSA-N 477.542 4.077 5 40 JIBB CCOc1cc2c(cc1CNC(=O)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C)O[C@@H](C)C2 32741033 LNWMMXMFZJMNSU-RCDICMHDSA-N 489.956 4.041 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O)Nc1ccc(F)cc1F 108088526 SLRFYDRJHORFAC-RGVLZGJSSA-N 498.467 4.398 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccccc2Br)n1C 915452 BHCGESALFAIIGU-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccc(C)cc3[N+](=O)[O-])o2)ccc1N1CCOCC1 10035125 BHZPGINEWZZLFE-UHFFFAOYSA-N 479.489 4.429 5 40 JIBB CCN1CCC[C@@H]1CN[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Br)c1ccccc1 12566378 CLVSVGQDKQQGML-YLJYHZDGSA-N 461.360 4.111 5 40 JIBB COc1c(Cl)cc(C(=O)O)cc1NC(=S)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153208 KVBYNAIDTHMLJG-UHFFFAOYSA-N 492.941 4.072 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223472773 HNZHTSAEGOSOCW-GOTSBHOMSA-N 456.531 4.348 5 40 JIBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 408700715 KTPNQXWPGOLKOG-GOSISDBHSA-N 475.567 4.075 5 40 JIBB COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)/C=C/c1cccc([N+](=O)[O-])c1 409190137 LFLBZVXNHMSHSI-ZCQNHDJMSA-N 460.398 4.160 5 40 JIBB COc1ccc([C@@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@H]2[N+](=O)[O-])cc1OC 8972041 GGDLLVHIXFVNHN-QORCZRPOSA-N 457.486 4.089 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 9353159 HVWIMHKWGKNUJZ-NJDAHSKKSA-N 494.301 4.408 5 40 JIBB CCc1ccc(N2C(=O)N(CC(=O)c3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)cc1 10272349 FMLBFZJFKOKGHM-UHFFFAOYSA-N 465.487 4.175 5 40 JIBB O=[N+]([O-])c1cc(CN2CCN(c3ncccn3)CC2)ccc1Sc1nc2ccccc2s1 13395980 YDMMWQLRQTXXBA-UHFFFAOYSA-N 464.576 4.468 5 40 JIBB O=C(Nc1ccc(N2CCOCC2)c(C(F)(F)F)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 22079301 ZVXLKIMMTBXZKO-UHFFFAOYSA-N 464.444 4.303 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(Cl)cc1 225845133 LKMLEOYFVSQAAM-UHFFFAOYSA-N 457.895 4.252 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 248094858 HWJLUUFLOUQPQJ-VZVHPENPSA-N 479.492 4.176 5 40 JIBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)NCc1ccco1 408981025 HIUJITLTAMAOGR-UHFFFAOYSA-N 494.510 4.007 5 40 JIBB CC(C)Cn1c(SCC(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)nc2ccccc21 9022703 SAGCMTXPOBMTAY-UHFFFAOYSA-N 453.568 4.041 5 40 JIBB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc([N+](=O)[O-])c2)cc1 9358364 JIGPZLPQSZDKIF-HSZRJFAPSA-N 456.454 4.498 5 40 JIBB CNc1ccc(C(=O)c2ccccc2C(=O)OCc2nnc(-c3cccs3)o2)cc1[N+](=O)[O-] 9672605 SEKDXVIMZMJZIV-UHFFFAOYSA-N 464.459 4.336 5 40 JIBB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(F)c([N+](=O)[O-])c1 9833971 BCKRHYSXGURKQV-UHFFFAOYSA-N 453.249 4.277 5 40 JIBB O=C(CCn1cc([N+](=O)[O-])cn1)Nc1nc2cc(Cl)ccc2n1CCCc1ccccc1 72296348 FYTCDHWIPNGYRR-UHFFFAOYSA-N 452.902 4.456 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccccc1Cl 101084516 SPGHDVZRBNMKCR-SLMZUGIISA-N 478.936 4.110 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225211872 QVZJXPHWOJOFMG-SJORKVTESA-N 461.559 4.299 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408676664 BCKWBEWAEZYNJY-UAOJZALGSA-N 455.898 4.227 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408689192 XTWCKIAWYYWWLF-MJGOQNOKSA-N 453.882 4.147 5 40 JIBB COC(=O)c1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCC(C)C)c(C)nc32)cc1 2407225 UCMAPEBNXYTFGH-UHFFFAOYSA-N 455.518 4.425 5 40 JIBB CC(C)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(C(=O)c2ccccc2)CC1 12786642 YIGKWMPEVNEFMY-OAQYLSRUSA-N 471.941 4.124 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(C)cc2)cc1OC 14412014 ZWBZDLSQLKBRGT-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NCCc2cn3ccccc3n2)c([N+](=O)[O-])c1 23617917 OKACNADADMNPFN-UHFFFAOYSA-N 465.535 4.112 5 40 JIBB CN1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2[N+](=O)[O-])CC1 72229232 KPEKLVOKGGKNDV-UHFFFAOYSA-N 453.724 4.015 5 40 JIBB O=[N+]([O-])c1ccc(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1 89813326 ZBYACFRDLKIHBC-UHFFFAOYSA-N 486.449 4.247 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)OCc2nc(-c3ccccc3)oc2C)CC1 8726824 JBWFJKFXXTUCIQ-UHFFFAOYSA-N 499.545 4.011 5 40 JIBB CCNc1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)cc1[N+](=O)[O-] 9461350 DIIKMOFRQXBBHA-UHFFFAOYSA-N 462.462 4.074 5 40 JIBB CSc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)N(C)c2ccccc2)cc1[N+](=O)[O-] 13129564 KOYXJEGHAWHNCB-UHFFFAOYSA-N 464.499 4.368 5 40 JIBB COc1ccc(C2=NN(S(=O)(=O)c3ccc(C)cc3)[C@H](c3ccc([N+](=O)[O-])cc3)C2)cc1 15021538 ZLVZHFCDTCRQFM-QHCPKHFHSA-N 451.504 4.452 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccccc1C 100820885 RHSHYBIBDOYQNZ-JVCXMKTPSA-N 484.556 4.381 5 40 JIBB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 107666009 LMXWEIORQJWYPF-FPYGCLRLSA-N 465.362 4.138 5 40 JIBB O=C(CN(C(=O)c1ccc(Cl)c(Cl)c1)N1C(=O)c2ccccc2C1=O)c1ccc([N+](=O)[O-])cc1 408652950 PHNOTJAWEQUDLO-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 17083417 QPLBSWUXIOQSEE-QHCPKHFHSA-N 481.302 4.365 5 40 JIBB CC1=C[C@@H](CN2CCC(O)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 30883344 JWEBPAJAEHSWRR-JTAQYXEDSA-N 454.571 4.499 5 40 JIBB biogenic,in-vitro O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851692 TYKZRTWFFHHUAD-LNEBKTTKSA-N 471.538 4.414 5 40 JIBB Cc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3C)nc3ccccc3c2=O)nc1 49649957 HVULCDSOMOGUEY-UHFFFAOYSA-N 461.503 4.037 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 138788458 BEHYGHQLYWVBFM-PKOBYXMFSA-N 498.333 4.256 5 40 JIBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 224793611 SOGGADBLXYWQIR-UHFFFAOYSA-N 489.937 4.330 5 40 JIBB CC(C)COC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 409217354 PJXCGQYQYAOGMK-RGVLZGJSSA-N 470.503 4.409 5 40 JIBB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(OS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 3551247 UKZXQIZLCDNUAU-UHFFFAOYSA-N 481.891 4.117 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@@H](c4cccc([N+](=O)[O-])c4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 8768806 VGNKMJPOAOIXTE-SQHAQQRYSA-N 480.524 4.270 5 40 JIBB biogenic Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)c2ccc3c(c2)OCO3)n1 9590604 WFAZCKBGSYEPSG-UHFFFAOYSA-N 458.473 4.279 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 18044719 HVWIMHKWGKNUJZ-QHAWAJNXSA-N 494.301 4.408 5 40 JIBB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224485854 BNYAFBYBXOCIRT-IBGZPJMESA-N 457.596 4.060 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1cccc(F)c1)[C@H]1CCCN12 408564393 CMHJFVUJDZVODL-YUHKXCSQSA-N 473.504 4.459 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408569794 XVPFJEJYAYAGTB-FESMNKHTSA-N 491.519 4.325 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2)cc1 408674983 OEGBJTSNAVMORS-UHFFFAOYSA-N 499.545 4.429 5 40 JIBB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 9540046 NKRNGFRDXPKNBM-DEOSSOPVSA-N 488.500 4.449 5 40 JIBB CCN(CC)[C@@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)c1cccc(OC)c1 11381397 VDOUXQBCXWVVKL-DEOSSOPVSA-N 479.581 4.278 5 40 JIBB O=C(Nc1ccccc1I)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12517508 LBOQXYZERAJCSZ-UHFFFAOYSA-N 451.264 4.055 5 40 JIBB O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 12542406 UAQCKOCXXGHHLU-UHFFFAOYSA-N 455.492 4.282 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1Sc1nc2cc(F)c(F)cc2[nH]1 12736778 HRDIAHYWUGWRER-UHFFFAOYSA-N 454.480 4.075 5 40 JIBB COc1ccccc1N(CC(=O)N(C)C1CCCCC1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 13131703 WIIVJCMOTBIIRO-UHFFFAOYSA-N 495.985 4.243 5 40 JIBB CCOc1cc(/C=C2\N=C(c3cccc([N+](=O)[O-])c3)OC2=O)cc(Br)c1OCC 15216720 QXAYDQXQLJSWLD-SXGWCWSVSA-N 461.268 4.499 5 40 JIBB O=C(Nc1cc(Cl)ccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc([N+](=O)[O-])o1 19945450 LAFRIRDELYHGEF-UHFFFAOYSA-N 454.870 4.056 5 40 JIBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 22429766 JNKBQJPYUCLEQE-HSZRJFAPSA-N 467.547 4.366 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35851834 YEFGLTRQXFZXPC-ICLZECGLSA-N 486.553 4.117 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247361093 ZOCSCFCHXRISLO-LWSSLDFYSA-N 483.455 4.132 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 408664477 QYPAHGRZSZPMHA-UHFFFAOYSA-N 498.717 4.301 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc([N+](=O)[O-])c1O 409224935 NZYBXIQDACKBMX-APSNUPSMSA-N 495.872 4.167 5 40 JIBB Cc1ccc2cc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 913752 WRYFFJBLAIRUFN-UHFFFAOYSA-N 481.505 4.275 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCc1ccccc1 1885999 IZJAFLJHGFLIDR-LSYYVWMOSA-N 494.551 4.394 5 40 JIBB biogenic C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@H](O)c1ccccc1 8792124 GDRABFAOTRAMGK-GKVSMKOHSA-N 477.520 4.209 5 40 JIBB biogenic Cc1ccc2c(CC(=O)Nc3ncc(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)s3)coc2c1 8882099 HRENSVMBHOYGFW-UHFFFAOYSA-N 457.489 4.120 5 40 JIBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)cc1 19160763 JKVFNVPLVZCVME-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB CCOc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 19856445 KZBGVFSFDRBVHW-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB CCCOc1c(I)cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OC 33663591 QGZIPZOWVBMZGU-UHFFFAOYSA-N 456.236 4.249 5 40 JIBB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 89459678 AVFRGXLLCQFVGI-UHFFFAOYSA-N 467.931 4.074 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222997964 APTOSPPWTWEFIO-IBGZPJMESA-N 457.596 4.470 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1cccc(F)c1)[C@H]1CCCN12 408564387 CMHJFVUJDZVODL-AWTIUKJOSA-N 473.504 4.459 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408570084 YPLAPUSNCQBVQH-QKSQJBIDSA-N 473.529 4.233 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409138626 FQPBHSPOFHXXIU-INIZCTEOSA-N 482.566 4.045 5 40 JIBB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NC(=O)c1cccc([N+](=O)[O-])c1 2639376 LTXCLXXXSGEWJD-UHFFFAOYSA-N 477.477 4.030 5 40 JIBB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc([N+](=O)[O-])cc1)NC1CCCCC1 2720969 UVXWYKREWGUJLH-UHFFFAOYSA-N 477.546 4.316 5 40 JIBB C[C@@H](Cn1cc([N+](=O)[O-])cn1)c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1 2730700 PDDYMBLIMQWSAZ-NSHDSACASA-N 462.898 4.227 5 40 JIBB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(Br)c([N+](=O)[O-])c1 8395997 RQUOBWHFZLISST-MLPAPPSSSA-N 452.058 4.464 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@@H](C)C(=O)NCC(C)C)cc3c3ccnc2c31 8792445 PYXHFCZNTQYXHZ-HNNXBMFYSA-N 473.529 4.149 5 40 JIBB biogenic Cc1cc(=O)c(C(=O)N(Cc2ccccc2[N+](=O)[O-])CC(F)(F)F)nn1-c1ccc(Cl)cc1 32915666 MMXNEUBPXBFELY-UHFFFAOYSA-N 480.830 4.307 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]12 138510867 MXPRINRBXGRWNC-WIBUTAKZSA-N 453.882 4.003 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 138788340 BEHYGHQLYWVBFM-IEBWSBKVSA-N 498.333 4.256 5 40 JIBB Cc1cc(Br)c(Cl)cc1NC(=O)COC(=O)CCC(=O)Nc1ccc([N+](=O)[O-])cc1 408662427 IDZLUWAKDPUDRN-UHFFFAOYSA-N 498.717 4.220 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408676666 BCKWBEWAEZYNJY-VOBQZIQPSA-N 455.898 4.227 5 40 JIBB COc1cc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 409338587 MQAPKFAKMSYDTO-HWKANZROSA-N 467.478 4.097 5 40 JIBB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 1163769 PWXDQBGPQUNTPE-YQNUULROSA-N 456.476 4.162 5 40 JIBB O=C(COC(=O)c1ccc(NC(=O)c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1)c1ccc(Cl)cc1 2068055 YNRNTYRGDRTUKD-UHFFFAOYSA-N 483.820 4.448 5 40 JIBB CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)[C@@H]1CC 9433954 QPSPXPBDNQUPDE-GBXCKJPGSA-N 484.940 4.377 5 40 JIBB O=C(NC(=S)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc([N+](=O)[O-])cc1 13940592 LRCXNENAKRPUPC-UHFFFAOYSA-N 452.883 4.109 5 40 JIBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1 14278461 RVMOWDMQPAFOFK-UHFFFAOYSA-N 486.532 4.288 5 40 JIBB O=C(OCc1nnsc1Cl)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 27074661 GIMCYEXQSKSWBA-UHFFFAOYSA-N 450.826 4.078 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 1642254134 CYEVTIGQHRPRKI-WFASDCNBSA-N 454.310 4.391 5 40 JIBB CCOC(=O)c1c(NC(=O)c2ccc(N3CCN(CC)CC3)c([N+](=O)[O-])c2)sc2c1CCCC2 4420451 GXIZODCOILKURM-UHFFFAOYSA-N 486.594 4.106 5 40 JIBB Cc1nn(CCCC(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)c(C)c1[N+](=O)[O-] 8661239 IRPQNYHEENFYQW-UHFFFAOYSA-N 451.314 4.379 5 40 JIBB COc1ccc(CNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)c(OC)c1 8792109 ZAUOTKGLYMGSMK-UHFFFAOYSA-N 493.519 4.304 5 40 JIBB biogenic CCn1c2ccccc2c2cc(NC(=O)COC(=O)c3cc(C(=O)OC)cc([N+](=O)[O-])c3)ccc21 9469476 FCUOYKYSSSPFPR-UHFFFAOYSA-N 475.457 4.305 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13563262 YHLCVUANJFXJPX-QHAWAJNXSA-N 494.301 4.408 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 16002233 BUJPDQHWQLDPLM-HSZRJFAPSA-N 463.446 4.308 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3ccc([N+](=O)[O-])cc3)c2)C1=O 205761283 MTDOCBGOAGVYRH-YBFXNURJSA-N 456.476 4.162 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223088899 HIBRNLCWPGBILW-DLBZAZTESA-N 461.559 4.299 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224471610 AKPRBJYPPPAHOR-GOSISDBHSA-N 498.363 4.233 5 40 JIBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OCC(C)C 225770864 HSQJCNAWCIGXLC-UHFFFAOYSA-N 470.522 4.493 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 408688439 WIBGXCHUYDAOFD-FEBSWUBLSA-N 488.327 4.490 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3n3c(=O)c4c5c(sc4nc23)CCCC5)cc1 3175255 CMEKMOMNVRHEMY-UHFFFAOYSA-N 476.583 4.445 5 40 JIBB C[C@@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc([N+](=O)[O-])cc2)n31 9108718 PHWLHFGGFZDIER-LLVKDONJSA-N 451.537 4.312 5 40 JIBB O=C(Nc1cccc(Br)c1)c1ccc(NS(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1 9714719 NJGPEOKTUDPWQV-UHFFFAOYSA-N 476.308 4.410 5 40 JIBB Cc1ccc(-c2csc3ncn(C[C@@H](O)COc4cccc([N+](=O)[O-])c4)c(=O)c23)cc1C 12811975 WBFNYXLMRYIXTH-GOSISDBHSA-N 451.504 4.090 5 40 JIBB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c2ccccc2)c1 15978537 XVLNTKBLCVFTRQ-DEDYPNTBSA-N 450.422 4.465 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 138847840 MBVSCECKVPTWJG-QCQDVHPSSA-N 486.311 4.266 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)c1ccc(Cl)cc1 409357575 JEYJFGBJGMEDSC-ZDLGFXPLSA-N 478.935 4.252 5 40 JIBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)c1cc(F)c(F)cc1Cl 2663949 HXLITASGRFISID-UHFFFAOYSA-N 459.839 4.068 5 40 JIBB COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1Cl 9233637 NGMXABFRTYSFAX-UHFFFAOYSA-N 467.869 4.317 5 40 JIBB CCCCn1c(SCc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)nc2cc(C(=O)OC)ccc2c1=O 9284184 VPPIWVDXFIOWOH-UHFFFAOYSA-N 495.517 4.234 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCCN12 408563974 BWMNHDSUEROJQQ-BGBNXGLDSA-N 473.504 4.459 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc2cc([N+](=O)[O-])ccc2s1 1747981 LEPSLPGDEXWFPF-UHFFFAOYSA-N 460.518 4.319 5 40 JIBB CCOC(=O)c1c(N)n(-c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2)c2nc3ccccc3nc12 1849197 CEOCFLNBHHQXNF-UHFFFAOYSA-N 496.483 4.493 5 40 JIBB COc1ccc(C(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccco2)cc1[N+](=O)[O-] 3431046 QYYIPXQXAJDPKT-UHFFFAOYSA-N 477.395 4.496 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 9797839 HTLXADRLYUFACF-UHFFFAOYSA-N 465.481 4.137 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 19818608 RFWNJPZHMKDPID-DHIUTWEWSA-N 470.485 4.260 5 40 JIBB O=C(CSc1cccc2cccnc12)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 20494412 QHQWUKSNPXVKAV-UHFFFAOYSA-N 486.556 4.163 5 40 JIBB O=C(C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 27017060 HIYOKYWZMJJLDY-HXUWFJFHSA-N 464.865 4.245 5 40 JIBB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccc(F)c([N+](=O)[O-])c2)c1 3416307 AXVZFSGOWIOAPB-CQSZACIVSA-N 455.467 4.126 5 40 JIBB CCOc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@H](C)C5)cc1 13810956 FULXVCMCYWIOSN-ZDUSSCGKSA-N 493.618 4.241 5 40 JIBB COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 100562477 OAHWDTQRGQNEJU-FSSWDIPSSA-N 479.876 4.308 5 40 JIBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223740796 PDUFYWMIMBZYDH-NRFANRHFSA-N 471.554 4.014 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408690121 ZSNPFLMNXZHVSM-ISZNXKAUSA-N 488.327 4.490 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1cccc(I)c1)C2=O 1421595 OALQUPFWDLFKMN-UHFFFAOYSA-N 498.232 4.231 5 40 JIBB O=C1[C@H]2CS[C@H](c3cccc([N+](=O)[O-])c3)N2C(=S)N1c1ccc(Br)cc1 3330730 YBUOLPRERCUDSU-GDBMZVCRSA-N 450.339 4.105 5 40 JIBB COC(=O)c1c(NC(=O)c2ccc(C)c([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C 8926591 OAFUEUZRZSBHLR-UHFFFAOYSA-N 459.524 4.375 5 40 JIBB COc1ccc([C@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@]32C)cc1 9334839 IFZCGEDPQUXAFJ-TZBSWOFLSA-N 459.458 4.045 5 40 JIBB CC[C@H]1c2ccsc2CCN1C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 12767153 GJDHWVBUBZTVGC-SFHVURJKSA-N 498.026 4.246 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)[C@H]1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1 13679729 PTUDSDFPMVIRIQ-ZDUSSCGKSA-N 472.350 4.082 5 40 JIBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC(NC(=O)c3ccc(F)cc3)CC2)CC1 25211917 KEKKFJYJJYSQHN-UHFFFAOYSA-N 468.529 4.005 5 40 JIBB O=C(O)/C(=C/c1cc(I)c(O)c([N+](=O)[O-])c1)Sc1nc2ccccc2o1 408634620 SNENBAKFMGLEKN-QPEQYQDCSA-N 484.227 4.264 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 409178414 HMNNPAOUCHXNJC-CAOOACKPSA-N 461.883 4.240 5 40 JIBB O=C1c2oc3ccc(Br)cc3c(=O)c2[C@H](c2cccc([N+](=O)[O-])c2)N1C[C@@H]1CCCO1 2411960 JDQLDTKEASDUES-KXBFYZLASA-N 485.290 4.188 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13811722 PKNFLNIAEUQHQA-DUOVIKOCSA-N 486.553 4.117 5 40 JIBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224192277 MLBJYUDXDPKOMJ-JOCHJYFZSA-N 483.565 4.157 5 40 JIBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 409241547 OHSDTGWBUXITRX-WOJGMQOQSA-N 496.863 4.048 5 40 JIBB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)NC(=O)c2ccccc2)cc1 811365 GAAXCGUOFBNQMY-JWGURIENSA-N 459.458 4.181 5 40 JIBB CCOC(=O)c1c(NC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)sc2c1CC[C@H](C(C)(C)C)C2 845134 DLUMNPNBYPFXRF-AWEZNQCLSA-N 462.572 4.436 5 40 JIBB O=[N+]([O-])c1nn(CCc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1Cl 2731427 ABWGKHVOYFBEFV-UHFFFAOYSA-N 483.316 4.320 5 40 JIBB Cc1ccc(-c2nc(COC(=O)C3CCN(S(=O)(=O)c4cc([N+](=O)[O-])ccc4C)CC3)co2)cc1 24580022 SHTUKFRLGADVTM-UHFFFAOYSA-N 499.545 4.011 5 40 JIBB CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 104096231 QXIDFEOJZZYFSR-UCQKPKSFSA-N 473.510 4.343 5 40 JIBB Cc1cccc(C)c1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409167550 JBYOQOCFTOGLMG-IBGZPJMESA-N 482.566 4.188 5 40 JIBB CC(=O)c1ccc(OCCCC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16046203 DAVHLGRPNFDAAE-UHFFFAOYSA-N 479.455 4.324 5 40 JIBB COc1ccccc1N1CCN(c2ccc(-c3noc(-c4ccccn4)n3)cc2[N+](=O)[O-])CC1 20894454 USCJDENTNXYBMD-UHFFFAOYSA-N 458.478 4.042 5 40 JIBB O=C1[C@H]2[C@@H](c3ccc(O)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 102706699 VWJBSAVAENSQEW-PWRODBHTSA-N 465.849 4.005 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223780807 LEPIWEODRRPCLL-MRXNPFEDSA-N 463.987 4.425 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408575364 WARAJLZLQPAGLZ-IUVRIDBFSA-N 491.519 4.372 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 409104597 FZMKCZOLTYUJGQ-YBFXNURJSA-N 456.476 4.162 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 409335227 ZNBUNURQMMTYPE-UHFFFAOYSA-N 455.540 4.465 5 40 JIBB Cn1cnnc1Sc1ccc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1[N+](=O)[O-] 13134039 DDWDNMXMVRNWNY-UHFFFAOYSA-N 490.549 4.112 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1F 18182479 YPBYBVVATNWJDL-QHAWAJNXSA-N 467.840 4.438 5 40 JIBB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3cc([N+](=O)[O-])ccc3OC)cc2)c(OC)c1 26504939 YIHUQZTWBHOJDM-UHFFFAOYSA-N 451.435 4.125 5 40 JIBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccc(Cl)cc12 35828083 VCOBWSSLVPVZKD-SNYIIPAISA-N 462.893 4.019 5 40 JIBB O=C(CCc1nc2ccccc2n(CCc2ccccc2)c1=O)OCc1ccccc1[N+](=O)[O-] 39475927 KVYZLPFAQCXRBQ-UHFFFAOYSA-N 457.486 4.223 5 40 JIBB O=C(CNC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)Nc1ccc([N+](=O)[O-])cc1 408560937 FVFUGDSXMOLYSK-UHFFFAOYSA-N 464.261 4.442 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2cc(Cl)c(Br)cc2C)CC1=O 408643018 QNBGLACHXFMEDX-NSHDSACASA-N 482.718 4.319 5 40 JIBB CCn1c(CSc2ccc([N+](=O)[O-])cc2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 9284312 WGOVLWMVTCJEJK-UHFFFAOYSA-N 460.581 4.431 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C 12911542 PYASGJSGYZFLOC-UHFFFAOYSA-N 460.508 4.106 5 40 JIBB CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18066565 LJXSTPREHRDJNC-FKBYEOEOSA-N 461.499 4.368 5 40 JIBB Cc1cc(C)c(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cccc([N+](=O)[O-])c2C)c(C)c1 20004833 ZBJCMXCADXXFIF-JOCHJYFZSA-N 481.574 4.357 5 40 JIBB CC[C@@H](C)N(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257438 MSYWEBHMRGBVDX-MRXNPFEDSA-N 454.483 4.168 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N(CC3CC3)c3ccc(Cl)c([N+](=O)[O-])c3)C2)s1 62591915 NAVDHXJKTZKRAD-MRXNPFEDSA-N 498.026 4.462 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccccc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101109616 QXRFPEHONSLZBW-FAJYDZGRSA-N 492.963 4.411 5 40 JIBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-] 408667399 QPELQEAWVFRZFM-UHFFFAOYSA-N 467.400 4.213 5 40 JIBB Cc1c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409335833 YXPJVTDPULFCNF-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COc1cc(-c2nnc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)o2)cc(OC)c1OC 9274701 CIRAHUHZOCHVNF-UHFFFAOYSA-N 456.436 4.138 5 40 JIBB CC1CCN(c2ccc(C(=O)OCC(=O)Nc3ncc(Cl)cc3Cl)cc2[N+](=O)[O-])CC1 9636221 UUXDDRFCAOZBSM-UHFFFAOYSA-N 467.309 4.328 5 40 JIBB COc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1[N+](=O)[O-] 14270634 FEECVNZPKBWXDK-UHFFFAOYSA-N 462.487 4.216 5 40 JIBB CSc1ccc([N+](=O)[O-])c(C(=O)NCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 89493836 VSIXABDKBDKAEW-UHFFFAOYSA-N 482.528 4.278 5 40 JIBB COc1cc(NC(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c(C)cc1[N+](=O)[O-] 102396048 OBHQSFUUSYOHGB-RKOMNEFPSA-N 481.343 4.127 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1cccc(Br)c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409373276 SVNIKIXBOPUIFH-YQORSWRPSA-N 475.298 4.234 5 40 JIBB CCCOc1ccc(-c2nc3s/c(=C\c4ccc(-c5cccc([N+](=O)[O-])c5)o4)c(=O)n3n2)cc1 1838022 AOWOCUYHAFFKEG-STZFKDTASA-N 474.498 4.323 5 40 JIBB CC(C)OC(=O)c1c2nc3ccccc3nc2n2c1nc(O)c1cc(I)ccc12 2198492 IWOWGUFTXWSGDD-UHFFFAOYSA-N 498.280 4.459 5 40 JIBB CN(C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCCO3 10066005 BJAOANFCWHQJAX-UHFFFAOYSA-N 484.559 4.399 5 40 JIBB NC(=O)[C@H](c1ccc(Cl)cc1)N1CCN(c2cc(Cl)c(C(F)(F)F)cc2[N+](=O)[O-])CC1 36656348 BTFQLDYKWGRJFG-KRWDZBQOSA-N 477.270 4.269 5 40 JIBB CCc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1 19856657 HMTGKTKFYUCSBQ-UHFFFAOYSA-N 453.520 4.300 5 40 JIBB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4[N+](=O)[O-])cc3)CC2)cc1 20528657 KMRDDPALWGUMQN-UHFFFAOYSA-N 458.518 4.372 5 40 JIBB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@@H]2C(C)=O 100539707 NSPDSWZRWYILBS-LZDSYCOUSA-N 498.146 4.015 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)cc1C 107603633 UMVRLJJLQXUSQY-UHFFFAOYSA-N 481.622 4.039 5 40 JIBB CCc1ccc([C@@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 225879610 LWXGDNVJQFXBDO-GOSISDBHSA-N 467.547 4.230 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408532969 OUAMGCJKZGKUQP-LJQANCHMSA-N 453.520 4.096 5 40 JIBB C[C@@H](OC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408644706 HJMIDEXGPJCEMZ-DYESRHJHSA-N 458.470 4.429 5 40 JIBB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)sc2c1 8835417 SYIFEYCVVULCPH-UHFFFAOYSA-N 498.590 4.280 5 40 JIBB COc1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@H]2[N+](=O)[O-])cc1 9462605 SEURAFXKYPYKPI-RCTAOEEJSA-N 471.469 4.499 5 40 JIBB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)CC2=O)cc1 13856797 IRRSPQMGGZJCPS-GOSISDBHSA-N 490.468 4.175 5 40 JIBB CCN(c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccccc1 19937943 XWDNOZWIHXWSBB-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20518863 NPZOYJXUMHPAFJ-TUGCOKMYSA-N 471.538 4.414 5 40 JIBB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62347524 FKVOZPUCWYIQCE-MRXNPFEDSA-N 483.956 4.263 5 40 JIBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 10120080 IZEKBWBTRMQDCZ-UHFFFAOYSA-N 458.474 4.416 5 40 JIBB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc([N+](=O)[O-])cc4)c3)o2)cc1 39762852 PGAGALPTTKTVEM-UHFFFAOYSA-N 459.418 4.158 5 40 JIBB C[C@@H](NC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2Cl)c1=N)c1ccccc1 101159018 AHBYJNHAYAQFCC-QGZVFWFLSA-N 483.959 4.321 5 40 JIBB COCc1cccc(NC(=O)c2ccc(CN(c3cccc([N+](=O)[O-])c3C)S(C)(=O)=O)cc2)c1 224863973 KSNPNXOZPRZXIS-UHFFFAOYSA-N 483.546 4.268 5 40 JIBB CCCCNC(=O)CC[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O 2967009 ACPMHOUVYHDKTL-FQEVSTJZSA-N 479.562 4.183 5 40 JIBB CCOC(=O)c1nn(-c2ccc(C)cc2)c(=O)c2c(NC(=O)Cc3ccc([N+](=O)[O-])cc3)scc12 9381447 NZLXKARDTGQBHN-UHFFFAOYSA-N 492.513 4.022 5 40 JIBB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3cc([N+](=O)[O-])cs3)cs2)cc1 10218538 RLQUMKJDTPYIAJ-UHFFFAOYSA-N 451.551 4.281 5 40 JIBB O=C(Nc1ccc(OC(F)F)c(Cl)c1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619049 QAUNHGIPQILARN-UHFFFAOYSA-N 460.784 4.207 5 40 JIBB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223516901 CPTDBHOXNQLQCM-IBGZPJMESA-N 457.596 4.204 5 40 JIBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 8645774 INVSTURNULYUBN-AREMUKBSSA-N 468.469 4.393 5 40 JIBB O=C(COC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1[N+](=O)[O-] 9492764 JWINHWPJNSLCKR-UHFFFAOYSA-N 483.289 4.226 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1cccc(NS(=O)(=O)c2ccccc2)c1 9714732 HGMVLESTHGYERQ-UHFFFAOYSA-N 454.489 4.258 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10333526 AWWPJFAVGFYCFL-UHFFFAOYSA-N 489.937 4.475 5 40 JIBB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)C1(C)C 12446074 RUGWGHHBGJIRFD-OFNKIYASSA-N 451.571 4.284 5 40 JIBB O=C(/C=C/c1cc([N+](=O)[O-])ccc1OC(F)F)Nc1ccc(S(=O)(=O)C(F)(F)F)cc1 12560085 KLHDQGXPWDHSHF-UNXLUWIOSA-N 466.340 4.142 5 40 JIBB CC1CCC(NS(=O)(=O)c2ccc(NCc3cccc(N4CCOC4=O)c3)c([N+](=O)[O-])c2)CC1 40149276 GBZLWJWSTZBVRW-UHFFFAOYSA-N 488.566 4.021 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43732322 LHWAUNQNILQLOD-LQNXUBFPSA-N 451.866 4.217 5 40 JIBB O=C1C[C@H](N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C(=O)N1c1ccccc1Sc1ccccc1 102988147 RKSVAHZIUDSBRL-QHCPKHFHSA-N 488.569 4.200 5 40 JIBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1nc(-c2ccc(Br)cc2)cs1 409201915 RBMKGKGNIDCWNJ-UHFFFAOYSA-N 462.281 4.276 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(-c3ccc(Cl)c([N+](=O)[O-])c3)c2ncn1C[C@@H]1CCCO1 2251214 IHIUNZVHIFEZDS-AWEZNQCLSA-N 476.880 4.024 5 40 JIBB COCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2284789 JABHTGCYKGPVDW-UHFFFAOYSA-N 464.323 4.001 5 40 JIBB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9157707 DAJMTWJDWDBVPX-UHFFFAOYSA-N 469.929 4.137 5 40 JIBB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(-n2ccnc2)c([N+](=O)[O-])c1 9730471 LUSOHETZWKCKCZ-OAQYLSRUSA-N 452.474 4.371 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1 10128780 PRXSUTRTOMKKNH-NRFANRHFSA-N 473.938 4.085 5 40 JIBB O=C(NC(=S)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc([N+](=O)[O-])cc1 35263606 XBPWOJYYWXOBCF-UHFFFAOYSA-N 480.889 4.176 5 40 JIBB CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1ccc([N+](=O)[O-])cc1 3375913 IDHVLWPMUODDKC-KRWDZBQOSA-N 457.335 4.497 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)N1CCCCCC1 9582263 ZMMYCBUQNNBIFA-CPNJWEJPSA-N 482.518 4.221 5 40 JIBB Cc1cc([N+](=O)[O-])cc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1C 10626571 BUBSQFKGZGQUQG-UHFFFAOYSA-N 462.915 4.268 5 40 JIBB COc1ccc([C@H]2C3=C(N=c4s/c(=C\c5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 166165781 GJTSNBIBTMWZKG-SJJVXOANSA-N 495.560 4.236 5 40 JIBB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc([N+](=O)[O-])ccc1Cl 408702178 KTJSPDQSGULNDL-UHFFFAOYSA-N 467.931 4.074 5 40 JIBB COc1ccc(Cn2c(-c3cccc([N+](=O)[O-])c3)nc3oc4ccccc4c(=O)c3c2=O)cc1 8836294 XDZFAUOFBZGGDK-UHFFFAOYSA-N 455.426 4.135 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 12889243 NAOKPTLYKPTQDO-XMMPIXPASA-N 467.547 4.284 5 40 JIBB COc1cc(NC(=S)NC(=O)c2ccc(OC)c([N+](=O)[O-])c2)ccc1NC(=O)c1cccs1 14276035 ATHDNVNIEOKQAM-UHFFFAOYSA-N 486.531 4.053 5 40 JIBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(Cl)cc1Cl 16384044 RPHLKCFAPBYQHC-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB COc1ccc2cc(Br)ccc2c1CC(=O)Nc1cc2c(cc1[N+](=O)[O-])OCO2 16756899 GZPFNCDYXRDMLM-UHFFFAOYSA-N 459.252 4.429 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19820124 QXPRZJTWGBCSSM-GOTSBHOMSA-N 470.485 4.260 5 40 JIBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC2CCCC2)c1 224016164 GQYKYAYOMCHTHW-SFHVURJKSA-N 485.606 4.313 5 40 JIBB CCOc1cc([N+](=O)[O-])cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c1O 409232618 RTRBBTFKKZNOMU-LZYBPNLTSA-N 477.882 4.028 5 40 JIBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1[N+](=O)[O-] 9190687 RNDMFISGLFKPIV-DEOSSOPVSA-N 484.867 4.403 5 40 JIBB O=C(CNC(=O)c1ccc(Cl)cc1)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10041849 FEHSGYFHVBUIOZ-JOCHJYFZSA-N 452.850 4.145 5 40 JIBB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc([N+](=O)[O-])cc3C(F)(F)F)n2N)cc1 10784877 MDVAZJKDWRSVDA-NSHDSACASA-N 466.445 4.014 5 40 JIBB COc1ccc([C@H](CNc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])N2CCOCC2)cc1OC 12509366 GHJLXKGNLDKNFF-DEOSSOPVSA-N 491.544 4.328 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCN(c3cc(Cl)c(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(C)c1 12546709 PJSJLRBWQFAUDJ-UHFFFAOYSA-N 477.892 4.395 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20519202 MRLJKSAARPAOIB-TUGCOKMYSA-N 471.538 4.414 5 40 JIBB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cc(OCC)c(OCc2ccccc2)cc1[N+](=O)[O-] 409335345 VYBLSIONOQMSNL-JOCHJYFZSA-N 485.562 4.271 5 40 JIBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)CC1 409356686 HBLKBEKSRNHXIS-XDHOZWIPSA-N 455.492 4.150 5 40 JIBB CCc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@H](C)CC3 1357295 UHASICRUNVBBCX-OAHLLOKOSA-N 465.579 4.249 5 40 JIBB CN(C)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c1 3170174 IWDRQGQJOXKEDP-UHFFFAOYSA-N 464.507 4.148 5 40 JIBB C[C@H]1CCCCN1C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12914242 NRCNDPQXGZLCST-AWEZNQCLSA-N 459.886 4.058 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19820541 UTHDCKOEGKSBNQ-ZEQRLZLVSA-N 484.512 4.303 5 40 JIBB O=C1S/C(=C\c2cc([N+](=O)[O-])ccc2N2CCOCC2)C(=O)N1Cc1ccc(Cl)cc1 106688525 VYIJXPXCFGBKLU-UNOMPAQXSA-N 459.911 4.321 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]21 408687720 UUIIJCMMYLZQOT-WNYOCNMUSA-N 453.882 4.003 5 40 JIBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc([N+](=O)[O-])c2C)C1 408700094 AUJHKCGQPVTUQS-SFHVURJKSA-N 475.567 4.075 5 40 JIBB Cc1c([C@@H](c2cccc([N+](=O)[O-])c2)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C 4147914 PEOVJICOPOEQEQ-HSZRJFAPSA-N 483.480 4.385 5 40 JIBB C[C@@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 8645773 INVSTURNULYUBN-SANMLTNESA-N 468.469 4.393 5 40 JIBB C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCC(=O)Nc2cccc(Cl)c2)n31 9344831 VBNAJTRPAONEGR-NSHDSACASA-N 484.010 4.496 5 40 JIBB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1[N+](=O)[O-] 14405155 RRKXUJUJMFKFBY-UHFFFAOYSA-N 491.529 4.450 5 40 JIBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2429741 CGCZYXDHYAHSEC-UHFFFAOYSA-N 463.925 4.372 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1-c1ccccc1Br 6878457 AZGHLLRJVBMBDC-UHFFFAOYSA-N 462.329 4.367 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cc(Br)ccc1Br 9468266 QHWOONQTEORIRT-UHFFFAOYSA-N 450.108 4.229 5 40 JIBB COc1ccc([C@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)cc1 22456729 UKGHYNWPTWKVIG-NRFANRHFSA-N 451.504 4.195 5 40 JIBB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nn12 57316921 GPMAQADMEMZMAP-UHFFFAOYSA-N 463.523 4.176 5 40 JIBB COc1cc([C@@H]2C=C(c3ccccc3OC)Nc3nc(C(F)(F)F)nn32)c([N+](=O)[O-])cc1OC 103419133 UOWSMVQEUITOTL-AWEZNQCLSA-N 477.399 4.287 5 40 JIBB Cc1noc(C)c1COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)cc1 3332091 UQHKRWIRDOLHQD-UHFFFAOYSA-N 459.842 4.228 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2)nnc1-c1ccc(Br)cc1 14071302 XIGGPJZSMZHBIB-UHFFFAOYSA-N 462.329 4.367 5 40 JIBB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 72230001 SSMGOPYMLKPQPK-QHCPKHFHSA-N 467.909 4.419 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224778651 AGBSEJPFDQNXSS-INIZCTEOSA-N 463.987 4.425 5 40 JIBB COc1cccc(C(=O)C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)c1 408690063 ZMIZRSFUZTTYOO-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB O=C(c1cc([N+](=O)[O-])ccc1Cl)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 4125290 ZYTPEZWJTHIQOL-UHFFFAOYSA-N 473.917 4.109 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc([N+](=O)[O-])cc3)cc2)c(C)c1 8399721 PWLKAPFQKFSICH-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB O=C(CSc1nnc(-c2cccnc2)n1CCc1ccccc1)Nc1ccccc1[N+](=O)[O-] 12495780 XJLUUVMDZAFFCS-UHFFFAOYSA-N 460.519 4.222 5 40 JIBB COc1ccccc1[C@H]1CC(=O)c2cn3nc(SCc4cccc([N+](=O)[O-])c4)nc3nc2C1 20796531 UFGSBKKUVCFKFX-OAHLLOKOSA-N 461.503 4.246 5 40 JIBB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)CC1 21578136 SYHZWKATQHQUQN-UHFFFAOYSA-N 474.945 4.348 5 40 JIBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2ccccc2[N+](=O)[O-])o1 22705451 XRYZXYXECSVFSE-UHFFFAOYSA-N 469.460 4.500 5 40 JIBB O=[N+]([O-])c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223329543 DEPHWWICOFVFKO-BULFRSBZSA-N 450.520 4.401 5 40 JIBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225327071 DJMVBZFDJICPEW-QHCPKHFHSA-N 467.566 4.402 5 40 JIBB CCOC(=O)c1ccccc1NC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1 907182 CVIAZWQOMFCWBZ-JWGURIENSA-N 459.458 4.181 5 40 JIBB CCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3cc(Cl)ccc3C)C2=O)[C@@H]1CC 9433955 QPSPXPBDNQUPDE-RDPSFJRHSA-N 484.940 4.377 5 40 JIBB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14269913 JCQXWDWHVHQPLM-UHFFFAOYSA-N 453.549 4.445 5 40 JIBB C[C@@H](NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1)C12CC3CC(CC(C3)C1)C2 14269930 XOUCXCCBCSQGQK-LJQCHSNASA-N 456.612 4.404 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3F)cc2)cc1[N+](=O)[O-] 21917093 LPSGFQRBNGXWNX-HNNXBMFYSA-N 457.483 4.334 5 40 JIBB Cc1ccc(CN(c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)cc2)S(C)(=O)=O)cc1 22231865 JVVOZNRYDBDESM-UHFFFAOYSA-N 483.546 4.195 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1cccc(C(F)(F)F)c1 22278246 FHJJWWXALHSSMV-UHFFFAOYSA-N 479.436 4.448 5 40 JIBB COc1ccccc1CCNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1OC 25285105 NIPRQNUQFQJXPE-UHFFFAOYSA-N 457.508 4.067 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224480263 XMDIJRUZSCLIET-GOSISDBHSA-N 452.338 4.388 5 40 JIBB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225424554 MKFNVGNBMFIOJA-JOCHJYFZSA-N 457.596 4.204 5 40 JIBB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 2635210 AIIGAFNERUPBDS-CSKARUKUSA-N 462.458 4.229 5 40 JIBB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)n2C)cc1 8861984 QXJMNDWAVXFFML-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CC(=O)c3ccc(C)c([N+](=O)[O-])c3)C2=O)cc1C 8966059 RWYYLTJDWYIOLA-SANMLTNESA-N 457.486 4.198 5 40 JIBB CS(=O)(=O)Nc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1 9352287 DFTPYKBIKXODIL-LJQANCHMSA-N 470.532 4.019 5 40 JIBB O=C(NCC12CC3CC(C1)CC(CNC(=O)c1cccc([N+](=O)[O-])c1)(C3)C2)c1cccc([N+](=O)[O-])c1 13549517 LVQHVCAFABIJRP-UHFFFAOYSA-N 492.532 4.249 5 40 JIBB O=C(c1ccc(-c2cccc([N+](=O)[O-])c2)o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 33532667 VZPFXVFMVLXOSX-UHFFFAOYSA-N 456.842 4.379 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c1 101185698 WFWHOMVDKSSNJY-VSKRKVRLSA-N 479.876 4.308 5 40 JIBB COc1cc(OC)cc(-c2nc(S/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCC3)C(=O)O)n[nH]2)c1 408630825 BJPPTLNUXHSRFX-UDWIEESQSA-N 497.533 4.215 5 40 JIBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1[N+](=O)[O-] 8922006 ANAJSRYVOBZWGK-XMMPIXPASA-N 466.877 4.264 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)c([N+](=O)[O-])c4)[C@@H]3C2=O)c1 9501937 YBVDIFBWHOGWLW-BDTNDASRSA-N 479.876 4.308 5 40 JIBB CSc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(NCc4ccccc4)c3)CC2)cc1 12371907 SNMNYZGCMBXRBJ-UHFFFAOYSA-N 498.630 4.440 5 40 JIBB O=C(N[C@H](OC[C@@H]1CCCN2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 16041355 DZCYACFALBXCCJ-DHSIGJKJSA-N 464.777 4.302 5 40 JIBB biogenic COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223074718 QLIXQRUANNCZSE-YADHBBJMSA-N 468.535 4.267 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]21 408677854 CCMRKDLEPZWWQQ-WNYOCNMUSA-N 453.882 4.003 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408681312 HRZNAQVYSOPGAX-LJHODMEESA-N 455.898 4.227 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccccc1 2091539 GLDJKNDPHNRWJW-IGKIAQTJSA-N 480.524 4.004 5 40 JIBB biogenic COc1cc(NC(=O)COc2ccc(Br)cc2Br)c(C)cc1[N+](=O)[O-] 9119521 KZNVESROMAJMNI-UHFFFAOYSA-N 474.105 4.454 5 40 JIBB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1 9633328 ZVDOEPTXXUSVOW-UHFFFAOYSA-N 476.313 4.080 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 13645922 KCPCMULNQZKOGI-HJOGWXRNSA-N 473.485 4.435 5 40 JIBB CCNc1ccc(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1[N+](=O)[O-] 32889019 BDRDXDHYOMNSCT-UHFFFAOYSA-N 451.552 4.108 5 40 JIBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 408674206 YFDABOCEBGUBPY-UHFFFAOYSA-N 469.277 4.445 5 40 JIBB Cc1cccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc([N+](=O)[O-])cc2)SCC3)c1C 2720070 GZLZEZIYCKABLK-UHFFFAOYSA-N 468.560 4.137 5 40 JIBB COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 2980296 XTYGGLVREYDTLP-HSZRJFAPSA-N 478.501 4.439 5 40 JIBB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3355483 WRHMWALMYGTCIS-LJQANCHMSA-N 462.886 4.003 5 40 JIBB Cc1nc2c(c(=O)n1C1CCCC1)c1nc3ccccc3nc1n2Cc1ccc2c(c1)OCO2 8836746 NAMSOWDMKWEBDF-UHFFFAOYSA-N 453.502 4.495 5 40 JIBB Cc1c(NC(=O)CN(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 9601301 JJMPAWUXEHYBRG-UHFFFAOYSA-N 455.492 4.100 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)cc2)C1=O)N1CCCCC1 409386466 LSOWHKCCYOXKRR-STZFKDTASA-N 481.530 4.223 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409411510 IDHVLFHIXCXIGD-QFIPXVFZSA-N 453.476 4.223 5 40 JIBB COc1ccc(OC)c(NC(=O)c2cc(C(=O)Nc3cc(OC)ccc3OC)cc([N+](=O)[O-])c2)c1 851624 DLLXTBDMGRMHNK-UHFFFAOYSA-N 481.461 4.134 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 8759142 KEOYYCQMRZKVST-UHFFFAOYSA-N 465.285 4.147 5 40 JIBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cc(Cl)ccc1Cl 16384027 PXBRLZOAHIUMCH-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)C[C@@H]1C(=O)Nc1ccc([N+](=O)[O-])cc1C 20798661 HTTUXASJSJIZNV-IBGZPJMESA-N 451.479 4.040 5 40 JIBB COc1ccc([C@@H](CNS(=O)(=O)c2ccccc2[N+](=O)[O-])c2c[nH]c3ccccc23)cc1 22456763 LFNHSCMKUDBMQY-LJQANCHMSA-N 451.504 4.195 5 40 JIBB COC(=O)c1ccc(N2CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC2)c([N+](=O)[O-])c1 36378225 YWXUAJWEOQAAHN-UHFFFAOYSA-N 459.502 4.053 5 40 JIBB aggregator O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2Cl)C(=O)N1c1ccc(F)cc1 102738085 XUFBQHDQWQSUOO-PCCBWWKXSA-N 467.840 4.438 5 40 JIBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222852279 GBTCTWGRQBOFNX-QFIPXVFZSA-N 473.595 4.169 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 408563995 BWTWINCXQPKNCA-LPVCTFIXSA-N 463.921 4.487 5 40 JIBB O=C(N/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)N1CCOCC1)c1ccc([N+](=O)[O-])cc1 8935131 UVSVLQPWNSPJFQ-MOHJPFBDSA-N 473.485 4.017 5 40 JIBB O=[N+]([O-])c1cccc(Cl)c1N1CCN(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CC1 9720468 RWYQNSBIMGUNFM-UHFFFAOYSA-N 450.731 4.066 5 40 JIBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223263395 RVMOWYJAAQPVFA-FQEVSTJZSA-N 471.554 4.013 5 40 JIBB O=[N+]([O-])c1ccc2c(c1)[C@@H]1Oc3ccc([N+](=O)[O-])cc3[C@H]3Oc4ccc([N+](=O)[O-])cc4[C@@H](O2)N13 226319577 VJUUKKWXCXXONU-NJYVYQBISA-N 464.346 4.287 5 40 JIBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c1 408906902 KCSCGTCIVRQZND-UHFFFAOYSA-N 470.463 4.173 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 409165443 YHUPALXDBJJNSN-UHFFFAOYSA-N 455.540 4.465 5 40 JIBB CCOC(=O)c1c(NC(=O)[C@H](C)OC(=O)c2cc([N+](=O)[O-])c(F)cc2F)sc2c1CCCC2 12739661 NTTNBVWKGAVYCL-JTQLQIEISA-N 482.461 4.174 5 40 JIBB CC(=O)Nc1ccc(-c2nnc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)o2)cc1 20847251 FVWXXKCSQZJZPA-UHFFFAOYSA-N 477.296 4.341 5 40 JIBB Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2cccc([N+](=O)[O-])c2)cc1C 27020055 BZABXNKALPAZPU-JOCHJYFZSA-N 458.474 4.208 5 40 JIBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222495060 DMTVCABOHFSYPO-DEOSSOPVSA-N 495.576 4.353 5 40 JIBB C[C@@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223162424 HMOFPJGBGLQLHH-GOSISDBHSA-N 479.558 4.156 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652901 INXWUVPPVMOFKQ-LMHXZZLNSA-N 481.291 4.398 5 40 JIBB Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 409027945 GYDPXXJXKIPJEG-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB Cc1ccc2cc(CN(CCc3ccccc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2c1C 914420 MRIYEONKOFIRII-UHFFFAOYSA-N 491.569 4.487 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCCc1ccccc1 1885996 IZJAFLJHGFLIDR-LEAFIULHSA-N 494.551 4.394 5 40 JIBB biogenic COc1cc2c(cc1NC(=O)COC(=O)c1cc(OC)c(OC)cc1[N+](=O)[O-])oc1ccccc12 3341032 BUDUREKJMNEQPJ-UHFFFAOYSA-N 480.429 4.316 5 40 JIBB CCOc1ccc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nnc2-c2cccnc2)cc1 3362405 MLCSZCXPYOYNDD-UHFFFAOYSA-N 476.518 4.367 5 40 JIBB O=[N+]([O-])c1ccc(CSc2nnc(-c3cccc(S(=O)(=O)N4CCCCC4)c3)o2)cc1 3477903 HTTJBHOGGUREQN-UHFFFAOYSA-N 460.537 4.112 5 40 JIBB Cc1ccc(C(=O)COC(=O)c2ccc3c(c2)C(=O)N(c2cccc([N+](=O)[O-])c2)C3=O)cc1C 4181970 RWJJBRLOPFTMMM-UHFFFAOYSA-N 458.426 4.052 5 40 JIBB CCCCN(CCCC)C[C@H](O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 9428109 SSAYYUVTNYJTOG-QHCPKHFHSA-N 477.627 4.362 5 40 JIBB O=C(Nc1nc2ccccc2c2nc3ccccc3n12)c1ccc(S(=O)(=O)N2CCCC2)cc1 9782596 TWQYJGKLCWEJGE-UHFFFAOYSA-N 471.542 4.073 5 40 JIBB CCC(=O)N1CCN(c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2Cl)CC1 14273393 ZRIQZQLNDQBHTM-UHFFFAOYSA-N 451.310 4.213 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1[N+](=O)[O-] 14276127 UNZYCYVTKVSAGJ-UHFFFAOYSA-N 478.530 4.302 5 40 JIBB CN(C)c1ccc(C(=O)c2ccccc2C(=O)NCc2cccc(Cn3ccnc3)c2)cc1[N+](=O)[O-] 24752057 YZCJESHECMRIMV-UHFFFAOYSA-N 483.528 4.067 5 40 JIBB O=C(NCCc1ccccc1)/C(=C/c1ccc([N+](=O)[O-])cc1)NC(=O)c1ccccc1Br 8721650 LLCDZQDDVYZYAE-JWGURIENSA-N 494.345 4.487 5 40 JIBB CCN1CCN(c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 9126632 OFHRXRNUNZMWBG-DEOSSOPVSA-N 498.587 4.327 5 40 JIBB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9715354 QOKDHOAODGTCSJ-UHFFFAOYSA-N 474.233 4.465 5 40 JIBB Cn1nnnc1Sc1ccc([N+](=O)[O-])cc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 13129666 KNDXHCOCFJKPRL-UHFFFAOYSA-N 458.809 4.194 5 40 JIBB O=C(N[C@H](OC[C@H]1CCCN2CCCC[C@@H]12)C(Cl)(Cl)Cl)c1ccccc1[N+](=O)[O-] 16041357 DZCYACFALBXCCJ-QIIPPGSGSA-N 464.777 4.302 5 40 JIBB biogenic O=C(c1ccccc1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 102772461 NPZOYJXUMHPAFJ-QTZVNIFKSA-N 471.538 4.414 5 40 JIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cc2nc(O)[nH]c2cc1N1CCN(c2ccccc2)CC1 408537310 ZXSUVJZRKZNPHZ-DHZHZOJOSA-N 484.516 4.155 5 40 JIBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409097134 HNZGEGYVOQOKDD-KGENOOAVSA-N 492.513 4.459 5 40 JIBB COC(=O)c1sc2ncn3nc(-c4ccc(COc5ccccc5[N+](=O)[O-])o4)nc3c2c1C 2804782 GQDXJXCABSHGPT-UHFFFAOYSA-N 465.447 4.181 5 40 JIBB Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c2ccccc2)cc1 3246559 MHXWGNCSJSZFSY-UHFFFAOYSA-N 450.476 4.349 5 40 JIBB O=c1oc2ccccc2c(O)c1C(c1ccccc1[N+](=O)[O-])c1c(O)c2ccccc2oc1=O 4512490 TUHSRMSCBAFLPJ-UHFFFAOYSA-N 457.394 4.399 5 40 JIBB Cc1c([N+](=O)[O-])cc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)cc1[N+](=O)[O-] 8989930 HFNYIIPGORRKPD-UHFFFAOYSA-N 452.814 4.451 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 9127669 SBELGLUMBYJONF-HIFRSBDPSA-N 489.579 4.222 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])cc1 9492378 RGZXPNQOVIYERU-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)cc2)CC1=O 10461824 FTQFTQOTVMGXTA-HNNXBMFYSA-N 458.902 4.088 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cc1[N+](=O)[O-] 12843667 AFGFSXVCEMQRPD-VGOFMYFVSA-N 486.528 4.218 5 40 JIBB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NS(=O)(=O)c2ccccc2[N+](=O)[O-])c1 39749772 XSWUFHQAECHZAU-UHFFFAOYSA-N 481.515 4.166 5 40 JIBB CCOc1cc([C@@H]2[C@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1OC 48287132 JVECPFSADRJXID-WEYGHZABSA-N 476.913 4.165 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 107770058 VMUAYMGCKZQBBA-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc(Br)c1OC 408570291 KTWKHRZVTROHKT-QGZVFWFLSA-N 479.356 4.466 5 40 JIBB COc1ccc(C(=O)C[C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1[N+](=O)[O-] 8991966 ZKMORYMJOIVSAK-GYAHLDOBSA-N 458.470 4.124 5 40 JIBB COc1ccc(C)cc1-n1c(SCC(=O)Nc2ccc(F)cc2[N+](=O)[O-])nc2ccccc2c1=O 9912385 OYTHMXVRNJZUQY-UHFFFAOYSA-N 494.504 4.481 5 40 JIBB CCC[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(c1)oc(=O)c1ccccc12 11867495 DWPJFDVVKNWFGB-JOCHJYFZSA-N 465.527 4.307 5 40 JIBB COc1cc2cc(C)c3nnc(SCC(=O)Nc4ccc([N+](=O)[O-])cc4C)n3c2cc1OC 12470141 WZIPGQRHSXRBHD-UHFFFAOYSA-N 467.507 4.156 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)cc2)c(C)c1 12482626 MAKLMHHGEVPYQQ-UHFFFAOYSA-N 470.463 4.173 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)N(C)c1ccc([N+](=O)[O-])cc1)CC2 12791608 PHMYXEFARGRISZ-SANMLTNESA-N 461.518 4.223 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cccc([N+](=O)[O-])c1)CC2 12998915 KOLJHEVSKGVOAU-QHCPKHFHSA-N 453.520 4.260 5 40 JIBB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCC)c([N+](=O)[O-])c2)cc1OC 32114768 HEJQJATYASRRKS-UHFFFAOYSA-N 474.539 4.258 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 96401697 CAHQPCBBYHCAHB-RWRBZCLOSA-N 478.461 4.491 5 40 JIBB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409368400 UGKAVJZDGJSHOB-IOXNAGQWSA-N 482.492 4.073 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)c1ccc(Nc2ncnc3ccccc23)cc1 9672601 BQIFLXVVLXRNQJ-OAHLLOKOSA-N 487.472 4.474 5 40 JIBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12 15956166 XTBYRSLXIVKFDF-XMMPIXPASA-N 495.553 4.172 5 40 JIBB biogenic CCOc1cc2c(cc1CNC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C)O[C@H](C)C2 24080843 LNWMMXMFZJMNSU-PEBXRYMYSA-N 489.956 4.041 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 198999205 HWJLUUFLOUQPQJ-LFBFJMOVSA-N 479.492 4.176 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3[N+](=O)[O-])o2)C1=O)N1CCCC1 205872815 NHMQQGBNUABTQZ-LICLKQGHSA-N 461.883 4.167 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 224644396 UHXUGFNZRVCCNC-UHFFFAOYSA-N 488.334 4.115 5 40 JIBB COc1ccc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224763468 WTQAFZZZVRJZMX-UHFFFAOYSA-N 487.509 4.269 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCc1nc2ccccc2s1 3362652 OVENQBQVEKNQRG-MRXNPFEDSA-N 479.967 4.453 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3C)o2)c([N+](=O)[O-])c1 9226297 GRBHIAAXJILRGJ-UHFFFAOYSA-N 464.887 4.258 5 40 JIBB O=C(NCCCCCc1nc(-c2cccs2)no1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 16786672 CZLBKEPBBVXLOK-UHFFFAOYSA-N 469.567 4.452 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(C)c(C)c1 101098659 DEALSFATRZKYEY-JVCXMKTPSA-N 486.572 4.148 5 40 JIBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223721337 OPBOKNPOWVRBLW-SFHVURJKSA-N 455.580 4.304 5 40 JIBB Cc1c(F)cccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409162066 CJJSFGUIUSCCKT-IBGZPJMESA-N 486.529 4.018 5 40 JIBB COc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 3182368 ZGRUNEMCFOIFMY-UHFFFAOYSA-N 465.849 4.157 5 40 JIBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1ccc(Cl)cc12 13630110 OVMSANJRRUYAHX-UTSGNWPNSA-N 462.893 4.019 5 40 JIBB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1 15881935 XZJQZVHSABILLF-UHFFFAOYSA-N 454.899 4.350 5 40 JIBB C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@@H](C(=O)Nc4ccccc4)C3)cc2[N+](=O)[O-])C1 17823492 OTJFYOGLOGFXQD-UYAOXDASSA-N 450.539 4.322 5 40 JIBB COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1OC 19816559 NLSCJSZCRNQJAV-MRXNPFEDSA-N 491.529 4.255 5 40 JIBB CCNc1ccc(C(=O)OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1[N+](=O)[O-] 25393508 RFFSJRCRNRYICM-ZDUSSCGKSA-N 489.550 4.185 5 40 JIBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225327107 DJMVBZFDJICPEW-HSZRJFAPSA-N 467.566 4.402 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCCN12 408567169 QDWGKLPMJDBUIZ-CLPFNFTISA-N 473.504 4.459 5 40 JIBB Cc1ccccc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)CC1 738591 OXAMAGKHLYSVCQ-UHFFFAOYSA-N 458.518 4.426 5 40 JIBB O=C(C[C@@H]1N=C2c3ccccc3N=C(SCc3cccc([N+](=O)[O-])c3)N2C1=O)NC1CCCCC1 2967960 XVZDKPWTASNBPK-NRFANRHFSA-N 491.573 4.326 5 40 JIBB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 8831415 QKQYKLIZBDYFIZ-UHFFFAOYSA-N 469.567 4.306 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1N[C@@H](Cc1ccccc1)c1ccccc1 9127275 ATWQNLPDDNPKQT-QHCPKHFHSA-N 467.547 4.012 5 40 JIBB CC(C)N1CCc2c(sc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)c2C(N)=O)C1 9390625 JZVZAOSZVNLBLA-UHFFFAOYSA-N 461.543 4.125 5 40 JIBB CCN1CCN(c2ccc(NC(=O)CCNc3ccc(C(F)(F)F)cc3[N+](=O)[O-])cc2)CC1 11950934 ZVIMGKRRSYOSAT-UHFFFAOYSA-N 465.476 4.196 5 40 JIBB O=[N+]([O-])c1ccc(CSC2=N[C@@H]3CS(=O)(=O)C[C@H]3N2c2cc(Cl)cc(Cl)c2)cc1 32640719 JDVQDGFBIYJXBI-IAGOWNOFSA-N 472.375 4.177 5 40 JIBB Cc1ccc(NC(=O)[C@@H](C)N2CCN(c3ccc([N+](=O)[O-])c4cnccc34)CC2)c(Br)c1 62417794 MQMPEDFVOXPTLS-MRXNPFEDSA-N 498.381 4.363 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(F)cc1 100820889 SPMAMVXVUAYINE-KRUMMXJUSA-N 488.519 4.211 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1Cl 197733803 WGBABJOQXUTMJA-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225497611 WORQLTFDRWYZAP-DEOSSOPVSA-N 477.586 4.214 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3F)cc1)[C@H]1CCCN12 408563981 BWMNHDSUEROJQQ-RAKSCHNQSA-N 473.504 4.459 5 40 JIBB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)c2)c(C)c1 408638647 CXAVFJJZZJOSQH-IBGZPJMESA-N 472.501 4.456 5 40 JIBB CC(C)OC(=O)c1cccc(N2C(=O)[C@@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)c1 409370103 LAHUWGBINZPNTF-WUIRLBBUSA-N 482.492 4.037 5 40 JIBB CCOC(=O)C1=C(c2ccccc2)Nc2[nH]c(SCC)nc(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 6016416 OHOXMLBINSZVSX-KRWDZBQOSA-N 478.530 4.322 5 40 JIBB O=C(COC(=O)Cc1ccccc1[N+](=O)[O-])Nc1cc(-c2ccccc2)nn1-c1ccccc1 9633867 OIDAKRFGRKQBAA-UHFFFAOYSA-N 456.458 4.172 5 40 JIBB Cn1cnnc1Sc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1[N+](=O)[O-] 9662308 LDPAYQZTFRDLNI-MDWZMJQESA-N 453.505 4.500 5 40 JIBB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1OC 14152744 CNQDWCWLVBEVBH-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB O=C1S/C(=C/c2ccc(I)cc2)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 15019185 GQFIYRLWPLNCPI-OQLLNIDSSA-N 466.256 4.436 5 40 JIBB COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCC3)n2)cc1OC 22257516 FATGUOUXDRBAMJ-UHFFFAOYSA-N 496.520 4.321 5 40 JIBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225030655 RXKRGOONMAZSKE-JOCHJYFZSA-N 483.565 4.239 5 40 JIBB CCc1nc(S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)O)n[nH]1 408631113 FBOYVSCHVZZFCZ-ZDLGFXPLSA-N 456.480 4.081 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686877 SNOIHSWLRHLNAA-UXHICEINSA-N 498.333 4.256 5 40 JIBB Cc1nc2c(c(=O)n1C[C@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2256733 JRATUPFMDFOXLS-QGZVFWFLSA-N 459.937 4.484 5 40 JIBB COc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccc([N+](=O)[O-])cc2)cc1 2980295 XTYGGLVREYDTLP-QHCPKHFHSA-N 478.501 4.439 5 40 JIBB CCOP(=O)(OCC)c1nc(Cc2ccc([N+](=O)[O-])cc2)oc1NCc1ccc2c(c1)OCO2 8868930 QOSFFYQWSQLSEX-UHFFFAOYSA-N 489.421 4.406 5 40 JIBB Cc1ccc(NC(=O)CC(=O)c2ccc([N+](=O)[O-])cc2)cc1S(=O)(=O)Nc1ccc(F)cc1 9631155 CPGQXJYYCMZTSC-UHFFFAOYSA-N 471.466 4.055 5 40 JIBB COC(=O)c1ccc2c(=O)n(C[C@@H]3CCCO3)c(S[C@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 24270209 IPCCXXNMHVZJRG-KDOFPFPSSA-N 469.519 4.124 5 40 JIBB O=C(Nc1cccc(CN2CCOC2=O)c1)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32936033 CVQFXNBOZPCGEP-UHFFFAOYSA-N 492.454 4.421 5 40 JIBB Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc(N)c4c(=O)oc5ccccc5c4n3)cc2)cc1 39379109 IJQCCGFVKRVZFX-UHFFFAOYSA-N 459.483 4.062 5 40 JIBB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223096536 DEAXZJMQEFGWFY-GOSISDBHSA-N 457.596 4.203 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]21 408650241 LZVMPGKDXAQXEF-SORVUCRQSA-N 495.919 4.074 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1 409355251 JTKPKBJJEAIPPL-CYBMUJFWSA-N 488.957 4.081 5 40 JIBB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 2634899 DCKYZXJFGOKNOW-UHFFFAOYSA-N 470.865 4.483 5 40 JIBB O=C(N[C@H](OC[C@@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 8914404 JKQCVFYUZYSNEZ-YXJHDRRASA-N 464.777 4.302 5 40 JIBB biogenic Cc1ccc(N2C(=O)[C@H]3[C@@H](C(=O)c4cccc([N+](=O)[O-])c4)N4C=Cc5ccccc5[C@@H]4[C@@H]3C2=O)cc1 9348606 OWGVCJCUKNFNLY-VPBXCIAMSA-N 479.492 4.302 5 40 JIBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)CC1 10010455 FMQWBFJNLKNHPU-UHFFFAOYSA-N 485.972 4.159 5 40 JIBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ccc(OC)cc2[N+](=O)[O-])cc1 20892694 NQCPREMKIKFPGW-QFIPXVFZSA-N 461.474 4.369 5 40 JIBB COc1ccccc1[C@@H]1C2=C(N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 40033058 AIRVQBFCLPWKRJ-GTWFGUSFSA-N 495.560 4.236 5 40 JIBB CN1C[C@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@@]12C(=O)Nc1ccc(Cl)cc12 43732472 DMTRXRCFCHCDJJ-JKHABCDFSA-N 462.893 4.019 5 40 JIBB O=[N+]([O-])c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C[C@@H]3CCCO3)o2)cc1 223329589 DEPHWWICOFVFKO-HSQYWUDLSA-N 450.520 4.401 5 40 JIBB O=C(O)c1ccc(-c2ccc(Br)cc2NS(=O)(=O)c2ccccc2[N+](=O)[O-])o1 226353806 RVPVCICJQCAEMB-UHFFFAOYSA-N 467.253 4.116 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565617 LNKQUYKVXIIMHU-FMNCTDSISA-N 463.921 4.441 5 40 JIBB CCOc1cc(/C=C/c2onc(C)c2[N+](=O)[O-])ccc1OCC(=O)Nc1ccc2c(c1)OCCO2 408608331 VVXFSBIGFIHNRA-VMPITWQZSA-N 481.461 4.249 5 40 JIBB Cc1cc([N+](=O)[O-])nn1C[C@H](C)c1nnc(Nc2ccn(Cc3ccccc3Cl)n2)s1 2732686 BFGIFBSYLZTFQF-LBPRGKRZSA-N 458.935 4.397 5 40 JIBB COc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1[N+](=O)[O-] 8921962 DYERCKXFIADWDV-DEOSSOPVSA-N 466.877 4.264 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])c(C)c3)cc2)cc1 9349105 ORTCZXANHMDHCL-UHFFFAOYSA-N 455.492 4.355 5 40 JIBB O=C(CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])OCC(=O)N1CCC(Cc2ccccc2)CC1 12640716 LLOSMLAJAJLQLQ-UHFFFAOYSA-N 479.455 4.050 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Br)cc3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13563259 YHLCVUANJFXJPX-NJDAHSKKSA-N 494.301 4.408 5 40 JIBB Cc1nc(-c2ccc(Oc3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3[N+](=O)[O-])cc2)no1 26227245 QDTFELZFVLNDKO-AWEZNQCLSA-N 458.496 4.166 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223095602 SAKZDLYUKWKSPR-LJQANCHMSA-N 457.596 4.470 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224440775 DOCXMFJWPFDZJN-SFHVURJKSA-N 452.338 4.388 5 40 JIBB COc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 408616960 DKWVTAOKWJKHSD-UHFFFAOYSA-N 489.594 4.336 5 40 JIBB Cc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(C)cc5C)c(=O)c5ccc(c2=O)c3c45)c(C)c1 629053 QGHAEWLVCRDBIU-UHFFFAOYSA-N 474.516 4.278 5 40 JIBB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9223053 CQIYJGCTEAFNAE-NSHDSACASA-N 456.509 4.226 5 40 JIBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)n2nc(-c3ccccc3)nc2N1 12561686 KRQGXEUKBQIDRR-NRFANRHFSA-N 453.462 4.176 5 40 JIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 80340527 WRMFHEPAIRFIMN-NKFKGCMQSA-N 454.394 4.472 5 40 JIBB COc1ccc(-c2c3oc4cc(O)ccc4c3nc3c2c(=O)[nH]n3C(C)C)cc1OCC(=O)O 85875961 QCGCWWSETWORIY-UHFFFAOYSA-N 463.446 4.050 5 40 JIBB biogenic O=C(OCc1ccc([N+](=O)[O-])cc1)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1 89861336 JWXBQZMKQCYKTQ-UHFFFAOYSA-N 472.906 4.357 5 40 JIBB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224281077 ILXFBVYGGKQZTP-KRWDZBQOSA-N 461.559 4.157 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1F)[C@@H]1CCCN12 408567848 RYNXLMUJXSFBKE-UQBYDPJISA-N 473.504 4.459 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2F)cc1 408587088 PYFLAPLIVMKLRA-UHFFFAOYSA-N 471.510 4.180 5 40 JIBB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c([N+](=O)[O-])c3)C2)cc1 408640887 KDLJZOTZXPIDDY-SFHVURJKSA-N 453.495 4.242 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408729049 XGSOJBRUFCMMJS-LSSDNNNWSA-N 454.482 4.348 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c(C)c1 409132062 KVDGUOIJFGUVQM-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB COc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)c([N+](=O)[O-])c1 8832241 QGBVCQKWPWUMCJ-UHFFFAOYSA-N 460.078 4.389 5 40 JIBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1C(=O)N1CCCCCC1 26120497 FTYPQAWLLADMEW-UHFFFAOYSA-N 463.581 4.442 5 40 JIBB O=C1S/C(=C/c2ccc([N+](=O)[O-])cc2)C(=O)N1Cc1ccc(I)cc1 215195810 IJBWJMSBURUJPZ-OQLLNIDSSA-N 466.256 4.436 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)o1 260917898 JQJLDLXKSROAEC-ZGNKEGEESA-N 480.546 4.410 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408566701 OKYFVAKWFIQCCZ-UYDITSSVSA-N 491.519 4.325 5 40 JIBB COc1cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408568994 VNRZVZIGADVURK-PBPLDAPSSA-N 485.540 4.329 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408678866 DOXHJJVANWTTGI-HZPDHXFCSA-N 474.300 4.410 5 40 JIBB Cn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1cccc([N+](=O)[O-])c1 409147880 WHOHEFKWLYNHJF-UHFFFAOYSA-N 497.518 4.153 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409261873 FRMAVMAFDCFZQQ-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB COC(=O)c1c(NC(=O)c2ccc([N+](=O)[O-])cc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 2100634 NGWSBLQQPUXTNV-UHFFFAOYSA-N 484.446 4.164 5 40 JIBB CCOC(=O)c1c(N)n(CCCOC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 3187823 YJMQNIRXRBZSTH-UHFFFAOYSA-N 497.895 4.152 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(CCCCCCO)S(=O)(=O)c1ccc2ccccc2c1 3671485 SJBUZQBZNMATPP-UHFFFAOYSA-N 456.520 4.132 5 40 JIBB COc1ccc(C2=NN(S(=O)(=O)c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)C2)cc1OC 4142143 ZAJWTTXFKYLGPT-OAQYLSRUSA-N 467.503 4.152 5 40 JIBB COCCOC(=O)C1=C(C)Nc2nc(SCc3cccc(C)c3)nn2[C@H]1c1ccccc1[N+](=O)[O-] 9427088 YEPSHKVKWUBXJJ-NRFANRHFSA-N 495.561 4.266 5 40 JIBB COc1ccccc1CNc1nc(NCc2ccccc2OC)n(C(=O)c2ccccc2[N+](=O)[O-])n1 9948517 AFVNEOIMJPYTMT-UHFFFAOYSA-N 488.504 4.116 5 40 JIBB CCC(CC)C(=O)Oc1c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1 17269013 RXWQCUQCYKQBEP-UHFFFAOYSA-N 457.508 4.263 5 40 JIBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc([N+](=O)[O-])c4)c(=O)n31)c1ccccc1CC2 40033057 UFQWVJHHJDITAR-SJJVXOANSA-N 495.560 4.236 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101101092 CRSHJJLCHCJJQQ-OLFWJLLRSA-N 472.545 4.066 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccc(F)cc3)cc1)[C@H]1CCCN12 408569804 XYYPGRIXRFTLRT-RAKSCHNQSA-N 473.504 4.459 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408681307 HRZNAQVYSOPGAX-BJZITVGISA-N 455.898 4.227 5 40 JIBB O=C(O)[C@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 408987083 AFSVFWWIFKXCDM-IAQYHMDHSA-N 464.506 4.052 5 40 JIBB O=C1N/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C(=O)N1Cc1ccccc1 409199710 JFTVYEKSUNABGE-XDHOZWIPSA-N 460.402 4.388 5 40 JIBB COCCCn1c(Sc2ccc(S(C)(=O)=O)cc2[N+](=O)[O-])nnc1-c1ccccc1Cl 9127809 ZNZDGFLQXPNOMM-UHFFFAOYSA-N 482.971 4.098 5 40 JIBB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)cc1OCc1ccccc1 9540131 UNPKZCPSINZIGR-DEOSSOPVSA-N 488.500 4.449 5 40 JIBB Cn1ncc2c(S[C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)ncnc21 11677216 SZPYCVQMILSAPC-KRWDZBQOSA-N 454.899 4.397 5 40 JIBB COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 12564018 JPSHLIXBQKKBNL-XMMPIXPASA-N 488.500 4.449 5 40 JIBB CCOC(=O)C1CCN([C@@H](c2ccc([N+](=O)[O-])cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 36666266 YCQQNUGNQNTCRH-SFHVURJKSA-N 497.533 4.029 5 40 JIBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1 408551309 HGXCMODIVCQYLO-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408683566 LPTGORBAPDQXLK-VQTJNVASSA-N 453.882 4.147 5 40 JIBB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 409010333 JWMFUFSNLAOAOH-GZTJUZNOSA-N 476.401 4.401 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@H](C)C5)cc1 2238596 VOOMITAYTBUIRX-ZDUSSCGKSA-N 463.592 4.151 5 40 JIBB COc1ccc(N(CC(=O)NCC2CCCCC2)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 9439432 GKYBWBUGCJDKRH-UHFFFAOYSA-N 495.985 4.149 5 40 JIBB Cc1nc2ccccc2c(=O)n1-c1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)cc1 9707399 ITLSXBWCPJMIKJ-UHFFFAOYSA-N 470.894 4.057 5 40 JIBB COc1ccccc1N1CCN(c2ccc(-c3nc(-c4cccnc4)no3)cc2[N+](=O)[O-])CC1 20897890 RQUHYMBYUMRMKS-UHFFFAOYSA-N 458.478 4.042 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(Cc4cccc(O)c4)CC3)c([N+](=O)[O-])c2)c(C)c1 68834343 XOSPNMOPWGOKCX-UHFFFAOYSA-N 496.589 4.040 5 40 JIBB COc1ccc(-n2c(C)nnc2S[C@H](C[N+](=O)[O-])c2ccc(OC)c(Br)c2)cc1 408573493 SZJLTZOESCTERG-GOSISDBHSA-N 479.356 4.466 5 40 JIBB COc1ccccc1-n1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1O 2072192 BAUIMHKZCQZDRW-UHFFFAOYSA-N 477.502 4.288 5 40 JIBB COc1ccc(CCn2c(-c3ccc(C)cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 2198079 AHRWKPKHLXYGGB-UHFFFAOYSA-N 481.552 4.484 5 40 JIBB O=[N+]([O-])c1cnn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)c1 2731014 KXVRPQZHYXVCEU-UHFFFAOYSA-N 465.326 4.181 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccccc3[N+](=O)[O-])cc2)cc1C 9191900 IPHMADPCVIJVRT-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(Sc2nncn2C)c([N+](=O)[O-])c1 9373423 BMVZCPNDDGRKAG-AWEZNQCLSA-N 469.523 4.184 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 9714712 SFUINKYZAUBLPR-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCC[C@@H]1c1ccccc1 9894975 CJXXBPSCCWGYRO-HXUWFJFHSA-N 477.970 4.013 5 40 JIBB CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900933 MBGMRBGMWCVWOK-FQEVSTJZSA-N 486.981 4.166 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@H]3[C@@H]2C1=O 199107487 NZIIGMMMXFUKHO-QORCZRPOSA-N 479.492 4.176 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(-c3cccc(C(F)(F)F)c3)c2ncn1C[C@H]1CCCO1 2256044 SNILJMCHJBQRJI-MRXNPFEDSA-N 465.435 4.481 5 40 JIBB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1C 6878385 WIFOMUWAGMRVHP-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1[N+](=O)[O-] 35272428 KZZZURBMQUBMAY-UHFFFAOYSA-N 451.822 4.310 5 40 JIBB COc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2C)cc1CN(c1ccc(F)cc1)S(C)(=O)=O 224763543 VAQQRRFSYNEJRR-UHFFFAOYSA-N 487.509 4.269 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]12 408689207 XVCJYJPIFMRGPH-XMCHAPAWSA-N 453.882 4.003 5 40 JIBB O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917106 MSTNGCMWYJIJIG-SOFYXZRVSA-N 463.265 4.323 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C1=O)N1CCc2ccccc2C1 409356602 GEOZVQBHMFNLRQ-LPYMAVHISA-N 489.509 4.476 5 40 JIBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c([N+](=O)[O-])cc1OC 3527847 GELDARKDZNQHFA-JTQLQIEISA-N 493.444 4.198 5 40 JIBB CN[C@@H]1C[C@H]2O[C@@](C)([C@H]1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4 3873925 HKSZLNNOFSGOKW-DNKQQSKKSA-N 466.541 4.354 5 40 JIBB biogenic,in-vitro COc1ccc2c(c1OC)c(=O)n1c3ccc(O[C@H](C)C(=O)NCc4ccco4)cc3c3ccnc2c31 8792442 QYTFSNORNAZCEY-OAHLLOKOSA-N 497.507 4.286 5 40 JIBB biogenic CCOC(=O)c1ccc(NC(=S)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])cc1 9076600 OLHFBTBNTAADGQ-UHFFFAOYSA-N 456.446 4.189 5 40 JIBB CCN1CCN(c2ccc(C(=O)N[C@H](Cc3ccccc3)c3nc4ccccc4[nH]3)cc2[N+](=O)[O-])CC1 9126633 OFHRXRNUNZMWBG-XMMPIXPASA-N 498.587 4.327 5 40 JIBB Cc1sc2ncnc(N3CCC(C(=O)Nc4nnc(-c5cccc([N+](=O)[O-])c5)o4)CC3)c2c1C 9223683 HRICTZLKPRLCAI-UHFFFAOYSA-N 479.522 4.121 5 40 JIBB C[C@H](NC(=O)COC(=O)c1cc([N+](=O)[O-])ccc1N1CCCC1)C12CC3CC(CC(C3)C1)C2 12623328 JURGRRDRSIALTM-DUXBZUBYSA-N 455.555 4.073 5 40 JIBB Cc1cc([N+](=O)[O-])c(Cl)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14271078 KMGODWCFEGEEJH-UHFFFAOYSA-N 463.903 4.192 5 40 JIBB O=C(Nc1ccccc1[N+](=O)[O-])N1CCN(Cc2nc(-c3cccc(C(F)(F)F)c3)no2)CC1 40038957 DJWPUGPZYYQJRE-UHFFFAOYSA-N 476.415 4.013 5 40 JIBB CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12 8857559 HPBKDRISLVCUCY-UHFFFAOYSA-N 480.882 4.221 5 40 JIBB CCOc1cc(/C=C/c2nc3ccc([N+](=O)[O-])cc3s2)ccc1OCC(=O)N1CCOCC1 16043642 QHHLJPRTXLONAF-XBXARRHUSA-N 469.519 4.011 5 40 JIBB COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 101166464 JOMCFRDCHSYCOG-FKBYEOEOSA-N 495.875 4.014 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N(Cc1ccc(C(=O)NC[C@H](C)c2ccccc2)cc1)S(C)(=O)=O 260842697 RICOUDPULQPKPN-SFHVURJKSA-N 497.573 4.103 5 40 JIBB COc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(C[C@H]4CCCO4)cnc32)cc1Cl 2253235 YYPXKFMHYJIBTN-OAHLLOKOSA-N 461.909 4.125 5 40 JIBB COc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2[C@@H](C)N2CCCCC2)cc1 9671063 SWWGOTBSQFTBQT-QGZVFWFLSA-N 496.593 4.462 5 40 JIBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 19164674 GEKVYHCAZAYHKP-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20480068 YZFQNJXDLGMXEG-KIHHCIJBSA-N 471.513 4.121 5 40 JIBB COc1c([N+](=O)[O-])cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1[N+](=O)[O-] 20529101 XGXDASKLRLHYEH-UHFFFAOYSA-N 454.233 4.070 5 40 JIBB COc1cc([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(OC)c1OC 408572068 QOBKMMPCPBOUJE-SFHVURJKSA-N 464.931 4.365 5 40 JIBB COC(=O)c1c(NC(=O)COC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc2c1CCCCC2 3296110 KZAAOZALALIPEY-UHFFFAOYSA-N 466.899 4.161 5 40 JIBB aggregator Cc1sc2nc(/C(=C\c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)N3CCCC3)[nH]c(=O)c2c1C 9339514 CIGBTAZDLXUZCL-NTEUORMPSA-N 458.927 4.326 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13541227 QHZSRBHYUUQZRB-TUGCOKMYSA-N 486.553 4.117 5 40 JIBB CCn1c(CNC(=O)c2ccccc2Br)nnc1SCc1ccc([N+](=O)[O-])cc1 18201314 IJMPXWBWAAEMPU-UHFFFAOYSA-N 476.356 4.191 5 40 JIBB COc1cccc(C2=N/C(=C/c3ccc(OC(=O)c4cccc([N+](=O)[O-])c4)c(OC)c3)C(=O)O2)c1 20274123 POCKGDANRMXSFM-RGVLZGJSSA-N 474.425 4.176 5 40 JIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 39748357 PCRCOXBIZGPUCE-UHFFFAOYSA-N 470.656 4.206 5 40 JIBB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223808132 SMVYTYJQNSQZMX-FQEVSTJZSA-N 491.972 4.359 5 40 JIBB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225303139 QNYQFDRYXGRFIY-QHCPKHFHSA-N 467.566 4.402 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225520633 CBCXWQNTHNVVDP-WIYYLYMNSA-N 471.554 4.013 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409133932 RBOMTTLEERTLLN-DEDYPNTBSA-N 458.492 4.255 5 40 JIBB COc1ccc(C(=O)OCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1[N+](=O)[O-] 2649404 BWKRLPWBOPQRQX-UHFFFAOYSA-N 455.492 4.448 5 40 JIBB CC1CCC(NS(=O)(=O)c2ccc(NCc3ccc(Cn4ccnc4)cc3)c([N+](=O)[O-])c2)CC1 9595308 BTVOLZTVDATMHK-UHFFFAOYSA-N 483.594 4.309 5 40 JIBB COc1ccc(C)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1C)S(=O)(=O)c1ccccc1 14413094 YLPUVBWGADNQMA-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 408622955 QHORCYIPNOFCQT-ZRDDSIGQSA-N 475.844 4.033 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408679309 DRSLBRRZRQVDPA-LSBZLQRGSA-N 455.898 4.227 5 40 JIBB CC(C)[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)N1CCC(C(=O)c2ccccc2)CC1 12786645 YIGKWMPEVNEFMY-NRFANRHFSA-N 471.941 4.124 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccco2)cc1[N+](=O)[O-] 13425371 ZRRREFSGKKDUIZ-UHFFFAOYSA-N 465.491 4.239 5 40 JIBB O=C(CN1CCN(c2ccc([N+](=O)[O-])cc2)CC1)Nc1nc(-c2cc3ccccc3o2)cs1 32865616 CHSVEBOQZUTFLS-UHFFFAOYSA-N 463.519 4.225 5 40 JIBB CN1C(=O)[C@H](NC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21 95929356 SQLUAXKRPJLTLZ-NRFANRHFSA-N 463.881 4.210 5 40 JIBB CCCCCn1/c(=N\C(=O)/C=C/c2ccccc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101129435 HBQGTEADCGTTSR-ZGIYRLEQSA-N 498.583 4.465 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccc(F)cc1 102766341 MIZCSTOGSNAMQH-HKBOAZHASA-N 467.840 4.438 5 40 JIBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1ccc(Br)cc1 106723710 UXCZDQWERNCCQO-SOFYXZRVSA-N 463.265 4.323 5 40 JIBB COc1ccccc1Oc1ccc(N2C[C@H](C(=O)OCC(=O)c3cccc([N+](=O)[O-])c3)CC2=O)cc1 408639760 YTHIMJDDGXYQHJ-GOSISDBHSA-N 490.468 4.175 5 40 JIBB CC(=O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc([N+](=O)[O-])c2)c1 8951414 ZLMWFEBCACAJAM-UHFFFAOYSA-N 463.475 4.285 5 40 JIBB Cc1cc(OCC(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCCCC4)c3)CC2)ccc1Cl 16282301 QGDHUFRRVKPSPR-UHFFFAOYSA-N 472.973 4.275 5 40 JIBB CC(C)C(=O)Oc1cn(CCCN2CCOCC2)c2nc(C(C)C)n3c4ccccc4nc3c12 20403662 GACLEKXPOQOTFW-UHFFFAOYSA-N 463.582 4.244 5 40 JIBB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(OCc2ccc([N+](=O)[O-])cc2)c1 25310647 RADWBUPPKVVXEO-XMMPIXPASA-N 463.490 4.395 5 40 JIBB Cc1ccc(NC(=O)C[C@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 26688796 MNHFDVUJOPMTRR-QFIPXVFZSA-N 458.474 4.208 5 40 JIBB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1 408989602 UFKYWGUOVIODRY-NDENLUEZSA-N 458.426 4.476 5 40 JIBB CNc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](C)c3ccc4ccccc4c3)CC2)cc1[N+](=O)[O-] 12589935 AMIKMWVHGVNWIS-KRWDZBQOSA-N 496.589 4.068 5 40 JIBB CCOc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1Cl 16692362 QTUNDDBFKKRIHR-UHFFFAOYSA-N 483.377 4.137 5 40 JIBB Cc1cc(=O)c(C(=O)Nc2ccc(-c3nc4ccccc4n3C)cc2)nn1-c1ccccc1[N+](=O)[O-] 65589163 FBBYXGLVZWNFGD-UHFFFAOYSA-N 480.484 4.255 5 40 JIBB COc1ccc(Cl)cc1-c1nnc(S/C(=C/c2cc([N+](=O)[O-])cc(OC)c2O)C(=O)O)o1 408631668 GDMVSLBMGHBZPU-GIDUJCDVSA-N 479.854 4.239 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 409069742 WCDBWIDCNUXABU-RGVLZGJSSA-N 477.448 4.414 5 40 JIBB CC(=O)N(c1cccc(C)c1)c1nc(CN2C(=O)N[C@@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cs1 11610388 WKRBERBDJDWGGR-QHCPKHFHSA-N 479.518 4.012 5 40 JIBB CCOc1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c([N+](=O)[O-])c1 13522462 VZBNWEHABNNULO-UHFFFAOYSA-N 474.561 4.339 5 40 JIBB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc([N+](=O)[O-])c4)ccc32)cc1 20766144 WWVAPAUAEPGGJV-UHFFFAOYSA-N 451.504 4.297 5 40 JIBB COc1cc(/C=C\c2nc(O)[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1cccc(F)c1 32690727 BOTVTVFBXYKSLN-WAYWQWQTSA-N 492.257 4.043 5 40 JIBB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 32971843 WIRJLGBGHGLDLX-UHFFFAOYSA-N 485.928 4.186 5 40 JIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546841 JQTZLNSGAZKAIW-YADARESESA-N 464.591 4.334 5 40 JIBB CCCCn1/c(=N\C(=O)c2c(F)cccc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101176580 WBGNYQGWCHRDOW-IADYIPOJSA-N 496.926 4.160 5 40 JIBB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc([N+](=O)[O-])c1O 106724560 IOXVNPOHKQQYJH-NVNXTCNLSA-N 465.281 4.308 5 40 JIBB COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc2)c1 408563786 PTTMTWAVILWIPN-UHFFFAOYSA-N 491.909 4.319 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408685646 PQKDUWCFRHBIRL-KYJSFNMBSA-N 455.898 4.227 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 409362397 UPCKNDVHZDXBJA-UHFFFAOYSA-N 481.958 4.185 5 40 JIBB COc1cc(/C=C(/NC(=O)c2ccccc2)c2nc3ccc([N+](=O)[O-])cc3[nH]2)cc(OC)c1OC 8652857 CEXWZNYRQWATKW-RGVLZGJSSA-N 474.473 4.425 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC[C@H](c2nc3ccccc3[nH]2)C1 9219640 FGXROTWYHNJZMI-KRWDZBQOSA-N 469.567 4.030 5 40 JIBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2Cl)CC1 14277232 IXOHMYJJKYJNHO-UHFFFAOYSA-N 499.980 4.387 5 40 JIBB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)CC2 16002232 BUJPDQHWQLDPLM-QHCPKHFHSA-N 463.446 4.308 5 40 JIBB O=C(NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 22705454 KTLDBEAECNECGQ-UHFFFAOYSA-N 469.460 4.500 5 40 JIBB COc1ccccc1[C@H](CNC(=O)c1ccc(Cn2nc(C)c([N+](=O)[O-])c2C)cc1)N1CCCCC1 68734292 HJQUAVWZSCWVDA-DEOSSOPVSA-N 491.592 4.422 5 40 JIBB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)C(=O)[C@@H]2C1 100794411 OWFNTBBKSTWTDP-DOPJRALCSA-N 484.892 4.214 5 40 JIBB COc1ccc(C(=O)N/C(=C\c2ccc([N+](=O)[O-])cc2)C(=O)Nc2ccc(C(C)=O)cc2)cc1 657842 JTSMOHOWNZDWFC-HAHDFKILSA-N 459.458 4.216 5 40 JIBB CC1CCN(c2ccc(C(=O)N(C)CC(=O)Nc3ccc(OC(F)(F)F)cc3)cc2[N+](=O)[O-])CC1 13076052 RXIKDTWDTLKGLG-UHFFFAOYSA-N 494.470 4.440 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 14155247 ZYGZTQIICWGRSE-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4c(c5c6c(n2c5c31)CCCC6)C(=O)NC4 22066862 KIZWKTROWIIMNN-FYTWVXJKSA-N 470.573 4.080 5 40 JIBB in-vitro COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C3CCCC3)n2)cc1 22257456 AEZPWRCRTOOYCX-UHFFFAOYSA-N 466.494 4.312 5 40 JIBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223868714 XJKNQNHYILHVFY-QGZVFWFLSA-N 473.570 4.443 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408569793 XVPFJEJYAYAGTB-FBQMUFCQSA-N 491.519 4.325 5 40 JIBB CCOc1c(I)cc(C(=O)Nc2ccc(C)cc2[N+](=O)[O-])cc1OC 408620372 MCXILOCARBZHIM-UHFFFAOYSA-N 456.236 4.167 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2CC=CC[C@H]2C1=O 408686833 SIDHGSFDEZOMNO-QZTJIDSGSA-N 474.300 4.410 5 40 JIBB COC[C@@H](C)n1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 2619725 CFAWBFPDKNUHFH-CHWSQXEVSA-N 476.942 4.285 5 40 JIBB COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 6142148 OAHWDTQRGQNEJU-VSKRKVRLSA-N 479.876 4.308 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 8832480 SAJJKNWFTZQQHI-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB O=C(CSc1ccc(Br)cc1)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9283987 FBSFCVRTDYXKIU-UHFFFAOYSA-N 450.270 4.243 5 40 JIBB Cc1ccc(Cl)cc1NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1 20239107 KHQTZNQXZVKOON-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccc([N+](=O)[O-])c(C)c2)c1 57222668 HHZJIZDXLLRWIG-UHFFFAOYSA-N 488.544 4.264 5 40 JIBB CCc1ccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)cc1 409137086 TWNORYDKWWHALF-NRFANRHFSA-N 496.593 4.144 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 8836924 HWJLUUFLOUQPQJ-CGBRIMPHSA-N 479.492 4.176 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4ccc(Cl)c([N+](=O)[O-])c4)o3)C2=O)cc1 9324014 XMALJQAYPPFNQP-WOJGMQOQSA-N 480.864 4.348 5 40 JIBB CCN(CC)S(=O)(=O)c1cc2c(SCC(=O)O)c3cccc(OC)c3nc2cc1Cl 9427898 KBJACCFHOWIIHT-UHFFFAOYSA-N 468.984 4.257 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 9612645 RYQXCSYOPKVHRV-OAQYLSRUSA-N 481.530 4.212 5 40 JIBB O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1)[C@@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187164 OJVCMNNDHKLNEX-AWEZNQCLSA-N 498.995 4.225 5 40 JIBB C[C@H](NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3)c3cc([N+](=O)[O-])ccc3n2)cc1)C(=O)O 13317138 QSJHRBWRJRKUST-HNNXBMFYSA-N 477.498 4.228 5 40 JIBB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14271960 FKSQSAZZJMBOIE-UHFFFAOYSA-N 459.462 4.195 5 40 JIBB COc1ccccc1N1CCN(c2ccc(-c3noc(-c4ccncc4)n3)cc2[N+](=O)[O-])CC1 20894396 PXMYGRFVEUNKKJ-UHFFFAOYSA-N 458.478 4.042 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)Nc1ccccc1 106711437 WXQZONXSCNBDCU-DHDCSXOGSA-N 462.281 4.032 5 40 JIBB Cc1[nH]n(-c2ccccc2)c(=O)c1C(c1ccccc1[N+](=O)[O-])c1c(C)[nH]n(-c2ccccc2)c1=O 137037963 OQBZZOGHVDUCFG-UHFFFAOYSA-N 481.512 4.350 5 40 JIBB COc1cc(/C=C2/N=C(c3ccco3)OC2=O)ccc1OC(=O)/C=C/c1ccc([N+](=O)[O-])cc1 409190874 AEQWFYPHFKQFEI-TYUKPDHWSA-N 460.398 4.160 5 40 JIBB Cc1ccc(Nc2c([N+](=O)[O-])cc(C(=O)N3CC(=O)Nc4ccccc43)cc2[N+](=O)[O-])c(C)c1 6195527 XOVADVAXGGIXIU-UHFFFAOYSA-N 461.434 4.462 5 40 JIBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)c(F)c1F 8894134 GRFONBJMJBXQAU-UHFFFAOYSA-N 486.428 4.410 5 40 JIBB CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1 10702727 JORIWNXCDCWSBP-UHFFFAOYSA-N 481.553 4.034 5 40 JIBB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 12604261 IBLBQEODJSRCFV-XMMPIXPASA-N 473.485 4.067 5 40 JIBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2OC)c1C 13401245 GSQHLQCICKPCNU-UHFFFAOYSA-N 469.475 4.265 5 40 JIBB CN(C)C(=O)c1cccc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 25326236 LBQZHLZKOOHPCC-UHFFFAOYSA-N 464.444 4.171 5 40 JIBB O=C(COc1cccc2ccccc12)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1 107943765 JTTDOBRFTUJWFH-UHFFFAOYSA-N 474.561 4.466 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 408576387 XTICWTRHYWCLOF-CQSZACIVSA-N 496.347 4.194 5 40 JIBB COc1ccc(C(=O)C[C@@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408687824 VEWSKTLNNCYWAV-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C)c([N+](=O)[O-])c1 409056330 CTLBRXYTQYUOOY-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB COc1ccc(O[C@H]2C(=O)N(c3cccc([N+](=O)[O-])c3)[C@@H]2c2ccc(OC)c(OC)c2)cc1 2740482 VNZOFMKJRVGSMJ-DHIUTWEWSA-N 450.447 4.156 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19818214 XFLNQVXXESXTEN-LEWJYISDSA-N 450.495 4.106 5 40 JIBB O=C(CCC(=O)c1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 39751101 ICOSYGOPUFVSGZ-UHFFFAOYSA-N 485.456 4.499 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(Sc3nnc4ccccn34)c([N+](=O)[O-])c2)c(C)c1 89614190 ZFWOCSNTZCVIHT-UHFFFAOYSA-N 455.521 4.206 5 40 JIBB CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C 2704400 YFZRICCBXJSYGR-SFHVURJKSA-N 491.481 4.393 5 40 JIBB CC(=O)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 8974855 WVFGNIMBQFZYTP-KALPRAJFSA-N 479.492 4.157 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@H](c2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)NC(=S)N1 11219805 CKBJEWUHVNPFSW-QFIPXVFZSA-N 477.546 4.192 5 40 JIBB CCOc1cc([N+](=O)[O-])c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)cc1OC 24495419 ISBOGXSDBWULGJ-UHFFFAOYSA-N 465.547 4.350 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccc(F)cc1 102921354 SPMAMVXVUAYINE-BGABXYSRSA-N 488.519 4.211 5 40 JIBB CC[C@H](NC(=O)[C@@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225530467 BHEFRWJMKFJUJJ-VQTJNVASSA-N 477.583 4.032 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 260932727 MLVCHUTZMURTKS-GOSISDBHSA-N 473.595 4.206 5 40 JIBB O=C(O)COc1c(Br)cc(Br)cc1CNc1ccc([N+](=O)[O-])cc1 408608042 MFDRFDRPBBWDNU-UHFFFAOYSA-N 460.078 4.195 5 40 JIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Oc1ccccc1/C=C1/N=C(c2ccc3c(c2)OCO3)OC1=O 409195167 RUBMYSAQPFPRFO-BDPZUMOYSA-N 484.420 4.287 5 40 JIBB COc1ccc(OCCSc2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])cc1 13140106 OXTDSRSQZAAMOG-UHFFFAOYSA-N 466.581 4.339 5 40 JIBB Cc1ccc(N2N=C([N+](=O)[O-])[C@@H](c3cccc([N+](=O)[O-])c3)N[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 33353874 IUMHCTKTFYOQKJ-RTWAWAEBSA-N 462.422 4.251 5 40 JIBB O=C1CC(=O)OC(c2ccc(Sc3nnc(-c4ccccc4)n3-c3ccccc3)c([N+](=O)[O-])c2)O1 59488746 JMSIUPSPWBRLFJ-UHFFFAOYSA-N 488.481 4.482 5 40 JIBB O=C(Nc1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccc(Cl)c([N+](=O)[O-])c1 89768288 XXAJHBIGNVINCZ-UHFFFAOYSA-N 458.323 4.329 5 40 JIBB O=C1S/C(=C\c2ccccc2I)C(=O)N1Cc1ccc([N+](=O)[O-])cc1 106743522 RLTDFQGSNWZOGP-DHDCSXOGSA-N 466.256 4.436 5 40 JIBB CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 229872540 HVBIPJRYXMKNMB-OSSDZZHWSA-N 493.519 4.465 5 40 JIBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408565366 JYUOUAHPCDGYBG-SQOVJYTMSA-N 493.947 4.450 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)Nc1ccc(F)cc1 409159590 RFQCJKNSDYTQMG-UNOMPAQXSA-N 466.450 4.200 5 40 JIBB O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 13598478 MSGHTQFMJZREGQ-JTDSTZFVSA-N 481.408 4.020 5 40 JIBB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12 20675592 PLMRMSSJVLRUEU-RTWAWAEBSA-N 450.495 4.250 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 35851844 NPZOYJXUMHPAFJ-LNEBKTTKSA-N 471.538 4.414 5 40 JIBB COc1cc(C(=O)Nc2ccc(Br)cc2Br)c([N+](=O)[O-])cc1OC 36739883 WOVUTAPPPAXWIC-UHFFFAOYSA-N 460.078 4.389 5 40 JIBB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225615168 YBJBVKJAWAYLOT-CQSZACIVSA-N 452.338 4.386 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408689860 ZGDBBSPXJTVLIO-VOBQZIQPSA-N 455.898 4.227 5 40 JIBB CC(C)(C)OC(=O)N(CCc1ccc([N+](=O)[O-])cc1)C(=O)NCCc1ccc([N+](=O)[O-])cc1 1857794247 KTEIPTZTFUIZQB-UHFFFAOYSA-N 458.471 4.235 5 40 JIBB O=C(CCCCCn1c(=O)c2sccc2n(Cc2cccc([N+](=O)[O-])c2)c1=O)Nc1ccccc1 2687314 JYEJSDXKZMPQJN-UHFFFAOYSA-N 492.557 4.380 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N1CCc2[nH]c3ccccc3c2C1 9900935 MBGMRBGMWCVWOK-HXUWFJFHSA-N 486.981 4.166 5 40 JIBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1Cl 19856233 AETOZOHPBOSLNF-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N[C@H](CO)Cc3ccccc3)c([N+](=O)[O-])c2)c(C)c1 78495460 XTGUWYDVABHDAX-IBGZPJMESA-N 455.536 4.028 5 40 JIBB COc1ccc(C)cc1S(=O)(=O)N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)c1ccc(C)cc1 409387755 FFZOOPBHGNTSOW-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB C[N+]1(Cc2ccc(C(N)=O)cc2)CCC(CCC2CC[N+](C)(Cc3ccc(C(N)=O)cc3)CC2)CC1 4683904 DYOHCPPIJQTQMX-UHFFFAOYSA-P 492.708 4.078 5 40 JIBB COc1cc([C@@H]2NC(=O)NC(c3ccc([N+](=O)[O-])cc3)=C2c2nc3ccccc3[nH]2)cc(OC)c1O 9402959 OUMQKRNQOIKQQE-QFIPXVFZSA-N 487.472 4.116 5 40 JIBB COc1ccc(Nc2nnc(SCC(=O)Nc3cc(OC)c([N+](=O)[O-])cc3C)s2)cc1 9512027 LGRCROOWECXFMG-UHFFFAOYSA-N 461.525 4.246 5 40 JIBB COc1cc(NC(=O)COC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)c(C)cc1[N+](=O)[O-] 9544961 PYXSMYYHUWIIFT-NSHDSACASA-N 457.266 4.168 5 40 JIBB O=C(C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)N1CCC[C@H]1c1nnc2ccccn12 31503757 ZWMABFAUWLEVIA-SFHVURJKSA-N 488.470 4.236 5 40 JIBB CCOC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2ccccc2[N+](=O)[O-])c1 57222985 PTRYKPMUBLOAJN-UHFFFAOYSA-N 488.544 4.346 5 40 JIBB Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])cc2[N+](=O)[O-])n1 8691229 FVADCTUUBNKMNL-UHFFFAOYSA-N 492.466 4.354 5 40 JIBB aggregator O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)Nc1ccc(CCO)cc1 8792221 HQQWPNSJPBLMAJ-UHFFFAOYSA-N 463.493 4.144 5 40 JIBB biogenic CC(=O)Nc1sc2c(c1C(=O)OCC(=O)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F)CCCC2 9630537 OFVZBVDZIBEEBX-UHFFFAOYSA-N 485.440 4.308 5 40 JIBB CCOC(=O)N1[C@H]2C(c3ccccc3)=NC(C)(C)N2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C(=O)OCC 31671594 UYISKVGFDIRBAZ-RTWAWAEBSA-N 481.509 4.306 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)NCCSc1ccccc1 32739523 UZGSXQJOIYUPKD-UHFFFAOYSA-N 492.582 4.295 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408567310 QWTLBNCNEJIUDV-QOAWAWRESA-N 491.519 4.325 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1cccs1 1892358 HVLCBQDVTRVCHD-XUZZJYLKSA-N 472.526 4.023 5 40 JIBB biogenic O=C(c1ccc(Cl)cc1[N+](=O)[O-])N(C(=O)c1ccc(Cl)cc1[N+](=O)[O-])C1=NCCS1 2728047 HZVCMEIQGPADFN-UHFFFAOYSA-N 469.262 4.195 5 40 JIBB COc1cc(NC(=O)COC(=O)CCc2nc3ccccc3n2-c2ccccc2)c(C)cc1[N+](=O)[O-] 9539560 YMBUSTYLUVTNIH-UHFFFAOYSA-N 488.500 4.365 5 40 JIBB CCN(CC)CCn1c(-c2ccc([N+](=O)[O-])cc2)nc2c(sc3nc(C)cc(COC)c32)c1=O 12411646 SVVRQEIKBTVUFC-UHFFFAOYSA-N 481.578 4.378 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](c2ccc(Cl)cc2)C2CC2)CC1 12881464 IEMIISOORVSKCS-QFIPXVFZSA-N 491.997 4.225 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 19820539 UTHDCKOEGKSBNQ-RPWUZVMVSA-N 484.512 4.303 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120338 WXILAKMAWZIDIF-UHFFFAOYSA-N 479.580 4.142 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O 138902330 DWMFHHMYWPFVIY-FEBSWUBLSA-N 488.327 4.490 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408689190 XTWCKIAWYYWWLF-IEBWSBKVSA-N 453.882 4.147 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 409056560 RXZVXBOOQDUCBW-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB CCCN1C(=O)S/C(=C\c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409359801 YFSWOXYVJWOUGT-ODLFYWEKSA-N 471.491 4.067 5 40 JIBB COc1ccc(OC)c(-n2c(-c3cc([N+](=O)[O-])cc([N+](=O)[O-])c3)nc3nc4ccccc4nc32)c1 1826166 HNADTYIZNSYKAP-UHFFFAOYSA-N 472.417 4.469 5 40 JIBB Cc1ccc([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c(C)c1 22314127 HWWRZNVACZLGJY-IBGZPJMESA-N 467.547 4.284 5 40 JIBB COC(=O)c1c(C(=O)OC)c(-c2ccc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])cc2)n2c1CCC2 32915587 ABPXEOQVFDGBDO-SDNWHVSQSA-N 489.484 4.235 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccccc1F)[C@H]1CCCN12 408567849 RYNXLMUJXSFBKE-YUHKXCSQSA-N 473.504 4.459 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1[N+](=O)[O-] 409358556 LVMDLWLRWLSWIE-UDWIEESQSA-N 463.471 4.432 5 40 JIBB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 409362622 SCJNODTVIHFHRO-UDWIEESQSA-N 456.476 4.311 5 40 JIBB COc1cc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccco2)c([N+](=O)[O-])cc1OC 9569229 PHIJUMXKYXOEGA-UHFFFAOYSA-N 451.435 4.050 5 40 JIBB C[C@@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)Nc3ccc(F)c(F)c3F)cc2[N+](=O)[O-])C1 12311705 PUOUVBWWNRZKPM-CHWSQXEVSA-N 465.428 4.290 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc2oc3ccccc3c2c1 25423603 AEQPMTIMUVBUAY-UHFFFAOYSA-N 454.460 4.307 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36315250 YEFGLTRQXFZXPC-ZGXDEKTJSA-N 486.553 4.117 5 40 JIBB COc1ccc(CN2CCC(CNC(=O)c3cc([N+](=O)[O-])ccc3N3CCC(C)CC3)CC2)cc1 60185839 RKORTVRQTIHZRZ-UHFFFAOYSA-N 480.609 4.482 5 40 JIBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])Nc1cccc(C(=O)N2CCC(CO)CC2)c1 62606586 DGGGYXVFSBKVQS-UHFFFAOYSA-N 497.495 4.189 5 40 JIBB Cc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222714759 VPUQPCUUXAHPRH-SFHVURJKSA-N 457.596 4.468 5 40 JIBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223322763 GVVBNLUMRDLSCX-UZQPLGKSSA-N 450.520 4.401 5 40 JIBB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc1 409182589 NBHKETVFIIPXDE-RUZDIDTESA-N 462.458 4.490 5 40 JIBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1nc(-c2ccccc2)n(-c2ccccc2)n1 3534922 SUSYGSACHHXXRM-UHFFFAOYSA-N 458.430 4.066 5 40 JIBB O=[N+]([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)c1 9714643 BZKRTHSHHUBVMS-UHFFFAOYSA-N 459.915 4.106 5 40 JIBB Cc1cc(-n2c(C)cc(C(=O)COC(=O)Cn3c4ccccc4c(=O)c4ccccc43)c2C)no1 11277958 PTWLDYZCCUPKGI-UHFFFAOYSA-N 469.497 4.285 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 13714147 FUSSFLYMQUTXSK-QHAWAJNXSA-N 494.301 4.408 5 40 JIBB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1[N+](=O)[O-] 13856315 YPYFLQSJNYWKBU-UHFFFAOYSA-N 451.504 4.297 5 40 JIBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 22854835 JJSJFBDXCFGGLQ-FQEVSTJZSA-N 482.541 4.018 5 40 JIBB O=C(NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)c1ccc(Cl)c(Cl)c1 33715800 SWMWJKIDXMHJMY-CXUHLZMHSA-N 466.302 4.368 5 40 JIBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1[N+](=O)[O-] 408640895 KEKYCAZFRKHXQL-NSHDSACASA-N 452.692 4.311 5 40 JIBB Cc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c(C)c1 409154404 AFUFLRKPNZYWJB-HXUWFJFHSA-N 482.566 4.188 5 40 JIBB Cc1ncc([N+](=O)[O-])n1CCOC(=O)N[C@H](OCc1ccccc1Cl)C(Cl)(Cl)Cl 6444644 HALCYTNCMFUQOU-CQSZACIVSA-N 486.139 4.392 5 40 JIBB Cc1ccc2cc(COc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])c(Cl)nc2c1 8942779 LJHCQIDCDRVPAC-UHFFFAOYSA-N 461.927 4.468 5 40 JIBB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)Nc3ccc([N+](=O)[O-])cc3C)cc2)cc1C 9662236 URTDMUHAOIHKCB-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB O=C(NCCSCc1cccs1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 32802079 XGHWURWTXBLCNW-UHFFFAOYSA-N 474.530 4.440 5 40 JIBB CN1C[C@H](c2ccc(Cl)c([N+](=O)[O-])c2)[C@]2(COc3ccccc3C2=O)[C@]12C(=O)Nc1ccccc12 36382170 RROBHOHCAMWQME-LROUJFHJSA-N 489.915 4.387 5 40 JIBB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1[N+](=O)[O-] 57316404 QYWKFUIRUVSUMB-UHFFFAOYSA-N 460.309 4.422 5 40 JIBB Cc1ccc(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)c(C)c1 96600726 YHVAFLGMBYTCHT-WOJGMQOQSA-N 459.911 4.331 5 40 JIBB Cc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1C 408650663 MPJXSPMBDYCJNG-UHFFFAOYSA-N 491.887 4.401 5 40 JIBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)cc2)cc1 408660200 WKVDPPCPNQXUGS-LJQANCHMSA-N 474.469 4.475 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408686617 SEZDJTVZUTUROZ-HZVDNRATSA-N 486.311 4.266 5 40 JIBB C[C@@H](OC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3304827 XEZODZKCAUCJQC-MRXNPFEDSA-N 457.446 4.027 5 40 JIBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@H](O)c1ccccc1 8792126 GDRABFAOTRAMGK-NSYGIPOTSA-N 477.520 4.209 5 40 JIBB biogenic Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13817132 YEFGLTRQXFZXPC-DUOVIKOCSA-N 486.553 4.117 5 40 JIBB O=C(NC(=S)Nc1ccccc1OC(F)F)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14271097 ZPDLVRSEWSQXQZ-UHFFFAOYSA-N 450.467 4.313 5 40 JIBB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 96594241 WTHGTIMHXGQEPR-QGOAFFKASA-N 489.937 4.258 5 40 JIBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)c([N+](=O)[O-])c1 205805177 GQIWDBTVLDQKFP-XDHOZWIPSA-N 455.492 4.212 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1Cl 408705386 DODHCXQZURCIFH-UHFFFAOYSA-N 495.966 4.467 5 40 JIBB CCn1c(CNC(=O)c2cccc([N+](=O)[O-])c2)nnc1SCC(=O)Nc1cccc2ccccc12 409137964 XKXYIPVECUOJFU-UHFFFAOYSA-N 490.545 4.020 5 40 JIBB COc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccc3cccc4c3c2CC4)cc1[N+](=O)[O-] 855121 YEXRFKGHHZVRQH-QFIPXVFZSA-N 456.545 4.292 5 40 JIBB Cc1[nH]c2ccc(OC(F)(F)Cl)cc2c1CCNS(=O)(=O)c1ccc([N+](=O)[O-])cc1 1074487 SNQAEQKKJQZMCZ-UHFFFAOYSA-N 459.858 4.073 5 40 JIBB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C 12546938 VBLLNHYTKDSNHN-QWHCGFSZSA-N 499.442 4.350 5 40 JIBB O=C(Cc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3)c1ccc([N+](=O)[O-])cc1 20392785 WIMGGGYTWBNKEN-UHFFFAOYSA-N 489.557 4.289 5 40 JIBB O=[N+]([O-])c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCc4ccccc43)cc2)c1 20533719 XLDNJBHEXOXHMH-UHFFFAOYSA-N 454.533 4.155 5 40 JIBB Cc1ccc(Cn2c(=N)c(C(=O)NCc3ccccc3Cl)cc3c(=O)n4ccccc4nc32)cc1 101112957 IPBCMRJQBVEVOW-UHFFFAOYSA-N 483.959 4.069 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225383095 ANAYSOSHOUDUNL-QZTJIDSGSA-N 473.595 4.169 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]12 408683516 LMXKMNQTTQUTOG-XMCHAPAWSA-N 453.882 4.003 5 40 JIBB COc1c(I)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1[N+](=O)[O-] 408818823 YKZCXMCYOCGAHP-ZROIWOOFSA-N 482.255 4.449 5 40 JIBB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3[N+](=O)[O-])n2C)c1 409155189 PVSNVJLHIZGLLD-UHFFFAOYSA-N 455.540 4.465 5 40 JIBB Cc1c(OCC(=O)N[C@@H](CSCc2ccccc2)C(=O)O)ccc2c1oc(=O)c1ccccc12 2117965 QJWTXPLUAJQBOU-NRFANRHFSA-N 477.538 4.136 5 40 JIBB biogenic O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(Cl)cn1 9466716 GZSNMZNPEYPSCZ-UHFFFAOYSA-N 489.271 4.344 5 40 JIBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 16384030 TVECBBNAAIHFHR-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 16384448 BOTCBHKFDYRORM-UHFFFAOYSA-N 458.780 4.138 5 40 JIBB COCc1cc(NC(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc2c1OCOC2 40150680 UXOFYLHDCJJDSV-UHFFFAOYSA-N 495.454 4.482 5 40 JIBB CCCCCn1/c(=N\C(=O)c2cc(C)cc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101118398 FYLSPBYRUDTHBI-JVCXMKTPSA-N 486.572 4.374 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)C2CCCCC2)cc1 408617236 ABMJQNPXIZONAB-UHFFFAOYSA-N 475.567 4.264 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 408677533 CBVXXOSOZXBTJP-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408686316 RMZXFQREOYYVDB-FUHWJXTLSA-N 453.882 4.147 5 40 JIBB COc1ccc(C(=O)[C@H](CC(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408688697 WVWWSVVXTVWQRN-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)[C@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 8971436 FHSJOLPRYSEWQK-ROHNOIKCSA-N 457.486 4.089 5 40 JIBB COc1cc([C@H](C)OC(=O)[C@@H]2CSC(c3nc4ccc(O)cc4s3)=N2)c([N+](=O)[O-])cc1OC 9915661 VGEMOUFKGRGCNZ-HZMBPMFUSA-N 489.531 4.094 5 40 JIBB in-vitro C[C@@H](C(=O)Nc1cccc(Br)c1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62398111 YEUWADZQFMDDCW-HNNXBMFYSA-N 484.354 4.055 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 108914159 BANHIHOHNZMWBH-ROWPZFDLSA-N 458.536 4.225 5 40 JIBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223263456 RVMOWYJAAQPVFA-HXUWFJFHSA-N 471.554 4.013 5 40 JIBB CCOc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])cc1Cl 408568245 SQCUYMHTAHCKQB-IKLNAOFOSA-N 462.333 4.447 5 40 JIBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3-c3ccc([N+](=O)[O-])cc3)C2=O)cc1 409234336 VQLMQCZFRDBCEZ-DEDYPNTBSA-N 478.486 4.069 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2C)cc1[N+](=O)[O-] 676596 FWOSLVARYDYKSR-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc(C)c([N+](=O)[O-])c3)scc12 9381336 KHIGVUGSIFCLMF-UHFFFAOYSA-N 478.486 4.093 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(O)cc2)ccc1Cl 12659864 YSFQLLMHPQKKQJ-UHFFFAOYSA-N 471.882 4.441 5 40 JIBB CCCCc1nc2cc(NC(=O)CCC(=O)OCC)c(C)nc2n1Cc1ccc([N+](=O)[O-])cc1 13509769 FDPOQNKYKGEVDF-UHFFFAOYSA-N 467.526 4.321 5 40 JIBB O=[N+]([O-])c1cccc(CS(=O)(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1 20452356 UDVATGOMQVZXLV-UHFFFAOYSA-N 497.554 4.491 5 40 JIBB COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)cc1 20671574 FBZNXZFWALOZKD-MRXNPFEDSA-N 461.503 4.246 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408689201 XVCJYJPIFMRGPH-JSNMRZPZSA-N 453.882 4.003 5 40 JIBB O=C(O)CN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409137404 WGIYLPWGNQVXIT-LZYBPNLTSA-N 493.291 4.057 5 40 JIBB COc1ccccc1NC(=O)CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 409251832 QJYUMGFLYSEYRS-BOPFTXTBSA-N 496.863 4.048 5 40 JIBB COc1ccc(CCn2c(-c3ccccc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1OC 2210850 YLMXKWCONKWMHJ-UHFFFAOYSA-N 467.525 4.175 5 40 JIBB C[C@@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)Nc1cccc([N+](=O)[O-])c1 3294169 BDTLSOVQIQIJLS-CYBMUJFWSA-N 493.859 4.233 5 40 JIBB C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Br)csc2C1 9612799 LPYFYZZUGSRMOV-SNVBAGLBSA-N 453.314 4.339 5 40 JIBB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 9829767 HCHAXBOGCGFOMV-UHFFFAOYSA-N 450.476 4.464 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 16038356 YKPVISPEXRXLGY-POTDNYQPSA-N 470.529 4.146 5 40 JIBB CCOc1ccc([C@H](C)NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)cc1 19933808 SWUQLPOVCAKVCC-SFHVURJKSA-N 483.546 4.066 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O 205784351 OVEDMDUKCMEPMU-YBFXNURJSA-N 456.476 4.162 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223736756 ZTBWACHKXKWOCZ-FGZHOGPDSA-N 466.519 4.176 5 40 JIBB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408663989 YMOLBGRQFQITRT-IBGZPJMESA-N 474.469 4.475 5 40 JIBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O 409170369 VOFHMTSSULMAHO-MOSHPQCFSA-N 462.487 4.369 5 40 JIBB O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1cccc([N+](=O)[O-])c1 1304083 WOIWWAABWKWSQO-GOSISDBHSA-N 460.284 4.290 5 40 JIBB Cc1nnc(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)n1Cc1ccccc1 2648090 NRRYFQIJXKFGIK-UHFFFAOYSA-N 466.548 4.397 5 40 JIBB COc1ccc([C@@H]2N(c3ccccc3)O[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@]32C)cc1 9334837 IFZCGEDPQUXAFJ-SGIRGMQISA-N 459.458 4.045 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)CC1 10692733 UIIIZCMYBYLPIN-UHFFFAOYSA-N 486.377 4.391 5 40 JIBB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl 12914237 NRCNDPQXGZLCST-CQSZACIVSA-N 459.886 4.058 5 40 JIBB O=C(NCc1ccccc1)c1cccc(Oc2ccc(S(=O)(=O)N3CCCCC3)cc2[N+](=O)[O-])c1 14359167 KUOQIZUCLFIBTA-UHFFFAOYSA-N 495.557 4.492 5 40 JIBB C[C@H]1CN(C(=O)c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](C)O1 26549418 TZMPAABYEPLJBL-KDURUIRLSA-N 469.541 4.043 5 40 JIBB O=C1[C@@H]2[C@@H](ON(c3cccc([N+](=O)[O-])c3)[C@H]2c2ccccc2)C(=O)N1c1ccc(Br)cc1 102757992 WBNRSNDIXOEGFN-PCCBWWKXSA-N 494.301 4.408 5 40 JIBB Cn1c(SCC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O 408541785 FUYNGAJUMMLDJM-UHFFFAOYSA-N 498.746 4.243 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408684445 NIEAFZANFAQLFT-RTBURBONSA-N 498.879 4.055 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408689194 XTWCKIAWYYWWLF-PKOBYXMFSA-N 453.882 4.147 5 40 JIBB COc1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc([N+](=O)[O-])c1O 409156353 SAVMMYGDYISFRF-OVCLIPMQSA-N 465.281 4.308 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3cc(=O)c4ccccc4o3)cc2)cc1[N+](=O)[O-] 9376403 OZCJNCWCTTVVGL-UHFFFAOYSA-N 479.470 4.063 5 40 JIBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCO1 13129880 UFEQBEYRKAIOQE-UWJYYQICSA-N 483.565 4.468 5 40 JIBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2 19957239 YAACJLVSJXURIL-UHFFFAOYSA-N 452.850 4.432 5 40 JIBB CC(=O)c1ccc(N2CCN(C(=O)/C(=C/c3ccccc3[N+](=O)[O-])C(=O)Nc3ccccc3)CC2)cc1 215733144 VCGFHCUCIGXORZ-NCELDCMTSA-N 498.539 4.168 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565614 LNKQUYKVXIIMHU-DVKBMCPXSA-N 463.921 4.441 5 40 JIBB Cc1ccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC(=O)N(c4ccc([N+](=O)[O-])cc4)C3)c2)c(C)c1 408638650 CXAVFJJZZJOSQH-LJQANCHMSA-N 472.501 4.456 5 40 JIBB Cc1cc(C)cc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409135082 QYDYXUCUGZEGCM-NRFANRHFSA-N 496.593 4.198 5 40 JIBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccco4)c(C)nc32)cc1 2348640 IHQHELNRDABFLX-UHFFFAOYSA-N 451.486 4.301 5 40 JIBB COc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1F 9116141 NAQRYKMGQRPXFT-OAHLLOKOSA-N 487.509 4.343 5 40 JIBB CCn1c(SCC(=O)c2cccc([N+](=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 15019510 OQLMHZLPROUSKD-CYBMUJFWSA-N 473.942 4.326 5 40 JIBB O=C(/C=C/c1cccc([N+](=O)[O-])c1)N1CCN(c2nc3ccc(Br)cc3s2)CC1 15391676 IMTBVYPNNHFTKV-QPJJXVBHSA-N 473.352 4.329 5 40 JIBB Cc1c(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cccc1[N+](=O)[O-] 19164863 XGIDAUWTCGBTFV-UHFFFAOYSA-N 453.520 4.096 5 40 JIBB CCCCCC(=O)N[C@H](NC(=S)Nc1ccc(OC)c([N+](=O)[O-])c1)C(Cl)(Cl)Cl 19912707 KVNDFJZAXJAFBD-CQSZACIVSA-N 471.794 4.283 5 40 JIBB COc1ccc(N(CC(=O)N(C)Cc2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 20038147 WJQMNIUJMPYHOM-UHFFFAOYSA-N 497.573 4.074 5 40 JIBB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 24753216 MAKKRIVTEXKNHY-NRFANRHFSA-N 478.542 4.180 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225015418 VEUPEXMJPIEAQF-RBUKOAKNSA-N 457.596 4.468 5 40 JIBB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2ccc(C(=O)OCC(C)C)cc2)cc1[N+](=O)[O-] 408666732 PBSXTEAIPITFPL-UHFFFAOYSA-N 499.520 4.007 5 40 JIBB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 3596387 SDLIQUYUQSAJRX-UHFFFAOYSA-N 453.455 4.365 5 40 JIBB Cc1ccc(C(=O)Nc2nnc(CCS(=O)(=O)c3ccc4ccccc4c3)s2)cc1[N+](=O)[O-] 8892292 RLBYMUQKIPFYOY-UHFFFAOYSA-N 482.543 4.177 5 40 JIBB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2)cc1 8900439 BXAOKWFHVKCVAE-UHFFFAOYSA-N 459.455 4.186 5 40 JIBB O=C(COc1ccc(Cl)cc1Cl)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 9507689 RSOVNJGIEMXXEW-UHFFFAOYSA-N 488.330 4.208 5 40 JIBB Cc1ccc2nc(COC(=O)c3ccccc3NC(=O)c3ccc([N+](=O)[O-])cc3Cl)cc(=O)n2c1 9633425 SSJIPHFDPSNLRL-UHFFFAOYSA-N 492.875 4.174 5 40 JIBB O=C(COc1ccccc1[N+](=O)[O-])NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35271962 XRXPKOIOMGATSY-UHFFFAOYSA-N 484.921 4.393 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223207236 AFDAYVFVKDNXSN-HZPDHXFCSA-N 476.371 4.232 5 40 JIBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1[N+](=O)[O-] 408668551 VBJRANPEMSVPLF-UHFFFAOYSA-N 454.266 4.111 5 40 JIBB CCCCCCN1CC(=O)N2[C@@H](c3ccc([N+](=O)[O-])cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 9359496 KRBAVGGTTWGTMO-RDGATRHJSA-N 460.534 4.341 5 40 JIBB biogenic O=[N+]([O-])c1ccccc1S(=O)(=O)Oc1c(Br)cc(Br)c2cccnc12 11847280 ODEKQFDADHSFGA-UHFFFAOYSA-N 488.113 4.436 5 40 JIBB O=[N+]([O-])c1ccc(CSC2=N[C@H]3CS(=O)(=O)C[C@@H]3N2c2cc(Cl)cc(Cl)c2)cc1 32640718 JDVQDGFBIYJXBI-IRXDYDNUSA-N 472.375 4.177 5 40 JIBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223062235 LBZFLDWNKQPAGP-KRWDZBQOSA-N 473.595 4.169 5 40 JIBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc(I)c2O)C(=O)N1c1ccccc1 408902947 SOBBTTURONQRNZ-NTUHNPAUSA-N 468.228 4.146 5 40 JIBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 409057301 VPPZWWQQEOJOCV-UHFFFAOYSA-N 465.531 4.483 5 40 JIBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O 409213714 SRPQGBJWAKLEAY-OMJMQIJPSA-N 457.464 4.160 5 40 JIBB O=[N+]([O-])c1cccc(S(=O)(=O)Oc2c(Br)cc(Br)c3cccnc23)c1 916100088 DKKFPYAYBNZGAS-UHFFFAOYSA-N 488.113 4.436 5 40 JIBB CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SC(F)F)n2-c2ccc([N+](=O)[O-])cc2)c1 2637175 PMDASUJLLBBROQ-UHFFFAOYSA-N 483.522 4.188 5 40 JIBB COc1cc(NC(=O)c2nc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)cc([N+](=O)[O-])c1 3139478 RCZKQEFFOWCVDX-UHFFFAOYSA-N 464.385 4.041 5 40 JIBB COCCCN(C(=O)COc1ccccc1[N+](=O)[O-])c1nc(-c2cc(OC)ccc2OC)cs1 6904354 JTTOZNCXKDPCHM-UHFFFAOYSA-N 487.534 4.184 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 13607860 DNHIPCVCHGGQRF-SRDXBBKJSA-N 497.507 4.232 5 40 JIBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] 13679991 VNMOYCJJUARBNK-OAHLLOKOSA-N 486.377 4.391 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1 96400881 QHJGUECEBZVYJY-JZGIEPQVSA-N 478.461 4.491 5 40 JIBB CC[C@@H](Sc1nnc([C@@H](NC(=O)c2ccccc2)C(C)C)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095879 DMRKLKYSFKJULR-UXHICEINSA-N 496.593 4.360 5 40 JIBB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)n2C)cc1 13842146 XTGLNTIGUMGWKE-UHFFFAOYSA-N 461.931 4.249 5 40 JIBB CCOc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccccc1F 408560046 ZSLLFZAEGUIBJQ-UHFFFAOYSA-N 473.482 4.494 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C1=O)Nc1cccc2ccccc12 409353295 IQZCFWUFHKYQTR-UKWGHVSLSA-N 477.454 4.152 5 40 JIBB Cc1c(Cl)cccc1NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 854559 ABACDVDNYRPYHN-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3ccc([N+](=O)[O-])cc3)C2=O)cc1 2117132 WSUBWCVVSUMUMN-RPLLCQBOSA-N 480.524 4.270 5 40 JIBB biogenic Cc1cc(C)n(-c2cc(N3CCN(C(=O)/C=C/c4ccc(Cl)cc4)CC3)ccc2[N+](=O)[O-])n1 9046871 USNGDMZUKBOKKE-BJMVGYQFSA-N 465.941 4.413 5 40 JIBB COc1ccc([C@H](c2nnnn2C2CCCCC2)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)cc1 13503764 YHDQPPJAJPBLNM-XMMPIXPASA-N 477.569 4.007 5 40 JIBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 13925827 GSKBZHUWIGXMIU-MOSHPQCFSA-N 458.426 4.476 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 18102155 ZNSABAHOLSKQRR-VJBWXMMDSA-N 459.458 4.045 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 19820487 UVAXZSREBREIAA-DNQXCXABSA-N 484.512 4.303 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1ccc(Br)cc1 19927688 QMUHXRIZMKCXMI-UHFFFAOYSA-N 492.355 4.375 5 40 JIBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12 35808603 LHWAUNQNILQLOD-LERMDLETSA-N 451.866 4.217 5 40 JIBB Cc1nn(Cc2ccc(Br)cc2)c(C)c1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 36612228 AEQZOHFQUQDAFK-UHFFFAOYSA-N 455.268 4.020 5 40 JIBB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225563570 LRPYYADXRHVRNA-UHFFFAOYSA-N 453.539 4.146 5 40 JIBB O=C(CCC(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1)Nc1ccc(Oc2ccccc2)cc1 408660510 LVNKEVYNGYJJCM-UHFFFAOYSA-N 463.446 4.288 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C2=O)cc1 409023876 LUEWTGKDVIBQTR-YBFXNURJSA-N 480.864 4.348 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21 3298635 ZZYUUEDJZKPMPS-UHFFFAOYSA-N 472.526 4.365 5 40 JIBB Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2nc(-c3cccc([N+](=O)[O-])c3)cn12 16992535 LBHNRWUQSSPYRM-UHFFFAOYSA-N 465.510 4.381 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccccc1[N+](=O)[O-] 19820706 LAGCNVVLOOVMAM-BJKOFHAPSA-N 484.512 4.303 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224312713 LGNIVZRMAMKEQJ-FQEVSTJZSA-N 463.987 4.425 5 40 JIBB CCOc1ccc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(OC)cc2)cc1OCC 408566050 DQBZFRMHTIPXLA-OAQYLSRUSA-N 458.540 4.492 5 40 JIBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 408666758 RQRNFNXYESTNSX-UHFFFAOYSA-N 454.266 4.111 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1C 409147938 WXKMHBREVMWVIN-NRFANRHFSA-N 496.593 4.198 5 40 JIBB Cc1ccc([C@]2(O)NC(=O)N[C@@H](c3ccc(-c4cccc([N+](=O)[O-])c4)o3)[C@H]2C(=O)C(F)(F)F)cc1 8767668 ISIIONQKHDSMJK-CNNODRBYSA-N 489.406 4.110 5 40 JIBB CCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1ccc([N+](=O)[O-])cc1 9390929 QCJCUPUWTVHJRD-UHFFFAOYSA-N 455.584 4.331 5 40 JIBB CN1C[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(Cl)cc12 36550252 DMTRXRCFCHCDJJ-XVWGUNQUSA-N 462.893 4.019 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223240486 HMWRLMLCGYQIJZ-QGZVFWFLSA-N 461.559 4.301 5 40 JIBB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223242487 ONLFADGGYVPVNG-FCHUYYIVSA-N 451.552 4.174 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)C2=O)cc1 409022527 RIPAMQJQHFUWBB-YBFXNURJSA-N 480.864 4.348 5 40 JIBB Cc1c([N+](=O)[O-])cnn1CCc1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 2730800 HLXDEHFOUSJJSB-UHFFFAOYSA-N 479.353 4.489 5 40 JIBB O=C(Cc1ccc(Cl)cc1Cl)NCCN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O 3425731 YXCKIRMDWOISQX-RQZCQDPDSA-N 480.329 4.297 5 40 JIBB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 4190630 SJBZRQBFKADEJF-UHFFFAOYSA-N 453.502 4.410 5 40 JIBB O=C1OC(c2cccc(I)c2)=N/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 9332596 HBKYFVFNOAOFSM-QPEQYQDCSA-N 454.607 4.197 5 40 JIBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)n1C[C@@H]1CCCO1 13129879 UFEQBEYRKAIOQE-UTKZUKDTSA-N 483.565 4.468 5 40 JIBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20142701 FFVDLONBLBVEAZ-UHFFFAOYSA-N 457.870 4.089 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1C(F)(F)F 102920972 PLECXHLBYAJFMJ-MWAVMZGNSA-N 498.461 4.167 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223509832 OWMPACNTUSTVEC-XZOQPEGZSA-N 456.531 4.348 5 40 JIBB CCn1c(=O)n(CC)c2cc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)c(Br)cc21 408537276 ZTYGWVKIQQEQDR-UHFFFAOYSA-N 467.707 4.419 5 40 JIBB Cc1c(OCC(=O)N[C@H](Cc2ccc(Cl)cc2)C(=O)O)ccc2c1oc(=O)c1ccccc12 2121138 CSYGMMBAZUTWOT-HXUWFJFHSA-N 465.889 4.099 5 40 JIBB biogenic CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 138788592 BEHYGHQLYWVBFM-MJGOQNOKSA-N 498.333 4.256 5 40 JIBB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222685992 QFDQLRVSFUQOHJ-CYBMUJFWSA-N 470.378 4.298 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@H]1CCCN12 408567168 QDWGKLPMJDBUIZ-BGBNXGLDSA-N 473.504 4.459 5 40 JIBB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)C(C)C)c1 409059000 NXVRFWZDYHQQGN-NRFANRHFSA-N 496.593 4.198 5 40 JIBB Cc1ccc(N2C(=O)NC(=O)[C@@]3(Cc4cc([N+](=O)[O-])ccc4N(C)[C@@H]3c3ccccc3)C2=O)c(C)c1 9446565 OMTYQVAQPCYTCY-KCWPFWIISA-N 484.512 4.215 5 40 JIBB C[C@@H](C(=O)Nc1cc([N+](=O)[O-])ccc1Cl)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 9493293 GXKNXQJNHQIFBT-JTQLQIEISA-N 459.717 4.453 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N2CCC(CCc3ccccc3)CC2)CC1 11452229 ACXWWCWFVRXBTG-UHFFFAOYSA-N 499.633 4.175 5 40 JIBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13811705 WIYGUJNNCFACAI-KKMBPYAXSA-N 477.567 4.475 5 40 JIBB Cc1cccc(CSCCNC(=O)CN(c2ccccc2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c1 16349375 AVPROBRFJHSQEM-UHFFFAOYSA-N 499.614 4.148 5 40 JIBB Cc1cccc(CC(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)c1 17122923 PDJCWDZTJDXCSZ-UHFFFAOYSA-N 491.525 4.378 5 40 JIBB O=C(/C=C/c1ccc([N+](=O)[O-])cc1)Nc1cccc(NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)n1 2086260 WDDIUWWZGYJWDF-VOMDNODZSA-N 459.418 4.202 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1cc([N+](=O)[O-])ccc1Cl 12517526 PZGXMPYEKSNOHB-FQEVSTJZSA-N 489.937 4.292 5 40 JIBB O=C(c1cccs1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 13811703 WIYGUJNNCFACAI-SODVOOIJSA-N 477.567 4.475 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 15970704 ATVUZALRHOXQDW-YQOVMPOYSA-N 496.445 4.384 5 40 JIBB COc1ccc([C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 19936234 LVAKHPKCSRXNQZ-QHCPKHFHSA-N 483.546 4.302 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 20802636 DUDJDQYNGYYXQC-RTWAWAEBSA-N 450.495 4.106 5 40 JIBB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1 27017056 HIYOKYWZMJJLDY-FQEVSTJZSA-N 464.865 4.245 5 40 JIBB CS(=O)(=O)c1ccc(NCCNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c([N+](=O)[O-])c1 62613763 DRHMKEVFBQDDJD-GBXBDOIYSA-N 497.617 4.065 5 40 JIBB CSc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102761746 LJXSTPREHRDJNC-BHDDXSALSA-N 461.499 4.368 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 139031264 NEUYRGUWXYPJLC-HKUYNNGSSA-N 453.882 4.147 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3Cl)o2)C1=O)N1CCCC1 205912440 XPDJKZVLIWHSTJ-LICLKQGHSA-N 461.883 4.167 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408682221 JFXKWNJVCURKDN-QCQDVHPSSA-N 486.311 4.266 5 40 JIBB Nc1scc2c(-c3nnc(Nc4ccccc4)s3)nn(-c3ccc([N+](=O)[O-])cc3)c(=O)c12 16490600 QFVGXOHTBIYSKD-UHFFFAOYSA-N 463.504 4.200 5 40 JIBB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 27515717 LCTNKAUKQKEWAO-XMMPIXPASA-N 488.500 4.449 5 40 JIBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223353662 GBTURRISSDNOQQ-IBGZPJMESA-N 491.972 4.358 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccccc3)[C@@H]2C1=O 248074410 AQFFXOYAXIQCIY-ZYQDXHPFSA-N 479.492 4.302 5 40 JIBB COc1cc(OC)cc(-c2nc(S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C(=O)O)n[nH]2)c1 408630808 BFUPJRHDGWROGL-NDENLUEZSA-N 493.501 4.406 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)o1 408674612 CLJQRLMRIDOQFT-UHFFFAOYSA-N 450.860 4.046 5 40 JIBB COc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2[C@H](C)N2CCCCC2)cc1 9671061 SWWGOTBSQFTBQT-KRWDZBQOSA-N 496.593 4.462 5 40 JIBB CC(=O)Nc1ccc(Oc2cc(NC(=O)CCCn3nc(C)c([N+](=O)[O-])c3C)cc([N+](=O)[O-])c2)cc1 12845961 PQQSEJWLWLLFJB-UHFFFAOYSA-N 496.480 4.486 5 40 JIBB CNC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1ccc(OC(F)(F)F)cc1 44088047 PLRXVLIQDYCCQR-UHFFFAOYSA-N 452.414 4.184 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408677983 CKVDSPFUSQUQMX-MOPGFXCFSA-N 453.882 4.147 5 40 JIBB Cc1[nH]c2ccc(Br)cc2c1CCNC(=O)c1cc2cc([N+](=O)[O-])ccc2oc1=O 1073243 NQJDUAYMQAKIHN-UHFFFAOYSA-N 470.279 4.226 5 40 JIBB O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@H](C(=O)c2cccs2)[C@](O)(C(F)(F)F)N1 8915563 MSGHTQFMJZREGQ-GJYPPUQNSA-N 481.408 4.020 5 40 JIBB CCOC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 13880776 ZPFVBAXBVXZCTB-JAIQZWGSSA-N 465.487 4.197 5 40 JIBB COc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1OC 14668213 SMXKFGDMHCOILJ-UHFFFAOYSA-N 470.503 4.016 5 40 JIBB CN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(CCC3=CCCCC3)C2=O)[C@H]1c1ccccc1 16995768 MCKVAJLAXMBZIS-KCWPFWIISA-N 488.544 4.284 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1 223509723 OWMPACNTUSTVEC-DHIUTWEWSA-N 456.531 4.348 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3cccc(F)c3)cc1)[C@@H]1CCCN12 408567171 QDWGKLPMJDBUIZ-FCRYVSRXSA-N 473.504 4.459 5 40 JIBB CC(=O)N1CCN(c2ccc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])CC1 12545389 KVEMCGXTBPMUMY-CYBMUJFWSA-N 465.337 4.061 5 40 JIBB CN(C)S(=O)(=O)c1cccc(NC(=O)COC(=O)c2c3ccccc3cc3ccccc23)c1 12563708 MFEAZCOVDCBAHQ-UHFFFAOYSA-N 462.527 4.039 5 40 JIBB O=C(c1ccccn1)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 15413870 GCLPWRIKMNFDHZ-TUGCOKMYSA-N 472.476 4.037 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224700017 KVKFNHPYQXLYOK-LJQANCHMSA-N 483.565 4.157 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 224943298 PDVXFJNAHZBKQC-UHFFFAOYSA-N 494.573 4.419 5 40 JIBB Cc1nc2c(c(=O)n1CCC(C)C)c1nc3ccccc3nc1n2-c1ccc2c(c1)OCCO2 2421542 YLXGFHKEMCMCEZ-UHFFFAOYSA-N 455.518 4.409 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)OCC(=O)c3ccc([N+](=O)[O-])cc3)c2)cc1 3262263 QZBNRUQRQRTSQN-UHFFFAOYSA-N 498.513 4.142 5 40 JIBB COc1ccc(CC(=O)n2nc(-c3cccs3)nc2NCc2cccc([N+](=O)[O-])c2)cc1OC 9667658 ADUNWWKMAYQJCN-UHFFFAOYSA-N 479.518 4.427 5 40 JIBB Cc1c(NS(=O)(=O)c2ccc(Sc3ccccc3)c([N+](=O)[O-])c2)c(=O)n(-c2ccccc2)n1C 9704261 GGYYJMDFVBAWED-UHFFFAOYSA-N 496.570 4.345 5 40 JIBB COc1ccc(CNc2nc(NCc3ccc(OC)cc3)n(C(=O)c3ccc([N+](=O)[O-])cc3)n2)cc1 9948482 RSUFCFGBMTWJRX-UHFFFAOYSA-N 488.504 4.116 5 40 JIBB CCCN1C(=O)c2ccccc2[C@H]1N(Cc1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13941959 GJMPTYQTKUJJHL-HSZRJFAPSA-N 465.531 4.350 5 40 JIBB COC(=O)c1cc(-c2csc(NC(=O)c3ccc(N4CCC[C@@H](C)C4)c([N+](=O)[O-])c3)n2)c[nH]1 29872726 FVHQFXZGCYJCCM-CYBMUJFWSA-N 469.523 4.322 5 40 JIBB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1 39755855 KDLKMUSBPVLCFS-UHFFFAOYSA-N 459.418 4.158 5 40 JIBB CC(=O)N1CCN(c2ccc(C(=O)Nc3ccccc3N3CCc4ccccc43)cc2[N+](=O)[O-])CC1 70019446 AXAVHRWDQIVKTN-UHFFFAOYSA-N 485.544 4.210 5 40 JIBB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)[C@H]2C(C)=O 100539704 NSPDSWZRWYILBS-UDVXPWBQSA-N 498.146 4.015 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 100615809 PXQIWNKHRHOWMU-VJBWXMMDSA-N 459.458 4.045 5 40 JIBB O=C(CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1 224901175 IKRSCTIGYFBFTF-UHFFFAOYSA-N 480.546 4.029 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(C(C)C)cc3)CC2)c([N+](=O)[O-])c1 408573891 PZFDQBVZEMPDQH-KPKJPENVSA-N 451.523 4.257 5 40 JIBB O=C(CSc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1[N+](=O)[O-])Nc1ccc2ccccc2c1 408989165 HDJSEBYMMKBEIJ-UWJYYQICSA-N 469.544 4.267 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccco3)c(C)c2)cc1[N+](=O)[O-] 2214785 HLMHASHIMZINFB-UHFFFAOYSA-N 468.491 4.274 5 40 JIBB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1 14135453 JCKYJOUCYQZZIZ-UHFFFAOYSA-N 467.547 4.084 5 40 JIBB COc1cccc(Cn2nccc2NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1OC 15204183 OJSNPUWKRKPKJD-UHFFFAOYSA-N 465.510 4.099 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN21 35851576 PKNFLNIAEUQHQA-KWNHSTDBSA-N 486.553 4.117 5 40 JIBB Cc1cccc(N(CCC(N)=O)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 62620557 LLRYPQTUUNCTGA-UHFFFAOYSA-N 478.471 4.047 5 40 JIBB CCCCOC(=O)c1ccccc1/N=c1\nc2[nH]c3ccccc3c(=O)n2cc1Br 100735285 XXDPGFAFOIZAIO-UHFFFAOYSA-N 467.323 4.128 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1cccc2ccccc12 222833454 MIARBSPIHFUCKJ-UHFFFAOYSA-N 475.526 4.260 5 40 JIBB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224736126 XBHCHFRMXVIVDY-MRXNPFEDSA-N 488.382 4.376 5 40 JIBB COc1ccc(OC)c(NC(=O)c2c(N)n(C(=O)c3ccc([N+](=O)[O-])cc3)c3ccccc23)c1 226819917 LBSMNDBQTRCKSI-UHFFFAOYSA-N 460.446 4.090 5 40 JIBB O=C(Nc1cc(C(F)(F)F)ccc1-n1cccn1)N1CCN(c2ccccc2[N+](=O)[O-])CC1 515102540 GBTYYZPWKDBQMB-UHFFFAOYSA-N 460.416 4.153 5 40 JIBB CC1=C(C(=O)Nc2cccnc2)[C@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccccc3)nc2N1 956289 HPDQPBRLWYOGPH-NRFANRHFSA-N 453.462 4.176 5 40 JIBB O=C(CNC(=O)c1ccccc1)OCC(=O)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 1859100 JKPABTIWENMMIW-UHFFFAOYSA-N 468.849 4.196 5 40 JIBB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9963090 UTRZJWHMKQMJTC-IAGOWNOFSA-N 455.511 4.129 5 40 JIBB Cc1cc(C)cc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)c1 33770347 MQFXWXBDBDYUMY-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247331221 OVSIARYNMALIOU-LWSSLDFYSA-N 483.455 4.132 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2)c(OC)c1 409173897 OUMHPJBKCWBTBE-AWNIVKPZSA-N 483.502 4.065 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc([N+](=O)[O-])c1O 409232316 NWDQMWSVDYEYLY-CXUHLZMHSA-N 477.882 4.028 5 40 JIBB CCOc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])[C@H]2C1=O 13804791 WGZWDBGGJLQTEJ-VJBWXMMDSA-N 459.458 4.045 5 40 JIBB Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)c(C)cc1I 14271106 ZCQQJBFUGNUVLL-UHFFFAOYSA-N 469.304 4.251 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)c1ccc(Cl)cc1Cl 103628064 HOYPSNHKNQRXMR-HFTWOUSFSA-N 499.354 4.455 5 40 JIBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223251087 FFAFLXZVVMFWAE-FGZHOGPDSA-N 451.552 4.174 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224908243 XUZPGHUPDDFCIV-CQSZACIVSA-N 498.363 4.233 5 40 JIBB CC(C)OC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 408618214 CSNOOFRMSYUWLJ-BAWWGMJKSA-N 482.492 4.037 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1[N+](=O)[O-] 915456 FAZNPJNSPSJNJH-UHFFFAOYSA-N 462.329 4.192 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H]3C=Cc4ccccc4N3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 9271840 NZIIGMMMXFUKHO-JBXUNAHCSA-N 479.492 4.176 5 40 JIBB O=C(NC(=S)NNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccccc1Br 12622380 CJKCSRWPLNHPNG-UHFFFAOYSA-N 463.235 4.008 5 40 JIBB O=C1[C@@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(F)cc1 102738090 XUFBQHDQWQSUOO-QHAWAJNXSA-N 467.840 4.438 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]21 408684246 NCTCPQNBDATIKO-WNYOCNMUSA-N 453.882 4.003 5 40 JIBB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1 408738631 SVRLIDFHLUTYCO-RUZDIDTESA-N 474.513 4.294 5 40 JIBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(I)c(O)c([N+](=O)[O-])c3)S2)cc1 408777439 ZHMVFFJFHWDNDI-IDGGIGOKSA-N 497.314 4.067 5 40 JIBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 409174217 MDSPVNYVRJCXAN-MOSHPQCFSA-N 478.486 4.069 5 40 JIBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Cl)c([N+](=O)[O-])c1 1872593 HCOPYAPBHKPEIU-UHFFFAOYSA-N 478.896 4.272 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 13135512 NYMMFQNYRROLHO-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB CC(C)[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 14319075 JCXDHAKAFKGJLV-HXUWFJFHSA-N 453.948 4.078 5 40 JIBB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1O 106724370 ICTGJTBBBPFWND-CHHVJCJISA-N 465.281 4.308 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225383192 ANAYSOSHOUDUNL-ROUUACIJSA-N 473.595 4.169 5 40 JIBB COCCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2sc3c(c2c1=O)CCCC3 3549135 SECPOHJCEPUXOJ-UHFFFAOYSA-N 489.575 4.050 5 40 JIBB CC(C)NS(=O)(=O)c1ccc(SCc2cc(Cl)cc3c2OCOC3)c([N+](=O)[O-])c1 9510526 MVJDZFRTKQGQRB-UHFFFAOYSA-N 458.945 4.094 5 40 JIBB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 12524930 FVXRBCPSJJUCPC-UHFFFAOYSA-N 498.561 4.162 5 40 JIBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccs2)[C@@H](c2cccc([N+](=O)[O-])c2)CN1C 13628373 KWFYSNJTTGOGSJ-NYQDVAGCSA-N 463.515 4.041 5 40 JIBB C[C@@H]1CCC[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C 15587726 FTYLCGBRXVSMMJ-JXXFODFXSA-N 466.563 4.327 5 40 JIBB CC(C)COc1cccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c1 22713282 ONWCHKZYRPSTAO-UHFFFAOYSA-N 476.986 4.120 5 40 JIBB CCOc1cc(C(=O)N2CCN([C@H](C)c3nc4ccccc4s3)CC2)c([N+](=O)[O-])cc1OC 24398257 HWYZFPGWFLJNBT-OAHLLOKOSA-N 470.551 4.131 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1Cc1ccccc1 101143710 LYZIFPAOTGDOBL-FSSWDIPSSA-N 463.877 4.295 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O 224058589 VZKGMIULPWHMHK-UHFFFAOYSA-N 453.476 4.207 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccccc1)[C@H]1CCCN12 408565967 MLTXRJVQZNKPNM-AWTIUKJOSA-N 455.514 4.320 5 40 JIBB C[C@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 408658431 VALXACAPERJICL-UAOJZALGSA-N 483.908 4.052 5 40 JIBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)cc3)C2=O)CC1 409356473 GYJMXQDWZCBKRI-HYARGMPZSA-N 495.557 4.469 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1[N+](=O)[O-] 409374510 RMJGLFRFJCFMBP-VCHYOVAHSA-N 455.492 4.204 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223744505 LQJCLDGWFCMHJT-YADHBBJMSA-N 466.519 4.176 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223860699 JBASNASUDQAHEH-INIZCTEOSA-N 489.956 4.112 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3cc(Cl)ccc3OC)o2)c([N+](=O)[O-])c1 408638226 PWJDQGQMJHRALR-UHFFFAOYSA-N 450.860 4.046 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 408729045 XGSOJBRUFCMMJS-DDBVPJQNSA-N 454.482 4.348 5 40 JIBB CCOC(=O)CN1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409042461 NAWKKRLFJOLPAY-RGVLZGJSSA-N 465.487 4.197 5 40 JIBB CCOc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 409187948 DMKCEDABSQEJHF-ODLFYWEKSA-N 456.480 4.217 5 40 JIBB COc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O 409351739 YSRVFCQEPJHBHU-FYJGNVAPSA-N 492.513 4.128 5 40 JIBB COc1ccc(NC(=S)N[C@@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 3137291 RBAWAQKKIBAGEZ-MRXNPFEDSA-N 491.784 4.325 5 40 JIBB CCNc1ccc(C(=O)OCC(=O)c2cc(C)n(Cc3ccc4c(c3)OCO4)c2C)cc1[N+](=O)[O-] 8684844 WGWDSATVMCBIBJ-UHFFFAOYSA-N 479.489 4.262 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 9355991 RCPNKCXJMDSTEN-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1 32109687 GLKBBIRRDHUILJ-HSZRJFAPSA-N 461.522 4.190 5 40 JIBB biogenic CCn1c(=N)cc(-c2nc(-c3ccc(F)cc3)c(NC(C)=O)s2)c2c(=O)n3cccc(C)c3nc21 101902324 IWZORFAHUCEBKG-UHFFFAOYSA-N 488.548 4.345 5 40 JIBB C[C@@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 245224960 IYHRRCLCHQPQKB-AQNXPRMDSA-N 464.632 4.001 5 40 JIBB COc1ccc(NC(=S)N[C@H](NC(=O)c2ccc(C)cc2)C(Cl)(Cl)Cl)cc1[N+](=O)[O-] 3137292 RBAWAQKKIBAGEZ-INIZCTEOSA-N 491.784 4.325 5 40 JIBB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(OC)c([N+](=O)[O-])c4)cc3n2)cc1 8894424 KORXUGJSAZKOQR-UHFFFAOYSA-N 490.545 4.335 5 40 JIBB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 14272105 DLUFYJOYKFKLSJ-UHFFFAOYSA-N 459.462 4.195 5 40 JIBB COc1ccccc1NC(=O)CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12 62588333 UMHPOZIXFLSIRY-UHFFFAOYSA-N 469.526 4.044 5 40 JIBB CN1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2[N+](=O)[O-])CC1 72229294 GEKHRPKMBIBBCZ-UHFFFAOYSA-N 453.724 4.015 5 40 JIBB O=c1oc(=O)c2c(Oc3ccccc3)cc3c(=O)oc(=O)c4c(Oc5ccccc5)cc1c2c34 95614116 NLDUHJQCKDWCPH-UHFFFAOYSA-N 452.374 4.233 5 40 JIBB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222495003 DMTVCABOHFSYPO-XMMPIXPASA-N 495.576 4.353 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@@H]3C2=O)cc1 409367862 MUFCBTAGHALVTH-ZCOIRKDISA-N 454.482 4.260 5 40 JIBB COc1cc(-c2nc3c(c(=O)c4ccccc4n3C)c(=O)n2CCc2ccccc2)cc(OC)c1OC 2219424 LKPUBHBQPQWNDY-UHFFFAOYSA-N 497.551 4.184 5 40 JIBB O=C(Cn1cc([N+](=O)[O-])cn1)Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 2731824 OJEQBGLFKJWPIK-UHFFFAOYSA-N 452.210 4.437 5 40 JIBB Cc1ccc(C(=O)Nc2nnc(SCC(=O)Nc3ccc(F)cc3F)s2)cc1[N+](=O)[O-] 9599933 LCGVIVYBOJQSPZ-UHFFFAOYSA-N 465.463 4.016 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2cccs2)CC1 12862966 DDSOWVHBITWZIR-QHCPKHFHSA-N 499.614 4.271 5 40 JIBB O=C(CN1CCN(C(=O)/C=C/c2ccccc2[N+](=O)[O-])CC1)Nc1ccc(Cl)c(C(F)(F)F)c1 16043738 FEUIJIOKSBNLBP-VMPITWQZSA-N 496.873 4.063 5 40 JIBB C[C@H](C(=O)Nc1ccc(C(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62353342 QGYPREYDWUWKSQ-OAHLLOKOSA-N 473.455 4.311 5 40 JIBB O=C1c2cc([N+](=O)[O-])cc3cc([N+](=O)[O-])cc(c23)C(=O)N1c1ccccc1I 95470749 SIUIOBYWFSVAEO-UHFFFAOYSA-N 489.181 4.061 5 40 JIBB O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1n[nH]c([N+](=O)[O-])c1Br 2793276 GUOWGTRBDGSQKI-UHFFFAOYSA-N 460.216 4.058 5 40 JIBB COc1ccc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(C)c3ccccc3c2=O)cc1OC 9089858 RVNFSRUIUJHTTQ-UHFFFAOYSA-N 459.458 4.383 5 40 JIBB C[C@@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] 9630448 UMLYLODFQMCMNX-KAUXGEHWSA-N 483.484 4.426 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NC[C@@H]1COc2ccccc2O1 15981037 PDUXLZOXLSVAKU-MRXNPFEDSA-N 475.910 4.301 5 40 JIBB Cc1nc(Nc2cc(Br)ccn2)nc(Nc2cc(Br)ccn2)c1[N+](=O)[O-] 16249506 ZIKQXUUXYKQVOJ-UHFFFAOYSA-N 481.108 4.495 5 40 JIBB O=C1[C@@H]2C(c3ccc(Br)cc3)=NN(c3ccccc3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100871336 GCJGOOWWYFJDCR-CTNGQTDRSA-N 491.301 4.140 5 40 JIBB COc1nn(CCc2nnc(Nc3ccn(Cc4c(Cl)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731059 WDUDKRYURIIKLQ-UHFFFAOYSA-N 495.352 4.189 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223148510 WMMODSOSPVRREZ-JKSUJKDBSA-N 476.371 4.232 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(C)c2)cc1 408674567 AQFHPMGZNUHRPO-UHFFFAOYSA-N 485.518 4.120 5 40 JIBB CC(C)OC(=O)c1cccc(N2C(=O)[C@H]3C4c5ccccc5C([N+](=O)[O-])(c5ccccc54)[C@H]3C2=O)c1 409370102 LAHUWGBINZPNTF-MSSGHMPVSA-N 482.492 4.037 5 40 JIBB C[C@@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3335501 PPRUAVOXUHOTDJ-QFQMRYFISA-N 483.484 4.426 5 40 JIBB COc1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 9313181 SEURAFXKYPYKPI-QORCZRPOSA-N 471.469 4.499 5 40 JIBB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1 14269088 NNTLBFMMLCWKNZ-RMKNXTFCSA-N 465.362 4.138 5 40 JIBB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 22746904 KSDVEQZIDKOMOX-UHFFFAOYSA-N 488.875 4.230 5 40 JIBB O=C(COC(=O)c1ccc(NC(=O)c2ccccn2)cc1)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32933340 LEPOIZRCAZCESC-UHFFFAOYSA-N 488.378 4.056 5 40 JIBB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)c([N+](=O)[O-])cc1OCc1ccccc1 205778062 ZPEPBNITNCRVNY-KEBDBYFISA-N 486.502 4.170 5 40 JIBB Cc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 408585151 BOGKJLBYVYTZFX-UHFFFAOYSA-N 467.547 4.084 5 40 JIBB CC(C)Oc1cccc(NC(=O)CN(c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccccc2)c1 408617255 FRUVJLBQOGTSEI-UHFFFAOYSA-N 469.519 4.216 5 40 JIBB O=C(O)/C(=C/c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O)Sc1nnc(-c2ccc(Cl)cc2)o1 408633249 JJTBBYOOICQXGJ-MLPAPPSSSA-N 464.799 4.130 5 40 JIBB COc1ccc(C(=O)C[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408687822 VEWSKTLNNCYWAV-HSZRJFAPSA-N 467.499 4.210 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 409219267 OYVVAGOVYUWAFJ-SXGWCWSVSA-N 476.308 4.341 5 40 JIBB O=C(O[C@@]1(C(F)(F)F)C(=O)Nc2c1ccc1ccccc21)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3212643 GMOYIAPWXUBMFM-LJQANCHMSA-N 461.308 4.223 5 40 JIBB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc([N+](=O)[O-])cc1C(F)(F)F 9613160 AVUJPORAPHGAMD-UHFFFAOYSA-N 453.398 4.338 5 40 JIBB COc1cc(NC(=O)C2=C(C)NC(=O)N[C@@H]2c2ccc(Cl)c([N+](=O)[O-])c2)c(OC)cc1Cl 12467422 LDVXTEDIAKAOOR-GOSISDBHSA-N 481.292 4.185 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)C2CC2)cc1 12605014 GOIJJJGCDKDPNH-UHFFFAOYSA-N 481.530 4.209 5 40 JIBB Cc1ccc(CNC(=O)c2cc3c(=O)n4cccc(C)c4nc3n(Cc3ccccc3Cl)c2=N)cc1 101150443 HRFBNLLAMQVKOS-UHFFFAOYSA-N 497.986 4.377 5 40 JIBB Cc1cc(C)c([C@H](C)NC(=O)CCCN(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C 223485521 SSUISYCXSJNLLY-IBGZPJMESA-N 461.584 4.252 5 40 JIBB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12 248098870 IUNUTYSLFQQAGK-WUEDSLEZSA-N 497.507 4.009 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1cccc(C(=O)NCCc2ccc(Cl)cc2)c1 2618128 VKAPMCNZEANXLQ-UHFFFAOYSA-N 489.937 4.030 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)o2)c([N+](=O)[O-])c1 6924660 CLAIJAADZWQDDB-UHFFFAOYSA-N 465.285 4.147 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ncnc2scc(-c3ccccc3)c12 9666131 BABQVPNOJYOOBK-UHFFFAOYSA-N 498.542 4.080 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(Cc2ccccc2)c2nc3ccccc3n2[C@@H]1c1cccc([N+](=O)[O-])c1 19818610 RFWNJPZHMKDPID-XZOQPEGZSA-N 470.485 4.260 5 40 JIBB Nn1c(S[C@@H](C(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)c2ccccc2)nnc1C(F)(F)F 36640292 LOCOLNDIZLJILL-CYBMUJFWSA-N 472.836 4.044 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1ccccc1C 103001318 RHSHYBIBDOYQNZ-QCWLDUFUSA-N 484.556 4.381 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccccc1 248094855 HWJLUUFLOUQPQJ-DDKRZIBASA-N 479.492 4.176 5 40 JIBB COC(=O)C(=Cc1cc(Cl)c(Oc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(Cl)c1)C(=O)OC 409084314 VDPJGPQMGWACAE-UHFFFAOYSA-N 471.205 4.332 5 40 JIBB Cn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 409348401 SNGXNPVHQWHMEM-UHFFFAOYSA-N 452.323 4.252 5 40 JIBB O=C1N[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 1464508 GGFOEEAMEYXTMC-DBXWQHBBSA-N 493.369 4.098 5 40 JIBB O[C@H](COC[C@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1 3171175 ZNLWJUXDWGDGPH-IGKIAQTJSA-N 492.592 4.043 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 4163353 YTBKTEVAVYLOSN-OTWHNJEPSA-N 455.879 4.361 5 40 JIBB CNc1ccc(C(=O)c2ccccc2C(=O)OCc2ccc(-n3cccn3)cc2)cc1[N+](=O)[O-] 9119035 YVXZGYCCRQAZDB-UHFFFAOYSA-N 456.458 4.410 5 40 JIBB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1 9569275 BKKCRUMJCDFBNC-UHFFFAOYSA-N 455.467 4.128 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(Cc3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 10475654 UKIJBDZPCUTORL-UHFFFAOYSA-N 463.313 4.370 5 40 JIBB CCCN1C(=O)c2ccccc2[C@H]1N(c1ccccc1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1 13940478 WMTLKFQKXFEMDO-JOCHJYFZSA-N 451.504 4.355 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408689187 XTRWFWFUMCYXGC-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408689687 YVPLQJMKGDSLTM-MOPGFXCFSA-N 453.882 4.147 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409071014 IAUVKFWFUUNJEG-CIAFOILYSA-N 477.448 4.414 5 40 JIBB O=C(c1ccc(F)cc1)[C@H]1[C@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=N[C@@]1(O)C(F)(F)F 8691773 GGFOEEAMEYXTMC-LQWHRVPQSA-N 493.369 4.302 5 40 JIBB CCOC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)ccc1N1CCOCC1 9907779 LJICHDWQINDITR-UHFFFAOYSA-N 465.462 4.120 5 40 JIBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCCC1 26116890 LRLMSJJNIFWTCQ-UHFFFAOYSA-N 469.972 4.397 5 40 JIBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1 59502183 NYVPSYXMNRJNDE-UHFFFAOYSA-N 480.274 4.258 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224814389 XFJJOLBZGNIRHR-INIZCTEOSA-N 463.987 4.425 5 40 JIBB O=[N+]([O-])c1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)cc(I)c1O 408734114 DDALPBIPCMPXIQ-UHFFFAOYSA-N 469.260 4.161 5 40 JIBB O=C(CN1C(=O)N/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O)Nc1ccccc1F 409212554 NAKDZZBXHUFMBT-VCHYOVAHSA-N 484.827 4.179 5 40 JIBB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1C 409345043 LDWVYTVIGXIRQY-UHFFFAOYSA-N 469.567 4.255 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)c1ccc2c(c1)C(=O)N(c1ccc(Br)cc1)C2=O 3150493 OBXIKRRROSSRHA-UHFFFAOYSA-N 451.232 4.389 5 40 JIBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)CC1 8904398 QWSBUKPBRBSMDC-UHFFFAOYSA-N 465.337 4.459 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 9127668 SBELGLUMBYJONF-ZFWWWQNUSA-N 489.579 4.222 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc([N+](=O)[O-])c4)[C@H]3C2=O)cc1 9331346 ABHSKXFQMILWRZ-SMIHKQSGSA-N 473.485 4.435 5 40 JIBB COc1ccc(CNC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)cc1 9515834 KDSZCSOACDKXGG-MRXNPFEDSA-N 490.541 4.100 5 40 JIBB COc1cc2c(cc1OC)CN1[C@@H](C2)C(=O)N(CCc2ccccc2)[C@@H]1c1cccc([N+](=O)[O-])c1 35754349 JGYSQDQPKFELTL-OZXSUGGESA-N 473.529 4.122 5 40 JIBB Cc1c(-c2ccccc2)sc(NC(=O)CCn2cc([N+](=O)[O-])cn2)c1C(=O)N1CCCCC1 69484139 CIKSRYDKZQJAPZ-UHFFFAOYSA-N 467.551 4.483 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Br)C2=O)cc1[N+](=O)[O-] 409344223 IGJPKJROEFJRFK-CXUHLZMHSA-N 492.307 4.041 5 40 JIBB O=[N+]([O-])c1nn(Cc2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1Cl 2809198 NRCPDNCBBPXSMG-UHFFFAOYSA-N 469.289 4.125 5 40 JIBB CC(C)=C[C@@H]1[C@H](C(=O)N2CCN(c3ccc([N+](=O)[O-])c(-n4nc(C)cc4C)c3)CC2)C1(C)C 12446076 RUGWGHHBGJIRFD-NFBKMPQASA-N 451.571 4.284 5 40 JIBB O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1O)c1ccc(-c2ccc(Br)cc2)o1 14270320 VHTBQDBBNHIZFB-UHFFFAOYSA-N 462.281 4.450 5 40 JIBB COc1cc(C(=O)Nc2cc([N+](=O)[O-])ccc2C)c(N(Cc2ccccc2)S(C)(=O)=O)cc1OC 22253710 YAJDQEDNGGJYEY-UHFFFAOYSA-N 499.545 4.139 5 40 JIBB Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1[N+](=O)[O-] 32116660 DIDMSTHBJSKBOD-UHFFFAOYSA-N 489.145 4.261 5 40 JIBB CCOc1cc(C(=O)Nc2ccc([N+](=O)[O-])cc2)cc(I)c1OCC 35045820 UAXLYMFGUMBVPT-UHFFFAOYSA-N 456.236 4.249 5 40 JIBB COc1cc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccc([N+](=O)[O-])cc2)ccc1O 101166462 JOMCFRDCHSYCOG-BDTNDASRSA-N 495.875 4.014 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccc(OCc3ccccc3)cc1)[C@@H]1CCCN12 408566014 MQFLUVULGUOSNZ-CLPFNFTISA-N 455.514 4.320 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 408683662 LXRNYXIJZFECRF-CALCHBBNSA-N 474.300 4.410 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408687267 UADLQLJLSPEALZ-ISZNXKAUSA-N 486.311 4.266 5 40 JIBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(Cc4ccccc4OC)cnc32)cc1 2240463 ZUFYSZNEYWUTBY-UHFFFAOYSA-N 477.524 4.408 5 40 JIBB O=C(CSc1ccc(S(=O)(=O)C(F)(F)F)cc1[N+](=O)[O-])Nc1ccc(Cl)cc1F 2652643 QEMVFUDXTMZAST-UHFFFAOYSA-N 472.825 4.412 5 40 JIBB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1 3267518 ZKJICPUHEQIBMT-INIZCTEOSA-N 472.526 4.364 5 40 JIBB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc([N+](=O)[O-])c4)cc3C[C@H]2C)cc1 10327008 QWLIXSGIJYKCEB-MRXNPFEDSA-N 451.504 4.295 5 40 JIBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 59678016 SQURCHUCWJGZML-XSZPGNIMSA-N 483.524 4.366 5 40 JIBB COc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cc([N+](=O)[O-])ccc4Cl)[C@H]3C2=O)c1 102759823 WFWHOMVDKSSNJY-BHIFYINESA-N 479.876 4.308 5 40 JIBB CCN1CCN(c2ccc(C(=O)OC)cc2NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)CC1 9907989 KKCPKSJKTGIZPL-UHFFFAOYSA-N 478.505 4.036 5 40 JIBB CN(c1ccccc1O)S(=O)(=O)c1cc(C(=O)Nc2ccccc2[N+](=O)[O-])ccc1Cl 15109680 LLQRLMHUDRCACU-UHFFFAOYSA-N 461.883 4.031 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36307740 FMGTUNYTVQMLOI-QTZVNIFKSA-N 486.553 4.117 5 40 JIBB O=C(Nc1cnn(Cc2cccc3ccccc23)c1)c1cc(-c2cccc([N+](=O)[O-])c2)nc2ncnn12 36619448 AGFFEUBDSXAINH-UHFFFAOYSA-N 490.483 4.350 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)cc1Cl 107972523 WXNBQIAGWASYQV-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1[N+](=O)[O-] 1311519 MXOCYHMSXKRDTH-UHFFFAOYSA-N 468.457 4.349 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@H]3C2=O)cc1 6142192 PXQIWNKHRHOWMU-ZLNRFVROSA-N 459.458 4.045 5 40 JIBB COc1cc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)ccc1[N+](=O)[O-] 6907007 KOJYFYVFYQBCAN-UHFFFAOYSA-N 465.285 4.147 5 40 JIBB C[C@H](OC(=O)/C=C/c1cc(Cl)c2c(c1)OCO2)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 22169587 JFIKXKYNBISREX-FWYAXHSGSA-N 453.234 4.214 5 40 JIBB CC1=C(C(=O)N(C)C)[C@H](c2cc([N+](=O)[O-])c(F)cc2F)NC(=S)N1c1cc(C)cc(C)c1 40152370 IOWDTQDZDSDMGG-FQEVSTJZSA-N 460.506 4.288 5 40 JIBB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224959726 UYQMUAWRVUUPCL-VWLOTQADSA-N 477.536 4.441 5 40 JIBB COc1cc(COC(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c([N+](=O)[O-])cc1OC(F)F 10960019 DCOMZQPIMMNAAS-BQYQJAHWSA-N 490.459 4.200 5 40 JIBB CCCCCn1/c(=N\C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101119373 SEWNJQIDQISUHQ-FAJYDZGRSA-N 492.963 4.411 5 40 JIBB COc1cccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2cccc([N+](=O)[O-])c2)c1 102738384 TVXUPODSUZCLEI-YPAWHYETSA-N 479.876 4.308 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 223148564 WMMODSOSPVRREZ-CVEARBPZSA-N 476.371 4.232 5 40 JIBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NCc1ccccc1N1CCC(CO)CC1 8763254 MSPZQLHOBXTOHC-UHFFFAOYSA-N 454.405 4.343 5 40 JIBB CCOC(=O)C1=C(C)N(c2ccc3c(c2)OCO3)C(=O)N[C@@H]1c1ccc(Cl)c([N+](=O)[O-])c1 12741194 TVTMMEBQDOLORY-LJQANCHMSA-N 459.842 4.085 5 40 JIBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223217683 DBTJMSNPIPAGAB-HXUWFJFHSA-N 471.554 4.013 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@@H](C(=O)c3ccccc3)[C@@H]2C1=O 248123988 TUVIACLWIODXFI-ZYQDXHPFSA-N 479.492 4.302 5 40 JIBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccccc1 408663320 YJHPPLZEWKSTKR-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 408917719 AKFQTWGSWRHWPL-LQDNNDEMSA-N 460.873 4.351 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(SC)c3)C2=O)cc1[N+](=O)[O-] 409153251 MGGGORMOIRXEBX-RQZCQDPDSA-N 459.505 4.000 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)cc1 9667718 DSIAGPFLWFXQJV-UHFFFAOYSA-N 453.520 4.041 5 40 JIBB O=C(Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1)C1(c2ccc(Cl)cc2)CC1 14826634 BBNAVTVUAYAYOB-UHFFFAOYSA-N 463.924 4.208 5 40 JIBB O=C(OCC(=O)N1CCOCC1)c1c2c(nc3ccccc13)/C(=C\c1ccc([N+](=O)[O-])cc1)CCC2 35078373 RQPWAWVIIVAIOE-MNDPQUGUSA-N 487.512 4.036 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc2ccccc2c1 103001102 NYNLKSYNEWHIJI-QCWLDUFUSA-N 480.524 4.301 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408568211 SIHRXNMGQOZLJN-QFZRFWILSA-N 463.921 4.441 5 40 JIBB CCOC(=O)c1cc([C@H](C)c2ccccc2)sc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2765006 RNJXLZJDMQDXCZ-CYBMUJFWSA-N 456.524 4.437 5 40 JIBB CCOC(=O)c1sc(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c(C(=O)OCC)c1C 14279050 YZDONXJGXQDHMS-UHFFFAOYSA-N 475.523 4.171 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12 35808601 LHWAUNQNILQLOD-AYPBNUJASA-N 451.866 4.217 5 40 JIBB COC(=O)c1c(NC(=O)Cn2nc([N+](=O)[O-])c(Cl)c2C)sc2c1CC[C@H](C(C)(C)C)C2 2738287 XWTSAUCWSOBUIL-NSHDSACASA-N 468.963 4.391 5 40 JIBB COc1cc(C(=O)OCC(=O)Nc2ccc([N+](=O)[O-])cc2C)ccc1OCc1ccccc1 9179917 WRPJADCQMXKPRD-UHFFFAOYSA-N 450.447 4.286 5 40 JIBB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4cccc([N+](=O)[O-])c4)cc32)cc1 9738507 KQVURCQONHAIQB-UHFFFAOYSA-N 451.504 4.297 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN21 13813742 FMGTUNYTVQMLOI-TUGCOKMYSA-N 486.553 4.117 5 40 JIBB Cc1ccccc1C(=O)Oc1c(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)c(C)nn1-c1ccccc1 17135882 GURKYGYZCLESJP-UHFFFAOYSA-N 477.498 4.449 5 40 JIBB O=C(Cn1cnc2cc3ccccc3cc2c1=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 24322706 KKTUWTHKMDNVTD-UHFFFAOYSA-N 482.462 4.044 5 40 JIBB COC(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)c(NC(=O)c2cccc([N+](=O)[O-])c2C)c1 57222829 SEWAREYODAZHMR-UHFFFAOYSA-N 488.544 4.264 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@@H]2C1 408681315 HRZNAQVYSOPGAX-LSBZLQRGSA-N 455.898 4.227 5 40 JIBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 409178784 NJCXCYSZHZLJPD-DEOSSOPVSA-N 477.429 4.389 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409236311 DNKATOZRSDOYHT-YBFXNURJSA-N 460.446 4.192 5 40 JIBB O=C(OCc1cc(=O)oc2ccc3ccccc3c12)c1ccc(S(=O)(=O)NCc2ccco2)cc1 2654218 YMRWFZMUKWZXIF-UHFFFAOYSA-N 489.505 4.375 5 40 JIBB Cn1cnnc1Sc1ccc(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)cc1[N+](=O)[O-] 3486680 VWBZEDDVAUNFGY-UHFFFAOYSA-N 488.481 4.491 5 40 JIBB CC(C)CCNC(=O)c1c(N)n(-c2ccc(Cl)c([N+](=O)[O-])c2)c2nc3ccccc3nc12 9245848 ACMWRCKDERNFNQ-UHFFFAOYSA-N 452.902 4.493 5 40 JIBB O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CSC2)c1ccccc1I 9404444 KPDOEWCFHOZTHH-UHFFFAOYSA-N 492.298 4.384 5 40 JIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3NS(=O)(=O)c3ccccc3)nc12 9714691 KTKIJXJRIJWMNM-UHFFFAOYSA-N 484.515 4.266 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1[N+](=O)[O-] 20528708 LBPIMNZTVRHMEL-UHFFFAOYSA-N 474.945 4.204 5 40 JIBB CCc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 22854905 HEHNYVGTJSWLQT-FQEVSTJZSA-N 482.541 4.018 5 40 JIBB CCCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5ccccc5[N+](=O)[O-])o4)c(=O)n3n2)cc1 26779646 MFBOMNWWQBQNOL-KGENOOAVSA-N 474.498 4.323 5 40 JIBB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1[N+](=O)[O-] 215237179 XPPSWWUMUBILJV-CXUHLZMHSA-N 496.282 4.445 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 409137772 XSTKHJPWKYHVAY-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)CCC(=O)Nc3ccc([N+](=O)[O-])cc3)cc2)cc1 409180630 XMNXZBSFEIHSFJ-UHFFFAOYSA-N 490.468 4.267 5 40 JIBB CSc1cccc(NC(=O)C2CCN(S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)CC2)c1 9613216 BBOWRTZFWUCJBA-UHFFFAOYSA-N 469.972 4.010 5 40 JIBB O=C(NC(=S)N1CCN(c2c(Cl)cccc2[N+](=O)[O-])CC1)c1cccc(Cl)c1Cl 16383819 XWWDJQROJNNXDR-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C(=O)NCCCN(C)C)cc1 35112659 DAFPTHXWZCKQGM-QJOMJCCJSA-N 476.533 4.002 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCC[C@@H](c4nc(C)no4)C3)c([N+](=O)[O-])c2)c(C)c1 40156373 HYTXYCYIWZQGGF-QGZVFWFLSA-N 471.539 4.088 5 40 JIBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223322811 GVVBNLUMRDLSCX-RXYZOABWSA-N 450.520 4.401 5 40 JIBB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223425508 YZXWENDYVRLBGH-GOSISDBHSA-N 473.595 4.170 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccccc1OCc1ccc(F)cc1)[C@H]1CCCN12 408569398 WMLUTYDPNLNKFG-YUHKXCSQSA-N 473.504 4.459 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408680255 FZRBOSGCLVTOFA-CCKFTAQKSA-N 455.898 4.227 5 40 JIBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408688057 VPJOJZWCLHJIPP-JOCHJYFZSA-N 482.470 4.110 5 40 JIBB O=C(c1ccc2nc3c4cccnc4c4ncccc4c3nc2c1)N1CCN(c2ccccn2)CC1 408978394 ZGYNEOJVXQSTBH-UHFFFAOYSA-N 471.524 4.237 5 40 JIBB O=C(c1ccc(COc2ccc([N+](=O)[O-])cc2)o1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 8455654 AJUSRDDPUBVFNX-UHFFFAOYSA-N 465.550 4.493 5 40 JIBB Cc1ccccc1-n1nnnc1S[C@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13137900 NCLSLWKKXPDHHQ-CYBMUJFWSA-N 467.536 4.122 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 14135385 ZGSSJZPAHSEXPW-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(Oc2cccc(C(=O)NCc3ccccc3)c2)c([N+](=O)[O-])c1 15166427 JQXVFEOADDOGBZ-UHFFFAOYSA-N 483.546 4.348 5 40 JIBB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 57315938 UPZNEJXGXZHOJZ-UHFFFAOYSA-N 476.971 4.370 5 40 JIBB COc1ccc([C@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@]32C)cc1 102700022 IFZCGEDPQUXAFJ-SLSDLSHTSA-N 459.458 4.045 5 40 JIBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 225512879 VIMOVMOEDTZDFS-JWQCQUIFSA-N 498.568 4.392 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 408705824 ODYCZMYDXWGSFV-UHFFFAOYSA-N 495.966 4.467 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)N/C(=C/c3ccc(-c4ccc(Cl)cc4[N+](=O)[O-])o3)C2=O)c1 409108317 ZZAWGLPFADONKI-WOJGMQOQSA-N 480.864 4.348 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(CSCc2ccc(F)cc2)n1C 409360145 LPBVYKYBNHWONX-UHFFFAOYSA-N 461.544 4.335 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2C[C@H]2CCCO2)c1 976409 DTGFIGWPACJXDR-LJQANCHMSA-N 453.524 4.072 5 40 JIBB O=C(Cn1cnc([N+](=O)[O-])c1)Nc1cc(Oc2ccc(Cl)cc2Cl)cc([N+](=O)[O-])c1 3011832 XOLQXQDCSIQCDI-UHFFFAOYSA-N 452.210 4.437 5 40 JIBB O=[N+]([O-])c1cc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)cc([N+](=O)[O-])c1 8996392 FBMLSAMSORBNGE-UHFFFAOYSA-N 456.374 4.181 5 40 JIBB CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)cc1 14319076 JCXDHAKAFKGJLV-FQEVSTJZSA-N 453.948 4.078 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccccc1[N+](=O)[O-] 19818216 XFLNQVXXESXTEN-RTWAWAEBSA-N 450.495 4.106 5 40 JIBB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc([N+](=O)[O-])cc1Br 62656859 UNKHUMHFCPUOAD-UHFFFAOYSA-N 487.276 4.137 5 40 JIBB COC(=O)C1=C(C)Nc2nc(SCc3ccccc3F)[nH]c(=O)c2[C@H]1c1ccc([N+](=O)[O-])cc1 100821762 VZDUPEOJCCBNJN-SFHVURJKSA-N 482.493 4.114 5 40 JIBB O=C(COC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccccc1[N+](=O)[O-] 103199306 PIBPCKZFKSYVCE-RCRDTURJSA-N 451.317 4.201 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223740460 KTWXYDJBSVGEJE-XZOQPEGZSA-N 496.545 4.184 5 40 JIBB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)C(=O)c2cccc([N+](=O)[O-])c2)cc1 408687409 UFDNZYJCHIVIEI-JOCHJYFZSA-N 482.470 4.110 5 40 JIBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCc1ccc(F)cc1 8792425 ZBMDIMAMEAQHMS-UHFFFAOYSA-N 451.457 4.426 5 40 JIBB biogenic Cc1csc(Sc2ccc(C(=O)O[C@H](C)C(=O)NCc3ccccc3)cc2[N+](=O)[O-])n1 12589306 VWMUJIGNXUAISW-CQSZACIVSA-N 457.533 4.373 5 40 JIBB Cc1c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCC[C@H](C)C3)c2)cccc1[N+](=O)[O-] 15790919 ZDLWEJNHBYUMMN-ZDUSSCGKSA-N 451.932 4.230 5 40 JIBB O=C1[C@@H]2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 100949330 ZWNVFYNPUBFYSU-TZIWHRDSSA-N 491.301 4.140 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409014795 KBTVCQPWEWUUQG-ONDHQXCVSA-N 456.476 4.162 5 40 JIBB O=C(COC(=O)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-])c1ccc(Cl)cc1 409182833 PBEOZSHORNWQII-UHFFFAOYSA-N 459.863 4.121 5 40 JIBB CCCCn1c(-c2cc(OC)c(OC)c(OC)c2)nc2oc3cc(OC)ccc3c(=O)c2c1=O 2215785 KDLRDFOGPPSURE-UHFFFAOYSA-N 466.490 4.004 5 40 JIBB O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(Cn2cc(Cl)c([N+](=O)[O-])n2)cc1 2809298 SDWNPUCSGODNFM-UHFFFAOYSA-N 454.849 4.129 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1 3596390 DWMCHVJCYIIXFZ-UHFFFAOYSA-N 465.491 4.234 5 40 JIBB Cc1ccccc1NC(=O)CSc1nnc2n3ncnc3c3c4c(sc3n12)CC[C@H](C)C4 9346216 ZFHMZNGJKJRFCV-LBPRGKRZSA-N 463.592 4.151 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 13786488 NMSXMQASPHSVCT-HJOGWXRNSA-N 473.485 4.435 5 40 JIBB CCOC(=O)[C@@H]1C(=O)N(CCC(C)C)c2nc3ccccc3n2[C@H]1c1ccc([N+](=O)[O-])cc1 20802706 JUPCMECQNDLHHS-SFTDATJTSA-N 450.495 4.106 5 40 JIBB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223074666 QLIXQRUANNCZSE-VXKWHMMOSA-N 468.535 4.267 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1NC(=O)c1ccccc1F 408550592 FMJHXEKVQPFPHK-UHFFFAOYSA-N 459.455 4.104 5 40 JIBB COc1ccc(C(=O)[C@H](C)OC(=O)[C@@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408645777 IHITVRBMYFJOKL-LAUBAEHRSA-N 488.496 4.438 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N([C@H](C)C(=O)OC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409074916 OHJMDLKMWXACCB-MQMKENTISA-N 486.502 4.170 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1cccc(Br)c1 409373266 SVNIKIXBOPUIFH-CAZKKTPXSA-N 475.298 4.234 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc(Cl)c(Cl)c1 8832720 WAUPPMQSNTZVCC-UHFFFAOYSA-N 473.769 4.392 5 40 JIBB O=[N+]([O-])c1cccc(S(=O)(=O)N2CCN(c3cc(-c4ccccc4)c4ccccc4n3)CC2)c1 13062686 ZBAGNITZGABEHF-UHFFFAOYSA-N 474.542 4.321 5 40 JIBB O=C1S/C(=C/c2ccccc2[N+](=O)[O-])C(=O)N1Cc1ccc(I)cc1 215197034 NGDBJHXEDLYLFA-OQLLNIDSSA-N 466.256 4.436 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225096167 XGBFNFWYAGKRQR-MOPGFXCFSA-N 457.596 4.468 5 40 JIBB COc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408917722 AKFQTWGSWRHWPL-ZKKFKWFVSA-N 460.873 4.351 5 40 JIBB CC(=O)Nc1scc(-c2cccs2)c1C(=O)OCC(=O)Nc1cccc([N+](=O)[O-])c1C 10151413 KNTQNLYYRXNXKU-UHFFFAOYSA-N 459.505 4.447 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1Br 13686995 VUCDUKWQOFVHBX-QHAWAJNXSA-N 494.301 4.408 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1cc([N+](=O)[O-])ccc1Cl 14273358 MIOCKIYAHYTOJR-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)c1ccc(-n2cncn2)c([N+](=O)[O-])c1 24401814 DPZHRTJESLSASB-UHFFFAOYSA-N 479.500 4.300 5 40 JIBB CCOC(=O)c1c(NC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)sc(C(=O)OC)c1C 59294198 QILORBODJLEACN-UHFFFAOYSA-N 489.550 4.417 5 40 JIBB CCC1(CC)C[C@H](NC(=O)CCCN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)c2ccccc2O1 225032127 SGXWQBDYXSZYBL-NRFANRHFSA-N 489.594 4.340 5 40 JIBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225597496 ODMMOBZEXCRDHL-QHCPKHFHSA-N 465.937 4.177 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Cl)ccc3Cl)CC2)c([N+](=O)[O-])c1 408575327 UJUZNQJSUSTSCB-UHFFFAOYSA-N 452.294 4.041 5 40 JIBB Cc1cc(-c2ccc(/C=C3\SC(=O)N(CC(=O)N4CCCC4)C3=O)o2)c([N+](=O)[O-])cc1C 409145983 PJUMBQLDGVIOMQ-ODLFYWEKSA-N 455.492 4.130 5 40 JIBB Cc1ccc(NC(=O)[C@@H](Cc2ccc([N+](=O)[O-])cc2)N2C(=O)c3ccccc3C2=O)cc1Cl 828601 IUKLCVYAKLAORQ-OAQYLSRUSA-N 463.877 4.403 5 40 JIBB CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N12 8964739 WVFGNIMBQFZYTP-XVOBZGQLSA-N 479.492 4.157 5 40 JIBB biogenic COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1ccccc1[N+](=O)[O-])CC2 11726272 UGPRMKSMXFFVKO-JOCHJYFZSA-N 493.472 4.339 5 40 JIBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 12564109 KOESHCOJZFISTE-QHCPKHFHSA-N 458.474 4.440 5 40 JIBB CN(C)[C@@H](CNC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccccc1 13070873 VMABWUNCVPDZSY-NRFANRHFSA-N 464.488 4.249 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCOCC2)ccc1Oc1ccc2oc3c(c2c1)CCCC3 13096558 ZNNPLDJXAAXJCL-UHFFFAOYSA-N 458.492 4.033 5 40 JIBB Cn1cc([C@H]2CC(c3ccc(I)cc3)=NN2c2ccc([N+](=O)[O-])cc2)cn1 22709014 HIPFFQTZGPVJMG-LJQANCHMSA-N 473.274 4.289 5 40 JIBB COC[C@H](C)n1c(S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nc2ccccc2c1=O 2619724 CFAWBFPDKNUHFH-QWHCGFSZSA-N 476.942 4.285 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(I)cc3)o2)cc1[N+](=O)[O-] 9200436 IVIQZVCBYIRRRK-UHFFFAOYSA-N 496.286 4.289 5 40 JIBB COc1c(C(=O)NC(=S)NNc2ccc([N+](=O)[O-])cc2)cc2ccccc2c1Br 14275266 FFYLSDHXSGRPQX-UHFFFAOYSA-N 475.324 4.151 5 40 JIBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 22313614 AYXBLCUSSINHHK-HSZRJFAPSA-N 483.546 4.066 5 40 JIBB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 102442308 IQEUXVUXVPCISO-UOBYYGQQSA-N 462.388 4.367 5 40 JIBB O=C(Nc1cc(C(F)(F)F)ccc1F)C12C[C@@H]3C[C@@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102834011 WROUQNOZGQTYOX-VMFHFQHDSA-N 453.396 4.278 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(C(=O)c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C1=O 103769211 LKQQYCUEDOYGCC-IRLDBZIGSA-N 488.887 4.174 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc4c(c3)OCO4)c2ncn1Cc1ccccc1 2308950 FFKANEDFFVCVHE-UHFFFAOYSA-N 461.481 4.120 5 40 JIBB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3260358 JEFXYRZDDVIUKE-UHFFFAOYSA-N 496.242 4.483 5 40 JIBB O=C(Nc1ccccc1C(=O)N1CCN(c2ccccc2)CC1)c1ccc([N+](=O)[O-])cc1Cl 9668962 AUWSPIVINKAXJJ-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB CCOc1cc(/C=C/C(=O)OCC(=O)Nc2cc(C)c(C)cc2[N+](=O)[O-])cc(Cl)c1OC 9963796 ZMEFPLABHGZHMH-VOTSOKGWSA-N 462.886 4.467 5 40 JIBB C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 15549306 YLBVPXQNLPMGAV-INIZCTEOSA-N 476.489 4.207 5 40 JIBB CCOC(=O)c1cc(C(=O)NCCSCc2ccc(Br)s2)cc([N+](=O)[O-])c1 18161313 OJWWYSSLYOMQDR-UHFFFAOYSA-N 473.370 4.259 5 40 JIBB COc1ccc(-c2noc(CN(C(=O)COc3ccc([N+](=O)[O-])c(C)c3)C(C)(C)C)n2)cc1 22257451 CQOGOYODVUKAFS-UHFFFAOYSA-N 454.483 4.168 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 32933365 RBHJDNGUBHQBRL-INIZCTEOSA-N 486.834 4.121 5 40 JIBB O=c1[nH]c(/C=C/c2cc(Br)ccc2OCc2ccccc2F)nc(O)c1[N+](=O)[O-] 9234787 XREVGPJOOYSFJO-VMPITWQZSA-N 462.231 4.035 5 40 JIBB C[C@H](OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)C(=O)Nc1cccc([N+](=O)[O-])c1 10021894 OHFUDZFZWKSXTQ-HNSVSWJLSA-N 450.582 4.468 5 40 JIBB O=C(COC(=O)c1ccc(NC(=S)Nc2ccccc2)cc1)Nc1cccc([N+](=O)[O-])c1 13579058 YEPDWJYBAQLCCU-UHFFFAOYSA-N 450.476 4.199 5 40 JIBB C[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)c2C(N)=O)C1 14276584 VCIXTARTAYTYPN-NSHDSACASA-N 484.559 4.267 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(I)cc2C)cc1[N+](=O)[O-] 22819981 WGVFQQDYDIWQRK-UHFFFAOYSA-N 499.330 4.342 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)s2)cc1 39761020 MORMZVPSZJZCLA-UHFFFAOYSA-N 495.542 4.475 5 40 JIBB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225354477 JHAZXDHTYNXYIC-QHCPKHFHSA-N 451.567 4.436 5 40 JIBB CCOc1c(Cl)cc([C@@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])cc1Cl 408568240 SQCUYMHTAHCKQB-GXKRZCMTSA-N 462.333 4.447 5 40 JIBB Cc1csc(Sc2ccc(C(=O)Nc3nc(CN4CCOCC4)cs3)cc2[N+](=O)[O-])n1 22701411 XGQZWHHEGOQEPR-UHFFFAOYSA-N 477.593 4.052 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@H]1[C@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 49871930 YZFQNJXDLGMXEG-NEWJYFPISA-N 471.513 4.121 5 40 JIBB O=c1/c(=C/c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccccc1)C1=C(N=2)c2ccccc2CC1 166170333 BCJUNQRAKNSGCJ-ZDQFFALBSA-N 465.534 4.227 5 40 JIBB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(OC)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224568803 ANZICKORTSTGMW-JOCHJYFZSA-N 453.539 4.012 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565613 LNKQUYKVXIIMHU-DPQOWFAMSA-N 463.921 4.441 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc([N+](=O)[O-])cc1 408664460 QXUQEJSKSYIULH-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB CC[C@@H](OC(=O)c1ccccc1S(=O)(=O)c1ccc([N+](=O)[O-])cc1)C(=O)c1ccccc1 409171949 FGWBVQFVSKTXIT-HXUWFJFHSA-N 453.472 4.246 5 40 JIBB Cc1c(NC(=O)[C@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 409314293 FQVPMXIDIVESEX-KRWDZBQOSA-N 469.519 4.489 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCC(c2nc3ccccc3[nH]2)CC1 9219625 VKUSUWMLIYQTFR-UHFFFAOYSA-N 469.567 4.030 5 40 JIBB O=C(CSc1nnc(-c2ccccc2Cl)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1 9707918 ZSADEHWOIFJFAJ-UHFFFAOYSA-N 454.899 4.350 5 40 JIBB Cc1c2c(=O)n(-c3ccc([N+](=O)[O-])cc3)n(Cc3ccccc3)c2cc(=O)n1Cc1ccccc1 10493840 FRBHPZWSLGJOAP-UHFFFAOYSA-N 466.497 4.267 5 40 JIBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N1CCN(c2ccccc2)CC1 23200065 DKAAKYJEMGQFKP-UHFFFAOYSA-N 453.571 4.477 5 40 JIBB COc1ccc(C(=O)OCC(=O)c2ccc([N+](=O)[O-])cc2)cc1NC(=O)CSCc1ccco1 215694444 XPMQWQBPIYIOGC-UHFFFAOYSA-N 484.486 4.108 5 40 JIBB Cn1c2c(c(=O)n(C)c1=O)[C@@H](c1c3ccccc3cc3ccccc13)[C@@H]1C(=O)c3ccccc3C1=N2 408733032 DGNPATRZNTUZHU-ZEQRLZLVSA-N 471.516 4.469 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)c1 409158095 KEMBFZMHQFVLOG-MOSHPQCFSA-N 462.487 4.369 5 40 JIBB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1cc([N+](=O)[O-])cc2c1OCOC2 3490065 GPMSZJXZUVFIAC-JOCHJYFZSA-N 462.458 4.066 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(c1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 9720645 UYWOFSNIATWZHJ-MRXNPFEDSA-N 485.518 4.189 5 40 JIBB O=C(CSc1nncn1-c1ccccc1F)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9835785 HLMCWFKVWQVXJN-UHFFFAOYSA-N 456.484 4.169 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2cccnc2)[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 36315248 YEFGLTRQXFZXPC-QTZVNIFKSA-N 486.553 4.117 5 40 JIBB CCOC(=O)c1cn(C2CC2)c2cc(Oc3ccc(NC(C)=O)cc3)c([N+](=O)[O-])cc2c1=O 72434023 ZYVIBRIPPUKDBF-UHFFFAOYSA-N 451.435 4.172 5 40 JIBB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1[N+](=O)[O-] 408640894 KEKYCAZFRKHXQL-LLVKDONJSA-N 452.692 4.311 5 40 JIBB CCOC(=O)c1c(C)oc2ccc(N(C(C)=O)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)cc12 4178660 SOSWZPOCKMFRDD-UHFFFAOYSA-N 480.882 4.221 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10365578 PGRBBFQOFIJHHA-UHFFFAOYSA-N 457.483 4.261 5 40 JIBB CCOc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 224825884 PNLJCUGRGVUBKQ-UHFFFAOYSA-N 483.546 4.375 5 40 JIBB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224947945 RWUBRURXOUSKHS-CQSZACIVSA-N 452.338 4.388 5 40 JIBB O=C(C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccc(Cl)cc21)c1ccccc1[N+](=O)[O-] 8923080 TXXMTKFKJBELPO-DEOSSOPVSA-N 450.878 4.298 5 40 JIBB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)cc1Cl 9059149 IVJCCHDRRFTJAI-UHFFFAOYSA-N 460.947 4.336 5 40 JIBB COc1cc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)cc(OC)c1OC 9089769 DTLPWIFENVLSCK-UHFFFAOYSA-N 489.484 4.392 5 40 JIBB CN(c1cccc(NC(=O)/C(=C/c2cccc([N+](=O)[O-])c2)c2ccccc2)c1)S(C)(=O)=O 9846159 YHCQQDJJZSSAMZ-PXLXIMEGSA-N 451.504 4.170 5 40 JIBB CN(Cc1cc([N+](=O)[O-])ccc1Cl)C(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 32842238 MIIVXCJKPFQFES-UHFFFAOYSA-N 454.914 4.347 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc2ccccc12 103001099 TXELXASYKPXHPL-QCWLDUFUSA-N 480.524 4.301 5 40 JIBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 248255530 SEURAFXKYPYKPI-CXSMSNRLSA-N 471.469 4.499 5 40 JIBB Cc1c(NC(=O)[C@@H](C)N(c2ccc(Oc3ccccc3)cc2)S(C)(=O)=O)cccc1[N+](=O)[O-] 409314297 FQVPMXIDIVESEX-QGZVFWFLSA-N 469.519 4.489 5 40 JIBB CCOc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2c1 918503 WKUJCUSAXGGIDK-UHFFFAOYSA-N 485.562 4.359 5 40 JIBB COC(=O)c1cc(OC(=O)c2cccc([N+](=O)[O-])c2)c2c(c1)Oc1nc3ccccc3nc1O2 984205 AOQCCEMICXTBMC-UHFFFAOYSA-N 459.370 4.442 5 40 JIBB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1C(=O)S/C(=C\c2ccc([N+](=O)[O-])cc2)C1=O 3561531 WTHGTIMHXGQEPR-AQTBWJFISA-N 489.937 4.258 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1cc(-n2c(C)nc3ccccc3c2=O)ccc1Cl 10186571 UGSFMIUWUXWOFS-UHFFFAOYSA-N 484.921 4.365 5 40 JIBB O=C(c1ccc(Oc2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)cc1)N1CCN(Cc2ccccc2)CC1 12376410 IAFRCZQHVUZPBX-UHFFFAOYSA-N 462.462 4.253 5 40 JIBB COc1ccc(Oc2ccc(N3C[C@@H](C(=O)OCC(=O)c4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 13856666 LSOOYYKPJGIZIY-SFHVURJKSA-N 490.468 4.175 5 40 JIBB CCCC(=O)Oc1cn(CCCN2CCOCC2)c2nc(CCC)n3c4ccccc4nc3c12 20403661 TYOTZYIJAUUUEK-UHFFFAOYSA-N 463.582 4.218 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)c1 25560043 GBYKXNJAMLIMQC-FKBYEOEOSA-N 479.876 4.308 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2OC)nnc1-c1cc(Cl)ccc1OC 408637688 MZMZTHSBPDCIAH-UHFFFAOYSA-N 477.930 4.275 5 40 JIBB CN1C(=O)S/C(=C\c2ccc(OCc3cccc([N+](=O)[O-])c3)c(I)c2)C1=O 408819788 TUWDHSWUHYQHIV-SXGWCWSVSA-N 496.282 4.445 5 40 JIBB COc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409371620 IVMHZWSANYVZOG-LQDNNDEMSA-N 460.873 4.134 5 40 JIBB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)s1 1854006 SBKJPVPBIAQBJD-INIZCTEOSA-N 454.851 4.264 5 40 JIBB CCOC(=O)c1cc([C@@H](C)c2ccccc2)sc1NC(=O)Cn1nc(C)c([N+](=O)[O-])c1C 2765005 RNJXLZJDMQDXCZ-ZDUSSCGKSA-N 456.524 4.437 5 40 JIBB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)Cn2nc(C)c([N+](=O)[O-])c2C)cs1 3411154 ITSBQCJZJJCXQG-UHFFFAOYSA-N 497.455 4.311 5 40 JIBB CN1C(=O)[C@@H](NC(=O)Nc2cc(Cl)ccc2[N+](=O)[O-])N=C(c2ccccc2)c2ccccc21 95929355 SQLUAXKRPJLTLZ-OAQYLSRUSA-N 463.881 4.210 5 40 JIBB CCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222987292 HCNTWHJTHYHJMF-HNNXBMFYSA-N 494.411 4.144 5 40 JIBB CC[C@H](NC(=O)CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 223789154 YSCZBPJNRYEIEK-QHCPKHFHSA-N 497.573 4.375 5 40 JIBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NCC(C)C)c1 224424595 BGSVDOJVJKIXFG-SFHVURJKSA-N 473.595 4.026 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(OC)cc(OC)c1 2406566 IIKSHOBEDQYZFG-UHFFFAOYSA-N 473.533 4.036 5 40 JIBB COc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccccc3[N+](=O)[O-])n2)cc1 9095317 HGUDLSFDVVTGMR-UHFFFAOYSA-N 472.523 4.177 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1Oc1nc(-c2cccnc2)nc2ccccc12 9119568 ITOCCAMERFEQAF-UHFFFAOYSA-N 477.502 4.177 5 40 JIBB CC(C)[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9129170 HAHUPXMQEYQREK-DEOSSOPVSA-N 488.500 4.225 5 40 JIBB CCOc1ccc(N2C(=O)N(Cc3cccc([N+](=O)[O-])c3)c3ccccc3S2(=O)=O)cc1 10273000 MUXXJVXFLRKSMP-UHFFFAOYSA-N 453.476 4.329 5 40 JIBB CCCCCNC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 19856842 GBCNHKPSWWUWJL-UHFFFAOYSA-N 483.974 4.067 5 40 JIBB Cn1ccnc1Sc1ccc([C@@H](Nc2ccccn2)n2nnc3ccccc32)cc1[N+](=O)[O-] 59488704 KXYUEFQZVFYHLT-NRFANRHFSA-N 458.507 4.278 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1 113627035 CJHAIWRSYUDBKG-OALUTQOASA-N 451.504 4.090 5 40 JIBB COc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C 408535173 VADXWXBADNORCP-UHFFFAOYSA-N 497.573 4.092 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)o1 409211774 ODXZQTOICMOBRC-GIJQJNRQSA-N 460.464 4.099 5 40 JIBB CCOc1cc(/C=C\c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OCC(=O)Nc1cccc(Cl)c1 409327360 SNRNUXXDXRERDW-VURMDHGXSA-N 486.868 4.036 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Br)cc1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 1506413 AIFWCTYASACFRM-YQORSWRPSA-N 475.298 4.234 5 40 JIBB Cc1cccc(Nc2ccc(S(=O)(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2[N+](=O)[O-])c1 9633010 FQOIIUONKXPQQE-UHFFFAOYSA-N 493.545 4.245 5 40 JIBB COc1ccc([N+](=O)[O-])cc1CSc1nc2nn(-c3ccccc3)c(=O)c-2c2n1CCCCC2 9955784 BDHISEWQJSTJDB-UHFFFAOYSA-N 477.546 4.469 5 40 JIBB COc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc([N+](=O)[O-])cc2)cc(OC)c1OC 10041702 JYHKEFAFVJUYDZ-JOCHJYFZSA-N 451.431 4.402 5 40 JIBB O=C(Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(Cl)s1 10187173 ZYXNJVVUGJXNFP-CQSZACIVSA-N 498.995 4.225 5 40 JIBB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20457085 KFOFHYAGNAFVCG-UHFFFAOYSA-N 466.519 4.074 5 40 JIBB CCCCn1/c(=N/C(=O)c2cc(C)cc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102919327 HLZKRALFOYGATP-QCWLDUFUSA-N 486.572 4.292 5 40 JIBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224192221 MLBJYUDXDPKOMJ-QFIPXVFZSA-N 483.565 4.157 5 40 JIBB CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc5c(C)cc(C)cc5n4c3=O)o2)c([N+](=O)[O-])c1 408720712 CQXDOPAXVWVFJI-MTJSOVHGSA-N 489.509 4.419 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 2476107 BIYHPRMTRFGFEM-UHFFFAOYSA-N 480.527 4.208 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc([N+](=O)[O-])c(C)c4)cc3)CC2)cc1 9427049 RYZCPLKZDVHBCV-UHFFFAOYSA-N 474.517 4.127 5 40 JIBB Cc1c(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 10333253 QZXYTQTXEIBBIJ-UHFFFAOYSA-N 457.483 4.261 5 40 JIBB CC[C@@H](C)N(Cc1nc(-c2ccc(OC)c(OC)c2)no1)C(=O)COc1ccc([N+](=O)[O-])c(C)c1 22257502 SAWRCAMRFFXSGB-MRXNPFEDSA-N 484.509 4.177 5 40 JIBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3F)CC2)cc1)c1cccc([N+](=O)[O-])c1 59559100 BUJDOBRTMHXVOF-UHFFFAOYSA-N 493.564 4.183 5 40 JIBB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224736073 XBHCHFRMXVIVDY-INIZCTEOSA-N 488.382 4.376 5 40 JIBB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225134544 RUAXRPOFXLIRHE-JOCHJYFZSA-N 457.596 4.470 5 40 JIBB COc1ccc(C(=O)[C@H](C)OC(=O)[C@H]2CC(=O)N(c3ccc(-c4ccc([N+](=O)[O-])cc4)cc3)C2)cc1 408645779 IHITVRBMYFJOKL-UWJYYQICSA-N 488.496 4.438 5 40 JIBB COc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)c([N+](=O)[O-])c1 408917763 AWQBOKMHSVEMTM-ZKKFKWFVSA-N 460.873 4.351 5 40 JIBB Cc1ccc(Cn2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc3c(c2)OCCO3)cc1 9542118 DSDFFUYVIREBKQ-UHFFFAOYSA-N 475.508 4.412 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1 12856038 FFLZXHMLXJNROI-UHFFFAOYSA-N 454.870 4.056 5 40 JIBB COc1ccccc1-n1c(SCC(=O)NC(=O)NCc2ccccc2)nc2cc([N+](=O)[O-])ccc21 13095876 RMJZMUMQZFMBGX-UHFFFAOYSA-N 491.529 4.060 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1 14152510 FVNSRZDPGWGBEM-UHFFFAOYSA-N 454.295 4.426 5 40 JIBB COc1ccc(N(CC(=O)Nc2c(F)cccc2F)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 19856360 BUGOXPJUQFWJJS-UHFFFAOYSA-N 491.472 4.024 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CC[C@H](O)[C@H]4CCCC[C@H]43)c([N+](=O)[O-])c2)c(C)c1 1163968588 QULSSANTCPJCHP-NOXFTYBFSA-N 459.568 4.142 5 40 JIBB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2ccc([N+](=O)[O-])cc2)c1 3247159 AYCNGLCILQVRBS-MRXNPFEDSA-N 452.488 4.092 5 40 JIBB COc1cc(OC)c(C2=CCN(C(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)CC2)c(OC)c1 11918526 YUBZJZHVXBWAJW-UHFFFAOYSA-N 467.522 4.150 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Br)cc12 13591193 UOZOMMXDBAROKH-NIJIEXERSA-N 496.317 4.326 5 40 JIBB CCC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc([N+](=O)[O-])c3)o2)cc1 22757975 RWIFVNKALWNLIV-UHFFFAOYSA-N 497.558 4.205 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1O 409343739 FGIYGCSIRMWBMA-MFOYZWKCSA-N 462.867 4.272 5 40 JIBB CC(C)CNC(=O)NC(=O)COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 8801740 QNIJWEMMPDSNEJ-UHFFFAOYSA-N 499.467 4.403 5 40 JIBB COc1ccc(C(=O)N[C@H](c2nnc(SCc3ccc([N+](=O)[O-])cc3)n2C)C(C)C)cc1 9327816 RCBUTAIIVGGQQF-IBGZPJMESA-N 455.540 4.151 5 40 JIBB CC(=O)N1CCN(c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc2[N+](=O)[O-])CC1 12545390 KVEMCGXTBPMUMY-ZDUSSCGKSA-N 465.337 4.061 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1F 13880827 GRSYMUMCFHYGKC-UNOMPAQXSA-N 466.450 4.200 5 40 JIBB CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(N4CCCC4)c([N+](=O)[O-])c3)cc2s1 21595543 BYUCIZGEJPVUDI-UHFFFAOYSA-N 498.590 4.280 5 40 JIBB O=C(CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NCc1ccccc1Cn1cccn1 22699784 GHPMFZABYKVWPY-UHFFFAOYSA-N 450.442 4.267 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C1=O 103769169 DAPJEZMBURUODK-RBBKRZOGSA-N 460.877 4.339 5 40 JIBB Cc1ccc2cc(CN(Cc3ccccc3)S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(=O)[nH]c2c1 891881 SLWAGFHUFQAQIB-UHFFFAOYSA-N 463.515 4.136 5 40 JIBB COc1cc(CC(=O)NCCc2ccc(OCc3ccccc3)cc2)c([N+](=O)[O-])cc1OC 1024131 YHCKQRUIDAPTEG-UHFFFAOYSA-N 450.491 4.092 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@H](C)OC(=O)c1ccc(Nc2ncnc3ccccc23)cc1 9672600 BQIFLXVVLXRNQJ-HNNXBMFYSA-N 487.472 4.474 5 40 JIBB C[C@H]1CCCN(c2ccc(C(=O)Nc3cccc(S(=O)(=O)N4CCCCC4)c3)cc2[N+](=O)[O-])C1 12524894 IBNYGJWTDSNYCR-SFHVURJKSA-N 486.594 4.258 5 40 JIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2ccc(Cl)cc2)CC1 19868448 UWAKDBLQAQOMJP-UHFFFAOYSA-N 472.350 4.082 5 40 JIBB COc1ccc(C(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)cc1[N+](=O)[O-] 26045176 XGIQOZUXOUSSRB-UHFFFAOYSA-N 451.504 4.424 5 40 JIBB O=C(Cn1ccc2cc([N+](=O)[O-])ccc21)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1 62569370 TYCVEVYEXSCICC-LJQANCHMSA-N 474.439 4.048 5 40 JIBB CCn1c(COc2ccccc2OC)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409341042 DFPGSKULTOARIY-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1ccc(Cl)cc1 2459604 ZFTXDARIFDHRMF-UHFFFAOYSA-N 474.951 4.173 5 40 JIBB CCOC(=O)N1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc([N+](=O)[O-])c4)o2)N3)C1 8874870 HMSOSYFPHFRSAZ-LJQANCHMSA-N 468.491 4.285 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14397014 QCWHDVHFKMYBKZ-UHFFFAOYSA-N 476.338 4.095 5 40 JIBB Cc1ccc2nc3c(cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n3CCc3ccccc3)c(=O)n2c1 16742239 KMUYPVOVQFRPDD-HXUWFJFHSA-N 477.568 4.171 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 102770311 TYKZRTWFFHHUAD-QTZVNIFKSA-N 471.538 4.414 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408680802 GTJWKEXARSAFGF-UXHICEINSA-N 453.882 4.147 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cc(Cl)ccc2Cl)C1 409392640 SLOYLFXXEHXJPF-CYBMUJFWSA-N 472.350 4.249 5 40 JIBB Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)Nc1sc2c(c1C(=O)OC(C)C)CCCC2 845116 CCQAGQNBMHRFKK-UHFFFAOYSA-N 485.360 4.006 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccccc1 2091537 GLDJKNDPHNRWJW-RPLLCQBOSA-N 480.524 4.004 5 40 JIBB biogenic CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N2CCc3cc([N+](=O)[O-])ccc32)ccc1Cl 9836426 AHWCUDWEELEZTG-UHFFFAOYSA-N 471.922 4.276 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1ccc(Cl)cc1 101087563 DGLROTUXGCDCAH-FAJYDZGRSA-N 492.963 4.185 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc([N+](=O)[O-])c2)o1 223744201 GGARCWIBSABDJV-VXKWHMMOSA-N 466.519 4.176 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223823859 ZXMSDJFARBKQHD-MRXNPFEDSA-N 489.956 4.112 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1 409027162 BBVTZWJOTAWDFS-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB CCc1ccccc1NC(=O)CSc1n[nH]c([C@@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409156988 VCSKPUMKPBGFDM-FQEVSTJZSA-N 482.566 4.133 5 40 JIBB CCOC(=O)C1=C(Nc2ccc(C)cc2)C[C@@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1cccc([N+](=O)[O-])c1 9185649 CVXWMHDLWIHNJH-WHSBFGAESA-N 482.533 4.250 5 40 JIBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 9590838 FJNPMGVSDDRRJD-IBGZPJMESA-N 474.469 4.475 5 40 JIBB Cc1ccc(N2C(=O)[C@@H]3[C@H]4c5ccccc5C=CN4[C@H](C(=O)c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 16038124 OWGVCJCUKNFNLY-LIONHTAISA-N 479.492 4.302 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@H]1c1cccc([N+](=O)[O-])c1 19820491 UVAXZSREBREIAA-RPWUZVMVSA-N 484.512 4.303 5 40 JIBB CC(C)c1noc(CN2CCN([C@H](C(=O)Nc3ccc(Cl)c([N+](=O)[O-])c3)c3ccccc3)CC2)n1 24830392 SDETXMHDZGOLAC-QFIPXVFZSA-N 498.971 4.252 5 40 JIBB COc1ccc([C@@H]2C3=C(N=c4s/c(=C\c5ccc([N+](=O)[O-])cc5)c(=O)n42)c2ccccc2CC3)cc1 166165630 GJTSNBIBTMWZKG-GTWFGUSFSA-N 495.560 4.236 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 205709486 AIWXNPQQJOOVSA-YBFXNURJSA-N 456.476 4.162 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408640584 JMBGSQYUQRXPNI-JTQLQIEISA-N 468.691 4.011 5 40 JIBB Cc1s/c(=N\C(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)n(C)c1-c1ccc(Br)cc1 409193610 HTWUCPTUSFPQMM-ZZEZOPTASA-N 477.296 4.382 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409355234 CILPGOIEDLNFSW-NDENLUEZSA-N 478.442 4.213 5 40 JIBB O=C(N[C@H](OC[C@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2129600 CYCWZGBHULTEAA-QGPMSJSTSA-N 464.777 4.302 5 40 JIBB biogenic C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1cccc([N+](=O)[O-])c1 3335495 PPRUAVOXUHOTDJ-HHNLSAEISA-N 483.484 4.426 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSCc3ccc([N+](=O)[O-])cc3)cc2)cc1 408920427 HHSBOUZULLZKPA-UHFFFAOYSA-N 487.559 4.276 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409166643 FPBHWVNGMPWCGQ-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB O=c1c2c3c(sc2n(Cc2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccc(Cl)cc1)CCC3 1311263 SGQKOPQCSBJNNM-UHFFFAOYSA-N 453.907 4.313 5 40 JIBB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c([N+](=O)[O-])c1 6924661 LENGIZQQDRTBKR-UHFFFAOYSA-N 465.285 4.147 5 40 JIBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NC1CCCCC1 9860230 XMDXQCYFTWZOCM-UHFFFAOYSA-N 453.550 4.364 5 40 JIBB C[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1C)C(=O)Nc1ccc([N+](=O)[O-])cc1 12490352 ZHWQTMGNAJJAQY-LLVKDONJSA-N 462.329 4.272 5 40 JIBB O=C(OCc1cc([N+](=O)[O-])cc2c1OCOC2)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13003653 JVGOGTAPCUOXTH-JOCHJYFZSA-N 461.426 4.273 5 40 JIBB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc([N+](=O)[O-])c1 57316412 SNSOBOWPEQNXED-UHFFFAOYSA-N 460.309 4.422 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565051 HMDPRXGQFFJQPI-JKJMAWGESA-N 487.556 4.495 5 40 JIBB Cc1c(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cccc1[N+](=O)[O-] 409316015 XCVKGHSSKGBIFU-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2cccc([N+](=O)[O-])c2)cc1OC 12292214 YWZJLLFRJHOBCG-RUZDIDTESA-N 478.501 4.417 5 40 JIBB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62380482 YCUNPZIYMWKDQQ-HNNXBMFYSA-N 489.454 4.191 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(Cc2ccc(I)cc2)C1=O 215218673 OHIRZYODNMEJFH-CXUHLZMHSA-N 496.282 4.445 5 40 JIBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@@H](C)C(=O)NC(C)(C)C 222677814 KJJMPUSFLFRFFR-SFHVURJKSA-N 457.596 4.468 5 40 JIBB COc1cc2ccccc2cc1C(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1 12775045 MRRHAHRAIFGTHC-UHFFFAOYSA-N 469.500 4.298 5 40 JIBB COc1ccc(C)cc1N(CC(=O)Nc1cc([N+](=O)[O-])ccc1C)S(=O)(=O)c1ccc(C)cc1 14410924 SEDKYIHDZGOLIJ-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB CC1=C(C(=O)NCc2ccccc2)C(c2ccccc2[N+](=O)[O-])C(C(=O)NCc2ccccc2)=C(C)N1 31830022 CFFDFSVZANORFE-UHFFFAOYSA-N 496.567 4.462 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(N(C)C)cc3)[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 229969474 YKPVISPEXRXLGY-XPGKHFPBSA-N 470.529 4.146 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]12 408689804 ZDHRMBZUEHERNG-ZTQAJYAQSA-N 453.882 4.003 5 40 JIBB COc1cc(N2C(=O)c3ccccc3C2=O)c(Cl)cc1C(=O)OCC(=O)c1cccc([N+](=O)[O-])c1 409176533 QIRICMUJEKGNKA-UHFFFAOYSA-N 494.843 4.097 5 40 JIBB CCOC(=O)N1CCN(C(=O)Nc2ccc3nc4c5cccnc5c5ncccc5c4nc3c2)CC1 409331151 CPKFMZKVAJXCRM-UHFFFAOYSA-N 481.516 4.185 5 40 JIBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c1 9064786 ICOFMVLLPHUULA-UHFFFAOYSA-N 455.540 4.060 5 40 JIBB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)CSc2ccc([N+](=O)[O-])cc2)c1 9613479 FNXJQCLOKAWHLN-UHFFFAOYSA-N 473.532 4.135 5 40 JIBB O=C(c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 10646070 LNYPEGPHLONTFU-HXUWFJFHSA-N 466.586 4.313 5 40 JIBB CCOC(=O)[C@H]1C(=O)N(CCc2ccccc2)c2nc3ccccc3n2[C@@H]1c1ccc([N+](=O)[O-])cc1 19820535 UTHDCKOEGKSBNQ-DNQXCXABSA-N 484.512 4.303 5 40 JIBB COc1ccc(Br)cc1C(=O)NC(=S)Nc1nc2ccc([N+](=O)[O-])cc2s1 22578707 IMMHQAMHYUVNQM-UHFFFAOYSA-N 467.326 4.102 5 40 JIBB COc1ccc(C(=O)N2CCN(c3ccc(NC(=O)/C=C/c4cccc([N+](=O)[O-])c4)cc3)CC2)cc1 57317212 QBHBPBFBSJQPCS-LHHJGKSTSA-N 486.528 4.218 5 40 JIBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1cccs1)C1=C(N=2)c2ccccc2CC1 166173477 YMBBEPIFRBPHGQ-XOYGFPHKSA-N 471.563 4.288 5 40 JIBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(F)cc2)cc1 408543329 CVSIXVRNXXHQCW-UHFFFAOYSA-N 487.509 4.275 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408569795 XVPFJEJYAYAGTB-OICBGKIFSA-N 491.519 4.325 5 40 JIBB COc1ccc([N+](=O)[O-])c(NC(=O)COC(=O)CCCC(=O)Nc2ccc(Cl)c(Cl)c2)c1 408663992 IMBRTOGCPGPVTF-UHFFFAOYSA-N 484.292 4.201 5 40 JIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1 9511893 WUMJAYKQMKQXOZ-MRXNPFEDSA-N 480.468 4.340 5 40 JIBB Cc1ccc(NC(=O)CSc2ccc(N3C(=O)[C@@H]4CC=CC[C@H]4C3=O)cc2)cc1[N+](=O)[O-] 13579783 UEHLQUMFSONSCU-RTBURBONSA-N 451.504 4.090 5 40 JIBB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 34888677 YBICALPZNWVIPT-UHFFFAOYSA-N 451.310 4.213 5 40 JIBB CC(=O)N1CCN(C[C@@H]2C=C(C)[C@H](Cc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)C[C@H]2C(C)C)CC1 35442689 DBHIDFGMENWKLA-FIXSFTCYSA-N 481.597 4.206 5 40 JIBB biogenic,in-vitro CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223047131 IJVFFHJYZTZKGA-LJQANCHMSA-N 457.596 4.470 5 40 JIBB COc1ccccc1NC(=O)/C(=C/c1cc(OC)c(OC)cc1[N+](=O)[O-])NC(=O)c1ccccc1 999241 USRYIVQCNBFKOQ-UYRXBGFRSA-N 477.473 4.030 5 40 JIBB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)c([N+](=O)[O-])c1 9142381 HMWIEONIYBOSNE-UHFFFAOYSA-N 458.721 4.455 5 40 JIBB O=C(Nc1ccccc1C(=O)OCCCn1c(=O)[nH]c2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 9463255 VYTADNWGAJGGLZ-UHFFFAOYSA-N 494.891 4.391 5 40 JIBB CN(C)C1(CNC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc([N+](=O)[O-])cc2)CCCCC1 9585502 PJBIBTJGAVYUQX-UHFFFAOYSA-N 461.566 4.371 5 40 JIBB O=c1/c(=C\c2ccc([N+](=O)[O-])cc2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 59596143 BITIPMBWHRFQJY-XXMKCSCWSA-N 483.524 4.366 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2cc(Cl)ccc2OC)o1 408638571 SBTOYNKWEVSFOE-UHFFFAOYSA-N 450.860 4.046 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408684776 OBAVMIOOLOTQNW-UXHICEINSA-N 498.333 4.256 5 40 JIBB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)C2=O)cc1 409358564 LUQNRRCAKRSRLW-UWVJOHFNSA-N 469.475 4.122 5 40 JIBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCC(C)CC4)C3=O)o2)cc1[N+](=O)[O-] 409365865 YXWNASFWDSGUFR-UDWIEESQSA-N 469.519 4.458 5 40 JIBB Cc1c(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3Cl)C2)cccc1[N+](=O)[O-] 409390630 KQFDRMWZNSEJQC-CYBMUJFWSA-N 472.350 4.249 5 40 JIBB COc1cc(-c2nc3oc4ccccc4c(=O)c3c(=O)n2CCc2ccccc2)cc(OC)c1OC 2217427 TZAODHAAAHECQP-UHFFFAOYSA-N 484.508 4.438 5 40 JIBB COc1ccc(CCNc2oc(-c3cccc([N+](=O)[O-])c3)nc2P(=O)(OC)OC)cc1OC 8915385 XWMNROLRMRJSIO-UHFFFAOYSA-N 477.410 4.033 5 40 JIBB CC[C@H](Sc1nnc([C@@H](NC(=O)c2ccccc2)C(C)C)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095878 DMRKLKYSFKJULR-PMACEKPBSA-N 496.593 4.360 5 40 JIBB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)CC1 10010463 CWHQQCOTYYZPQE-SOFGYWHQSA-N 463.321 4.222 5 40 JIBB O=C(Nc1cc([N+](=O)[O-])c(F)cc1F)C1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 12760640 APOSKCMUAOQRHH-UHFFFAOYSA-N 494.303 4.219 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc([N+](=O)[O-])cc3)[C@H]2C(=O)N1c1ccc(Br)cc1 102732481 HVWIMHKWGKNUJZ-HKBOAZHASA-N 494.301 4.408 5 40 JIBB COc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)cc1[N+](=O)[O-] 139149382 PXSHRYKVNXAKKH-SJJVXOANSA-N 495.560 4.236 5 40 JIBB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222414730 KDJGFURQRGULHN-JOCHJYFZSA-N 457.596 4.468 5 40 JIBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 225512653 DOUPAKTUYZAKNA-RPBOFIJWSA-N 498.568 4.392 5 40 JIBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 409176427 MZLMXLPTZFUWLO-XMMPIXPASA-N 477.429 4.389 5 40 JIBB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1cccc([N+](=O)[O-])c1C 8831241 NGJXKWJIISZCBG-UHFFFAOYSA-N 464.482 4.211 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@@H]3C2=O)c1 13811339 XFTLROUOYLTKNN-FKBYEOEOSA-N 497.866 4.447 5 40 JIBB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1OC 14276114 GHGBSGALPCBQJQ-UHFFFAOYSA-N 499.593 4.459 5 40 JIBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cc([N+](=O)[O-])ccc1Cl 16476671 QMNMMJWZDWHNCJ-UHFFFAOYSA-N 464.909 4.463 5 40 JIBB CSCC[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCCOc1c(Cl)cccc1Cl 26914203 NJFBSMXWCYQODS-QGZVFWFLSA-N 487.361 4.375 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565053 HMDPRXGQFFJQPI-OEQAEZTDSA-N 487.556 4.495 5 40 JIBB COc1cc(/C=C/c2nc(O)nc(O)c2[N+](=O)[O-])ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 409313134 HPDCCFUBQHXRBI-DUXPYHPUSA-N 467.478 4.097 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2ccc(I)cc2)o1 9200402 FRQOXSRZZSTCTB-UHFFFAOYSA-N 496.286 4.289 5 40 JIBB O=C(Cn1cnc2cc(N3CCOCC3)c([N+](=O)[O-])cc2c1=O)c1ccc(C2CCCCC2)cc1 9208928 YJJKXJHQOOCACS-UHFFFAOYSA-N 476.533 4.072 5 40 JIBB CCOC(=O)c1ccc(Nc2ncc([N+](=O)[O-])c(Nc3ccc(C(=O)OCC)cc3)n2)cc1 16687879 WQUIVASXZVVBME-UHFFFAOYSA-N 451.439 4.225 5 40 JIBB COc1ccc([C@@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)N(C)S(=O)(=O)c2ccccc2)cc1 19936232 LVAKHPKCSRXNQZ-HSZRJFAPSA-N 483.546 4.302 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@@H](C)NC(=O)c1ccccc1C 34828940 HLVVZPHZYFUMCT-MRXNPFEDSA-N 482.566 4.045 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O)N1CCCC1 106765651 MTMHYDQYMMTKCB-XKZIYDEJSA-N 490.541 4.257 5 40 JIBB COc1ccc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])cc1 229864190 SEURAFXKYPYKPI-OJJQZRKESA-N 471.469 4.499 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)c(C)c2)cc1 408675072 QLBOJXWMBMQQNR-UHFFFAOYSA-N 499.545 4.429 5 40 JIBB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc([N+](=O)[O-])c3)N2C1=O 2702717 TYDKFVHFFZOWOT-UYAOXDASSA-N 451.504 4.377 5 40 JIBB COc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1Oc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 9311739 COLJNLJZNOIVEG-NHDPSOOVSA-N 490.453 4.074 5 40 JIBB O=C(c1ccc(-c2ccccc2[N+](=O)[O-])o1)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 34896251 MIEZYOIKARJFLX-UHFFFAOYSA-N 456.842 4.379 5 40 JIBB O=C1c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2C(=O)N1c1ccc([N+](=O)[O-])cc1 100493533 UDNBQQAGRMODBK-UHFFFAOYSA-N 450.319 4.004 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1-c1cc(Br)ccc1O 409411153 DLYALMXPLLCEPS-UHFFFAOYSA-N 492.355 4.381 5 40 JIBB COc1cc([C@H]2C=C(c3ccccc3F)Nc3nc(C(F)(F)F)nn32)cc([N+](=O)[O-])c1O 3395390 GDMWREDJLGZUBR-CYBMUJFWSA-N 451.336 4.114 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 3530286 YESBRBIYAOMMAE-UHFFFAOYSA-N 476.518 4.285 5 40 JIBB COc1cccc([C@H](CNC(=O)c2ccc(N3CCC(C)CC3)c([N+](=O)[O-])c2)N2CCCC2)c1 13068684 DCOUFTXGUPWESC-VWLOTQADSA-N 466.582 4.407 5 40 JIBB O=C(c1cn(Cc2ccccc2)nc1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 21870046 GWIIXPUQQJMWFM-UHFFFAOYSA-N 467.529 4.469 5 40 JIBB CSc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1C(=O)N1CCCCCC1 26120511 XLGOBYHOAYSPQR-UHFFFAOYSA-N 463.581 4.442 5 40 JIBB C[C@@H](CNC(=O)c1ccc(CN(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1)c1ccccc1 224821890 RJNLZAXPSRPKQL-SFHVURJKSA-N 467.547 4.095 5 40 JIBB Cc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2Cc1ccccc1Cl 2256734 JRATUPFMDFOXLS-KRWDZBQOSA-N 459.937 4.484 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1C1CCCCC1 15955774 SCVTZUZOYRKTOU-RDGATRHJSA-N 458.518 4.094 5 40 JIBB biogenic COc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 15979292 YMDVRCJCPAAZOD-UHFFFAOYSA-N 465.491 4.399 5 40 JIBB CCN(c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)c1ccccc1 19937941 MKIYEIPNPKUPAZ-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB C[C@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21126350 JFDRBOALBGWFOA-HNNXBMFYSA-N 475.436 4.166 5 40 JIBB Cc1ccc(C)c(NC(=O)CSc2nnc([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2C)c1 409133819 QLYXENZEEZLTDL-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB COc1cc(/C=C2/SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409214471 VJXVYOJKVLTWLS-GIJQJNRQSA-N 487.490 4.026 5 40 JIBB Cc1c(C(=O)Nc2c(N)nc(SCc3ccc(Cl)cc3Cl)[nH]c2=O)cccc1[N+](=O)[O-] 10243460 BKILHEFGSCSRLL-UHFFFAOYSA-N 480.333 4.420 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20517506 TYKZRTWFFHHUAD-TUGCOKMYSA-N 471.538 4.414 5 40 JIBB CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2ccccc21 89493537 BJKXNSSTDWPPNW-OALUTQOASA-N 461.971 4.294 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408682929 KJBSTXQQLXPXHD-CCKFTAQKSA-N 455.898 4.227 5 40 JIBB CN(C)C(=O)/C(=C/c1cn(-c2ccccc2)nc1-c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1 1464442 BVZXCSPQDBGABB-ULJHMMPZSA-N 481.512 4.307 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3cccc(OC)c3)C2=O)[C@@H]1CCC 9187833 APQABWGNSBLSMG-BKMJKUGQSA-N 494.548 4.204 5 40 JIBB COc1cc(C(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)c([N+](=O)[O-])cc1OC 12441793 KCANAGFPNATHQX-UHFFFAOYSA-N 465.491 4.482 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 22233762 AKPVDVDOCRBQQN-UHFFFAOYSA-N 487.509 4.026 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)cc1C 35224864 LMHAGRUQFXYHBH-UHFFFAOYSA-N 483.546 4.050 5 40 JIBB Cc1ccc(Cl)cc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57607683 KLPAARSZYQPMFQ-INIZCTEOSA-N 453.930 4.254 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccccc1Cl 102918961 SPGHDVZRBNMKCR-XAYXJRQQSA-N 478.936 4.110 5 40 JIBB C[C@@]1(C(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)C[C@H]2C=C[C@H]1C2 108575385 BPADELUTEODQTG-FMTLSIPGSA-N 459.462 4.438 5 40 JIBB CCOC(=O)C1=C(C)N=C(SC)N[C@H]1c1cc(OC)c(OCc2ccccc2)cc1[N+](=O)[O-] 408729870 DTDWUORFLQAGQU-NRFANRHFSA-N 471.535 4.383 5 40 JIBB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 408737798 OWUXEVGSUPDXCI-QHCPKHFHSA-N 487.468 4.202 5 40 JIBB COc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(C)cc1[N+](=O)[O-] 9507189 VXRHJTSRMOQEDJ-UHFFFAOYSA-N 494.504 4.481 5 40 JIBB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCNCC4)c([N+](=O)[O-])c3)o2)c([N+](=O)[O-])c1 20154375 OEIMKZRMZSAAJE-WEVVVXLNSA-N 477.477 4.133 5 40 JIBB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)CC1 225563662 DLICFCCGTOQCMB-UHFFFAOYSA-N 467.566 4.392 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565727 LYNGNBDBJFUGOW-HFRGRHLUSA-N 463.921 4.441 5 40 JIBB O=C(CN(C(=O)c1ccc(Cl)cc1Cl)N1C(=O)c2ccccc2C1=O)c1cccc([N+](=O)[O-])c1 408653978 QGYFPOQWFPUIBJ-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB Cc1ccc(-n2c(=O)c3ccc4c(=O)n(-c5ccc(C)c(C)c5)c(=O)c5ccc(c2=O)c3c45)cc1C 3142874 BYGHCIRFFWNWAZ-UHFFFAOYSA-N 474.516 4.278 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1cccc(OCc2ccccc2)c1 8832684 HZYYJGWCBDJEOB-UHFFFAOYSA-N 476.558 4.011 5 40 JIBB CCOC(=O)[C@@H]1[C@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12 9045580 IUNUTYSLFQQAGK-VGCGRUFVSA-N 497.507 4.009 5 40 JIBB CC(=O)[C@@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12 9357820 HVBIPJRYXMKNMB-YIPGRGJBSA-N 493.519 4.465 5 40 JIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 14279377 PMOICGHVBAYTHA-UHFFFAOYSA-N 494.935 4.228 5 40 JIBB O=C(c1cccs1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 33370264 WIYGUJNNCFACAI-UQWVPHONSA-N 477.567 4.475 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc2c3c(cccc13)CC2)S(C)(=O)=O 224855316 DBSQJLCYMANKBR-UHFFFAOYSA-N 467.547 4.340 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@H](c1ccc(OCc3ccccc3)cc1)[C@H]1CCCN12 408566013 MQFLUVULGUOSNZ-BGBNXGLDSA-N 455.514 4.320 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]12 408685159 OUUHHVZORSCIKE-XMCHAPAWSA-N 453.882 4.003 5 40 JIBB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C1=O 409098520 ITDFKKJDRPWLMJ-HXJASHHUSA-N 465.487 4.196 5 40 JIBB O=c1c2ccc3c(=O)n(-c4ccc(Cl)cc4)c(=O)c4ccc(c(=O)n1-c1ccc(Cl)cc1)c2c34 3145952 HNJCADJBLNOBJC-UHFFFAOYSA-N 487.298 4.351 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(CCc3ccccc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16007078 ZAJZEBMSWRSZNK-QUMGSSFMSA-N 493.519 4.031 5 40 JIBB COc1cc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)ccc1N1C(=O)c2ccccc2C1=O 22532645 UWBRTVYFFBBZIM-UHFFFAOYSA-N 451.822 4.310 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 138829244 UADLQLJLSPEALZ-USEHDAJUSA-N 486.311 4.266 5 40 JIBB CCCCCOC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc1 408664804 KGPQCTODCWLFKG-UHFFFAOYSA-N 499.520 4.151 5 40 JIBB O=C(c1ccc(Cl)c([N+](=O)[O-])c1)N(Cc1ccc(-c2ccc(F)cc2)o1)[C@@H]1CCS(=O)(=O)C1 9166839 QYIMSLLWJNCPLA-QGZVFWFLSA-N 492.912 4.477 5 40 JIBB COc1cc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3[N+](=O)[O-])o2)cc(OC)c1OC 9767788 CXVTWPAMQSBNSV-UHFFFAOYSA-N 474.495 4.018 5 40 JIBB COc1ccc(-c2cn(-c3ccccc3)nc2C(=O)NCCNc2ccccc2[N+](=O)[O-])cc1OC 10085490 YGSFPTKZZUINKD-UHFFFAOYSA-N 487.516 4.307 5 40 JIBB CN(c1ccccc1)c1nc(N2CCC(C(N)=O)CC2)nc(/C=C/c2ccccc2)c1[N+](=O)[O-] 38488518 NKPGVESNPMFAJZ-OUKQBFOZSA-N 458.522 4.025 5 40 JIBB CC[C@H](C(=O)N[C@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260951487 YGLLIGFXMILIQI-WIYYLYMNSA-N 461.584 4.250 5 40 JIBB Cc1nn(-c2cccc([N+](=O)[O-])c2)c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 408994871 HKTZCPJXBHXYOY-VOTSOKGWSA-N 454.355 4.292 5 40 JIBB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 6600510 AIGNYHZHYMVBDN-UHFFFAOYSA-N 459.480 4.282 5 40 JIBB CC(C)(C)NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 33711139 MYNGACQAFHSOLH-UHFFFAOYSA-N 460.339 4.012 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@H]2C1=O 101235937 DTWVLULITKZTEH-IFMALSPDSA-N 460.877 4.339 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(Oc3ccc([N+](=O)[O-])cn3)cc2)C1=O)Nc1ccccc1 106702742 PYQZKJULAPBQAG-UNOMPAQXSA-N 476.470 4.457 5 40 JIBB Cc1cc(NC(=O)COC(=O)CCCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)cc1Br 138837555 OVXKSXGYXADYHK-UHFFFAOYSA-N 492.326 4.265 5 40 JIBB COc1ccc(Cl)cc1NC(=O)c1ccccc1N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408667490 BBQLKELZBOTEAU-UHFFFAOYSA-N 451.822 4.310 5 40 JIBB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)cc1 409179674 NDDRSWZAVRBMNW-FYJGNVAPSA-N 492.513 4.128 5 40 JIBB COc1ccc(Br)cc1/C=C1/SC(=O)N(CC(=O)c2ccc([N+](=O)[O-])cc2)C1=O 409343724 HYDSHTFBHGBHEH-RQZCQDPDSA-N 477.292 4.285 5 40 JIBB COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 651426 DBOALLXWWPJDLM-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB COc1ccccc1NC(=O)C1=C(C)Nc2nc(-c3ccco3)nn2[C@H]1c1ccccc1[N+](=O)[O-] 12377963 BILMHKGDZUDXDE-NRFANRHFSA-N 472.461 4.383 5 40 JIBB Cc1cc(NC(=O)[C@H](OC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)c2ccccc2)no1 16744151 SWJAMWLBYBGVQK-OAQYLSRUSA-N 450.451 4.028 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(C(=O)c3ccc([N+](=O)[O-])cc3)[C@H](C)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408647480 JIQVJKHTKQPOBM-NQERJWCQSA-N 495.919 4.218 5 40 JIBB O=C(Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1N1CCCC1)c1ccc([N+](=O)[O-])o1 9443564 ATSWOHLETTZZQO-UHFFFAOYSA-N 490.925 4.495 5 40 JIBB COc1ccc([C@H]2NC(=O)c3cnn(-c4ccccc4)c3N2)cc1COc1ccccc1[N+](=O)[O-] 9849974 SGVAKDZNDMBSCG-HSZRJFAPSA-N 471.473 4.222 5 40 JIBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)c1cc([N+](=O)[O-])ccc1Cl 20847231 SROKGCNBDIEHIB-UHFFFAOYSA-N 476.942 4.443 5 40 JIBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccc(F)cc4)CC3)c(O)n2n1 22854907 HEHNYVGTJSWLQT-HXUWFJFHSA-N 482.541 4.018 5 40 JIBB O=C(O[C@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)C1CCN(c2cnccn2)CC1 32788731 PYBGROBOZVDOMY-QFIPXVFZSA-N 495.923 4.178 5 40 JIBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(Cc4ccccc4)c3nc12 101115379 PRLUNYUGPUOBAB-UHFFFAOYSA-N 483.959 4.069 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223095671 SAKZDLYUKWKSPR-IBGZPJMESA-N 457.596 4.470 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)Nc1ccc(N2CCCC2)cc1 224901229 JMQFUJFNWOBQNH-UHFFFAOYSA-N 480.546 4.029 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@H]1c1ccccc1OCc1ccccc1Cl 408572611 RLYFWQJENXDLPS-POIRLRRGSA-N 463.921 4.487 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9662891 VBVCLMUNACUDAZ-UHFFFAOYSA-N 487.563 4.095 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1)c1ccccc1[N+](=O)[O-] 9668738 FPFIWKYIKXTRKC-XNTDXEJSSA-N 456.502 4.209 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 12017515 YTBKTEVAVYLOSN-FHWLQOOXSA-N 455.879 4.361 5 40 JIBB CCOc1cc([C@@H]2[C@@H](Oc3cccc([N+](=O)[O-])c3)C(=O)N2C[C@@H]2CCCO2)cc(Cl)c1OC 48287135 JVECPFSADRJXID-UCNVEGJOSA-N 476.913 4.165 5 40 JIBB NC(=O)COc1cccc(-c2c3oc4cc(O)ccc4c3nc3c2c(O)nn3C2CCCC2)c1 95475045 UVKQABRLVCXQGJ-UHFFFAOYSA-N 458.474 4.388 5 40 JIBB O=C1Nc2ccccc2[C@]12[C@H]([N+](=O)[O-])[C@@H](c1ccccc1OCc1ccc(F)cc1)[C@H]1CCCN12 408569395 WMLUTYDPNLNKFG-AWTIUKJOSA-N 473.504 4.459 5 40 JIBB O=C(O)CN1C(=O)S/C(=C/c2c(OCc3ccc([N+](=O)[O-])cc3)ccc3ccccc23)C1=O 409127295 QLZNRFFUHOQSPM-RGVLZGJSSA-N 464.455 4.448 5 40 JIBB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Oc3ncccc3[N+](=O)[O-])c(OC)c2)C1=O 409212494 QNGSTXAGYWZHNM-PDGQHHTCSA-N 487.490 4.170 5 40 JIBB Cc1cc(C)c(OCC(=O)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)c(Br)c1 16267139 MXRUKNLDNONYNP-UHFFFAOYSA-N 482.762 4.355 5 40 JIBB O=C1CN=C(c2ccccc2)c2cc([N+](=O)[O-])ccc2N1CCCCN1CCN(c2ccccc2)CC1 28048481 RDHULIIVVQNNTE-UHFFFAOYSA-N 497.599 4.381 5 40 JIBB CCc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)cnn1-c1ccc([N+](=O)[O-])cc1 32937583 BUEQUYZFEHDCBV-UHFFFAOYSA-N 455.902 4.085 5 40 JIBB CCCCn1/c(=N/C(=O)c2cc3ccccc3o2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100823304 FHUFNKUPYJXKQD-RMLRFSFXSA-N 484.512 4.113 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409199543 OOVPLLBBLPMNNW-FYJGNVAPSA-N 459.458 4.275 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 409202988 VSKGRGWVYHTWEN-FYJGNVAPSA-N 459.458 4.275 5 40 JIBB COc1ccc(OC)c(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)c1 409301050 CJXAJQXNLDNYAJ-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(=O)Nc1cccc([N+](=O)[O-])c1 15882246 WKYSISDSGPJFQM-UHFFFAOYSA-N 464.425 4.035 5 40 JIBB C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546839 JQTZLNSGAZKAIW-CYFREDJKSA-N 464.591 4.334 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccccc3)C2=O)cc1 102756797 NMSXMQASPHSVCT-KMDXXIMOSA-N 473.485 4.435 5 40 JIBB COC(=O)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223736596 ZTBWACHKXKWOCZ-VXKWHMMOSA-N 466.519 4.176 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225423198 DKTUKZKSUDFCII-OALUTQOASA-N 457.596 4.203 5 40 JIBB O=C(O)CCc1ccc(-c2ccc(Br)cc2)n1NC(=O)c1cccc([N+](=O)[O-])c1 408563358 VLILWFPEIZSRDC-UHFFFAOYSA-N 458.268 4.227 5 40 JIBB CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 408622427 PGYOMVIXEIYINR-FGEXJBCWSA-N 472.884 4.388 5 40 JIBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1c3ccccc3cc3ccccc13)[C@H]1C(=O)c3ccccc3C1=N2 408733030 DGNPATRZNTUZHU-DNQXCXABSA-N 471.516 4.469 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NCCc3cn4ccccc4n3)c([N+](=O)[O-])c2)c(C)c1 8724679 ADFNBYVLDCLUDR-UHFFFAOYSA-N 465.535 4.315 5 40 JIBB O=C(COC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1)Nc1ccccc1Sc1ccccc1 9631214 XOMIPYMTSYPUFL-UHFFFAOYSA-N 493.541 4.378 5 40 JIBB O=C(Nc1cc(C(F)(F)F)ccc1F)C12C[C@H]3C[C@H](C1)CC(n1cnc([N+](=O)[O-])n1)(C3)C2 102834013 WROUQNOZGQTYOX-TYGXQLQZSA-N 453.396 4.278 5 40 JIBB O=C(CCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc([N+](=O)[O-])cc1 408666295 YAUIUIORYZWJJB-UHFFFAOYSA-N 463.446 4.288 5 40 JIBB COc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)c([N+](=O)[O-])c1 409178394 HEOHYCHCSHWTIH-UHFFFAOYSA-N 455.250 4.055 5 40 JIBB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccn3Cc3ccccc3[N+](=O)[O-])C2=O)c1 409350831 VYQRJPICYKZOMK-FYJGNVAPSA-N 476.514 4.428 5 40 JIBB C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)Nc1ccc([N+](=O)[O-])cc1 8445725 MALAUNNEZDDMRB-MRXNPFEDSA-N 460.519 4.416 5 40 JIBB CC[C@@H](Sc1nnc([C@H](NC(=O)c2ccccc2)C(C)C)n1C)C(=O)Nc1cccc([N+](=O)[O-])c1 9095877 DMRKLKYSFKJULR-WOJBJXKFSA-N 496.593 4.360 5 40 JIBB CCCCn1c(CNC(=O)c2ccc(OC)cc2)nnc1SCc1ccc([N+](=O)[O-])cc1 9390805 VVEBONNIELLUEY-UHFFFAOYSA-N 455.540 4.217 5 40 JIBB O=[N+]([O-])c1ccc(N2CCN([C@H](c3ccc(F)cc3)c3nnnn3C3CCCCC3)CC2)cc1 13503737 PTRDIZIZLVWTRF-HSZRJFAPSA-N 465.533 4.137 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@H](C(=O)c2ccccn2)[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN21 35851609 FMGTUNYTVQMLOI-KWNHSTDBSA-N 486.553 4.117 5 40 JIBB COc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@@H](C)C3)cc2)c([N+](=O)[O-])c(OC)c1OC 40121398 WPFDMWPKWUQUIY-CALCHBBNSA-N 471.554 4.029 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc([N+](=O)[O-])cc1 138512525 IORQGCVYMIVZKS-UHFFFAOYSA-N 454.266 4.192 5 40 JIBB O=c1/c(=C\c2cccs2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 166177357 HDNIZPLJSLQENT-XOYGFPHKSA-N 471.563 4.288 5 40 JIBB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224531244 RKZDSSMGCDNSCS-JOCHJYFZSA-N 453.539 4.012 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@H](C(=O)c1ccccc1)N1C=Cc3ccccc3[C@@H]21 248123983 TUVIACLWIODXFI-FQUZAXHOSA-N 479.492 4.302 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)c3ccco3)CC2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8902068 LJVCULRFUXGCBJ-UHFFFAOYSA-N 489.532 4.003 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 102772459 NPZOYJXUMHPAFJ-KWNHSTDBSA-N 471.538 4.414 5 40 JIBB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 409163696 WNCPVZSDHCEZOY-HNNXBMFYSA-N 455.540 4.465 5 40 JIBB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 409360431 PLXMKSZFFUSOCR-UHFFFAOYSA-N 488.957 4.080 5 40 JIBB Cc1noc(C)c1COc1ccccc1C(=O)OCc1nnc(-c2cccc([N+](=O)[O-])c2)o1 9128223 ULRZNHGVNUYUFJ-UHFFFAOYSA-N 450.407 4.186 5 40 JIBB CC[C@H](c1nnc(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n1Cc1ccccc1)N(C)C 9661762 HUZOUKIZJMYLHK-LJQANCHMSA-N 498.609 4.295 5 40 JIBB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4ccccc4[N+](=O)[O-])CC3)s2)cc1OC 12563486 CNEMDWHMFSJAPO-UHFFFAOYSA-N 468.535 4.006 5 40 JIBB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424283 DYSRKHMIRMQQBA-UHFFFAOYSA-N 457.439 4.395 5 40 JIBB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc([N+](=O)[O-])cc1)N(CCCn1ccnc1)C3=O 21151030 YERQLSXYVKXLIU-QFIPXVFZSA-N 458.474 4.150 5 40 JIBB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@H]2C=Cc3c(ccc4ccccc34)N12 100798121 IUNUTYSLFQQAGK-DFXJHMEVSA-N 497.507 4.009 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224754395 KMFRTQVUBKBLCG-IBGZPJMESA-N 483.565 4.157 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@]12C(=O)Nc1ccccc12 408565730 LYNGNBDBJFUGOW-RZPHLTDDSA-N 463.921 4.441 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]12 408687717 UUIIJCMMYLZQOT-LXGCGDOSSA-N 453.882 4.003 5 40 JIBB O=C(CSc1nnc(-c2ccccc2O)n1Cc1ccccc1)Nc1cccc([N+](=O)[O-])c1 892329 GEAQEQVGZGNYRL-UHFFFAOYSA-N 461.503 4.338 5 40 JIBB O=c1c2c3nc4ccccc4nc3n(Cc3ccc4c(c3)OCO4)c2ncn1CCc1ccccc1 2252290 IORUQRCUFBQGSX-UHFFFAOYSA-N 475.508 4.314 5 40 JIBB CCSc1nc2oc3c(Br)cc(Br)cc3c(=O)c2c(=O)n1CC 2322988 DSADPWAFMWGHSD-UHFFFAOYSA-N 460.147 4.160 5 40 JIBB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(N5CCOCC5)c([N+](=O)[O-])c4)cc3n2)cc1Cl 8900227 BGADFRDZSSEGKN-UHFFFAOYSA-N 492.923 4.379 5 40 JIBB Cc1ccc(-c2nc(N3C[C@H](C(=O)OCC(=O)c4ccc([N+](=O)[O-])cc4)CC3=O)sc2C)cc1 9581263 UZNTVUJRTUKVFE-GOSISDBHSA-N 479.514 4.114 5 40 JIBB COc1cc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1NC(=O)C(C)C 14276103 RXYLQBVZSOSGHI-UHFFFAOYSA-N 499.593 4.315 5 40 JIBB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cc([N+](=O)[O-])ccc2Cl)C(=O)N1c1ccc(F)cc1 102762135 IKRQVWJBYZXCQS-PCCBWWKXSA-N 467.840 4.438 5 40 JIBB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@H]2[C@@H]2C=Cc3c(ccc4ccccc34)N21 248098867 IUNUTYSLFQQAGK-CGBRIMPHSA-N 497.507 4.009 5 40 JIBB CC(C)OCCCNC(=O)[C@H](C)Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792300 SHPVBBZRZIRMKU-KRWDZBQOSA-N 457.530 4.291 5 40 JIBB biogenic Cc1cc2nnc(Sc3ccc(S(=O)(=O)N4CCCCC4)cc3[N+](=O)[O-])n2c2ccccc12 9646099 KVMPHVNYVTWOCK-UHFFFAOYSA-N 483.575 4.425 5 40 JIBB O=c1c(N2CCCC2)nc2ccc([N+](=O)[O-])cc2n1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 13018946 LSFYESYOZIXFRY-JOCHJYFZSA-N 486.528 4.012 5 40 JIBB COc1cc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@@H]2[N+](=O)[O-])ccc1O 16039151 DMYBEYYSUCWYDA-WAABAYLZSA-N 487.468 4.205 5 40 JIBB Cc1cccc(C2=N/C(=C/c3ccc(OS(=O)(=O)c4ccccc4[N+](=O)[O-])cc3)C(=O)O2)c1 41082728 JOGTYYBVAJYCDS-XMHGGMMESA-N 464.455 4.015 5 40 JIBB COc1cccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1 101249540 XFTLROUOYLTKNN-VSKRKVRLSA-N 497.866 4.447 5 40 JIBB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 245224961 IYHRRCLCHQPQKB-ZCNNSNEGSA-N 464.632 4.001 5 40 JIBB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 409172105 HLWHZKZKDMJQMB-UHFFFAOYSA-N 469.504 4.455 5 40 JIBB Cc1ccc(C2(c3ccc(C)cc3)NC(=O)N(Cc3cc([N+](=O)[O-])cc4c3OCOC4)C2=O)cc1 2622677 ODTYPAXPXMPMGR-UHFFFAOYSA-N 473.485 4.074 5 40 JIBB COc1ccccc1CNC(=O)COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13 8792370 CJPSCPSLKZVWFH-UHFFFAOYSA-N 463.493 4.296 5 40 JIBB biogenic Cc1ccc(NS(=O)(=O)c2ccc(NCc3ccc(Cn4cncn4)cc3)c([N+](=O)[O-])c2)c(C)c1 9747906 RLOQXNRGKLBNSG-UHFFFAOYSA-N 492.561 4.264 5 40 JIBB O=C1COc2ccc(-c3cs/c(=N\c4ccccc4[N+](=O)[O-])n3CCc3ccccn3)cc2N1 12566076 FMRHZSJDXALHLM-PNHLSOANSA-N 473.514 4.326 5 40 JIBB CSc1ccc(C(=O)Nc2c(C(=O)N3CCOCC3)sc3nc(C)cc(C)c23)cc1[N+](=O)[O-] 24982163 RMLYLPVXQILNIX-UHFFFAOYSA-N 486.575 4.268 5 40 JIBB CC[C@@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 225165464 WDHLZASFUBLSEI-HSZRJFAPSA-N 497.573 4.375 5 40 JIBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 225512729 DOUPAKTUYZAKNA-JWQCQUIFSA-N 498.568 4.392 5 40 JIBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225636395 MYGYLGNVEITQRX-JXFKEZNVSA-N 491.972 4.358 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1Cc1ccc(F)cc1 8739816 DRNIWGMOTRWLPP-BVAGGSTKSA-N 484.487 4.100 5 40 JIBB biogenic CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)c1 32114480 KWFQACZUHZPZOV-UHFFFAOYSA-N 465.329 4.079 5 40 JIBB CCOc1cc(/C=C/c2nc(O)[nH]c(=O)c2[N+](=O)[O-])ccc1OC(=O)c1cccc2ccccc12 33700614 IFDYRNZWJYIFIP-ZRDIBKRKSA-N 473.441 4.325 5 40 JIBB O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCCC2)cc1)N1CCCC1 225536622 MTTVSEJOCGAWFM-UHFFFAOYSA-N 451.523 4.437 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683562 LPTGORBAPDQXLK-PMACEKPBSA-N 453.882 4.147 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 409127031 GMGOHVSDOFUTDJ-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB COc1ccc(CCNC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)cc1 8792204 WUWOTENPHAUUDL-UHFFFAOYSA-N 477.520 4.338 5 40 JIBB biogenic Cc1c(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ncccc2o1 8831798 MFXMNOCTWKFDDF-UHFFFAOYSA-N 459.462 4.195 5 40 JIBB Cc1ccc(S(=O)(=O)N(C(=O)c2ccc([N+](=O)[O-])cc2)c2ccc3oc(=O)sc3c2)c(C)c1 8834318 GPNQGFLWYFCPGX-UHFFFAOYSA-N 484.511 4.415 5 40 JIBB CCn1c(SCC(=O)c2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cccc(NC(C)=O)c1 9191359 NNFIIYBJHSIDSM-UHFFFAOYSA-N 459.915 4.460 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(CCCC(C)C)C2=O)[C@@H]1CCC 9266657 BJPAWWLVUIONIF-OFVILXPXSA-N 472.586 4.427 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cc(Br)cc(Br)c1OC 14272873 JCVYTRPQMJFHKA-UHFFFAOYSA-N 460.078 4.389 5 40 JIBB COc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc([N+](=O)[O-])cc5)nc4nc3C2)c(OC)c1 19816915 PZWPNFZNAMQOPL-OAHLLOKOSA-N 491.529 4.255 5 40 JIBB Cc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3cc(C)ccc3C)cc2)c([N+](=O)[O-])c1 32945536 BHWMFBLSZMJCME-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB O=C(c1ccccn1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CCCN2[C@@]12C(=O)Nc1ccc(F)cc12 35166389 KHGJPCWPNIHJJJ-DUOVIKOCSA-N 472.476 4.037 5 40 JIBB CCCCn1/c(=N\C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101125682 JAAABCQAUWEYSW-FAJYDZGRSA-N 492.963 4.329 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408688886 XATLHNUNSDUVFQ-RBUKOAKNSA-N 453.882 4.147 5 40 JIBB CC(C)CCNC(=O)CSc1nc2ccccc2c2nc(-c3ccc([N+](=O)[O-])cc3)nn12 2968966 WDEIZBSAMMGKRB-UHFFFAOYSA-N 450.524 4.107 5 40 JIBB Cc1ccc(C(=O)N[C@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 4017678 MIBDEOFXNPTGLO-OAHLLOKOSA-N 461.758 4.316 5 40 JIBB COc1ccc([C@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@H]3[C@H]2[N+](=O)[O-])cc1 9313178 SEURAFXKYPYKPI-LIONHTAISA-N 471.469 4.499 5 40 JIBB CC(C)(C)CNc1cc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)ccc1[N+](=O)[O-] 9971774 AJWJJHGQCFBMHU-UHFFFAOYSA-N 466.991 4.217 5 40 JIBB CON(C)S(=O)(=O)c1ccc(Cl)c(C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)c1 13016563 PNWGKMMSGTYONQ-UHFFFAOYSA-N 487.917 4.139 5 40 JIBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222636862 GDPVKYVKLVDZSM-ZDUSSCGKSA-N 470.378 4.298 5 40 JIBB CCN(CC)C(=O)c1sc(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c(C(=O)OC)c1C 672742 MXVFSJJHUAROBD-UHFFFAOYSA-N 453.904 4.139 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(OCc2cc([N+](=O)[O-])cc3c2OCOC3)cc1 2630771 JLMNTZHKOOFPOJ-UHFFFAOYSA-N 470.503 4.256 5 40 JIBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NCc2cccs2)c(C)c1 9466670 NFOCFIYSNYYSRO-UHFFFAOYSA-N 491.620 4.065 5 40 JIBB CCCCn1c(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)nc2ccccc2c1=O 9544405 AMJGWOBYTJTPKA-UHFFFAOYSA-N 456.524 4.153 5 40 JIBB Cc1cc(C(=O)COC(=O)c2cc([N+](=O)[O-])ccc2N2CCCCC2)c(C)n1-c1nccs1 13017575 QIRIMDWUXXEUEA-UHFFFAOYSA-N 468.535 4.489 5 40 JIBB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccccc1N1CCN(C(=O)c2ccc(Cl)cc2)CC1 14279160 DVVCEHCEQWSOBH-UHFFFAOYSA-N 494.935 4.228 5 40 JIBB Cc1ccc(-c2ccc(C(=O)N3CCN(c4ccc([N+](=O)[O-])c(N5CCOCC5)c4)CC3)o2)cc1C 33703474 UPJZZLLPRXLCMF-UHFFFAOYSA-N 490.560 4.271 5 40 JIBB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223788267 BKUAOAFYFJUUGW-HXUWFJFHSA-N 491.972 4.359 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])c(Cl)c2NS(=O)(=O)c2ccc(C)cc2)cc1 514282300 IJZIRVQGRLMQPL-UHFFFAOYSA-N 495.966 4.467 5 40 JIBB COc1ccccc1-n1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 3443398 MRWPSWOVEWMZLT-UHFFFAOYSA-N 477.498 4.461 5 40 JIBB Cc1c([C@H](c2cccc([N+](=O)[O-])c2)c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C 4147917 PEOVJICOPOEQEQ-QHCPKHFHSA-N 483.480 4.385 5 40 JIBB CCOC(=O)C1=C(C)[C@@H](c2ccccc2)N2C(=O)[C@@H](Cc3cccc([N+](=O)[O-])c3)SC2=N1 9270462 SIICSWYXUCYSNL-QUCCMNQESA-N 451.504 4.029 5 40 JIBB COc1ccccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9934614 HRBFQLIPLFZNCK-UHFFFAOYSA-N 472.545 4.129 5 40 JIBB O=C(CN1CCC(Nc2ccc(C(=O)c3ccccc3)cc2[N+](=O)[O-])CC1)Nc1ccccc1 12533908 PZIKIKVCRRCKKM-UHFFFAOYSA-N 458.518 4.341 5 40 JIBB CCN(CC)CCn1c(NC(=O)C2CCN(c3ccccc3[N+](=O)[O-])CC2)nc2ccccc21 14651328 VWNAPPXQGJKWKH-UHFFFAOYSA-N 464.570 4.141 5 40 JIBB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2N)c2ccccc2)c([N+](=O)[O-])c1 36800122 CKWGMVQDGXLRBJ-IBGZPJMESA-N 464.507 4.249 5 40 JIBB COc1cc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c([N+](=O)[O-])c(OC)c1OC 12609275 YGBQZRLBVYCPDF-UHFFFAOYSA-N 466.494 4.411 5 40 JIBB COc1ccc(OC)c(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)c1 14412168 CFLOZWAEUHPOOI-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@@]12C(=O)Nc1ccc(F)cc12 43732542 WMBLCVHBWLFNJN-LQNXUBFPSA-N 451.479 4.171 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225550989 VIBGFPREANRVLY-WIYYLYMNSA-N 471.554 4.013 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225580872 JUVKUSHGRYMJOP-WIYYLYMNSA-N 471.554 4.013 5 40 JIBB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 225633546 XRWOUXMRXSVNAJ-CQSZACIVSA-N 452.338 4.386 5 40 JIBB CC(=O)C12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@@H]12 408622434 PGYOMVIXEIYINR-QQNJPBSNSA-N 472.884 4.388 5 40 JIBB CC(C)c1cccc(C(C)C)c1NC(=O)CN1C(=O)N[C@](C)(c2ccc([N+](=O)[O-])cc2)C1=O 9442735 FSSGQGGSGHBSHM-XMMPIXPASA-N 452.511 4.247 5 40 JIBB CC(=O)c1sc(NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)nc1-c1ccccc1 9753856 LAMBWXOYMDTSCD-UHFFFAOYSA-N 452.492 4.010 5 40 JIBB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1C[C@H](O)COc1cccc([N+](=O)[O-])c1 32854222 MHSGAOFYDYTENX-INIZCTEOSA-N 457.895 4.127 5 40 JIBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222607614 CLTYJNZZVSWLLZ-NRFANRHFSA-N 461.559 4.299 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 408622950 QHORCYIPNOFCQT-YQORSWRPSA-N 475.844 4.033 5 40 JIBB CCn1cc(-c2c3c(nc4ncn5nc(-c6ccc([N+](=O)[O-])cc6)nc5c24)CCCC3)c(C)n1 2805469 GPSXHCZZOUCXIN-UHFFFAOYSA-N 454.494 4.318 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc3n4nc(C)nc4c4c5c(sc4n23)CCCC5)cc1 9345122 PORYEDZDNKKDRY-UHFFFAOYSA-N 463.592 4.213 5 40 JIBB CCCCc1nc2cc(NC(=O)CCC(=O)OCC)c(C)nc2n1Cc1ccccc1[N+](=O)[O-] 13509712 TTYHCKCAEUYKLN-UHFFFAOYSA-N 467.526 4.321 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1cccc(Cl)c1 15009231 SXACDJMSFKZLAS-MRXNPFEDSA-N 456.351 4.070 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)[C@@H]1[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16007095 YZFQNJXDLGMXEG-KEZOAJOQSA-N 471.513 4.121 5 40 JIBB Cc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c(Cl)c1 22744779 BSFRFGGWALONRW-UHFFFAOYSA-N 486.903 4.412 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30862802 NHTHGWRVFWWNLF-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57471008 RXRBOMQDQNOSSU-INIZCTEOSA-N 453.930 4.254 5 40 JIBB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 205761878 QQRQYICNQRLQBA-RGVLZGJSSA-N 486.502 4.170 5 40 JIBB O=C(CN(c1ccccc1Cl)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl)NCc1ccccc1 9439670 QJNXNQTZCPKLRE-UHFFFAOYSA-N 494.356 4.413 5 40 JIBB COc1cccc(CNC(=O)COC(=O)c2ccccc2C(=O)c2ccc(SC)c([N+](=O)[O-])c2)c1 9464887 QKJFXEBLXNIWDC-UHFFFAOYSA-N 494.525 4.030 5 40 JIBB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(CC(C)C)o4)CC3)ccc2[N+](=O)[O-])n1 12446083 HFKJSFIRRMPOAA-UHFFFAOYSA-N 451.527 4.151 5 40 JIBB O=[N+]([O-])c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)o1 223322730 GVVBNLUMRDLSCX-ARBPTSGCSA-N 450.520 4.401 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223780865 LEPIWEODRRPCLL-INIZCTEOSA-N 463.987 4.425 5 40 JIBB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCC[C@H]3c3cccnc3)cc2)cc1[N+](=O)[O-] 9391219 WOJHYXTWJUQVFU-QFIPXVFZSA-N 480.546 4.466 5 40 JIBB CCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1 10372866 LODGZOVMJXWDOF-UHFFFAOYSA-N 467.522 4.059 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1cc2ccccc2o1 16525718 NTRHSFVZTFJHEM-UHFFFAOYSA-N 478.452 4.197 5 40 JIBB COC(=O)c1cc(C(=O)OC)cc(-c2ccc(CNCCNc3ccc([N+](=O)[O-])cc3Cl)o2)c1 22108532 UHOGIDQKRDSFHD-UHFFFAOYSA-N 487.896 4.283 5 40 JIBB C[C@H](C(=O)c1ccccc1)N(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408650308 MHKCMOJDOILOSG-CQSZACIVSA-N 477.860 4.173 5 40 JIBB O=C(CSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)Nc1ccc(F)cc1[N+](=O)[O-] 8825856 UPDQULPQTMMPHA-UHFFFAOYSA-N 493.476 4.441 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@H](c3ccc(OC)cc3)[C@@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN23)cc1 34847915 FHSJOLPRYSEWQK-RCTAOEEJSA-N 457.486 4.089 5 40 JIBB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223207302 AFDAYVFVKDNXSN-JKSUJKDBSA-N 476.371 4.232 5 40 JIBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224911601 NARSWFMOLRUEEX-HSZRJFAPSA-N 487.622 4.416 5 40 JIBB Cc1ccc(NC(=O)CCCCCN2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c(Br)c1 1807647 GTDDCPDXFHLRTG-UHFFFAOYSA-N 474.311 4.461 5 40 JIBB COc1cc(C(=O)O[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])cc1OC 3531375 YNOAQFZQVGJHLB-NRFANRHFSA-N 454.410 4.288 5 40 JIBB O=C(NC(=S)Nc1c(F)cc(F)cc1Br)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8833178 RBHPUDICJYQRBY-UHFFFAOYSA-N 485.310 4.363 5 40 JIBB O=[N+]([O-])c1ccccc1Nc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N2CCCCC2)n1 8986190 COSZAYUSOVYCQY-UHFFFAOYSA-N 466.342 4.386 5 40 JIBB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1 22232247 KQRHFMITRQANHX-UHFFFAOYSA-N 489.937 4.232 5 40 JIBB C[C@H]1CC[C@H](C)N1[C@@H]1CCCN(c2ccc(S(=O)(=O)N3CCCCCC3)cc2[N+](=O)[O-])C1 40149312 IYHRRCLCHQPQKB-SLFFLAALSA-N 464.632 4.001 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)CN1[C@@H]2CC[C@@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2 100433808 MGRGFFNQRQXCDH-SFDMKYNQSA-N 495.624 4.105 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247310976 IPWIVXRFWXSEAS-YCAMKHIRSA-N 483.455 4.132 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2ccccc2)cc1 408625836 XFFAZGQSOBHLQR-UHFFFAOYSA-N 483.546 4.132 5 40 JIBB COCCn1c(-c2ccc(Cl)cc2)nc2oc3ccc(Br)cc3c(=O)c2c1=O 2219920 DUYINUVEEJNFFW-UHFFFAOYSA-N 461.699 4.232 5 40 JIBB O=C(COc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)NCCc1cccc(F)c1 8792314 OVCSFGVWFLSZOR-UHFFFAOYSA-N 465.484 4.469 5 40 JIBB biogenic COc1ccc(C(=O)[C@H]2[C@H](c3ccc(N(C)C)cc3)[C@@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN23)cc1 9076030 YKPVISPEXRXLGY-VEYUFSJPSA-N 470.529 4.146 5 40 JIBB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 10120083 UOBXXWSRKQJRSL-UHFFFAOYSA-N 458.474 4.416 5 40 JIBB Cc1ccc(C)n1NC(=O)c1ccc(O[C@@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1 12857610 RQZYWGJKBAEAEH-HNNXBMFYSA-N 456.886 4.456 5 40 JIBB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)OCc2cccc([N+](=O)[O-])c2)c1 13129191 XHXJGCLHLPUKHW-INIZCTEOSA-N 452.488 4.092 5 40 JIBB COC(=O)c1ccc(N2CCOCC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3[N+](=O)[O-])o2)c1 40717868 AYPUDMCYRYGURF-DHZHZOJOSA-N 477.473 4.130 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)S(C)(=O)=O 222990611 MLVCHUTZMURTKS-SFHVURJKSA-N 473.595 4.206 5 40 JIBB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224079025 KFVRXAUEPYYKEW-LJQANCHMSA-N 469.607 4.347 5 40 JIBB Cc1c(NS(=O)(=O)c2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cccc1[N+](=O)[O-] 224482829 DWVXOVBTMQYOHT-UHFFFAOYSA-N 488.334 4.115 5 40 JIBB C[C@@H]1N[C@]2(C(=O)Nc3ccccc32)[C@H]([N+](=O)[O-])[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 408566275 FFMZHAPNBQOOGU-LPVCTFIXSA-N 463.921 4.487 5 40 JIBB O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])cc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652911 IOAHIWWUYKKLRN-TUUBTQOTSA-N 481.291 4.398 5 40 JIBB CC[C@H](C)NC(=O)[C@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 409003474 SGWCABXEJDIKJS-CYFREDJKSA-N 459.546 4.369 5 40 JIBB CCn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(Cl)c([N+](=O)[O-])c1 873160 MZOSVTNTANUWKO-UHFFFAOYSA-N 464.910 4.342 5 40 JIBB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3ccccc3[N+](=O)[O-])scc12 9381587 CAURKLHQNJDCLL-UHFFFAOYSA-N 498.904 4.438 5 40 JIBB CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)c3c4ccccc4cc4ccccc34)CC2)cc1 12799018 GQDOJHVFSRPEGJ-UHFFFAOYSA-N 472.566 4.342 5 40 JIBB C[C@@H]1[C@@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)CCC[C@H]1C 107548851 FTYLCGBRXVSMMJ-GUXCAODWSA-N 466.563 4.327 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1[N+](=O)[O-] 224947983 RWUBRURXOUSKHS-AWEZNQCLSA-N 452.338 4.388 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225551047 VIBGFPREANRVLY-NQIIRXRSSA-N 471.554 4.013 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225636361 MYGYLGNVEITQRX-UZLBHIALSA-N 491.972 4.358 5 40 JIBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C/c1cc(Br)ccc1OCc1ccccc1F 409324332 SBVPIUSCHNWRFZ-FNORWQNLSA-N 462.231 4.447 5 40 JIBB O=C(c1cccc(F)c1)N1CCN(c2cc(N3CCc4ccccc4C3)c(F)cc2[N+](=O)[O-])CC1 12377446 WRFANHGFSHYBAH-UHFFFAOYSA-N 478.499 4.398 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@H](c2cn(-c3ccccc3)nc2-c2cccc([N+](=O)[O-])c2)NC(=S)N1 27061704 OOUQRLJBAVZTMK-QFIPXVFZSA-N 477.546 4.192 5 40 JIBB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222866069 NCHUWOJPLPNMPF-MRXNPFEDSA-N 461.559 4.299 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c1 223509533 ZHNPHUSELYTIMZ-PKTZIBPZSA-N 456.531 4.348 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408684280 NFVXNBSVPMXBCL-VQTJNVASSA-N 453.882 4.147 5 40 JIBB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1 2204163 IGGSTPUDZLJTTJ-LJQANCHMSA-N 481.442 4.123 5 40 JIBB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142920 OXCFVILCJFZSFS-UHFFFAOYSA-N 457.870 4.089 5 40 JIBB CSc1ccc(C(=O)c2ccccc2C(=O)N2CCN(C(=O)c3cccs3)CC2)cc1[N+](=O)[O-] 25611782 WUYFKRAOOIRUQX-UHFFFAOYSA-N 495.582 4.207 5 40 JIBB COc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2cccs2)[C@H](c2cccc([N+](=O)[O-])c2)CN1C 39356291 KWFYSNJTTGOGSJ-XVWGUNQUSA-N 463.515 4.041 5 40 JIBB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cccc([N+](=O)[O-])c3)cc2)S(C)(=O)=O)c1 223921251 ULECUFMRLQNDCN-UHFFFAOYSA-N 453.520 4.430 5 40 JIBB N=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccc(Oc3cccc([N+](=O)[O-])c3)cc2)N1)OCCCO4 602758340 LQOKVBPYDIMRDP-QFIPXVFZSA-N 472.461 4.395 5 40 JIBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 9360829 HTFGQORUFSEBGG-CXSMSNRLSA-N 495.491 4.002 5 40 JIBB COC(=O)c1cc(-c2csc(NC(=O)c3ccc(N4CCC[C@H](C)C4)c([N+](=O)[O-])c3)n2)c[nH]1 29872728 FVHQFXZGCYJCCM-ZDUSSCGKSA-N 469.523 4.322 5 40 JIBB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(Cn2nc(C)c([N+](=O)[O-])c2C)c1 32109688 GLKBBIRRDHUILJ-QHCPKHFHSA-N 461.522 4.190 5 40 JIBB biogenic C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224054646 INGMKEYALOFWGL-MRXNPFEDSA-N 461.559 4.299 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]21 408683513 LMXKMNQTTQUTOG-VOBQZIQPSA-N 453.882 4.003 5 40 JIBB CCc1ccc(NC(=O)CSc2n[nH]c([C@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)cc1 409151877 IKISWZOUNDRVBL-HXUWFJFHSA-N 482.566 4.133 5 40 JIBB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1ccc([N+](=O)[O-])cc1 409176426 MZLMXLPTZFUWLO-DEOSSOPVSA-N 477.429 4.389 5 40 JIBB COc1ccc(C2=NN(C(=O)COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@@H](c3ccco3)C2)cc1 9491154 QOPLCTKDFPJMBJ-HXUWFJFHSA-N 483.864 4.385 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Br)cc12 35808608 UOZOMMXDBAROKH-AYPBNUJASA-N 496.317 4.326 5 40 JIBB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224879655 UKZYXDHAIQERNU-QHCPKHFHSA-N 487.622 4.416 5 40 JIBB O=C1c2cccc([N+](=O)[O-])c2C(=O)N1CN(C(=O)C(F)(F)F)c1ccc(Cl)c(Cl)c1 820904 GHOKWOGITLDKTP-UHFFFAOYSA-N 462.167 4.051 5 40 JIBB CCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3cccc(C)c3oc2c1 9129362 KRELDQODEZNBMH-FQEVSTJZSA-N 495.553 4.321 5 40 JIBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 9540034 KRSGSASDVGYLFH-HSZRJFAPSA-N 458.474 4.440 5 40 JIBB O=[N+]([O-])c1cccc(Nc2nc(OC(C(F)(F)F)C(F)(F)F)nc(N3CCCCC3)n2)c1 9635903 TUVCIJKHEXDIJN-UHFFFAOYSA-N 466.342 4.386 5 40 JIBB COc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc([N+](=O)[O-])c5)nc4nc3C2)cc1OC 19816556 NLSCJSZCRNQJAV-INIZCTEOSA-N 491.529 4.255 5 40 JIBB CNC(=O)NC(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccc([N+](=O)[O-])c1)CCC2 20894290 DFWYJZROCSZXMC-OVGFGYAMSA-N 488.500 4.021 5 40 JIBB CSc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101206393 LJXSTPREHRDJNC-VSKRKVRLSA-N 461.499 4.368 5 40 JIBB CC[C@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260934962 NTLJHEQUGIFUNX-VGOFRKELSA-N 491.610 4.457 5 40 JIBB C[C@H](Sc1nc(O)c2cnn(-c3ccccc3)c2n1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 8723607 ANPZIIWYSJZQIG-NSHDSACASA-N 470.898 4.202 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(O)cc3)[C@H]2C(=O)N1c1ccc(Cl)c([N+](=O)[O-])c1 13648594 VWJBSAVAENSQEW-QHAWAJNXSA-N 465.849 4.005 5 40 JIBB CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccc(Br)cc1 14071298 CDJSCJMCDCMGMA-UHFFFAOYSA-N 462.329 4.367 5 40 JIBB Cn1cnnc1Sc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)OCCO4)cs2)cc1[N+](=O)[O-] 14129070 VXYWSWBNBSASMG-UHFFFAOYSA-N 496.530 4.022 5 40 JIBB Cc1c(-c2ccccc2)sc(NC(=O)COc2ccc([N+](=O)[O-])cc2)c1C(=O)N1CCOCC1 18188076 GCXOFAWAXMLONI-UHFFFAOYSA-N 481.530 4.122 5 40 JIBB CCOc1ccc([C@@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 20460533 ZLGZTTCTSZVQDA-GOSISDBHSA-N 483.546 4.066 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccc(Cl)cc12 20572378 VCOBWSSLVPVZKD-MEKIYTOJSA-N 462.893 4.019 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 35165694 DNHIPCVCHGGQRF-VGSCBBJJSA-N 497.507 4.232 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCN(C)C)o1 223247187 HVQRACKTPYZDPI-XZOQPEGZSA-N 481.578 4.183 5 40 JIBB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225375729 ZYEHJTRWEWPOJN-HSZRJFAPSA-N 497.592 4.281 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408572050 QMYPCZKGSNZDGJ-IUVRIDBFSA-N 491.519 4.372 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1Cl 408590140 JNRRGMQAKPNDBR-UHFFFAOYSA-N 475.910 4.375 5 40 JIBB CCc1cccc(CC)c1NC(=O)COC(=O)[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(C)C 9561702 NWRBQUWRDBYXTL-NRFANRHFSA-N 489.956 4.309 5 40 JIBB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9963095 UTRZJWHMKQMJTC-SJORKVTESA-N 455.511 4.129 5 40 JIBB O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)c1cccc([N+](=O)[O-])c1 12468452 VVDGAXUYJDGICH-UHFFFAOYSA-N 479.337 4.436 5 40 JIBB COCCn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(Br)ccc21 100872529 UQHNRIMXEINCPJ-DYBBPNSKSA-N 462.325 4.161 5 40 JIBB Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1/C=C/c1c([N+](=O)[O-])cc([N+](=O)[O-])cc1[N+](=O)[O-] 408997187 LRBOXVNNSNSLEJ-SNAWJCMRSA-N 499.352 4.201 5 40 JIBB CCOC(=O)c1c(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2CC)sc(C)c1C 6878303 WGQPXVSQYDURMB-UHFFFAOYSA-N 489.579 4.459 5 40 JIBB COC(=O)C1=C(C)N(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccccc2[N+](=O)[O-])S1 9309706 XVEZDNSSHPNJMY-NRFANRHFSA-N 470.532 4.320 5 40 JIBB O=C(CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12)NCc1ccccc1 9860234 YAKWMBHVWXMAGY-UHFFFAOYSA-N 461.529 4.231 5 40 JIBB O=[N+]([O-])c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 12361534 SIZCHKCWLOKWQT-IBGZPJMESA-N 452.319 4.497 5 40 JIBB O=C(CSc1nc(-c2ccccc2)nn1C(=O)c1cccs1)Nc1cccc([N+](=O)[O-])c1 12484759 QAECEPRXHGJWBK-UHFFFAOYSA-N 465.516 4.334 5 40 JIBB COc1ccc(-c2nsc3c(SCC(=O)Nc4cccc([N+](=O)[O-])c4)ncnc23)cc1 13510936 YYLNYLJDKGIYOY-UHFFFAOYSA-N 453.505 4.401 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 16039387 AQFFXOYAXIQCIY-LIONHTAISA-N 479.492 4.302 5 40 JIBB CSc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1C(=O)N1CCCC1 26115559 RYDKSHJMRSECCH-UHFFFAOYSA-N 455.945 4.007 5 40 JIBB O=C1S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 32124576 RJVNXDQNKKARFF-FXBPXSCXSA-N 494.934 4.298 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O)Nc1cc([N+](=O)[O-])ccc1O 34804929 DONTUFCSMFMKKI-CHHVJCJISA-N 468.274 4.282 5 40 JIBB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224277546 ZZMHDCKAOXFQGG-QFIPXVFZSA-N 483.565 4.157 5 40 JIBB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225712023 DZCRCIVTHHVVHQ-MRXNPFEDSA-N 476.371 4.089 5 40 JIBB CC[C@@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225816878 XNGHLLIMAQNMQM-HXUWFJFHSA-N 477.583 4.034 5 40 JIBB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(c1cc([N+](=O)[O-])ccc1O)[C@H]1C(=O)N(c2ccccc2)N=C1C 1505840535 MFTZZQZPWIORHA-ZEQRLZLVSA-N 497.511 4.462 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 2092414 VGNKMJPOAOIXTE-IGKIAQTJSA-N 480.524 4.270 5 40 JIBB biogenic COc1cc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CC2)c(C)cc1[N+](=O)[O-] 9376182 UWPVFMRXCYTTPU-UHFFFAOYSA-N 457.487 4.375 5 40 JIBB O=C(Nc1ccccc1C(=O)OCC(=O)N1CCc2ccccc21)c1ccc([N+](=O)[O-])cc1Cl 9510290 PLDQJPUUTWBZOG-UHFFFAOYSA-N 479.876 4.247 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCC(C(=O)N[C@H](C)c2ccc3ccccc3c2)CC1 12980629 LLDWAQRZYKSILQ-GOSISDBHSA-N 481.574 4.335 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)[C@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)c(Cl)c2)C1 13678799 LBJPGXPGLHXRTB-HNNXBMFYSA-N 486.377 4.391 5 40 JIBB CCCCn1nc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])c2)c1C 14405447 BYQCOPVOMAJDOH-UHFFFAOYSA-N 471.539 4.261 5 40 JIBB C[C@@H](OC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 21126346 JFDRBOALBGWFOA-OAHLLOKOSA-N 475.436 4.166 5 40 JIBB Cc1csc(Sc2ccc(C(=O)N3CCC(C(=O)NCc4cccnc4)CC3)cc2[N+](=O)[O-])n1 30654860 DPNGOYDCLFZAIK-UHFFFAOYSA-N 497.602 4.075 5 40 JIBB COc1ccc(Nc2nc(C)c([N+](=O)[O-])c(Nc3ccc(OC)c([N+](=O)[O-])c3)n2)cc1[N+](=O)[O-] 100561731 MJEMHZFKYYIBOW-UHFFFAOYSA-N 471.386 4.014 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Oc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 103012951 BANHIHOHNZMWBH-LTVCHDBBSA-N 458.536 4.225 5 40 JIBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 225512844 VIMOVMOEDTZDFS-LOSJGSFVSA-N 498.568 4.392 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408703662 VYBBVSKBXPGNIA-UHFFFAOYSA-N 460.339 4.395 5 40 JIBB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COC(=O)c1cccc([N+](=O)[O-])c1 3300467 AQJUBJDSIAHKIB-UHFFFAOYSA-N 454.460 4.296 5 40 JIBB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4cccc([N+](=O)[O-])c4)o3)cc2)CC1 8832490 MUSZZKYCCFYJNM-UHFFFAOYSA-N 462.506 4.412 5 40 JIBB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 9127035 OWZJSVGMNDMSOB-ZDUSSCGKSA-N 452.521 4.418 5 40 JIBB COc1cc(CCNC(=O)CCc2ncc(-c3ccccc3Cl)o2)c([N+](=O)[O-])cc1OC 10364793 BUQCMLBGTXYCRA-UHFFFAOYSA-N 459.886 4.212 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nc2sc3c(c2c(=O)n1C)CCCC3 13388749 NMIQHPACAXVJJH-GFCCVEGCSA-N 458.565 4.210 5 40 JIBB O=C1S/C(=C\c2ccccc2I)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408551963 PXTSJYUAQLUIDJ-DHDCSXOGSA-N 466.256 4.436 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 408687431 UJBBIJUVGCEUSI-IRXDYDNUSA-N 474.300 4.410 5 40 JIBB Cc1cc(C)c2c(n1)sc1c2ncn2nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)nc12 13643731 KJFLIKIJUZWQPZ-INIZCTEOSA-N 478.603 4.072 5 40 JIBB Cc1c(NC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)cccc1[N+](=O)[O-] 13679993 VNMOYCJJUARBNK-HNNXBMFYSA-N 486.377 4.391 5 40 JIBB Cc1csc(Sc2ccc([N+](=O)[O-])cc2C(=O)OCC(=O)Nc2cccc3nsnc23)n1 19077419 RRMPMDJJOGRJFB-UHFFFAOYSA-N 487.544 4.311 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N1CCOC12CCN(c1ncc(C(F)(F)F)cc1Cl)CC2 20387320 VAVQIURIBVYXJL-UHFFFAOYSA-N 470.835 4.131 5 40 JIBB CC(C)CCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O 40398949 MOYFXWJSXVXSEF-UHFFFAOYSA-N 472.574 4.157 5 40 JIBB COc1cc(OCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)ccc1[N+](=O)[O-] 224727415 PJHNJXFUKVVWNM-LJQANCHMSA-N 483.565 4.157 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408688165 VVFQIZNJDDLGOR-KYJSFNMBSA-N 455.898 4.227 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409138627 FQPBHSPOFHXXIU-MRXNPFEDSA-N 482.566 4.045 5 40 JIBB Cc1nn([C@@H](C)c2nnc(Nc3ccn(Cc4c(F)cccc4Cl)n3)s2)cc1[N+](=O)[O-] 2731400 IOZJGYASIOKETR-NSHDSACASA-N 462.898 4.341 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2C=Cc3ccccc3N12 9359561 ZVFYALXCWYEDMJ-YCAMKHIRSA-N 483.455 4.007 5 40 JIBB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1 12651203 BUNJBULTXNXPBH-UHFFFAOYSA-N 486.532 4.288 5 40 JIBB O=C(Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1 12856650 KMHUWGSDMURZPF-UHFFFAOYSA-N 460.446 4.198 5 40 JIBB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c([N+](=O)[O-])c(OC)c1OC 12982234 USLVGANBWOMMPH-CYBMUJFWSA-N 457.508 4.250 5 40 JIBB COc1ccc(C(=O)[C@H]2[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 16037198 HTFGQORUFSEBGG-ZYQDXHPFSA-N 495.491 4.002 5 40 JIBB CCN(CC)CCOc1ccc(CNC(=O)[C@@H](C)Sc2ccc([N+](=O)[O-])cc2)cc1OC 40151667 JPNZJBJFMLIOQP-QGZVFWFLSA-N 461.584 4.121 5 40 JIBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224697668 CVVQVZVNDJYZJA-FQEVSTJZSA-N 491.972 4.215 5 40 JIBB COc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408565364 JYUOUAHPCDGYBG-FODJJAHYSA-N 493.947 4.450 5 40 JIBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)c([N+](=O)[O-])c3)C2=O)cc1 409096833 KTITWKFRQXLJBN-LICLKQGHSA-N 461.883 4.322 5 40 JIBB COc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1[N+](=O)[O-] 16128692 UEAMUXRJRHXFOZ-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB O=C(Nc1ccc(N2CCN(C(=O)C(F)(F)F)CC2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 21124736 PBXQMFHVAZNSGE-UHFFFAOYSA-N 488.422 4.318 5 40 JIBB COc1ccc(S(=O)(=O)Nc2cccc([N+](=O)[O-])c2C)cc1NC(=O)c1ccc(C)cc1 408555814 GOJPGYKMLPKGME-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB O=[N+]([O-])c1cnn(CCc2nnc(-c3cccc(COc4ccc(Br)cc4)c3)o2)c1 2792661 MTCSCYKLAZVYKK-UHFFFAOYSA-N 470.283 4.426 5 40 JIBB CC1=C(C(=O)Nc2cccc([N+](=O)[O-])c2)[C@H](c2cccc(OCc3ccccc3)c2)NC(=O)N1 9540033 KRSGSASDVGYLFH-QHCPKHFHSA-N 458.474 4.440 5 40 JIBB Cc1ccc(-c2cc(NC(=O)COC(=O)c3ccc(N)c([N+](=O)[O-])c3)n(-c3ccccc3)n2)cc1 13095552 SNQDRNMJVMKWOA-UHFFFAOYSA-N 471.473 4.134 5 40 JIBB CC(C)Oc1ccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 16575617 GWPMDWOUFSIKCX-UHFFFAOYSA-N 496.511 4.238 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccc(C)c(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101107496 NSAHPFCQNAYZPF-JVCXMKTPSA-N 486.572 4.374 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)c2ccccc2C1=O 139146092 RWUXJBDOHNOLOO-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223695653 HRKVLZKXPBOHTG-OAQYLSRUSA-N 471.554 4.014 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408679299 DRSLBRRZRQVDPA-BJZITVGISA-N 455.898 4.227 5 40 JIBB COc1ccc2c(c1)c(=O)oc1cc(OC(=O)[C@@H](NS(=O)(=O)c3ccc(C)cc3)C(C)C)ccc12 2121940 XTBYRSLXIVKFDF-DEOSSOPVSA-N 495.553 4.172 5 40 JIBB biogenic Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cccc1[N+](=O)[O-] 408701284 VMDBBYSLGLBQII-UHFFFAOYSA-N 451.932 4.374 5 40 JIBB COc1cc([N+](=O)[O-])c(Cl)cc1-c1ccc(/C=c2\sc3nc4ccccc4n3c2=O)o1 8853990 YNDVMMZYIYCVKS-UWVJOHFNSA-N 453.863 4.287 5 40 JIBB CCNc1ccc(C(=O)OCC(=O)c2ccc(OC(F)F)cc2OC(F)F)cc1[N+](=O)[O-] 9466336 YVNMHHIBVDGTAM-UHFFFAOYSA-N 460.336 4.269 5 40 JIBB O=C(c1ccc2c(c1)OCO2)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CCCN2[C@@]12C(=O)Nc1ccccc12 13607866 DNHIPCVCHGGQRF-PUWQJRQGSA-N 497.507 4.232 5 40 JIBB Cc1nn(-c2ccccc2)c(OC(=O)c2cccc(F)c2)c1S(=O)(=O)c1ccc([N+](=O)[O-])cc1 16976937 FISBZKWOYIJLEZ-UHFFFAOYSA-N 481.461 4.280 5 40 JIBB Cc1ccc(CN(c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)S(C)(=O)=O)cc1 22231871 JQBTWWMTQAJDRN-UHFFFAOYSA-N 483.546 4.195 5 40 JIBB Cc1ccc(C(=O)N2CCN(Cc3nc4ccccc4n3Cc3ccccc3)CC2)cc1[N+](=O)[O-] 38907834 OIFIJHBHPZTLCL-UHFFFAOYSA-N 469.545 4.259 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3ccc([N+](=O)[O-])cc3)CCC[C@@H]2[C@H]1c1ccc([N+](=O)[O-])cc1 96401698 CAHQPCBBYHCAHB-WDPMDDHKSA-N 478.461 4.491 5 40 JIBB CCc1ccccc1N(CC(=O)Nc1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccc(C)cc1 197463258 BKLVRIKUTAMEKN-UHFFFAOYSA-N 453.520 4.300 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223471540 AYUCFZHWFAJTIH-SFHVURJKSA-N 473.595 4.170 5 40 JIBB Cc1ccc(-n2c(Cc3cccn3C)nnc2SCC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1 17052158 CCDQMQVJQCOPLE-UHFFFAOYSA-N 462.535 4.144 5 40 JIBB COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 18213113 TVXUPODSUZCLEI-FSSWDIPSSA-N 479.876 4.308 5 40 JIBB Cc1c(C(=O)Nc2cc(-c3nc(-c4ccc5c(c4)OCO5)cs3)nn2C)cccc1[N+](=O)[O-] 35683176 HCVAREKYLBYOQY-UHFFFAOYSA-N 463.475 4.408 5 40 JIBB CCCCn1/c(=N\C(=O)c2cc(C)cc(C)c2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101176343 HLZKRALFOYGATP-JVCXMKTPSA-N 486.572 4.292 5 40 JIBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC2CCCC2)c1 224016218 GQYKYAYOMCHTHW-GOSISDBHSA-N 485.606 4.313 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2C)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 409131132 MAFHTFKRWNLQEA-MRXNPFEDSA-N 482.566 4.045 5 40 JIBB O=C(COC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccccc1[N+](=O)[O-] 13097021 PIBPCKZFKSYVCE-LWYUSKRHSA-N 451.317 4.201 5 40 JIBB Cc1ccccc1NS(=O)(=O)c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1 33572570 QAHKLWFSEVPVRP-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB O=C(COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@@H]2C1=O)c1ccc(Br)cc1 101065000 LZWQDJRXGQUVQK-FJAKRLOMSA-N 499.317 4.155 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)cc1Cl)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 138829369 UADLQLJLSPEALZ-QCQDVHPSSA-N 486.311 4.266 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408567307 QWTLBNCNEJIUDV-FESMNKHTSA-N 491.519 4.325 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 409123094 DSEYPPZUBMMMGG-INIZCTEOSA-N 482.566 4.045 5 40 JIBB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O 3636834 ZYAGLFLSYMVYQS-ICSRJNTNSA-N 451.504 4.377 5 40 JIBB O=C(Nc1nccs1)c1ccccc1Sc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-] 9119395 FRXHBAVVWWWZMP-UHFFFAOYSA-N 490.588 4.239 5 40 JIBB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc([N+](=O)[O-])cc2Cl)CC1 20412550 VPIDJQBIFODABT-UHFFFAOYSA-N 465.337 4.459 5 40 JIBB O=C(Cn1c(=O)oc2cc([N+](=O)[O-])ccc21)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 24224639 ZHYJSKXBIWANMY-UHFFFAOYSA-N 471.425 4.077 5 40 JIBB O=c1[nH]c(/C=C\c2cc(Br)ccc2OCc2ccccc2Cl)c([N+](=O)[O-])c(=O)[nH]1 32125467 LKWZFLQEKYHXCO-ALCCZGGFSA-N 478.686 4.137 5 40 JIBB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225536182 DZUXVHBSUOFOGA-MRXNPFEDSA-N 463.987 4.423 5 40 JIBB CC1CCN(C(=O)CN2C(=O)S/C(=C/c3ccc(-c4cccc([N+](=O)[O-])c4)o3)C2=O)CC1 409360569 QHUWYGWDJYGZFP-XDHOZWIPSA-N 455.492 4.150 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O 9260992 NXRFEAGEZRUIRV-VCBXAZPMSA-N 450.856 4.496 5 40 JIBB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1cc([N+](=O)[O-])ccc1N1CCCC1 20153355 CLJHPECGZPEEOD-UHFFFAOYSA-N 466.519 4.074 5 40 JIBB COc1cc(C(=O)Nc2ccc3nc(Cc4ccccc4F)[nH]c3c2)c([N+](=O)[O-])cc1OC 60212160 YFLJKTIVLOECOV-UHFFFAOYSA-N 450.426 4.471 5 40 JIBB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224270305 DHICYUKIKVTFND-FQEVSTJZSA-N 463.987 4.425 5 40 JIBB O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])Nc1cccc(Br)c1 833455 CRPBTCMHFWXSIT-UHFFFAOYSA-N 490.335 4.191 5 40 JIBB COc1cccc(-n2c(S[C@H](C)C(=O)Nc3cccc([N+](=O)[O-])c3)nc3ccccc3c2=O)c1 3477811 QKGHKPFYDUQRCA-OAHLLOKOSA-N 476.514 4.422 5 40 JIBB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 8904082 JDWUAPGXOZWXNK-UHFFFAOYSA-N 453.495 4.173 5 40 JIBB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225551075 VIBGFPREANRVLY-RXVVDRJESA-N 471.554 4.013 5 40 JIBB O=C(CSc1nc2ccccc2c2nc(-c3cccc([N+](=O)[O-])c3)nn12)NCc1ccccc1 2969086 KFIQDWCCIXOMQN-UHFFFAOYSA-N 470.514 4.261 5 40 JIBB O=C(NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14274740 LAAJYUOKCZUTNA-UHFFFAOYSA-N 479.518 4.167 5 40 JIBB O=C(Cc1ccc([N+](=O)[O-])cc1)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 19957230 NMKSGSXTUXWYLY-UHFFFAOYSA-N 452.850 4.432 5 40 JIBB O=C(C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1)Nc1ccccc1 27017104 DRVKBRTUGRJHJF-FQEVSTJZSA-N 464.865 4.245 5 40 JIBB O=C(COC(=O)c1cnn2c(-c3ccccc3)ccnc12)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 32922099 NCOBNNAHWDUMBS-UHFFFAOYSA-N 485.378 4.119 5 40 JIBB Cc1ccc(C(=O)N/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(=O)NC[C@@H]2CCCO2)cc1 33447975 KDHFWWRNZVGBET-GQBVICOWSA-N 475.501 4.229 5 40 JIBB O=C(CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)NCc1ccco1 34903919 UOJWKYMIYHXMDO-UHFFFAOYSA-N 484.317 4.006 5 40 JIBB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224078975 KFVRXAUEPYYKEW-IBGZPJMESA-N 469.607 4.347 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccccc2F)cc1 409261138 AJYMOAKRYRYPTR-UHFFFAOYSA-N 457.483 4.185 5 40 JIBB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccn2Cc2ccccc2[N+](=O)[O-])C1=O 409355469 CCXBLCHEUNHWBF-FYJGNVAPSA-N 476.514 4.428 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1cc([N+](=O)[O-])ccc1Cl)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409367570 ANUPFCFAGZGZGR-YQORSWRPSA-N 475.844 4.033 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc([N+](=O)[O-])cc3)N2C(=O)CN1Cc1cccs1 1876036 BEYDZVTUTKXCEK-URXFXBBRSA-N 472.526 4.023 5 40 JIBB biogenic COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 9198454 PEBYEXBBOXYBBO-UHFFFAOYSA-N 460.446 4.046 5 40 JIBB COc1cc([C@H]2NC(=O)NC(c3ccc([N+](=O)[O-])cc3)=C2c2nc3ccccc3[nH]2)cc(OC)c1O 9402958 OUMQKRNQOIKQQE-JOCHJYFZSA-N 487.472 4.116 5 40 JIBB Cc1nc(NC(=O)COc2ccc([N+](=O)[O-])cc2)sc1-c1nc(-c2ccc(F)cc2)no1 31814777 LUPXEYMZWNJMDR-UHFFFAOYSA-N 455.427 4.233 5 40 JIBB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222803882 HDKJTBLHEGRIMS-JOCHJYFZSA-N 473.595 4.169 5 40 JIBB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224090407 ASDKMASHUINREO-HNNXBMFYSA-N 476.371 4.232 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)N2CCCC2)ccc1N1CCC[C@H]1c1nc2ccccc2s1 9780873 NZYZEOOYBSYGOT-SFHVURJKSA-N 458.565 4.331 5 40 JIBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)c1ccc2c(c1)OCO2 16684648 SCJPURYSUCITFZ-UHFFFAOYSA-N 482.832 4.269 5 40 JIBB COC(=O)c1ccc2c(=O)n(C[C@H]3CCCO3)c(S[C@H](C)c3cccc([N+](=O)[O-])c3)nc2c1 24270213 IPCCXXNMHVZJRG-RDTXWAMCSA-N 469.519 4.124 5 40 JIBB Cc1cc(NC(=S)NC(=O)c2cccc([N+](=O)[O-])c2C)cc(C)c1I 57313503 JUXVFCNTQPBVNW-UHFFFAOYSA-N 469.304 4.251 5 40 JIBB COc1ccc(C(=O)CSc2nc3ccccc3c3nc(=O)c(-c4ccccc4)nn23)c(OC)c1 62620597 WEGPSODEPRFJCV-UHFFFAOYSA-N 484.537 4.297 5 40 JIBB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)N(c2cccc([N+](=O)[O-])c2)S(C)(=O)=O)cc1C(C)C 223360722 RHDVBXFWYOGHCZ-IAGOWNOFSA-N 477.583 4.067 5 40 JIBB COc1ccccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 409182347 KWFWVBHRWJCHIK-VWLOTQADSA-N 462.458 4.490 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 409367749 KJZCQJOFNOGDOG-ZRDDSIGQSA-N 464.399 4.490 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1 9714676 AURKSCUCYWGCQR-UHFFFAOYSA-N 453.524 4.151 5 40 JIBB O=C(COC(=O)[C@H]1CC(=O)N(c2nc(-c3ccc(Cl)cc3)cs2)C1)c1cccc([N+](=O)[O-])c1 13857283 VDRCXTHYVVVVMU-HNNXBMFYSA-N 485.905 4.151 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 14410729 UXGPJMDLAMXRJI-UHFFFAOYSA-N 457.483 4.185 5 40 JIBB Cc1cccc(C(=O)Nc2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)cc2)c1 22567896 HEGNLVYSOUDDPC-UHFFFAOYSA-N 460.490 4.244 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC[C@@H](C)Cn3ccnc3C)c([N+](=O)[O-])c2)c(C)c1 58146755 PHYIVXHXQCQQDH-MRXNPFEDSA-N 457.556 4.266 5 40 JIBB Cc1ccc(S(=O)(=O)c2cc3c(=O)n4cc(C)ccc4nc3n(C3CCCCC3)c2=N)cc1 100826590 UASIRSKRIQLGNJ-UHFFFAOYSA-N 462.575 4.084 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 3418127 MVLNZPOUBYAZJI-UHFFFAOYSA-N 476.518 4.036 5 40 JIBB O=C(NC(=S)Nc1ccccc1Br)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064654 BNGBNBWYOCRWKK-UHFFFAOYSA-N 463.357 4.474 5 40 JIBB COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1OCc1ccccc1 12564015 JPSHLIXBQKKBNL-DEOSSOPVSA-N 488.500 4.449 5 40 JIBB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1CCCn1ccnc1 15671128 PHYOHKSBPPWGHP-HXUWFJFHSA-N 464.865 4.187 5 40 JIBB O=C(c1cccs1)[C@H]1[C@@H](c2cccc([N+](=O)[O-])c2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 36307697 WIYGUJNNCFACAI-LOCCHRAXSA-N 477.567 4.475 5 40 JIBB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NS(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2Cl)n1 48341959 HEPAATTVOCCNKP-HNNXBMFYSA-N 491.957 4.370 5 40 JIBB Cc1cc(=O)oc2cc(Oc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3[N+](=O)[O-])ccc12 89568508 DWAWFNQPVDXRON-UHFFFAOYSA-N 458.492 4.223 5 40 JIBB CC1(C)C[C@@H]2C[C@@](C)(C1)[C@@H]1N2c2ccc([N+](=O)[O-])cc2C[C@@]12C(=O)NC(=O)N(c1ccccc1)C2=O 101400957 AODBAAYJCSXDOF-VKNWCCDQSA-N 488.544 4.194 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c2)C1=O 205783040 DKXGVEBLGVTWBB-GIJQJNRQSA-N 487.446 4.283 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225015502 VEUPEXMJPIEAQF-OALUTQOASA-N 457.596 4.468 5 40 JIBB Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cccc1[N+](=O)[O-] 408700417 FSEFTSKWAPFOBY-UHFFFAOYSA-N 451.932 4.230 5 40 JIBB O=C(OCCc1ccc(CCOC(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccc([N+](=O)[O-])cc1 3844722 DMMNYIDYHLYHGX-UHFFFAOYSA-N 464.430 4.302 5 40 JIBB biogenic O=C(Nc1nnc(-c2cccc(Br)c2)o1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 9223575 TVZZAVPGUDGSOL-UHFFFAOYSA-N 472.299 4.262 5 40 JIBB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1Nc1cccc(S(=O)(=O)N2CCCC2)c1 12557687 HCDHDZJTFNUDLT-UHFFFAOYSA-N 460.390 4.050 5 40 JIBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223242548 ONLFADGGYVPVNG-FGZHOGPDSA-N 451.552 4.174 5 40 JIBB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223516859 CPTDBHOXNQLQCM-LJQANCHMSA-N 457.596 4.204 5 40 JIBB O=C(CN1C(=O)N/C(=C\c2ccc(-c3ccc(Cl)c([N+](=O)[O-])c3)o2)C1=O)Nc1ccccc1F 409215203 YLVGPUPHUDDPIB-YVLHZVERSA-N 484.827 4.179 5 40 JIBB CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2cccc([N+](=O)[O-])c2)C1=O 2093835 PGMOCGZDIZXQEI-WIOPSUGQSA-N 460.534 4.341 5 40 JIBB biogenic Cc1cc(SCC(=O)OCC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)cc1Br 3251418 IPNNZNKINZOYJX-UHFFFAOYSA-N 453.314 4.248 5 40 JIBB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccccc3[N+](=O)[O-])N2C1=O 3636836 ZYAGLFLSYMVYQS-QUCCMNQESA-N 451.504 4.377 5 40 JIBB C[C@@H](C(=O)N1CCCC1)N(c1ccc(Cl)cc1)S(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9646905 IFFHXMIAAFLVAU-ZDUSSCGKSA-N 472.350 4.108 5 40 JIBB Cn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccc([N+](=O)[O-])cc1 9720780 WHVSYWAJPGLAFA-UHFFFAOYSA-N 466.292 4.023 5 40 JIBB COc1ccccc1[C@@H](c1nnnn1C1CCCCC1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 13503781 IPJDIMKCKHEWJY-DEOSSOPVSA-N 477.569 4.007 5 40 JIBB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cc([N+](=O)[O-])ccc1Br 16385707 MFSILEFSHOMCCD-UHFFFAOYSA-N 493.122 4.489 5 40 JIBB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1cc([N+](=O)[O-])ccc1N1CCCCC1 20153239 HKANELDOTYLZEA-UHFFFAOYSA-N 480.546 4.464 5 40 JIBB COc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 27515714 LCTNKAUKQKEWAO-DEOSSOPVSA-N 488.500 4.449 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(NC[C@H](C)Cn3ccnc3C)c([N+](=O)[O-])c2)c(C)c1 58146762 PHYIVXHXQCQQDH-INIZCTEOSA-N 457.556 4.266 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1N1CCC[C@H](N2CCCC2)C1 71811108 VRXVCTLIYROBJK-INIZCTEOSA-N 464.975 4.114 5 40 JIBB CCCOc1ccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 102756799 NMSXMQASPHSVCT-TZRRMPRUSA-N 473.485 4.435 5 40 JIBB COc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2ccc([N+](=O)[O-])cc2)cc1 676447 RZMKQAAJAXXKIF-UHFFFAOYSA-N 467.551 4.202 5 40 JIBB CC(C)c1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc([N+](=O)[O-])cc4)C3)n2)cc1 1359965 NNVCWJOUSRXLMS-GOSISDBHSA-N 456.524 4.337 5 40 JIBB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8832400 DPPOYLUYERHUBF-UHFFFAOYSA-N 463.523 4.230 5 40 JIBB CC(C)[C@H](Nc1ccc(S(=O)(=O)N2CCCC2)cc1[N+](=O)[O-])c1ccc2c(c1)OCCCO2 12523199 GGGGEEHPLKIQDE-QHCPKHFHSA-N 475.567 4.350 5 40 JIBB O=C(O)c1cc([N+](=O)[O-])ccc1Sc1nnc(Sc2ccc([N+](=O)[O-])cc2C(=O)O)s1 16385747 VBGLOZACNIAOQT-UHFFFAOYSA-N 480.461 4.053 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1cc(OC)cc(OC)c1 19928867 OIPHJAVGWOVINB-UHFFFAOYSA-N 477.930 4.275 5 40 JIBB Cc1cccn(C(=O)c2ccc(Cl)c([N+](=O)[O-])c2)/c1=N/C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 20427397 CIUABUZSPMFRMS-PTGBLXJZSA-N 475.244 4.349 5 40 JIBB Cc1cccc(OCCCNC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 26279547 XODOCNHRUHUCBN-UHFFFAOYSA-N 466.460 4.223 5 40 JIBB Cc1ccc(Nc2ccc(N3CCN(C(=O)c4ccc([N+](=O)[O-])cc4Cl)CC3)nn2)cc1 90485794 IUQIKNZOWYIZEW-UHFFFAOYSA-N 452.902 4.053 5 40 JIBB aggregator CCOCCn1/c(=N/C(=O)c2ccccc2Br)sc2cc([N+](=O)[O-])ccc21 100873547 FPDAUCZIFWUBEU-ZZEZOPTASA-N 450.314 4.151 5 40 JIBB CCNC(=O)[C@@H](C)N(Cc1ccc(Br)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223036012 WZWZEWPPHFZBQD-OAHLLOKOSA-N 494.411 4.144 5 40 JIBB Cc1c(F)cccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409162068 CJJSFGUIUSCCKT-LJQANCHMSA-N 486.529 4.018 5 40 JIBB COCCN(C)C(=O)CCC(=O)[C@H]1CC(C)(C)[C@@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587863 OFHGHRVLMHKPAH-LEWJYISDSA-N 470.570 4.034 5 40 JIBB CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 9192269 DVVPZHLBJUAPED-UHFFFAOYSA-N 457.962 4.243 5 40 JIBB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224914956 VHWGQWZWPGOITE-AWEZNQCLSA-N 452.338 4.388 5 40 JIBB COc1ccc(C(=O)[C@H](CC(=O)c2ccc([N+](=O)[O-])cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408682537 JOEVHVOETFDUJI-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB COc1cc(C)ccc1OCc1nnc(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)n1C 409357787 KFPKWZZFOKLBIF-UHFFFAOYSA-N 477.930 4.004 5 40 JIBB O=C(N/C(=C\c1c[nH]c2ccccc12)C(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1)c1ccccc1 13579494 QACLRJPMZWOVOE-ITYLOYPMSA-N 495.539 4.196 5 40 JIBB C[C@@]1(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)C[C@H]2C=C[C@H]1C2 108580635 IBSIWRIDXBAKHX-ZSCHSRKISA-N 459.462 4.438 5 40 JIBB CC[C@H](NC(=O)[C@@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 223115412 AXJJCGWVLHGSEG-VGSWGCGISA-N 473.595 4.204 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223472641 HNZHTSAEGOSOCW-DHIUTWEWSA-N 456.531 4.348 5 40 JIBB COc1cc(Br)c([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccccc2)cc1OC 408572161 QRZHNTBFWJCVGB-GOSISDBHSA-N 479.356 4.466 5 40 JIBB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1[N+](=O)[O-] 408648509 YLFHDSMIIFPNBA-NSHDSACASA-N 452.692 4.311 5 40 JIBB O=C(O)[C@@H]1CS[C@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 408987087 AFSVFWWIFKXCDM-XHDPSFHLSA-N 464.506 4.052 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@H](NC(=O)c1ccccc1)C(C)C 409151214 GZHZRISREJMWRM-HXUWFJFHSA-N 482.566 4.064 5 40 JIBB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc([N+](=O)[O-])cc2)n1C[C@H]1CCCO1 898364 DCXQVOGCPZIUCY-VQIMIIECSA-N 467.551 4.460 5 40 JIBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nc3c(c2=O)SCC3)c1 9602781 UFKAZYVDPOYAEZ-UHFFFAOYSA-N 468.560 4.137 5 40 JIBB Cc1cc(C(=O)COc2ccccc2[N+](=O)[O-])c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 9666124 RLZHOZKSECNDFY-UHFFFAOYSA-N 460.490 4.062 5 40 JIBB COc1cc(CN(C)C(=O)c2cc3c(cc2[N+](=O)[O-])OCCO3)ccc1OCc1ccccc1 18134706 ODRVNMPFVZSUFB-UHFFFAOYSA-N 464.474 4.226 5 40 JIBB COc1cc2ccccc2cc1C(=O)NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1 33646813 XBYDPJSSMGAYHD-UHFFFAOYSA-N 484.965 4.247 5 40 JIBB COc1ccc(CCN2C(=O)[C@@H](Oc3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(OC)c2OC)cc1 48288855 VWKISBAGGMTQLY-NOZRDPDXSA-N 478.501 4.194 5 40 JIBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224333081 DTNWIBLXWZVORP-RUZDIDTESA-N 477.536 4.443 5 40 JIBB CCOC(=O)c1cc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)ccc1OC(C)C 225770738 MUUMYBFDSTZJSQ-UHFFFAOYSA-N 456.495 4.246 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409138162 ZFNLCIQYKSYHFJ-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])ccc2Cl)C1=O)Nc1ccc(F)c(F)c1F 409352806 WSIRBLXAJGNNPX-MLPAPPSSSA-N 471.800 4.341 5 40 JIBB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)c([N+](=O)[O-])c1 2247472 HWDSGBIHKVVQTG-UHFFFAOYSA-N 450.886 4.390 5 40 JIBB COc1ccc(-c2nn3c(SCC(=O)Nc4ccc(C)cc4)nc4ccccc4c3nc2=O)cc1 98083755 BNBQTDGMIZZFKX-UHFFFAOYSA-N 483.553 4.353 5 40 JIBB O=C1[C@H]2ON(c3ccc(Cl)cc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 100634063 YTBKTEVAVYLOSN-QYZOEREBSA-N 455.879 4.361 5 40 JIBB CCCn1/c(=N\C(=O)c2cc(Cl)ccc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103360490 NNIWILWWTJETLR-HFTWOUSFSA-N 499.354 4.284 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 139031077 NEUYRGUWXYPJLC-PKOBYXMFSA-N 453.882 4.147 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@H]2C1=O 139056664 JBLBJKBOBKREMK-IYBDPMFKSA-N 474.300 4.410 5 40 JIBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NC(C)(C)C)c1 223027253 LJNTXNQYBWHLJU-QGZVFWFLSA-N 473.595 4.169 5 40 JIBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)c1 408703077 MQMBRTBCLJYJAE-UHFFFAOYSA-N 475.548 4.122 5 40 JIBB Cc1cc2sc(NC(=S)NC(=O)c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)nc2cc1Cl 8835407 MBLYHDVGRQCHLX-UHFFFAOYSA-N 491.982 4.130 5 40 JIBB O=C(CCC(=O)c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)c1 9062390 GTADABSQWLDJOR-UHFFFAOYSA-N 485.456 4.499 5 40 JIBB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 9064648 MYNROZIIGNTJCR-UHFFFAOYSA-N 469.567 4.451 5 40 JIBB Cc1ccc(C(=O)OCCCNC(=O)[C@@H](C)Oc2ccc3c(c2)oc(=O)c2ccccc23)cc1 9410201 NUZJUKXDWJJUDX-GOSISDBHSA-N 459.498 4.385 5 40 JIBB O=C(O)CCC(=O)N1N=C2/C(=C\c3cccc([N+](=O)[O-])c3)CCC[C@@H]2[C@@H]1c1cccc([N+](=O)[O-])c1 33405874 QHJGUECEBZVYJY-IMMUBOMMSA-N 478.461 4.491 5 40 JIBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 224576774 BIGIYZMDBADKDU-AREMUKBSSA-N 489.572 4.312 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]2C1 408684774 OBAVMIOOLOTQNW-PMACEKPBSA-N 498.333 4.256 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 1874266 VDEAFHDCXYFXOS-SQHAQQRYSA-N 498.514 4.143 5 40 JIBB biogenic COc1ccc(-n2c(SCC(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccc(O)cc2)cc1 6157273 IBPCBPYIQGPACI-UHFFFAOYSA-N 477.502 4.288 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(-c2cccc(Cl)c2)o1)[C@H]1CCS(=O)(=O)C1 8769758 KYZQSLKBUJYCKI-IBGZPJMESA-N 474.922 4.338 5 40 JIBB COC(=O)C1=C(C)N(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccccc2[N+](=O)[O-])S1 9309705 XVEZDNSSHPNJMY-OAQYLSRUSA-N 470.532 4.320 5 40 JIBB O=c1[nH]c(CSCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2scc(-c3ccco3)c12 9464281 GEQFFQLUPLIOBB-UHFFFAOYSA-N 457.489 4.453 5 40 JIBB CCN(CC)S(=O)(=O)c1ccc(O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c([N+](=O)[O-])c1 9981160 PBEZUEZVNBOKRR-HNNXBMFYSA-N 459.524 4.065 5 40 JIBB CCn1c(/C(Cl)=C/c2ccc(C)c([N+](=O)[O-])c2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 12629592 RDPAPTOEIJMUQB-PDGQHHTCSA-N 490.969 4.031 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1 107939360 KFTVXLGCQDKINJ-UHFFFAOYSA-N 485.518 4.120 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 409323306 NIOFIYZTNHXARA-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C1=O)c1ccc([N+](=O)[O-])cc1 409341155 DALZLAGEUFECAJ-PXNMLYILSA-N 492.263 4.185 5 40 JIBB CCOC(=O)c1ccc(-n2cnc3c(c2=O)c2nc4ccccc4nc2n3-c2ccc(OC)cc2)cc1 2367162 BGMMJENCGKIMGX-UHFFFAOYSA-N 491.507 4.458 5 40 JIBB O=[N+]([O-])c1ccc(N2CCN(NP(=O)(Oc3ccccc3)Oc3ccccc3)CC2)cc1 8444461 JRAZBNPVKQZBOS-UHFFFAOYSA-N 454.423 4.488 5 40 JIBB O=C(COC(=O)c1ccccc1NC(=O)c1ccc([N+](=O)[O-])cc1Cl)Nc1ccc2c(c1)OCO2 8824731 PISYVJJQDUVXIR-UHFFFAOYSA-N 497.847 4.025 5 40 JIBB O=C(/C=C/c1cc2c(cc1[N+](=O)[O-])OCO2)OCC(=O)N1c2ccccc2OC[C@@H]1c1ccccc1 9244565 VRBLELALRWIYCW-RQWLHQTBSA-N 488.452 4.047 5 40 JIBB O=C(OCc1nnc(-c2ccc([N+](=O)[O-])cc2)o1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 9959800 KOONGDGTTMXDAT-UHFFFAOYSA-N 468.429 4.250 5 40 JIBB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 12874377 JHFKTIKTBACSDX-UHFFFAOYSA-N 450.348 4.377 5 40 JIBB O=C(NC(=S)Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 14269574 FBDVATAOOSWRDW-UHFFFAOYSA-N 463.903 4.274 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 14412018 VBTXYTYGGPNYAZ-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB O=C1c2ccc(Br)cc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccc(F)cc1 20457438 JWYKQIUVXGYXEN-UHFFFAOYSA-N 498.264 4.397 5 40 JIBB O=C(COC(=O)c1ccc([N+](=O)[O-])cc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 32124906 QCRDNUHWHJHCEJ-UHFFFAOYSA-N 493.541 4.261 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1 223472678 HNZHTSAEGOSOCW-PKTZIBPZSA-N 456.531 4.348 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)C1=O)Nc1cccc(F)c1 409241724 UEQYVNTXKGQHAL-XDHOZWIPSA-N 466.450 4.200 5 40 JIBB O=C(OCC(=O)c1ccc([N+](=O)[O-])cc1)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 13119244 BFCXRRSXOTYUIA-STZFKDTASA-N 464.861 4.445 5 40 JIBB aggregator Cc1ccc(NC(=O)C[C@@H]2C(=O)Nc3ccccc3N2C(=O)c2ccc([N+](=O)[O-])cc2)cc1C 26688799 MNHFDVUJOPMTRR-JOCHJYFZSA-N 458.474 4.208 5 40 JIBB Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3cccc([N+](=O)[O-])c3)ccc21 57264327 QIKCLWQVIVGXGA-UHFFFAOYSA-N 484.560 4.099 5 40 JIBB O=c1oc2ccccc2c(O)c1C(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O 100247702 OGZSNWHXIZDTOX-UHFFFAOYSA-N 457.394 4.399 5 40 JIBB biogenic COc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc([N+](=O)[O-])c1O 215065785 QEAYLGMQEFOHLD-OVCLIPMQSA-N 465.281 4.308 5 40 JIBB O=[N+]([O-])c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1 223549675 ZVAXKVUYQXZYGO-GOTSBHOMSA-N 456.531 4.348 5 40 JIBB O=C(O)c1ccc(-c2ccc(NS(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2Br)o1 226353743 BFQPCAXHDDMUMV-UHFFFAOYSA-N 467.253 4.116 5 40 JIBB COc1cc([C@@H]2CN(C)[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(C)cc1 408565023 HGIUPFAJCGLGKP-FBQMUFCQSA-N 473.529 4.105 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)c(Cl)c2)cc1 408584169 MOUUBAPXAIWXEU-UHFFFAOYSA-N 475.910 4.375 5 40 JIBB O=C1N=C(O)[C@@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 8974518 PDOWDAVQWWOSJZ-GCJKJVERSA-N 454.870 4.273 5 40 JIBB O=C(C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)N1CCC[C@H]1c1ccccc1 9894974 CJXXBPSCCWGYRO-FQEVSTJZSA-N 477.970 4.013 5 40 JIBB CN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(Sc3ccc(F)cc3)c([N+](=O)[O-])c2)cc1 13165131 WQYUSEJFRDGPBI-UHFFFAOYSA-N 475.523 4.388 5 40 JIBB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 13563365 NLZTVDTXMOKTRZ-HXUWFJFHSA-N 495.557 4.213 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037611 OVSIARYNMALIOU-KEZOAJOQSA-N 483.455 4.132 5 40 JIBB CCCOc1cccc(C(=O)NC(=S)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 16678268 ZYOJTQKSMDZJNH-UHFFFAOYSA-N 496.511 4.239 5 40 JIBB Cc1cc(C(=O)[C@@H](C)OC(=O)/C=C/c2cc3c(cc2[N+](=O)[O-])OCO3)c(C)n1Cc1ccco1 26570946 DCUPRMHJRAOJNW-FYCOFBDGSA-N 466.446 4.211 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@H]2C(=O)N1c1ccccc1Br 59503335 PMASRYMKSDIVKC-CAZKKTPXSA-N 475.298 4.234 5 40 JIBB Cc1ccc2[nH]c3c(cc(NCCCN4CCN(C)CC4)c4c(=O)c5ccccc5c(=O)c43)oc2c1 101066183 CLRLOBMYPDZRIS-UHFFFAOYSA-N 482.584 4.299 5 40 JIBB CC[C@@H](C(=O)N[C@H](CC)c1ccc(OC)c(C)c1)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260760837 BHEFRWJMKFJUJJ-UXHICEINSA-N 477.583 4.032 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 409128177 DFRFISSCWVXCFU-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1ccc(OC)c(Cl)c1 2231764 IXVUTWMFKDCUPM-UHFFFAOYSA-N 463.925 4.154 5 40 JIBB COc1cc(C(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])cc1OC 3341039 PLTBRICNMWHWSS-VIFPVBQESA-N 476.791 4.468 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)ccc1N1CCCCC1 5085661 SVXKYEHWQZMHLB-UHFFFAOYSA-N 474.539 4.316 5 40 JIBB C[C@@H]1CCCN(S(=O)(=O)c2ccc(Sc3nnc4sc5ccccc5n34)c([N+](=O)[O-])c2)C1 12558028 ZBWDPFZNPDCJKE-CYBMUJFWSA-N 489.604 4.424 5 40 JIBB COc1ccc(Br)cc1C(=O)NC(=S)Nc1ccc([N+](=O)[O-])cc1Br 14275240 GXGHEWWZYGWXIY-UHFFFAOYSA-N 489.145 4.255 5 40 JIBB COc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cc1[N+](=O)[O-] 14291018 KRELFDNRHFIBRE-UHFFFAOYSA-N 484.896 4.065 5 40 JIBB COc1cc(C(=O)NCc2ccc(CN3C[C@@H](C)C[C@H](C)C3)cc2)c([N+](=O)[O-])c(OC)c1OC 40121399 WPFDMWPKWUQUIY-IRXDYDNUSA-N 471.554 4.029 5 40 JIBB O=C(COc1ccc(/C=C/c2nc(O)c([N+](=O)[O-])c(O)n2)cc1)Nc1c(Cl)cccc1Cl 408609186 ZEGQGPZCXZLIAB-RMKNXTFCSA-N 477.260 4.291 5 40 JIBB CCOc1cc(C(=O)Nc2ccc(C)c([N+](=O)[O-])c2)cc(I)c1OC 408620202 KZLLLQQOCBERCH-UHFFFAOYSA-N 456.236 4.167 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(C(=O)Nc2cc([N+](=O)[O-])ccc2OC)c1 3185425 KRURXKWJXCTZEL-UHFFFAOYSA-N 466.406 4.025 5 40 JIBB O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 3214198 JQPCJXXJQUBIBQ-UHFFFAOYSA-N 453.251 4.068 5 40 JIBB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)c([N+](=O)[O-])c3)[C@H]2C(=O)N1c1ccccc1F 9328172 YPBYBVVATNWJDL-NJDAHSKKSA-N 467.840 4.438 5 40 JIBB O=C1N[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)[C@H](C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)N1 12946396 GGFOEEAMEYXTMC-LVCYWYKZSA-N 493.369 4.098 5 40 JIBB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3ccccc3[N+](=O)[O-])c2C(N)=O)C1 14271569 FQMVTGIMUOESCW-NSHDSACASA-N 460.581 4.033 5 40 JIBB O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccccc1 16042100 GLDJKNDPHNRWJW-SHQCIBLASA-N 480.524 4.004 5 40 JIBB biogenic Cc1onc(C(=O)Nc2cc(C)n(Cc3ccc(Cl)cc3Cl)n2)c1Cn1cc([N+](=O)[O-])cn1 22748270 VHUPOBHOLSWPAB-UHFFFAOYSA-N 490.307 4.248 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408680260 FZRBOSGCLVTOFA-NIKGAXFTSA-N 455.898 4.227 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408689688 YVPLQJMKGDSLTM-OALUTQOASA-N 453.882 4.147 5 40 JIBB Cc1c(-c2ccccc2)oc2c(C(=O)N3C[C@@H]4C[C@H](C3)Cn3c4ccc([N+](=O)[O-])c3=O)cccc2c1=O 604405571 QTPDKLPWZMMSKF-MJGOQNOKSA-N 497.507 4.098 5 40 JIBB biogenic CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 9426744 DEIRKRXUQZPHLJ-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB O=c1c2ccccc2c(=O)c2c1c(NCCN1CCC3(CC1)OCCO3)cc1oc3ccccc3[nH]c12 9461088 UPDXQSKPVQPOLX-UHFFFAOYSA-N 497.551 4.192 5 40 JIBB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12 20675668 VPENBNZRDJUFPS-SFTDATJTSA-N 450.495 4.250 5 40 JIBB O=[N+]([O-])c1ccccc1S(=O)(=O)N1CCN(Cc2c(-c3ccccc3)[nH]c3ccccc23)CC1 23424968 GFHYQOKYYMJOFI-UHFFFAOYSA-N 476.558 4.250 5 40 JIBB Cc1ccc(NC(=O)COC(=O)CCC(=O)Nc2cccc(Cl)c2Cl)cc1[N+](=O)[O-] 408661278 FNFDNZSILKOWRR-UHFFFAOYSA-N 454.266 4.111 5 40 JIBB C[C@@H]1CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408685664 PTJHMGOMAJLQSC-ZMYBRWDISA-N 455.898 4.227 5 40 JIBB COc1cc([N+](=O)[O-])cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)c1O 408868184 NXMYRRZUFLNHBG-UUASQNMZSA-N 497.407 4.003 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 409114654 HZSXGQNSPJNVQU-UHFFFAOYSA-N 489.937 4.399 5 40 JIBB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccc(F)c([N+](=O)[O-])c3)c2n1 9124816 WSQIQVNWKOTXEN-UHFFFAOYSA-N 482.251 4.458 5 40 JIBB CCCCCn1c(SCc2cccc([N+](=O)[O-])c2)nc2cc(C(=O)N3CCOCC3)ccc2c1=O 10433593 ZCCDSZOXBZGCRU-UHFFFAOYSA-N 496.589 4.260 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(CC(C)C)/c1=N\C(=O)[C@@H](CC)c1ccccc1 54360522 ITSLDBAKRGZWAU-KGBRYYHFSA-N 486.572 4.103 5 40 JIBB CCc1ccc([C@H](C)NC(=O)CN(c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccccc2)cc1 224839901 CJIVLNQEIJRCGA-SFHVURJKSA-N 467.547 4.230 5 40 JIBB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCC(=O)c2cccc([N+](=O)[O-])c2)ccc1Cl 3248429 JTIABDCMSJITGK-UHFFFAOYSA-N 488.905 4.113 5 40 JIBB CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2ccc(N3CCC[C@H](C)C3)c([N+](=O)[O-])c2)c1 12516167 ZTKNQDIFAKVTAB-KRWDZBQOSA-N 474.583 4.114 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 36006964 ZOCSCFCHXRISLO-CJRSTVEYSA-N 483.455 4.132 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1cccc(C)c1 101176831 ROKBNLOUUOYTQM-JVCXMKTPSA-N 484.556 4.381 5 40 JIBB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 102442313 IQEUXVUXVPCISO-WZGNDQMWSA-N 462.388 4.367 5 40 JIBB CCc1cc(Br)ccc1NC(=O)COC(=O)CCCC(=O)Nc1ccc([N+](=O)[O-])cc1 408664366 QHXKKUIFVSSYGS-UHFFFAOYSA-N 492.326 4.210 5 40 JIBB COc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1Oc1ncccc1[N+](=O)[O-] 409207904 CJODWTLFXBEIKD-ZDLGFXPLSA-N 487.490 4.026 5 40 JIBB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1[N+](=O)[O-] 1311272 DWSQBWLCMXVNBI-UHFFFAOYSA-N 450.520 4.179 5 40 JIBB CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)c3cc4cc([N+](=O)[O-])ccc4s3)cc2)s1 1747985 YSOCAPAPPIQECE-UHFFFAOYSA-N 489.560 4.277 5 40 JIBB CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2Cc1ccc(OC)cc1 2449844 MFYNWIHOFJQYIP-UHFFFAOYSA-N 471.561 4.340 5 40 JIBB O=C1N=C(O)[C@]2(Cc3cc([N+](=O)[O-])ccc3N3CCCC[C@@H]32)C(=O)N1c1cccc(Cl)c1 8974517 PDOWDAVQWWOSJZ-XMSQKQJNSA-N 454.870 4.273 5 40 JIBB CCCOc1ccc(C(=O)N2CCN(c3c([N+](=O)[O-])cc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 9971861 CRBITTXQPVSVRV-UHFFFAOYSA-N 482.415 4.273 5 40 JIBB CCOC(=O)c1oc2ccccc2c1COc1ccc(S(=O)(=O)N(CC)CC)cc1[N+](=O)[O-] 9987686 PZCSEJYKHYCHEH-UHFFFAOYSA-N 476.507 4.127 5 40 JIBB CN(C)CCN(C(=O)c1cc2cc([N+](=O)[O-])ccc2s1)c1nc2cc3c(cc2s1)OCO3 10065955 CDGGDNWLAFABKA-UHFFFAOYSA-N 470.532 4.356 5 40 JIBB CC(C)c1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc([N+](=O)[O-])c4)C3)n2)cc1 13083815 FTPZTAZTNZSJRD-SFHVURJKSA-N 456.524 4.337 5 40 JIBB COc1ccc(NC(=O)CSc2nccc(-c3cccc(OC(F)F)c3)n2)c([N+](=O)[O-])c1 13643371 OPCOMGMMTJWDIW-UHFFFAOYSA-N 462.434 4.393 5 40 JIBB O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1occc1CS(=O)(=O)c1ccccc1 22024060 JQQSDBWIBRIAIG-UHFFFAOYSA-N 497.451 4.022 5 40 JIBB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225615200 YBJBVKJAWAYLOT-AWEZNQCLSA-N 452.338 4.386 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 248112298 NZIIGMMMXFUKHO-ROHNOIKCSA-N 479.492 4.176 5 40 JIBB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C 260914813 BOYFJEGWDHZJCR-MSOLQXFVSA-N 491.610 4.376 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(Cl)cc2)cc1 409026088 FVYOYMIOAXARFK-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB O=C1[C@H]2C3c4ccccc4C(Br)(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1[N+](=O)[O-] 9056356 ZPZKWWDBBHMJLQ-ZRDDSIGQSA-N 475.298 4.498 5 40 JIBB biogenic CC[C@H](C)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1cc(O)c2c(=O)c3ccccc3oc2c1 13576962 ANYNYGYOLBTJJK-UPCLLVRISA-N 495.553 4.259 5 40 JIBB Cc1ccc(Cl)c2sc(N(CCN3CCOCC3)C(=O)c3ccc([N+](=O)[O-])cc3)nc12 22998717 LSBCIPJASUNDTN-UHFFFAOYSA-N 460.943 4.145 5 40 JIBB O=C(CN1C(=O)c2cccc([N+](=O)[O-])c2C1=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409182899 PUBHKQQTVYBVIX-QFIPXVFZSA-N 478.844 4.012 5 40 JIBB CC1(C)C[C@H](C(=O)CCC(=O)NC2CCOCC2)[C@H]1CCc1cnc(-c2cccc([N+](=O)[O-])c2)[nH]1 643587525 FVCMTXDSZJHTSI-FCHUYYIVSA-N 482.581 4.224 5 40 JIBB O=Cc1cc(Br)c(OC(=O)c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2)c(Br)c1 3085264 URHBBBHRFLYRQO-UHFFFAOYSA-N 474.017 4.060 5 40 JIBB O=C(c1ccc(-c2cc3ccccc3oc2=O)cc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9089708 SMARDOWZNGMPTF-UHFFFAOYSA-N 455.470 4.331 5 40 JIBB Cc1nc2c3c4c(sc3n3c(SCC(=O)c5ccccc5)nnc3n2n1)COC(C)(C)C4 9345069 NROHCOPXMMZNPI-UHFFFAOYSA-N 464.576 4.121 5 40 JIBB O=C(NC(=S)NNc1ccc([N+](=O)[O-])cc1)c1ccc(-c2ccc(Br)cc2)o1 14270406 HDYPCZRXCKABMF-UHFFFAOYSA-N 461.297 4.249 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 35808532 ATVUZALRHOXQDW-WSCWJOSJSA-N 496.445 4.384 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 139056761 JBLBJKBOBKREMK-HOTGVXAUSA-N 474.300 4.410 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 408911224 MGBJOTPVKHXKPN-UHFFFAOYSA-N 476.854 4.210 5 40 JIBB CCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@@H]1CC 9433996 BXYJUGBSFJFRSE-GBXCKJPGSA-N 484.940 4.377 5 40 JIBB C[C@H](OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)C(=O)Nc1ccccc1[N+](=O)[O-] 9630447 UMLYLODFQMCMNX-JKGDOXCYSA-N 483.484 4.426 5 40 JIBB Cc1ccc(S(=O)(=O)c2c(C)nn(-c3ccccc3)c2OC(=O)c2ccccc2[N+](=O)[O-])cc1 17051120 YUXOGZOMGGLGHL-UHFFFAOYSA-N 477.498 4.449 5 40 JIBB CC(C)(Oc1ccc(F)cc1)C(=O)Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1 23227589 QMYRQSBBRGKRAL-UHFFFAOYSA-N 458.467 4.363 5 40 JIBB CC1CCN(C(=O)CN2C(=O)S/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cn4)cc3)C2=O)CC1 107621416 DXZWUBJPTDOHPA-UNOMPAQXSA-N 482.518 4.077 5 40 JIBB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)C1=O 205783699 QXGFPMLVDCZDTO-LZYBPNLTSA-N 450.856 4.496 5 40 JIBB COc1cc([C@@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(Cl)cc2)cc(OC)c1OC 408572066 QOBKMMPCPBOUJE-GOSISDBHSA-N 464.931 4.365 5 40 JIBB COc1ccc(/C=C2\N=C(c3cc(I)ccc3Cl)OC2=O)cc1[N+](=O)[O-] 1755168 PDVZLNANCZLNGV-MLPAPPSSSA-N 484.633 4.206 5 40 JIBB Cc1cc(C)n(-c2cc(N3CCN(C(=O)c4ccc(C)c(Cl)c4)CC3)ccc2[N+](=O)[O-])n1 12462284 JHIMYJALUZZPKZ-UHFFFAOYSA-N 453.930 4.322 5 40 JIBB COc1ccccc1N1CCN(c2ccc(-c3nc(-c4ccncc4)no3)cc2[N+](=O)[O-])CC1 15833870 WELVGJGYVLGWNC-UHFFFAOYSA-N 458.478 4.042 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 44885715 CGTSUIBSWBHZAP-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB O=C1S/C(=C/c2cc([N+](=O)[O-])cc(Br)c2O)C(=O)N1Cc1cccc([N+](=O)[O-])c1 408917601 YFKCHYPERKCAPS-MKMNVTDBSA-N 480.252 4.208 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)c2ccc(C)cc2C)cc1 409026219 JFWPOSRIMIJQDU-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB COc1cc(/C=C\c2nc(O)c([N+](=O)[O-])c(O)n2)cc(Br)c1OCc1ccc(F)cc1 409332506 PPUUPBPNLDOOKR-DAXSKMNVSA-N 492.257 4.456 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2Cc2ccccc2)cc1 12585342 YQWUJINORJDFTL-HXUWFJFHSA-N 495.557 4.252 5 40 JIBB Cc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccccc2)cc1C 19856869 AZTWWFOCHONWLU-UHFFFAOYSA-N 453.520 4.354 5 40 JIBB Cc1cc(Br)ccc1SCC(=O)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 25387408 MMPUCURKZKHTFC-UHFFFAOYSA-N 450.358 4.107 5 40 JIBB O=C(COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O)c1ccc(Br)cc1 101064999 LZWQDJRXGQUVQK-MFRYECHYSA-N 499.317 4.155 5 40 JIBB COc1cccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)c1 101094956 TVXUPODSUZCLEI-BDTNDASRSA-N 479.876 4.308 5 40 JIBB Cc1c(Cl)cccc1N1C(=O)[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@@H]2C1=O 103769164 DAPJEZMBURUODK-IRLDBZIGSA-N 460.877 4.339 5 40 JIBB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(C)(=O)=O 222631459 FWTDHXFIATWLJD-UHFFFAOYSA-N 453.520 4.430 5 40 JIBB Cc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@H](C)C(=O)NCC(C)C)cc1 224177476 LHJZBXZPQIQLAR-LJQANCHMSA-N 457.596 4.326 5 40 JIBB COc1ccc(CCn2c(C)cc(C(=O)COC(=O)COc3ccc([N+](=O)[O-])cc3)c2C)cc1OC 9607064 YEDRLVTUQZSQCF-UHFFFAOYSA-N 496.516 4.078 5 40 JIBB COc1cc(/C=C2\N=C(c3ccc([N+](=O)[O-])cc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 13925824 MXOXEWSYYQVSHH-MOSHPQCFSA-N 458.426 4.476 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1[N+](=O)[O-] 14275865 KRGVHEIVSPYBSG-UHFFFAOYSA-N 494.508 4.302 5 40 JIBB O=C(OCc1cc(=O)n2ccsc2n1)c1ccc(Oc2ccc(Cl)cc2[N+](=O)[O-])cc1 20921087 JLFVFPTYCBWGAF-UHFFFAOYSA-N 457.851 4.467 5 40 JIBB Cc1nc(-c2cccc(Oc3ccc(S(=O)(=O)N4CCCCCC4)cc3[N+](=O)[O-])c2)no1 32913359 ASLHOZVZJQHZBN-UHFFFAOYSA-N 458.496 4.310 5 40 JIBB O=C(CSc1nc2c(c(=O)n1-c1ccc([N+](=O)[O-])cc1)SCC2)Nc1nc2ccccc2s1 2720079 TYPBXMUAQQYOOO-UHFFFAOYSA-N 497.583 4.129 5 40 JIBB O=C(CSc1nnc(NC(=O)c2cccc([N+](=O)[O-])c2)s1)Nc1ccccc1C(F)(F)F 9365635 XNSSCWAVUMEHHX-UHFFFAOYSA-N 483.453 4.448 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 223472487 TUTRKXGBQVWSEP-PKTZIBPZSA-N 456.531 4.348 5 40 JIBB COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c([N+](=O)[O-])cc1OC 3531376 YNOAQFZQVGJHLB-OAQYLSRUSA-N 454.410 4.288 5 40 JIBB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccccc3[N+](=O)[O-])N2C1=O 3636837 ZYAGLFLSYMVYQS-AZUAARDMSA-N 451.504 4.377 5 40 JIBB O=C1OC(c2ccc(I)cc2)=N/C1=C\c1ccc([N+](=O)[O-])c(Cl)c1 8817457 ZLHDOVVXTWCKDY-JYRVWZFOSA-N 454.607 4.197 5 40 JIBB O=C(CNC(=O)c1ccc(Br)cc1)O[C@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1 10040042 PTJJHDGIBISIOQ-QFIPXVFZSA-N 497.301 4.255 5 40 JIBB O=C(CCC(=O)c1cccs1)NCCC(=O)OCc1cc(=O)oc2ccc3ccccc3c12 16047217 XXKGATLEKRNGSZ-UHFFFAOYSA-N 463.511 4.220 5 40 JIBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)N2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC1 17822925 WOVAQLYTGXGPRT-LJQANCHMSA-N 450.539 4.322 5 40 JIBB CCN(c1ccc(OCC(=O)Nc2cc([N+](=O)[O-])ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 19938053 UBRVVNLZGPZGCH-UHFFFAOYSA-N 483.546 4.444 5 40 JIBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(C)cc1 22429769 JNKBQJPYUCLEQE-QHCPKHFHSA-N 467.547 4.366 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 138847720 MBVSCECKVPTWJG-USEHDAJUSA-N 486.311 4.266 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@H]12 408688009 VMLZSNSHXCUZKD-LXGCGDOSSA-N 453.882 4.003 5 40 JIBB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(Br)c(O)c([N+](=O)[O-])c3)S2)cc1 408778353 FCWJMQOTXWOMSQ-IDGGIGOKSA-N 450.314 4.225 5 40 JIBB O=C(COC(=O)[C@H](CC(=O)c1ccccc1)Nc1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 9371657 CYVFPADIGSYKHV-NRFANRHFSA-N 450.422 4.214 5 40 JIBB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3F)c2Cl)cc1 9441253 RYESBTPMSHYLED-UHFFFAOYSA-N 460.849 4.044 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 13660012 ABHSKXFQMILWRZ-HJOGWXRNSA-N 473.485 4.435 5 40 JIBB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 20411058 MFBBTRXKYZCAQB-UHFFFAOYSA-N 493.501 4.139 5 40 JIBB O=C1[C@@H]2C(c3ccc([N+](=O)[O-])cc3)=NN(c3ccccc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 103612470 ZCOPCZXUIKICGA-TZIWHRDSSA-N 480.402 4.396 5 40 JIBB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 409059937 SOXYPXBLTUSZEI-UHFFFAOYSA-N 461.931 4.478 5 40 JIBB O=C1N/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1Cc1ccccc1 409201781 XXBQIFOXRKKWSP-XDHOZWIPSA-N 460.402 4.388 5 40 JIBB O=C(CCc1nc2ccccc2n1-c1ccccc1)N1CCN(c2ccc([N+](=O)[O-])cc2)CC1 9562017 XJYVSGUEJUOOJB-UHFFFAOYSA-N 455.518 4.215 5 40 JIBB CSc1ccc(C(=O)c2ccccc2C(=O)OCCn2c(=O)oc3ccccc32)cc1[N+](=O)[O-] 12847713 LUTOKBDSVXDWPG-UHFFFAOYSA-N 478.482 4.313 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-] 16227697 KDIUSEHMXFBDDL-UHFFFAOYSA-N 464.459 4.244 5 40 JIBB CN1C(=O)[C@@H](NC(=O)Nc2ccc(Cl)c([N+](=O)[O-])c2)N=C(c2ccccc2)c2ccccc21 95929322 MSDDGDAEGYSECH-OAQYLSRUSA-N 463.881 4.210 5 40 JIBB COc1cc(/C=C\C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)c([N+](=O)[O-])cc1OC(F)F 96931992 VONFVVRYRLNAOG-GMNBZTITSA-N 476.432 4.353 5 40 JIBB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 106745189 ZDVXAQIGNWUONY-NDENLUEZSA-N 486.502 4.172 5 40 JIBB CCc1nnc2sc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc([N+](=O)[O-])c4C)c3)nn12 108017586 VECYOZNYQOERGU-UHFFFAOYSA-N 481.563 4.067 5 40 JIBB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 408596544 RBDOYPQGSQCEPH-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB CCn1c(S/C(=C\c2cc([N+](=O)[O-])cc([N+](=O)[O-])c2O)C(=O)O)nnc1-c1ccc(Cl)cc1 408634986 WCZSFFGSUMHHSY-NVNXTCNLSA-N 491.869 4.358 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]21 408689799 ZDHRMBZUEHERNG-CFLQYTFWSA-N 453.882 4.003 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c([N+](=O)[O-])c1 9224172 DEPVGSWTWXZEJO-UHFFFAOYSA-N 489.575 4.228 5 40 JIBB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl 9707400 UTMZJZGZDQWERE-UHFFFAOYSA-N 484.921 4.365 5 40 JIBB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccc(F)cc1[N+](=O)[O-])CC2 12978582 ARCNDIYNAUVNHD-RUZDIDTESA-N 465.481 4.337 5 40 JIBB CSc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 57524796 MJZTWPXXECRHNB-INIZCTEOSA-N 451.552 4.014 5 40 JIBB COc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cc([N+](=O)[O-])ccc3Cl)C2=O)c1 102759820 WFWHOMVDKSSNJY-FDFHNCONSA-N 479.876 4.308 5 40 JIBB Cc1ccc(C(=O)Nc2cc3nc(O)[nH]c3cc2N2CCN(c3ccccc3)CC2)cc1[N+](=O)[O-] 408533909 PNHRBCAFOANPFZ-UHFFFAOYSA-N 472.505 4.064 5 40 JIBB CCn1c(S/C(=C\c2cccc([N+](=O)[O-])c2)C(=O)O)nnc1-c1cc(OC)cc(OC)c1 408635138 ZFWQOIJYNVUXLG-NVMNQCDNSA-N 456.480 4.108 5 40 JIBB O=C(CSc1nc2ccc([N+](=O)[O-])cc2s1)N1CCN(c2nc3ccccc3s2)CC1 408991542 YHQDQHMANRXMIK-UHFFFAOYSA-N 471.589 4.255 5 40 JIBB COCCCN(C(=O)c1cccc([N+](=O)[O-])c1)c1nc(-c2cc(OC)ccc2OC)cs1 6904369 YHEHOAONWIGYFD-UHFFFAOYSA-N 457.508 4.419 5 40 JIBB COc1c(C)cccc1C(=O)N1CCN(c2ccc([N+](=O)[O-])c(N3CCc4ccccc4C3)c2)CC1 9934610 YROXCVPIQNTSKJ-UHFFFAOYSA-N 486.572 4.437 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2cc(Cl)c([N+](=O)[O-])cc2C)cc1Br 14271063 DSQWCNCORPFELO-UHFFFAOYSA-N 458.721 4.455 5 40 JIBB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3cccc([N+](=O)[O-])c3)cc2Cl)CC1 14273469 ROYBYKITMVKHHQ-JXMROGBWSA-N 456.930 4.349 5 40 JIBB CN(CCOc1ccccc1)C(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1 18072819 MHHLIWSBSXLMQZ-UHFFFAOYSA-N 451.445 4.367 5 40 JIBB O=c1/c(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)sc2nc3ccccc3n12 33323553 AYJRENWXPIUMOM-ZDLGFXPLSA-N 468.288 4.388 5 40 JIBB COC(=O)c1cc(C(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc([N+](=O)[O-])c1 101095471 CUYLVRBDENGPQB-UHFFFAOYSA-N 465.462 4.485 5 40 JIBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@H]3C=Cc4ccccc4N3[C@H]2C(=O)c2cccc([N+](=O)[O-])c2)cc1 248255532 SEURAFXKYPYKPI-ZFFYZDHPSA-N 471.469 4.499 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)Cc2cccc(C)c2)cc1 409322237 JKWHJDBNPWEKFQ-UHFFFAOYSA-N 467.547 4.350 5 40 JIBB O=C(c1c2ccccc2cc2ccccc12)N1CCC(N2CCC[C@H](C(=O)N3CCOCC3)C2)CC1 8662766 LDQKDRLEMKIYMC-DEOSSOPVSA-N 485.628 4.168 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@H](C)C5)c1 9345978 AFQDSJRUOSUSRE-ZDUSSCGKSA-N 463.592 4.151 5 40 JIBB COc1ccc(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)cc1Br 14009717 HFLCQWXJTXDCNI-UHFFFAOYSA-N 489.145 4.255 5 40 JIBB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 19929414 SVGCVZOAFGJATM-UHFFFAOYSA-N 491.957 4.198 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1Cl 408567106 PRSSRGAPVHVXOT-JMTGYTTLSA-N 493.947 4.496 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1ccccc1[N+](=O)[O-] 9391232 GEMAEGAWWFELBZ-OAQYLSRUSA-N 466.519 4.158 5 40 JIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3ccccc3I)nc12 10010543 GKBKSYIKXLSCCY-UHFFFAOYSA-N 455.233 4.070 5 40 JIBB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 12768681 UNFXUWYJZAFODX-FUHWJXTLSA-N 490.491 4.217 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 224510596 YDBAPQJSNOCLHI-GOSISDBHSA-N 498.363 4.233 5 40 JIBB COc1cccc(CN(C(=O)Cc2ccccc2[N+](=O)[O-])[C@H](C)C(=O)NC2CCCCC2)c1 224933290 TZMIDMXXFFXMCU-GOSISDBHSA-N 453.539 4.012 5 40 JIBB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225349558 RLNQLRZWBCJNGA-MSOLQXFVSA-N 473.595 4.169 5 40 JIBB Cn1c(COc2ccc(Cl)cc2Cl)nnc1SCC(=O)Nc1ccc([N+](=O)[O-])cc1O 408599984 QGFLMFYXNUCALY-UHFFFAOYSA-N 484.321 4.046 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3C(=O)O)o2)C1=O)c1ccc([N+](=O)[O-])cc1 409365949 ZUPNAQHNHGHHDA-JAIQZWGSSA-N 478.438 4.472 5 40 JIBB O=C1N(c2ccccc2)C(=O)C2(Cc3cc([N+](=O)[O-])ccc3N3CCC[C@H]32)C(=O)N1c1ccccc1 9090176 AASYSELUNHFJHJ-QHCPKHFHSA-N 482.496 4.306 5 40 JIBB O=C(Nc1cccc(I)c1)C1CCN(c2ccccc2[N+](=O)[O-])CC1 12587352 DLLKTGHLCZDPBT-UHFFFAOYSA-N 451.264 4.055 5 40 JIBB CC1CCN(c2ccc([N+](=O)[O-])cc2C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)CC1 20153249 PACQPXBKENCRBR-UHFFFAOYSA-N 476.942 4.310 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 20249520 FGUYIMADGSZXIE-UHFFFAOYSA-N 458.521 4.213 5 40 JIBB COc1c(O)cc2oc3cc4c(c(O)c3c(=O)c2c1CCC(C)(C)OC=O)CCC(C)(C)O4 71294596 FKNCBEGGZXHDGG-UHFFFAOYSA-N 456.491 4.354 5 40 JIBB biogenic Cc1ccc([N+](=O)[O-])cc1N(CCCC(=O)Nc1ccc(Cc2ccncc2)cc1)S(C)(=O)=O 224854924 FXYCZDVWVULMQZ-UHFFFAOYSA-N 482.562 4.074 5 40 JIBB COc1cc(OC)cc(-c2nc(SCC(=O)c3cc([N+](=O)[O-])ccc3Br)n[nH]2)c1 408675050 QBRMLSRBOYGQNV-UHFFFAOYSA-N 479.312 4.135 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccccc1[N+](=O)[O-])N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408685927 QIFVBRLBZLRUPO-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB COc1ccc2[nH]cc(CCNC(=O)COc3ccc4c(oc(=O)c5ccccc54)c3C)c2c1 12890316 SMSBVMLJTGGNJU-UHFFFAOYSA-N 456.498 4.482 5 40 JIBB biogenic CCCCc1nc2c(C)c(NC(=O)CCC(=O)OCC)cnc2n1Cc1cccc([N+](=O)[O-])c1 13500039 HTJLAINXTMPCNB-UHFFFAOYSA-N 467.526 4.321 5 40 JIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)Nc1ccccc1C(=O)NCc1ccco1 14729768 HQHJCQYLESEZPS-UHFFFAOYSA-N 451.482 4.316 5 40 JIBB CCc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 17950086 INKGUAIAJDNUEY-VJBWXMMDSA-N 461.449 4.347 5 40 JIBB Cc1c(N(CCCC(=O)Nc2ccc3c4c(cccc24)CC3)S(C)(=O)=O)cccc1[N+](=O)[O-] 224862398 GKROCJSVZAJJOD-UHFFFAOYSA-N 467.547 4.340 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)CC2)c([N+](=O)[O-])c1 408576383 XTICWTRHYWCLOF-AWEZNQCLSA-N 496.347 4.194 5 40 JIBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CCCC[C@H]2C1=O 408658426 VALXACAPERJICL-PNHOKKKMSA-N 483.908 4.052 5 40 JIBB O=C(NC1CCC(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)CC1)c1cc([N+](=O)[O-])ccc1Cl 2101180 LYNHYTQZMLWAOM-UHFFFAOYSA-N 481.292 4.281 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OC)cc1OC 2409826 GTECLTYSFWCFDS-UHFFFAOYSA-N 473.533 4.036 5 40 JIBB COC(=O)C1=CN(Cc2ccc(F)cc2)C=C(C(=O)OC)C1c1ccc(Cl)c([N+](=O)[O-])c1 2805627 CQNXOTKDJSRUCF-UHFFFAOYSA-N 460.845 4.101 5 40 JIBB COc1ccc(C(=O)c2noc(-c3ccc([N+](=O)[O-])cc3)c2S(=O)(=O)c2ccccc2)cc1 3848929 YOGCMAHKYIAPPF-UHFFFAOYSA-N 464.455 4.322 5 40 JIBB biogenic O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)Nc1ccc([N+](=O)[O-])cc1 4147697 YCMYTYRDZKQIMI-UHFFFAOYSA-N 474.951 4.173 5 40 JIBB COc1ccc(NC(=O)COc2ccccc2[N+](=O)[O-])cc1S(=O)(=O)Nc1ccccc1Cl 12537739 GSFBRLJGXBCFES-UHFFFAOYSA-N 491.909 4.075 5 40 JIBB CC1CCN(c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(C(=O)O)c3)cc2[N+](=O)[O-])CC1 20153090 HDSQAYSMDWEXKD-UHFFFAOYSA-N 476.942 4.310 5 40 JIBB CCCCCn1/c(=N\C(=O)c2cccs2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101094855 IEQUPHOGIRSDHZ-QYQHSDTDSA-N 478.574 4.127 5 40 JIBB COc1ccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224456276 QFQABJNHJLAIKS-SFHVURJKSA-N 473.595 4.026 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc(Cl)cc2C)o1 408674636 DFOYAKBTKISXRB-UHFFFAOYSA-N 464.887 4.258 5 40 JIBB CN(c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 8983714 VDBGEIFYQXAQOM-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB Cc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC(=S)NCc2ccccc2)c(C)c1 9661873 QEPDAXSELALZAD-UHFFFAOYSA-N 485.591 4.004 5 40 JIBB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222460235 RKOLQDBTWNDKCO-QFIPXVFZSA-N 457.596 4.468 5 40 JIBB Cc1ccccc1NC(=O)CSc1nnc2n3ncnc3c3c4c(sc3n12)C[C@@H](C)CC4 2426847 GKSBTJSVPJEXPL-LBPRGKRZSA-N 463.592 4.151 5 40 JIBB CCc1nc2c(c(=O)n1CCOC)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 9057822 BAUNXROVMRCVMP-UHFFFAOYSA-N 478.350 4.255 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1Cl 12643384 CWNDKYKSPYDHGE-UHFFFAOYSA-N 470.898 4.117 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cc(Cl)ccc1=O 13941029 CEOXLYMRGCBIRS-XMMPIXPASA-N 493.947 4.315 5 40 JIBB O=C(CSc1nc2ccccc2c2nc(=O)c(-c3ccccc3)nn12)NC12CC3CC(CC(C3)C1)C2 40157421 MESHLWQISQARAS-UHFFFAOYSA-N 497.624 4.482 5 40 JIBB C[C@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NC[C@@H](O)c1ccccc1 8792128 GDRABFAOTRAMGK-SSOJOUAXSA-N 477.520 4.209 5 40 JIBB biogenic O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1)c1cccc([N+](=O)[O-])c1 9569272 PKRXHMKMMKLGGY-UHFFFAOYSA-N 455.467 4.128 5 40 JIBB COc1ccc(N(CCCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)S(C)(=O)=O)cc1Cl 10364549 GSBXAJBTOQBXBJ-UHFFFAOYSA-N 476.338 4.095 5 40 JIBB Cc1ccc(NC(=O)CSc2ccc(N3C(=O)[C@H]4CC=CC[C@@H]4C3=O)cc2)cc1[N+](=O)[O-] 113628060 UEHLQUMFSONSCU-OALUTQOASA-N 451.504 4.090 5 40 JIBB CCc1nc2c(c(=O)n1C[C@@H]1CCCO1)c1nc3ccccc3nc1n2-c1cccc(C(C)=O)c1 6150869 GLCNULCZQJFDSK-IBGZPJMESA-N 467.529 4.228 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1ccccc1Sc1ccccc1)S(C)(=O)=O 10434368 ZCECIJIWXZZKLV-UHFFFAOYSA-N 471.560 4.459 5 40 JIBB C[C@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)N1 27460221 XWBIOHAPXYUADL-YUNKPMOVSA-N 494.301 4.398 5 40 JIBB CC[C@@H](C(=O)N[C@@H](C)c1cc(C)c(C)cc1C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 223483432 YGLLIGFXMILIQI-RXVVDRJESA-N 461.584 4.250 5 40 JIBB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223808123 SMVYTYJQNSQZMX-HXUWFJFHSA-N 491.972 4.359 5 40 JIBB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224518561 VDNKWNIDLCIUFR-QFIPXVFZSA-N 457.596 4.408 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 260934963 NTLJHEQUGIFUNX-VGSWGCGISA-N 491.610 4.457 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3C)cc2)cc1C 408551910 JNPZDUDXIZYMLO-UHFFFAOYSA-N 469.519 4.338 5 40 JIBB CCc1nc(N2CCN(C(=O)c3cccc([N+](=O)[O-])c3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3 1357293 UHASICRUNVBBCX-HNNXBMFYSA-N 465.579 4.249 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@@H]3C2=O)cc1 9232473 ZNSABAHOLSKQRR-ZRBLBEILSA-N 459.458 4.045 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1CCC 9510639 YAWCTUFQIZDGAG-OFVILXPXSA-N 482.512 4.335 5 40 JIBB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc([N+](=O)[O-])ccc1N1CCOCC1 20142906 PVULOWURYDSSRP-UHFFFAOYSA-N 457.870 4.089 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408676571 ATONZVDVDGJPPW-AEFFLSMTSA-N 498.879 4.055 5 40 JIBB O=C(O)[C@@H]1CS[C@@H](c2ccc(Sc3nc4ccc([N+](=O)[O-])cc4s3)c([N+](=O)[O-])c2)N1 408987085 AFSVFWWIFKXCDM-NHYWBVRUSA-N 464.506 4.052 5 40 JIBB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 409368399 UGKAVJZDGJSHOB-GMMLXXJASA-N 482.492 4.073 5 40 JIBB CCOC(=O)c1c(C)oc2ccc(Oc3ccc([N+](=O)[O-])cc3S(=O)(=O)N3CCCC3)cc12 12949263 QFFKIIKDRHBFHC-UHFFFAOYSA-N 474.491 4.403 5 40 JIBB O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)c1cccc(NC(=O)c2ccccc2O)c1 39757769 DMOXNOZVVVRGLM-UHFFFAOYSA-N 461.459 4.324 5 40 JIBB CCc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2cccc([N+](=O)[O-])c2)cc1 101130523 INKGUAIAJDNUEY-VABKMULXSA-N 461.449 4.347 5 40 JIBB CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc([N+](=O)[O-])ccc3Cl)CC2)cc1 408696092 ZWXADMLZIBSDTE-UHFFFAOYSA-N 469.972 4.010 5 40 JIBB O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccc(F)cc1 1874263 VDEAFHDCXYFXOS-RPLLCQBOSA-N 498.514 4.143 5 40 JIBB biogenic Cc1cc(NC(=O)Cn2c(=O)c(=O)n(Cc3ccccc3)c3ccc(Cl)cc32)c([N+](=O)[O-])cc1C 9266976 WPHJCZYXDLCSCF-UHFFFAOYSA-N 492.919 4.029 5 40 JIBB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3ccccc32)c1C 11867487 YWTSSPZWRGWPPK-NRFANRHFSA-N 465.527 4.226 5 40 JIBB O=C(Nc1cccc([N+](=O)[O-])c1)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 13680497 IQMOFSKQQWFTAD-UHFFFAOYSA-N 472.350 4.082 5 40 JIBB CC(C)COc1cccc(C(=O)NC(=S)N2CCN(c3ccc(Cl)cc3[N+](=O)[O-])CC2)c1 14273790 BGCXLJWOUMRYAV-UHFFFAOYSA-N 476.986 4.120 5 40 JIBB Cc1nc(-c2ccc(Oc3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3[N+](=O)[O-])cc2)no1 26227243 QDTFELZFVLNDKO-CQSZACIVSA-N 458.496 4.166 5 40 JIBB C[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)[C@H](c1cccs1)N1CCN(Cc2ccccc2)CC1 97546842 JQTZLNSGAZKAIW-NTKDMRAZSA-N 464.591 4.334 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])cc2Cl)CC1)c1ccc2ccccc2c1 108068917 SXWYJWJREIONKQ-UHFFFAOYSA-N 454.939 4.238 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccccc2OCc2cccc([N+](=O)[O-])c2)C1=O 1163767 PWXDQBGPQUNTPE-VCRXTVNUSA-N 456.476 4.162 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(OCC)cc1 8836787 ROBUPNAKSSKOTI-UHFFFAOYSA-N 457.534 4.417 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 9443088 SSHDQOMGEZKBJK-UHFFFAOYSA-N 480.477 4.172 5 40 JIBB Cc1csc(Sc2ccc(C(=O)OCCCn3c(=O)[nH]c4ccccc43)cc2[N+](=O)[O-])n1 13098436 XJZGMTNIVIFSGY-UHFFFAOYSA-N 470.532 4.401 5 40 JIBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2ccccn2)[C@]12C(=O)Nc1ccc(Cl)cc12 35883603 KYWHEGPNHHAKID-XVWGUNQUSA-N 462.893 4.019 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@@H]3c4ccccc4C=CN23)cc1 43716731 ARROASCPBJVBSE-NDBXHCKUSA-N 495.491 4.002 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Br)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408686876 SNOIHSWLRHLNAA-PMACEKPBSA-N 498.333 4.256 5 40 JIBB COc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1Oc1ccc([N+](=O)[O-])cn1 409235562 CGTXMZDEKDPWRB-YBFXNURJSA-N 460.446 4.192 5 40 JIBB O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 8831500 IDGDEXAMKYZOLL-UHFFFAOYSA-N 453.568 4.312 5 40 JIBB CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])s1)c1nc2cc3c(cc2s1)OCCO3 10066917 NQWGVSSANQQGPA-UHFFFAOYSA-N 462.553 4.026 5 40 JIBB COc1ccc(-n2nc3ccc(NC(=O)COc4ccc([N+](=O)[O-])cc4)cc3n2)cc1Cl 20610893 POHVHZBLCBUGRR-UHFFFAOYSA-N 453.842 4.008 5 40 JIBB CC(=O)c1sc(N(C[C@@H]2CCCO2)C(=O)[C@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)nc1C 36614032 PLGUJPSKHUPSOB-ZFWWWQNUSA-N 467.931 4.195 5 40 JIBB O=C1[C@H]2ON(c3cccc([N+](=O)[O-])c3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 101075913 WBNRSNDIXOEGFN-NJYVYQBISA-N 494.301 4.408 5 40 JIBB CCCn1/c(=N\C(=O)c2ccc(Cl)cc2Cl)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 103360507 GKURSKDDMMAGFC-HFTWOUSFSA-N 499.354 4.284 5 40 JIBB O=C(CN(c1ccc([N+](=O)[O-])cc1)S(=O)(=O)c1ccccc1)NCc1cccc(C(F)(F)F)c1 222952275 XMLGDOATHPGRMM-UHFFFAOYSA-N 493.463 4.125 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225055733 SCXJMGRDACJFIR-RTBURBONSA-N 457.596 4.468 5 40 JIBB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)Cc2cccc(C)c2)cc1 408585447 DVJFEKWZNPUZNU-UHFFFAOYSA-N 467.547 4.350 5 40 JIBB O=C1[C@@H]2[C@@H](C(=O)N1c1cc([N+](=O)[O-])ccc1O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652898 INXWUVPPVMOFKQ-CSKPTYFESA-N 481.291 4.398 5 40 JIBB O=C(CCCC(=O)OCC(=O)Nc1ccc(Br)c(Cl)c1)Nc1cccc([N+](=O)[O-])c1 408664881 LAWOGJLITUELHA-UHFFFAOYSA-N 498.717 4.301 5 40 JIBB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3C)cc2)cc1 15438987 MLTBXYWOMMSKKX-UHFFFAOYSA-N 455.492 4.355 5 40 JIBB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2[N+](=O)[O-])nnc1-c1cccc(NC(C)=O)c1 19929462 ILFTXCDFPVDSII-UHFFFAOYSA-N 468.539 4.179 5 40 JIBB CCN(c1ccc(OCC(=O)Nc2cccc([N+](=O)[O-])c2C)cc1)S(=O)(=O)c1ccc(C)cc1 19938055 QREUCOASBMZIPJ-UHFFFAOYSA-N 483.546 4.444 5 40 JIBB CCCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2ccccc2[N+](=O)[O-])n2c1nc1ccccc12 20675949 XWFLNBXDDOZEQB-SFTDATJTSA-N 450.495 4.250 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)N[C@H]1CCCc2ccccc21 89493540 BJKXNSSTDWPPNW-RBUKOAKNSA-N 461.971 4.294 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@H]1C=Cc3ccccc3N1[C@H]2C(=O)c1ccccc1 248094851 HWJLUUFLOUQPQJ-BELIEFIBSA-N 479.492 4.176 5 40 JIBB C[C@@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408644708 HJMIDEXGPJCEMZ-UTKZUKDTSA-N 458.470 4.429 5 40 JIBB CCCCNC(=O)CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1 408981489 HZXLIVWDWQEGAU-UHFFFAOYSA-N 470.532 4.014 5 40 JIBB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1OCc1ccc([N+](=O)[O-])cc1 409147623 VONPVSIAXYKHCR-DEDYPNTBSA-N 458.492 4.255 5 40 JIBB Cc1cc(C(=O)Oc2ccc3cc(C(=O)NCCc4ccccc4)c(=O)oc3c2)ccc1[N+](=O)[O-] 941592 RQMUBPGSVBCRFF-UHFFFAOYSA-N 472.453 4.201 5 40 JIBB COc1ccc(C(=O)C2CCN(C(=O)Cn3c4ccccc4c(=O)c4ccccc43)CC2)cc1 26131566 KLNURWDWFUSBFH-UHFFFAOYSA-N 454.526 4.285 5 40 JIBB O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(C(=O)c2cc3cc([N+](=O)[O-])ccc3s2)C1 40148893 ZUNWMWQGGYAURT-LBPRGKRZSA-N 489.351 4.458 5 40 JIBB CN1C[C@H](c2ccccc2OCc2ccccc2Cl)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408565619 LNKQUYKVXIIMHU-MQVPCNEGSA-N 463.921 4.441 5 40 JIBB COc1cc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c([N+](=O)[O-])cc1OC 13062567 UJHSSUHQKJBYMN-UHFFFAOYSA-N 462.764 4.080 5 40 JIBB O=C(O[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2[N+](=O)[O-])C1)c1cc(Cl)ccc1[N+](=O)[O-] 13134659 KWHHLLCXGRZYAG-CYBMUJFWSA-N 468.249 4.271 5 40 JIBB CC(C)(C)[C@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 14271573 WTPWVKJBCXMFEF-LBPRGKRZSA-N 460.581 4.033 5 40 JIBB CC(C)COc1ccc(C(=O)NC(=S)N2CCN(c3c(Cl)cccc3[N+](=O)[O-])CC2)cc1 14273776 OHVJMXXMAJAOEH-UHFFFAOYSA-N 476.986 4.120 5 40 JIBB O=C(CN(Cc1ccco1)S(=O)(=O)c1cccc(Cl)c1)Nc1ccc(Cl)c([N+](=O)[O-])c1 32957827 BMSVJOBLYHYBSP-UHFFFAOYSA-N 484.317 4.324 5 40 JIBB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8831487 OVHNDNHMPKMGAG-UHFFFAOYSA-N 453.568 4.312 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)cc1 9062416 YHQCEDKLQXKBKO-UHFFFAOYSA-N 479.474 4.006 5 40 JIBB Cc1cccc(N2CCN(C(=O)[C@H](C)Nc3ccc(C(F)(F)F)cc3[N+](=O)[O-])C[C@@H]2C)c1 9493644 NJTOHBMIOKHXIH-HOTGVXAUSA-N 450.461 4.460 5 40 JIBB COc1ccc(N2C(=O)[C@H]3ON(c4ccc(Cl)cc4)[C@@H](c4cccc([N+](=O)[O-])c4)[C@@H]3C2=O)cc1 11582385 OAHWDTQRGQNEJU-FKBYEOEOSA-N 479.876 4.308 5 40 JIBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)OCCOc1c(Cl)cccc1Cl 26914207 NJFBSMXWCYQODS-KRWDZBQOSA-N 487.361 4.375 5 40 JIBB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)Nc2cccc([N+](=O)[O-])c2)cc1 144996758 PVXZXFZNZVMSJS-UHFFFAOYSA-N 459.911 4.467 5 40 JIBB C[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 223162332 PUSQISQTGPFBDB-SFHVURJKSA-N 479.558 4.156 5 40 JIBB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(N3CCOCC3)c([N+](=O)[O-])c2)c1 8833023 CCMWATMZFNMIDG-UHFFFAOYSA-N 492.985 4.215 5 40 JIBB COc1cc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc([N+](=O)[O-])c1 9340336 WCBQWPDDDUZTSL-BBRMVZONSA-N 451.361 4.306 5 40 JIBB O=C(COC(=O)c1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1C(=O)Nc1ccccc1 9960671 JWUMUDXUHBJJBT-UHFFFAOYSA-N 453.838 4.296 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3F)cc2)cc1[N+](=O)[O-] 21917089 LPSGFQRBNGXWNX-OAHLLOKOSA-N 457.483 4.334 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 33889534 IPWIVXRFWXSEAS-CJRSTVEYSA-N 483.455 4.132 5 40 JIBB O=C1S/C(=C\c2ccc(I)o2)C(=O)N1Cc1ccccc1[N+](=O)[O-] 106727660 XLNHJQBDRQIWOZ-GHXNOFRVSA-N 456.217 4.029 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1cccc(F)c1 408575360 WARAJLZLQPAGLZ-CNOGLUJGSA-N 491.519 4.372 5 40 JIBB Cc1cc(C)cc(NC(=O)CSc2n[nH]c([C@@H](NC(=O)c3cccc([N+](=O)[O-])c3)C(C)C)n2)c1 409157359 IWLSOEJCIQGMFW-FQEVSTJZSA-N 482.566 4.188 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2cc([N+](=O)[O-])c(Cl)cc2Cl)C1=O)Nc1ccc2c(c1)OCO2 409212659 RIYQXTNNUJAULQ-XRVIQIRUSA-N 496.284 4.305 5 40 JIBB COc1ccc2c(c1OC)c(=O)n1c3ccc(OCC(=O)NCCC(C)C)cc3c3ccnc2c31 8792403 YPZPVZSDCARZQH-UHFFFAOYSA-N 473.529 4.150 5 40 JIBB biogenic Cc1c(C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)c(Cl)c2)cccc1[N+](=O)[O-] 8832618 FEVHCJJVQRBVMY-UHFFFAOYSA-N 468.897 4.364 5 40 JIBB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)sc2c1CCC2 14274770 WRHCKRJGJKWWDC-UHFFFAOYSA-N 488.591 4.049 5 40 JIBB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)Cn2c3ccccc3c(=O)c3ccccc32)C[C@@H](C)O1 26549415 TZMPAABYEPLJBL-RTBURBONSA-N 469.541 4.043 5 40 JIBB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(OC)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225303170 QNYQFDRYXGRFIY-HSZRJFAPSA-N 467.566 4.402 5 40 JIBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)o1 260914667 GVVBNLUMRDLSCX-UJUVCNOISA-N 450.520 4.401 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O 408679893 FNEWKVJGZJSUBD-UHFFFAOYSA-N 480.820 4.010 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1[N+](=O)[O-] 409045701 HEAZOIHXOCWANQ-PGAZUGQPSA-N 468.465 4.091 5 40 JIBB Cc1ccc(-n2nc3ccc(NC(=O)c4cc([N+](=O)[O-])ccc4N4CCOCC4)cc3n2)cc1Cl 16346948 MAAKODSZBZQOAE-UHFFFAOYSA-N 492.923 4.379 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c1 223549306 KIRZYTLLDYVIMH-PKTZIBPZSA-N 456.531 4.348 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc([N+](=O)[O-])ccc3C)c(C)c2)cc1 408674547 AEVLLHMKENEFDD-UHFFFAOYSA-N 485.518 4.039 5 40 JIBB Cc1ccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)C(C)C)cc1 409175822 VIQMJMVCYIUXLJ-NRFANRHFSA-N 496.593 4.198 5 40 JIBB CC[C@]1(C)Cc2c(sc3c2c2ncnn2c2nnc(SCC(=O)c4ccccc4)n32)CO1 9345329 NXJYGQTYHOSHRS-JOCHJYFZSA-N 464.576 4.203 5 40 JIBB Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1cc(Oc2cccc(C(F)(F)F)c2)cc([N+](=O)[O-])c1 13548690 XGNYHHQBGOBRLH-UHFFFAOYSA-N 465.344 4.458 5 40 JIBB CC(C)(C)[C@@H]1CCc2c(sc(NC(=S)NC(=O)c3cccc([N+](=O)[O-])c3)c2C(N)=O)C1 14271571 WTPWVKJBCXMFEF-GFCCVEGCSA-N 460.581 4.033 5 40 JIBB COc1ccc(N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)S(=O)(=O)c2ccc(C)cc2)cc1OC 19856729 UXFYFNGTZJAKNE-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB C[C@@H]1Cc2cc(C(=O)Nc3cccc([N+](=O)[O-])c3)ccc2N1S(=O)(=O)c1ccc(F)cc1 20449632 ZMEQCUQHVCJVCQ-CQSZACIVSA-N 455.467 4.126 5 40 JIBB COc1c([N+](=O)[O-])cc(NC(=O)c2cc(I)ccc2Cl)cc1[N+](=O)[O-] 20528945 KGVNLMFXHXJXNU-UHFFFAOYSA-N 477.598 4.022 5 40 JIBB CC(=O)c1sc(N(C[C@H]2CCCO2)C(=O)[C@@H](C)Oc2ccc([N+](=O)[O-])cc2Cl)nc1C 36614031 PLGUJPSKHUPSOB-UKRRQHHQSA-N 467.931 4.195 5 40 JIBB O=C(Cn1cnc2ccc([N+](=O)[O-])cc2c1=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 104366795 JAPIBSOVPODGCJ-DWHHXGELSA-N 499.483 4.314 5 40 JIBB COc1cc(/C=C2/SC(=O)N(CC(=O)OC(C)C)C2=O)ccc1OCc1cccc([N+](=O)[O-])c1 205763010 USFHSJJQDTTZCM-RGVLZGJSSA-N 486.502 4.170 5 40 JIBB O=C(CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc([N+](=O)[O-])cc1)Nc1ccccc1 225512810 VIMOVMOEDTZDFS-RPBOFIJWSA-N 498.568 4.392 5 40 JIBB O=C(O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409147706 VUMJYFADXDYWDT-LZYBPNLTSA-N 493.291 4.057 5 40 JIBB CCn1c(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409159976 OQUDNRBXECAITP-NRFANRHFSA-N 496.593 4.373 5 40 JIBB Cc1cc(N2CCN(S(=O)(=O)c3cccc([N+](=O)[O-])c3)CC2)nc2c(C(C)C)cccc12 8824560 JPXOAPQNODOYDQ-UHFFFAOYSA-N 454.552 4.086 5 40 JIBB COc1ccc(-c2c(NC(=O)c3cccc([N+](=O)[O-])c3)n(C)c3ccccc3c2=O)cc1OC 9009619 JKYGULOXYJGRTC-UHFFFAOYSA-N 459.458 4.383 5 40 JIBB COc1cc(C(=O)OCc2csc(CC(=O)Nc3cc(C)ccc3C)n2)c([N+](=O)[O-])cc1OC 9634282 WSYCLOFKRJAJNA-UHFFFAOYSA-N 485.518 4.224 5 40 JIBB CC1CCN(c2ccc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)cc2[N+](=O)[O-])CC1 12731027 ZABDMNVIIJQBMD-IRXDYDNUSA-N 473.599 4.149 5 40 JIBB COc1ccc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2Br)cc1Br 16226681 DISDGJAOAQQUJT-UHFFFAOYSA-N 489.145 4.255 5 40 JIBB O=C1N[C@@H](c2ccc(-c3cccc([N+](=O)[O-])c3)o2)[C@@H](C(=O)c2cccs2)[C@@](O)(C(F)(F)F)N1 101882245 MSGHTQFMJZREGQ-TXPKVOOTSA-N 481.408 4.020 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3[C@@H]2C1=O 103980748 NZIIGMMMXFUKHO-RCTAOEEJSA-N 479.492 4.176 5 40 JIBB CC[C@H](NC(=O)[C@H](CC)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 260760834 BHEFRWJMKFJUJJ-PMACEKPBSA-N 477.583 4.032 5 40 JIBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC=C[C@@H](C)[C@@H]2C1=O 408650243 LZVMPGKDXAQXEF-UFNANVBGSA-N 495.919 4.074 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccccc1)Nc1ccc(F)c([N+](=O)[O-])c1 2633828 OVICRKDSQQCTGW-UHFFFAOYSA-N 464.478 4.223 5 40 JIBB Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)cc1 3137200 JAAPLYIWJIJFJT-HNNXBMFYSA-N 461.758 4.316 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(Oc3cc(OC)cc(OC)c3)c([N+](=O)[O-])c2)cc1 13137170 ZXVOVXDZGVFEOY-UHFFFAOYSA-N 460.464 4.214 5 40 JIBB CCCCNC(=O)[C@H](C)N(Cc1cccc(Br)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225202523 YCUMBPWZBIVIQF-INIZCTEOSA-N 476.371 4.233 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc(Cl)cc3[N+](=O)[O-])C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408687604 URIMOENUKKRORD-RBUKOAKNSA-N 498.879 4.055 5 40 JIBB C[C@@H]1C=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]21 408687714 UUIIJCMMYLZQOT-HEFCMCLBSA-N 453.882 4.003 5 40 JIBB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409191708 LFBLHKTZZAGEBB-OVCLIPMQSA-N 466.675 4.112 5 40 JIBB CCOc1cc(Br)c(CN2C(=O)N[C@](C)(c3ccc([N+](=O)[O-])cc3)C2=O)cc1OCC 9644330 RFQREFABVCHLQR-OAQYLSRUSA-N 492.326 4.122 5 40 JIBB Cc1nc2ncccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1 15881359 MVIKOPNAWMVMNK-UHFFFAOYSA-N 453.817 4.042 5 40 JIBB Cc1ccc(NC(=O)[C@H](OC(=O)Cc2cn3ccsc3n2)c2ccccc2)c([N+](=O)[O-])c1 9631540 XJSACGLSMQBQNB-HXUWFJFHSA-N 450.476 4.078 5 40 JIBB CCCCn1/c(=N/C(=O)c2ccc(Cl)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 102918872 GCRVNCNVRAAMHG-BYNJWEBRSA-N 492.963 4.329 5 40 JIBB O=c1/c(=C\c2cccs2)sc2n1[C@@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1 166177601 HDNIZPLJSLQENT-YJADQXIJSA-N 471.563 4.288 5 40 JIBB C[C@H]1CCc2sc3c(c2C1)c1ncnn1c1nnc(SCc2ccc([N+](=O)[O-])cc2)n31 9108719 PHWLHFGGFZDIER-NSHDSACASA-N 451.537 4.312 5 40 JIBB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1cc([N+](=O)[O-])ccc1N1CCCCC1 9540650 BDFLTZIIHMXCSL-UHFFFAOYSA-N 498.580 4.471 5 40 JIBB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CCN(c2ccccc2[N+](=O)[O-])CC1 13112810 IYMNTZUDBOMBJP-UHFFFAOYSA-N 494.573 4.261 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1[N+](=O)[O-] 16692996 ZDUXKWOIJZMAKR-UHFFFAOYSA-N 458.279 4.125 5 40 JIBB CC[C@H](NC(=O)CCCN(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc(OC)c(C)c1 225816902 XNGHLLIMAQNMQM-FQEVSTJZSA-N 477.583 4.034 5 40 JIBB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)OCC(=O)Nc4cccc([N+](=O)[O-])c4)CC3=O)cc2)cc1 408655643 HXDMOMJQZAMICM-GOSISDBHSA-N 489.484 4.230 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)N1CCN(c2ncnc3c(-c4ccc(Cl)cc4)nsc23)CC1 1370879 KDHXXHSVIWNJAD-UHFFFAOYSA-N 480.937 4.277 5 40 JIBB COc1ccc(-n2c(SCC(=O)Nc3ccc([N+](=O)[O-])cc3)nnc2-c2ccc(O)cc2)cc1 6157252 UEFHXIKHLYETSO-UHFFFAOYSA-N 477.502 4.288 5 40 JIBB COc1cccc(-c2nc(CC(=O)OCC(=O)Nc3ccc([N+](=O)[O-])cc3Cl)cs2)c1 16043594 SXRQRHSNQLNRCQ-UHFFFAOYSA-N 461.883 4.105 5 40 JIBB Cc1ccc(-c2ccc(C(=O)Nc3ccc([N+](=O)[O-])cc3N3CCOCC3)o2)c([N+](=O)[O-])c1 20611842 WHEKBEJUAYVDPB-UHFFFAOYSA-N 452.423 4.160 5 40 JIBB CCSc1n[nH]c(-n2ccc3nc4ccn(-c5cc(Cl)cc(Cl)c5)c(=O)c4cc3c2=O)n1 40398944 SNBIQJCXDRUNIY-UHFFFAOYSA-N 485.356 4.227 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@H]1[C@@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 105346367 MRLJKSAARPAOIB-ZGXDEKTJSA-N 471.538 4.414 5 40 JIBB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225375702 ZYEHJTRWEWPOJN-QHCPKHFHSA-N 497.592 4.281 5 40 JIBB COCCCN1C(=O)S/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])c(OC)c2)C1=O 409231296 BRIOJAKAZALFHW-YBFXNURJSA-N 489.462 4.377 5 40 JIBB Cc1cc(NS(=O)(=O)c2ccc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)cc2)no1 6142702 HNOWQSFDYFENCN-UHFFFAOYSA-N 475.482 4.296 5 40 JIBB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c([N+](=O)[O-])c1 19927883 FOIYYCRHJNAHDI-UHFFFAOYSA-N 462.329 4.490 5 40 JIBB O=C(COC(=O)c1c2ccccc2cc2ccccc12)NCc1ccccc1CN1CCOCC1 23982680 BVEGOIHZUVHSRC-UHFFFAOYSA-N 468.553 4.298 5 40 JIBB C[C@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2[N+](=O)[O-])C1 36008107 OTJFYOGLOGFXQD-ICSRJNTNSA-N 450.539 4.322 5 40 JIBB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2OC)o1 223074777 QLIXQRUANNCZSE-FCHUYYIVSA-N 468.535 4.267 5 40 JIBB COc1cc([C@@H]2[C@H](C)N[C@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(Cl)cc1 408575098 WAGLUYUTAJFUCC-DWSPACKXSA-N 493.947 4.496 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1-c1cc(Br)ccc1O 409412434 WTEOXKPQFUKXMZ-UHFFFAOYSA-N 492.355 4.381 5 40 JIBB O=C(COC(=O)c1ccc(N2CCCCCC2)c([N+](=O)[O-])c1)Nc1ccccc1OC(F)F 9715828 CYKASJCKJBXXBN-UHFFFAOYSA-N 463.437 4.372 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(-n3cc(C(=O)c4ccccc4O)cn3)c([N+](=O)[O-])c2)c(C)c1 13140462 IMQCMYNSORHOIM-UHFFFAOYSA-N 492.513 4.135 5 40 JIBB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(S(=O)(=O)c2cccc([N+](=O)[O-])c2)C1 13563369 NLZTVDTXMOKTRZ-FQEVSTJZSA-N 495.557 4.213 5 40 JIBB COc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1[N+](=O)[O-] 14272871 IZNCLURPBWYXEZ-UHFFFAOYSA-N 460.078 4.389 5 40 JIBB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21)c1ccc([N+](=O)[O-])cc1 17083416 QPLBSWUXIOQSEE-HSZRJFAPSA-N 481.302 4.365 5 40 JIBB COc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1[N+](=O)[O-] 57316345 UZTOYOVDCJGHJZ-UHFFFAOYSA-N 490.335 4.430 5 40 JIBB C[C@H]1CC[C@H]2C(=O)N(c3ccc(C(=O)OCC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)cc3)C(=O)[C@@H]2C1 100744787 HNFJLCRNUKHINH-MORSLUCNSA-N 484.892 4.214 5 40 JIBB COc1cc([C@@H]2[C@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@@H]2[N+](=O)[O-])ccc1O 229858007 DMYBEYYSUCWYDA-AKAGGGOCSA-N 487.468 4.205 5 40 JIBB O=C(c1ccccc1[N+](=O)[O-])N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408689682 YVBWHLPROFKWAK-AFHBHXEDSA-N 486.311 4.266 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@@H]2C1 408689689 YVPLQJMKGDSLTM-RBUKOAKNSA-N 453.882 4.147 5 40 JIBB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)C1=O 409211863 OMRBXFABYKBMKH-SGEFVQMOSA-N 460.464 4.241 5 40 JIBB Cc1cccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)C[C@@H](C)CC5)c1 2423172 GCCNLLSXEYZALQ-ZDUSSCGKSA-N 463.592 4.151 5 40 JIBB O=[N+]([O-])c1ccc2c(c1)Cc1c-2cc(I)c(O)c1I 4964009 PMICNJGGSYOXMX-UHFFFAOYSA-N 479.011 4.081 5 40 JIBB COC(=O)c1c(NC(=O)Cc2ccccc2)sc(C(=O)Nc2cccc([N+](=O)[O-])c2)c1C 13424298 PSHGDDFDZOLJJA-UHFFFAOYSA-N 453.476 4.185 5 40 JIBB COc1ccc(NC(=O)CSc2ncnc3c(-c4ccc([N+](=O)[O-])cc4)nsc23)c(OC)c1 13511069 OQDMGPYZYORMHZ-UHFFFAOYSA-N 483.531 4.410 5 40 JIBB COc1ccc(CNC(=O)c2cc([N+](=O)[O-])c(NCc3ccc(OC)cc3)c([N+](=O)[O-])c2)cc1 13944185 BKODHZCZDDGBLW-UHFFFAOYSA-N 466.450 4.062 5 40 JIBB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cc([N+](=O)[O-])ccc1Cl 16384632 NJQYMFCJTDATTN-UHFFFAOYSA-N 488.875 4.230 5 40 JIBB COc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1-c1ccc(CO)o1 20153369 NSPMWOPXYGWLMB-UHFFFAOYSA-N 496.545 4.083 5 40 JIBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccccc1 22429763 ONMQNWXVXUMWRI-QFIPXVFZSA-N 453.520 4.058 5 40 JIBB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)CC1 24753211 MAKKRIVTEXKNHY-OAQYLSRUSA-N 478.542 4.180 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 225212526 QVZJXPHWOJOFMG-IRXDYDNUSA-N 461.559 4.299 5 40 JIBB Cc1ccc(C(=O)N[C@@H](NC(=S)Nc2ccc([N+](=O)[O-])cc2)C(Cl)(Cl)Cl)cc1 4017679 MIBDEOFXNPTGLO-HNNXBMFYSA-N 461.758 4.316 5 40 JIBB COc1ccc(-c2ccc(-c3nc4c(c(=O)[nH]c(=O)n4CC(C)C)n3CC(C)C)o2)c([N+](=O)[O-])c1 13525471 ARHRZKKTLJCILR-UHFFFAOYSA-N 481.509 4.042 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2cccc([N+](=O)[O-])c2)[C@@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 20518867 NPZOYJXUMHPAFJ-DUOVIKOCSA-N 471.538 4.414 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)CN1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 57688685 ODCKKYZVGHSESV-UHFFFAOYSA-N 487.969 4.141 5 40 JIBB Cc1ccc(NC(=O)COC(=O)c2ccc3c(c2)C(=O)N([C@@H](C)c2ccccc2)C3=O)cc1[N+](=O)[O-] 408659501 JWCOLWLSINFJDG-INIZCTEOSA-N 487.468 4.056 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3cccc([N+](=O)[O-])c3)C(=O)[C@H]2C1 408683564 LPTGORBAPDQXLK-UXHICEINSA-N 453.882 4.147 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3[N+](=O)[O-])C(=O)c3ccccc3Cl)C(=O)[C@H]2C1 408688163 VVFQIZNJDDLGOR-HFTRVMKXSA-N 455.898 4.227 5 40 JIBB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(Br)c2)C1=O 409253502 VFTBSNBUJUMESL-GZTJUZNOSA-N 460.284 4.239 5 40 JIBB Cc1ccc(S(=O)(=O)Oc2ccc(-c3nc4sc(C)c(C)c4c(=O)[nH]3)cc2)cc1[N+](=O)[O-] 2124387 LRGSIMYBMIKLLR-UHFFFAOYSA-N 471.516 4.253 5 40 JIBB Cc1cc(NC(=O)COC(=O)[C@H](C)Nc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c([N+](=O)[O-])cc1C 15634891 HYLFPSFMZLWCES-LBPRGKRZSA-N 484.387 4.121 5 40 JIBB O=C(Nc1cc([N+](=O)[O-])ccc1Cl)C1CCN(S(=O)(=O)Cc2c(F)cccc2Cl)CC1 19868707 IDOXCZMZWAVIQL-UHFFFAOYSA-N 490.340 4.221 5 40 JIBB CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)cc1[N+](=O)[O-] 32126936 NKDFEVJWJGPTPO-UHFFFAOYSA-N 466.928 4.392 5 40 JIBB Cc1cc(C(=O)COC(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)c(C)n1C[C@H]1CCCO1 245228382 UFEQBEYRKAIOQE-DYESRHJHSA-N 483.565 4.468 5 40 JIBB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)c1ccc(F)cc1 408653980 QGYQTGUBGWJUCB-IBGZPJMESA-N 462.433 4.180 5 40 JIBB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3CC[C@@H](C3)[C@H]2C1=O 408688437 WIBGXCHUYDAOFD-AFHBHXEDSA-N 488.327 4.490 5 40 JIBB C[C@H](OC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O)C(=O)Nc1cccc([N+](=O)[O-])c1 3294167 BDTLSOVQIQIJLS-ZDUSSCGKSA-N 493.859 4.233 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@@H](c4ccc([N+](=O)[O-])cc4)c4[nH]c5ccccc5c4C[C@@H]3C2=O)cc1 9350645 WSUBWCVVSUMUMN-SQHAQQRYSA-N 480.524 4.270 5 40 JIBB biogenic O=C(Nc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2)cc1)c1cccc([N+](=O)[O-])c1 9391236 RPJKYVPKYYUWKZ-JOCHJYFZSA-N 466.519 4.158 5 40 JIBB biogenic Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccc(F)cc3[N+](=O)[O-])c2n1 9589058 RKQLYQCBFJFORG-UHFFFAOYSA-N 482.251 4.458 5 40 JIBB C[C@H]1CCCN(c2ccc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)cc2[N+](=O)[O-])C1 14462689 SQSOMSMGUZQHNT-ZDUSSCGKSA-N 474.564 4.097 5 40 JIBB CCn1cnc2c(Nc3cccc([N+](=O)[O-])c3)nc(N3CCN(c4ccccc4Cl)CC3)nc21 28629291 UZEVTMYXEIKKDB-UHFFFAOYSA-N 478.944 4.478 5 40 JIBB C[C@H](OC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccc([N+](=O)[O-])cc3)cc2)C1)C(=O)c1ccccc1 408644709 HJMIDEXGPJCEMZ-UWJYYQICSA-N 458.470 4.429 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(SC)c2)C1=O 409163172 MVCXMDQXXOCEDJ-RQZCQDPDSA-N 459.505 4.000 5 40 JIBB O=C1c2cccc3c(Br)c([N+](=O)[O-])cc(c23)C(=O)N1c1ccc(Br)cn1 1421579 SNCKZANKFPEDGB-UHFFFAOYSA-N 477.068 4.469 5 40 JIBB COc1cc2c(cc1OC)[C@@H](COc1ccc([N+](=O)[O-])cc1)N(C(=O)c1cccc([N+](=O)[O-])c1)CC2 2980319 YXVWUBBGMMPRRP-JOCHJYFZSA-N 493.472 4.339 5 40 JIBB Cc1nc2c3c4c(sc3n3c(SCCc5ccccc5)nnc3n2n1)COC(C)(C)C4 9344796 IRIAPMOFTWKDAJ-UHFFFAOYSA-N 450.593 4.481 5 40 JIBB COc1ccc(S(=O)(=O)[C@H](CNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c2cccs2)cc1 9569328 CJUULPDUOOILOH-LJQANCHMSA-N 480.951 4.263 5 40 JIBB COc1ccc(-c2nc(COc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cs2)cc1 13112322 NGSRWWUIAFGAHA-UHFFFAOYSA-N 475.548 4.090 5 40 JIBB O=C(NC[C@H](c1cccs1)S(=O)(=O)c1ccc(Cl)cc1)c1ccc([N+](=O)[O-])cc1 15881998 IDDGRQDZFPFVQW-GOSISDBHSA-N 450.925 4.255 5 40 JIBB Cc1ccccc1CN(C(=O)CSCc1ccc([N+](=O)[O-])cc1)[C@H](C)C(=O)NC(C)(C)C 222677898 KJJMPUSFLFRFFR-GOSISDBHSA-N 457.596 4.468 5 40 JIBB O=C(COC(=O)c1cccc(Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c1)c1cccc([N+](=O)[O-])c1 8449132 LFWRLQGYICFXIA-UHFFFAOYSA-N 466.362 4.195 5 40 JIBB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc([N+](=O)[O-])cc1)NCC1CCCCC1 8943418 YFVCTOJSYKBSFV-UHFFFAOYSA-N 452.536 4.083 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@@H]3[C@@H]2C1=O 9312648 AQFFXOYAXIQCIY-VPBXCIAMSA-N 479.492 4.302 5 40 JIBB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(N3C[C@H](C)C[C@@H](C)C3)c([N+](=O)[O-])c2)c1C 12547083 BPXCDCOJAQLWDU-ZIAGYGMSSA-N 455.511 4.264 5 40 JIBB CCCCCn1/c(=N\C(=O)c2ccc(C)cc2)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21 101162897 KYYYBXLINHMLTE-JVCXMKTPSA-N 486.572 4.374 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N\C(=O)[C@H](CC)c1ccccc1 101176466 NSISZTJMLQESPQ-RHBUKLTISA-N 472.545 4.028 5 40 JIBB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)c1ccc([N+](=O)[O-])cc1)Oc1ccccc1 408737791 OWUXEVGSUPDXCI-HSZRJFAPSA-N 487.468 4.202 5 40 JIBB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(=O)c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)scc12 9381589 NWJOCTADSHZDMB-UHFFFAOYSA-N 498.904 4.438 5 40 JIBB CC1=C(C(=O)Nc2ccc([N+](=O)[O-])cc2)[C@@H](c2ccc(N3CCC(c4ccccc4)=N3)cc2)NC(=O)N1 12564606 YMEUZGHGTCTCRN-RUZDIDTESA-N 496.527 4.476 5 40 JIBB O=C(NCCNc1ccccc1[N+](=O)[O-])c1ccc(COc2cccc(Br)c2)o1 59274810 VFQAQOLQCVPJJK-UHFFFAOYSA-N 460.284 4.371 5 40 JIBB CCOc1ccc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(n2cnc(Br)n2)(C4)C3)c([N+](=O)[O-])c1 102833456 WCNPJMZFAZMTON-SUXCYGLUSA-N 490.358 4.282 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C1=O)N1CCCCC1 205802440 ZVAZBMQCVFFXIT-KGENOOAVSA-N 481.530 4.223 5 40 JIBB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1[N+](=O)[O-])N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1=O 408683764 MBVSCECKVPTWJG-ISZNXKAUSA-N 486.311 4.266 5 40 JIBB COc1ccc([C@@H]2S/C(=C\c3ccc([N+](=O)[O-])cc3)C(=O)N2NC(=O)Cc2ccccc2)cc1 1633759 WLJPFGZFSLROGT-GMPUOFRTSA-N 475.526 4.492 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1cccc(Br)c1 2641354 HACHKPDOAYCCRL-UHFFFAOYSA-N 461.293 4.442 5 40 JIBB COc1ccccc1NS(=O)(=O)c1cccc(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1 9126882 WSQPSBQZQWZBIL-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB CC1=C(C(=O)OC(C)C)[C@H](c2ccncc2)c2c([nH]c(SCc3ccc([N+](=O)[O-])cc3)nc2=O)N1 9393884 XATPYTDNALGDPO-IBGZPJMESA-N 493.545 4.148 5 40 JIBB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1Cc1ccco1 13425372 WXGGPROXLNCTII-UHFFFAOYSA-N 465.491 4.234 5 40 JIBB C[C@@H]1CCC[C@H](NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc([N+](=O)[O-])cc2)[C@@H]1C 15587732 FTYLCGBRXVSMMJ-QINHECLXSA-N 466.563 4.327 5 40 JIBB COc1ccc([C@@H]2c3sc(S)nc3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@@H]32)cc1 16754426 JVDKEMULXKCWNZ-ZMSDIMECSA-N 485.568 4.144 5 40 JIBB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223398129 XDWPGJCZGRAIOT-IBGZPJMESA-N 491.972 4.358 5 40 JIBB COc1cc(Cl)c([C@H](C[N+](=O)[O-])Sc2nnc(C)n2-c2ccc(F)cc2)cc1OC 408572650 RQBSUJNOEAUNKC-SFHVURJKSA-N 452.895 4.496 5 40 JIBB COc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)C2=O)cc1 409215354 ZNTDKITWLFCOTF-SXGWCWSVSA-N 492.307 4.041 5 40 JIBB COc1ccc([N+](=O)[O-])cc1/C=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 409219224 OMOHNGXPWSKHSU-RQZCQDPDSA-N 477.292 4.285 5 40 JIBB COc1ccc(-c2cc([N+](=O)[O-])ccc2OCC(=O)N(C)CC(=O)Nc2ccccc2Cl)cc1 13120694 IZLOGDRLEQHLKJ-UHFFFAOYSA-N 483.908 4.400 5 40 JIBB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc([N+](=O)[O-])cc2Br)c(F)c1F 14275259 ICMCFFPLPZIDTE-UHFFFAOYSA-N 482.209 4.049 5 40 JIBB COc1cccc(N2C(=O)[C@@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4c(F)cccc4Cl)[C@H]3C2=O)c1 102767760 XFTLROUOYLTKNN-BHIFYINESA-N 497.866 4.447 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N/C(=O)c1cccc(C)c1 102921337 ROKBNLOUUOYTQM-QCWLDUFUSA-N 484.556 4.381 5 40 JIBB COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])ccc1OCCSc1cccc2ccccc12 107647939 LIVJUFMEDQTXEA-PKNBQFBNSA-N 491.525 4.475 5 40 JIBB CC[C@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260922522 HDBXRCNIZUUZKE-VGOFRKELSA-N 473.595 4.204 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(OC)cc3)C2=O)[C@@H]1CCC 9240744 MXUQDSQHKAZUFL-NVQXNPDNSA-N 494.548 4.204 5 40 JIBB Cc1c(-c2ccccc2)sc(NC(=O)Cn2cc([N+](=O)[O-])cn2)c1C(=O)N1CCCCC1 28440379 TWQUTZVXYKKTRH-UHFFFAOYSA-N 453.524 4.093 5 40 JIBB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2ccc(N3CCCCCC3)c([N+](=O)[O-])c2)cc1 32958320 MUBMBZHMUQXXNC-UHFFFAOYSA-N 481.597 4.299 5 40 JIBB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCOCC2)cc1C(=O)OC 225770568 SZBNWMCFNBBNGG-INIZCTEOSA-N 456.495 4.246 5 40 JIBB CC(C)OC(=O)c1ccccc1N1C(=O)[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C1=O 408623068 QRWQWLBZGKQTGV-BAWWGMJKSA-N 482.492 4.037 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 409004964 CNTWVCORRSZOKC-UHFFFAOYSA-N 454.508 4.475 5 40 JIBB Cc1c(/C=C2/SC(=O)N(CC(=O)O)C2=O)c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1 409135097 UHRRXESAHAXZEX-VXLYETTFSA-N 451.460 4.027 5 40 JIBB Cc1ccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)C(C)C)cc1 409162619 GLOMJFCQOBPJRQ-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)c1nc3ccccc3nc1n2C[C@@H]1CCCO1 2254919 QIRDOMHXSQTOQG-SFHVURJKSA-N 459.937 4.484 5 40 JIBB O=C(c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)N1CCCc2cc([N+](=O)[O-])ccc21 9591936 XPPNYYBTOMGJDN-UHFFFAOYSA-N 477.970 4.406 5 40 JIBB Cc1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2cccs2)CCC3)cc1[N+](=O)[O-] 12342545 AKAGIXNHXBUXFJ-UHFFFAOYSA-N 457.533 4.359 5 40 JIBB Cn1ccnc1[C@H](Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1[N+](=O)[O-])c1ccc(Cl)cc1 12559224 MSPNOVUEHQLQJM-LJQANCHMSA-N 477.974 4.260 5 40 JIBB COc1ccc(-c2n[nH]c(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2)cc1 13164287 UEEFXQAFWSZGOE-UHFFFAOYSA-N 468.520 4.243 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(CC(C)C)/c1=N\C(=O)c1cc(C)cc(C)c1 101152959 PYPKJLLWMORXCR-JVCXMKTPSA-N 486.572 4.148 5 40 JIBB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cc([N+](=O)[O-])ccc2C)C1 408700716 KTPNQXWPGOLKOG-SFHVURJKSA-N 475.567 4.075 5 40 JIBB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 6135604 IKRMLZTXEDTUAG-UHFFFAOYSA-N 470.555 4.175 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)C1CCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)CC1 10693579 KGNXYRMRDMXSEV-UHFFFAOYSA-N 486.377 4.391 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc([N+](=O)[O-])cc4)[C@@H]3C2=O)cc1 100615817 PXQIWNKHRHOWMU-ZRBLBEILSA-N 459.458 4.045 5 40 JIBB C[C@]1(C(=O)Nc2ccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)cc2)C[C@H]2C=C[C@H]1C2 408710470 KZNXAAOMWOSEIY-NPALWHDTSA-N 459.462 4.438 5 40 JIBB O=C(N[C@@H](OC[C@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1ccc([N+](=O)[O-])cc1 2129601 CYCWZGBHULTEAA-KYJSFNMBSA-N 464.777 4.302 5 40 JIBB Cc1nn(Cc2ccc(C(=O)Nc3sc4c(c3C(=O)OC(C)C)CCC4)o2)c(C)c1[N+](=O)[O-] 2487629 DMORMEJKCAWOAA-UHFFFAOYSA-N 472.523 4.417 5 40 JIBB O=C(COC(=O)c1ccccc1Sc1ccc(C(F)(F)F)cc1[N+](=O)[O-])NC[C@H]1CCCO1 9612430 PGZXTQQHSNWOEB-CQSZACIVSA-N 484.452 4.217 5 40 JIBB CCC[C@@H](C)NC(=O)CN(c1cc(Cl)ccc1OC)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 19856715 HGDKIXHBJXPJHU-OAHLLOKOSA-N 483.974 4.065 5 40 JIBB O=[N+]([O-])c1cccc(OC[C@H](O)CN2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)c1 96125821 SOKTVMLAXPZXTQ-XMMPIXPASA-N 483.515 4.020 5 40 JIBB O=C(COc1ccc(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)cc1)N1CCCCC1 225506179 MACCQNNEQPEJBE-UHFFFAOYSA-N 451.523 4.437 5 40 JIBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1OC 248126336 GGDLLVHIXFVNHN-FQUZAXHOSA-N 457.486 4.089 5 40 JIBB CN1C[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)[C@@H]([N+](=O)[O-])[C@@]12C(=O)Nc1ccccc12 408568215 SIHRXNMGQOZLJN-XRODADMRSA-N 463.921 4.441 5 40 JIBB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 8901484 RHRIONJSLNPHCS-UHFFFAOYSA-N 499.571 4.410 5 40 JIBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(Cl)c([N+](=O)[O-])c4)c3)nn12 10010267 LTLRSEMBWVGOGK-UHFFFAOYSA-N 458.887 4.238 5 40 JIBB O=C(COC(=O)COc1ccccc1Cc1ccccc1)Nc1cc(Cl)ccc1[N+](=O)[O-] 12530363 CUBMHIPMEUHACO-UHFFFAOYSA-N 454.866 4.400 5 40 JIBB C[C@H](NC(=O)c1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1)c1ccccc1 12768669 UNFXUWYJZAFODX-WMZOPIPTSA-N 490.491 4.217 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc([N+](=O)[O-])c(N3CCCCC3)c2)CC1)c1ccc(Cl)cc1 14273748 KRYAKFDXBSTQAF-UHFFFAOYSA-N 488.013 4.075 5 40 JIBB Cc1cc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)ccc1-c1ccc(CO)o1 20153190 MDYLBHOBPMNZRW-UHFFFAOYSA-N 480.546 4.383 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N\C(=O)c1ccc(C)c(C)c1 101134602 FJPBQOIXSDQSDI-OLFWJLLRSA-N 472.545 4.073 5 40 JIBB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 225636305 MYGYLGNVEITQRX-OXQOHEQNSA-N 491.972 4.358 5 40 JIBB C[C@@H]1CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408685648 PQKDUWCFRHBIRL-UWWQBHOKSA-N 455.898 4.227 5 40 JIBB COc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1 409026551 SAAVFMSGNIGJMP-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OC)c2)C1=O 409241371 RYRLKHNTDHXRNQ-DEDYPNTBSA-N 458.492 4.255 5 40 JIBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc([N+](=O)[O-])cc4Cl)c3)nn12 10010271 GHWNZFBRDLUXKY-UHFFFAOYSA-N 458.887 4.238 5 40 JIBB CCc1nc2sc([C@@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4ccccc4F)CC3)c(O)n2n1 22854837 JJSJFBDXCFGGLQ-HXUWFJFHSA-N 482.541 4.018 5 40 JIBB CN1C[C@@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccnc2)[C@]12C(=O)Nc1c(C(F)(F)F)cccc12 35883584 UOKYZKHVSLYFKN-WPSZSDGUSA-N 496.445 4.384 5 40 JIBB COc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)cc1 408645013 JAXOZHYSDMXEPS-UHFFFAOYSA-N 493.472 4.296 5 40 JIBB Cc1csc(Sc2ccc(C(=O)OCC(=O)Nc3ccc4c(c3)OCO4)cc2[N+](=O)[O-])n1 3280821 XZBYKZNTXNLLNQ-UHFFFAOYSA-N 473.488 4.035 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N(CC(=O)Nc1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 10332778 NMIFVGAVWQDEKR-UHFFFAOYSA-N 466.730 4.268 5 40 JIBB CCOC(=O)c1ccc(N2CCN(CC)CC2)c(NC(=O)/C=C/c2ccc(Cl)c([N+](=O)[O-])c2)c1 20608880 FCJRZSLHJKKVFS-UXBLZVDNSA-N 486.956 4.219 5 40 JIBB O=C(c1ccccc1)N1CCN(Cc2nc3cc([N+](=O)[O-])ccc3n2-c2ccc(F)cc2)CC1 29119016 AHVVOLMGFQYIJQ-UHFFFAOYSA-N 459.481 4.031 5 40 JIBB CN(C)CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223251334 RYISJFALVIZEBW-FGZHOGPDSA-N 451.552 4.174 5 40 JIBB O=[N+]([O-])c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)o1 260914663 GVVBNLUMRDLSCX-KBJGYGKASA-N 450.520 4.401 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2)cc1Cl 408596591 WWSZGAJKOBXZET-UHFFFAOYSA-N 475.910 4.375 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C1=O 408918896 QHVSHVYIIDINKG-NFJKTXFASA-N 460.873 4.351 5 40 JIBB CC[C@@H](c1nnc(Nc2ccn(Cc3c(F)cccc3Cl)n2)s1)n1cc([N+](=O)[O-])cn1 2730152 TUSRQVSHDZIVAZ-HNNXBMFYSA-N 462.898 4.423 5 40 JIBB COc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2[N+](=O)[O-])cc1 9391302 DUROIRICWIGFOM-HSZRJFAPSA-N 478.501 4.439 5 40 JIBB COc1ccc(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c([N+](=O)[O-])c1 10992722 JMHNTDXVQQCQQQ-UHFFFAOYSA-N 460.446 4.046 5 40 JIBB Cc1csc(Sc2ccc(C(=O)O[C@@H](C)C(=O)NCc3ccccc3)cc2[N+](=O)[O-])n1 12589310 VWMUJIGNXUAISW-AWEZNQCLSA-N 457.533 4.373 5 40 JIBB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 14270374 KZQBNDRNJYUQLA-UHFFFAOYSA-N 455.323 4.334 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3cccc(F)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12 20131450 ZOCSCFCHXRISLO-KIHHCIJBSA-N 483.455 4.132 5 40 JIBB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2ccc([N+](=O)[O-])cc2)n2c1nc1ccccc12 20675665 VPENBNZRDJUFPS-NHCUHLMSSA-N 450.495 4.250 5 40 JIBB O=C(c1ccc(-n2ccnc2)c([N+](=O)[O-])c1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 32478168 ULNIPNLLMGIFPQ-UHFFFAOYSA-N 467.529 4.328 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@@H](NC[C@@H]1COc2ccccc2O1)c1ccccc1 58164491 HBFCWCPWFPIVTR-VGSWGCGISA-N 453.882 4.358 5 40 JIBB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224312657 LGNIVZRMAMKEQJ-HXUWFJFHSA-N 463.987 4.425 5 40 JIBB COC(=O)C(=Cc1ccc(Oc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c(OC)c1)C(=O)OC 409080287 MSQCXXFBYLWJME-UHFFFAOYSA-N 455.341 4.144 5 40 JIBB Cc1cccc(C(=O)N[C@H](c2nnc(SCC(=O)Nc3ccc([N+](=O)[O-])cc3C)n2C)C(C)C)c1 409169346 PPRPMRMSHCUOOQ-NRFANRHFSA-N 496.593 4.198 5 40 JIBB COc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8396700 CHRMELFNKQMGQA-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(N2CCOCC2)c([N+](=O)[O-])c1 9963097 UTRZJWHMKQMJTC-IRXDYDNUSA-N 455.511 4.129 5 40 JIBB COc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 20153184 QIYNOHUYTDZXIO-UHFFFAOYSA-N 496.545 4.083 5 40 JIBB O=C(Nc1ccc(N2CCNCC2)c([N+](=O)[O-])c1)c1sc2c([N+](=O)[O-])cccc2c1Cl 20154206 JRIJSNTVGOHJEC-UHFFFAOYSA-N 461.887 4.033 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccc(SCCO)c([N+](=O)[O-])c2)C1=O)Nc1ccc(Cl)cc1 32124920 PIIJLEXUIHRMLY-YVLHZVERSA-N 493.950 4.008 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H](c2ccccc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 35851907 MRLJKSAARPAOIB-QTZVNIFKSA-N 471.538 4.414 5 40 JIBB O[C@H](COC[C@@H]1COc2ccccc2O1)C[N+]1(Cc2cccc(Oc3ccccc3)c2)CCOCC1 3171180 ZNLWJUXDWGDGPH-RPLLCQBOSA-N 492.592 4.043 5 40 JIBB Cc1ccc(N2C[C@H](C(=O)OCC(=O)c3ccc(Oc4ccc([N+](=O)[O-])cc4)cc3)CC2=O)cc1 8927264 FJNPMGVSDDRRJD-LJQANCHMSA-N 474.469 4.475 5 40 JIBB CCCC(=O)N(c1ccc2oc(C)c(C(=O)OC)c2c1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 9030710 AEPUHPFHSPEUMY-UHFFFAOYSA-N 474.491 4.266 5 40 JIBB COc1cc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 9540047 NKRNGFRDXPKNBM-XMMPIXPASA-N 488.500 4.449 5 40 JIBB O=C(Nc1nc2ccc([N+](=O)[O-])cc2s1)c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 9714921 WMJNIYSBMAEPAP-UHFFFAOYSA-N 472.479 4.397 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 14154898 KVQFXUTXXOZYMN-UHFFFAOYSA-N 466.730 4.268 5 40 JIBB CSc1ccccc1NC(=O)CN(c1ccccc1[N+](=O)[O-])S(=O)(=O)c1ccccc1 14412107 HWRSNTVVMVNNGA-UHFFFAOYSA-N 457.533 4.151 5 40 JIBB O=C(O)CCCCCNC(=O)c1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1 28630842 HAKKVJHTMKXGOT-UHFFFAOYSA-N 489.480 4.343 5 40 JIBB in-vitro O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)[C@@H]2CSCN2[C@]12C(=O)Nc1ccccc12 43729606 MRLJKSAARPAOIB-LNEBKTTKSA-N 471.538 4.414 5 40 JIBB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@H](C(=O)c2cccc([N+](=O)[O-])c2)N2C=Cc4ccccc4[C@@H]32)cc1 248113836 OWGVCJCUKNFNLY-FQUZAXHOSA-N 479.492 4.302 5 40 JIBB O=C(N[C@@H](OC[C@H]1CCCN2CCCC[C@H]12)C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1 2140431 JKQCVFYUZYSNEZ-KYJSFNMBSA-N 464.777 4.302 5 40 JIBB CCOC(=O)C1=C(C)N=C2SCC(=O)N2[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 6544950 FKCBVYMNDHGFMJ-SFHVURJKSA-N 461.883 4.331 5 40 JIBB COCCCN(C(=O)c1ccc([N+](=O)[O-])cc1)c1nc(-c2cc(OC)ccc2OC)cs1 6904367 RBRFBVVGKDVRQF-UHFFFAOYSA-N 457.508 4.419 5 40 JIBB COc1ccc(CCN2C(=O)[C@H](Oc3cccc([N+](=O)[O-])c3)[C@H]2c2cccc(OC)c2OC)cc1 48288859 VWKISBAGGMTQLY-ILBGXUMGSA-N 478.501 4.194 5 40 JIBB Cc1ccc(N2C[C@@H](C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1[N+](=O)[O-] 408673317 ZXCYVHYRJWJVSO-LBPRGKRZSA-N 499.829 4.110 5 40 JIBB O=C1OC(c2ccc([N+](=O)[O-])cc2)=N/C1=C/c1ccccc1OC(=O)c1ccc([N+](=O)[O-])cc1 408843400 METTUEMHRDLJBD-CPNJWEJPSA-N 459.370 4.067 5 40 JIBB COCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2318007 WPFZAQUDFANULJ-UHFFFAOYSA-N 464.323 4.083 5 40 JIBB COc1ccc([N+](=O)[O-])cc1C(=O)N1CCN(c2nnc(-c3ccc(C)cc3)c3ccccc23)CC1 9311980 JIRCYJFJZREICY-UHFFFAOYSA-N 483.528 4.484 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)cc1 15439141 MOXOZDMFALMDGV-UHFFFAOYSA-N 461.883 4.310 5 40 JIBB Cc1nc2sc([C@H](c3ccc([N+](=O)[O-])cc3)N3CCN(c4cccc(Cl)c4)CC3)c(O)n2n1 23157657 NHEMWABKNCAYPE-IBGZPJMESA-N 484.969 4.278 5 40 JIBB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1C 59176405 IXKYUCBDTZEJBP-UHFFFAOYSA-N 455.540 4.441 5 40 JIBB COc1ccc(Cl)cc1NC(=O)c1cccc(N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)c1 408668273 DDPNIHSPQNEGHZ-UHFFFAOYSA-N 451.822 4.310 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 408702843 HUGPKNQYUQFVAG-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB CCOc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccccc2)cc1 409318134 XHTZQDLUSSDALX-UHFFFAOYSA-N 469.519 4.136 5 40 JIBB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2)c1C 2617394 CASVHUFCJMTIJR-UHFFFAOYSA-N 474.560 4.462 5 40 JIBB CCOC(=O)CN1C(=O)S/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C1=O 8722225 ZPFVBAXBVXZCTB-RGVLZGJSSA-N 465.487 4.197 5 40 JIBB COc1ccc([C@H]2[C@@H](C(=O)c3ccccc3)N3N=Cc4ccccc4[C@H]3[C@@H]2[N+](=O)[O-])cc1OC 8972042 GGDLLVHIXFVNHN-RCTAOEEJSA-N 457.486 4.089 5 40 JIBB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1 9062073 VQEDRDMYRKVKFB-UHFFFAOYSA-N 474.389 4.058 5 40 JIBB CCCOC(=O)c1ccc(N2CCOCC2)c(NC(=O)C2(c3ccc([N+](=O)[O-])cc3)CCCC2)c1 10372865 ZHNWXSJQENIIQF-UHFFFAOYSA-N 481.549 4.449 5 40 JIBB C[C@@H](c1nc2ccccc2s1)N1CCN(C(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)CC1 23918619 XVNURMXNTNGQOF-KRWDZBQOSA-N 465.579 4.324 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)s3)c2)cc1 39759735 WTTJNNPJIHTVQG-UHFFFAOYSA-N 495.542 4.475 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@H](c2ccccc2)[C@H]2CSCN2[C@]12C(=O)Nc1ccccc12 43729608 MRLJKSAARPAOIB-ONJIFJTESA-N 471.538 4.414 5 40 JIBB COc1ccc(C(=O)N2CCc3ccc(NC(=O)C4(c5ccc([N+](=O)[O-])cc5)CC4)cc32)cc1 225989885 RECIRBOAOLEUAM-UHFFFAOYSA-N 457.486 4.477 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccccc2)cc1 408979510 MNHZGCFMSWGRKE-JOCHJYFZSA-N 453.520 4.260 5 40 JIBB O=C(CSc1nc2ccc(N3C(=O)c4cccc([N+](=O)[O-])c4C3=O)cc2s1)Nc1nccs1 408980951 GUCLKXVOWLCYMG-UHFFFAOYSA-N 497.539 4.192 5 40 JIBB CC(=O)Oc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1[N+](=O)[O-] 409047933 QCAFCTHJPSKLTG-FGEXJBCWSA-N 488.883 4.267 5 40 JIBB Cc1cccc(C(=O)N[C@@H](c2nnc(SCC(=O)Nc3cc([N+](=O)[O-])ccc3C)n2C)C(C)C)c1 409059793 OLHURFISQIWDQH-OAQYLSRUSA-N 496.593 4.198 5 40 JIBB CCc1ccccc1NC(=O)CSc1n[nH]c([C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(C)C)n1 409156994 VCSKPUMKPBGFDM-HXUWFJFHSA-N 482.566 4.133 5 40 JIBB CC1(C)Cc2c(c(N3CCCC3)nc3sc(C(=O)Nc4ccccc4[N+](=O)[O-])c(N)c23)CO1 9334755 OVDQOHWWNIBZCH-UHFFFAOYSA-N 467.551 4.491 5 40 JIBB Cc1cc2sc(NC(=S)NC(=O)c3cc([N+](=O)[O-])ccc3N3CCOCC3)nc2cc1Cl 22750131 GXQRVPVGSXUSLY-UHFFFAOYSA-N 491.982 4.130 5 40 JIBB COc1ccc(CSCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1[N+](=O)[O-] 40073513 HNEPMGAWLWBMGM-UHFFFAOYSA-N 467.551 4.460 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1cccc(C(F)(F)F)c1 102920976 XRMRBWGRRFSCNG-MWAVMZGNSA-N 498.461 4.167 5 40 JIBB CC[C@@H](C(=O)N[C@@H]1CC(CC)(CC)Oc2ccccc21)N(c1cccc([N+](=O)[O-])c1)S(C)(=O)=O 223416261 CHSIFAJCIWPABX-RTWAWAEBSA-N 489.594 4.338 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)c3cc(Br)ccc3Cl)CC2)c([N+](=O)[O-])c1 408572148 GYLSEVFCAYFOBL-UHFFFAOYSA-N 496.745 4.150 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 409269437 JOGQHWGBGBCGOL-UHFFFAOYSA-N 459.911 4.391 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N1CC[C@H](Oc2ccc(Cl)c(Cl)c2)C1 1642254131 CYEVTIGQHRPRKI-DOMZBBRYSA-N 454.310 4.391 5 40 JIBB CC(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12 8974854 WVFGNIMBQFZYTP-YKKMPQLRSA-N 479.492 4.157 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NC(=O)CN(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 14135508 YCXDAISXCYUKET-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB C[C@@H]1CCCN(c2ccc(C(=O)N3CCC[C@H](C(=O)Nc4ccccc4)C3)cc2[N+](=O)[O-])C1 36008106 OTJFYOGLOGFXQD-QUCCMNQESA-N 450.539 4.322 5 40 JIBB CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc([N+](=O)[O-])cc2)C1=O 2113017 KRBAVGGTTWGTMO-WIOPSUGQSA-N 460.534 4.341 5 40 JIBB biogenic COc1ccccc1NC(=O)c1ccc(NC(=O)COC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1 2639397 MVAUGDLNEYQUOF-UHFFFAOYSA-N 483.864 4.305 5 40 JIBB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CSc1ccc(C(F)(F)F)cc1[N+](=O)[O-] 3451037 DALBSQGZXWMUND-UHFFFAOYSA-N 474.413 4.148 5 40 JIBB Cc1ccc(C(=O)NC(=S)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1[N+](=O)[O-] 8896596 HITPCSSKRBNUPP-ZDUSSCGKSA-N 474.608 4.341 5 40 JIBB CCOc1ccc(NC(=O)COc2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)c([N+](=O)[O-])c1 9434034 QTLHBMLREKYNBR-UHFFFAOYSA-N 499.545 4.145 5 40 JIBB Cc1c(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)cccc1-c1nc2ncccc2o1 22566859 AJVQADGZJRRMGG-UHFFFAOYSA-N 459.462 4.195 5 40 JIBB COc1ccc(S(=O)(=O)Oc2cc(C)nn2-c2cc(Cl)ccc2Cl)cc1[N+](=O)[O-] 35686169 FJTVZAUMENBOSS-UHFFFAOYSA-N 458.279 4.172 5 40 JIBB Cc1cccn2c(=O)c3cc(C(=O)NCc4ccccc4Cl)c(=N)n(CCc4ccccc4)c3nc12 101097975 LIPAFOGDCMXFCB-UHFFFAOYSA-N 497.986 4.263 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@H]2[C@@H]2c3ccccc3C=CN12 247310965 IPWIVXRFWXSEAS-LWSSLDFYSA-N 483.455 4.132 5 40 JIBB COc1ccc(CCNC(=O)c2ccccc2NC(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1OC 408564603 YEOZZBFBGSTKEK-UHFFFAOYSA-N 463.490 4.145 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 409138642 FXFIETGYQROHMZ-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB Cc1ccc(NC(=O)CSc2nnc3n4ncnc4c4c5c(sc4n23)CC[C@@H](C)C5)cc1 2238594 VOOMITAYTBUIRX-CYBMUJFWSA-N 463.592 4.151 5 40 JIBB Cc1cc(C(=O)COC(=O)/C=C/c2ccccc2[N+](=O)[O-])c(C)n1C[C@H]1COc2ccccc2O1 2636315 WVGLSUSQCATAOZ-SGWGQVFISA-N 476.485 4.292 5 40 JIBB COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccc([N+](=O)[O-])cc4[nH]3)cc2)cc1 3304305 PVSGRSYYXMECSV-UHFFFAOYSA-N 477.502 4.463 5 40 JIBB Cc1c([C@@H](c2ccccc2[N+](=O)[O-])c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C 4147970 VLGPPIPHLRXALI-HSZRJFAPSA-N 483.480 4.385 5 40 JIBB CC(C)(C)OC(=O)COc1cc(OCC(=O)OC(C)(C)C)c2c(=O)c3ccccc3oc2c1 9242820 CWSCMXQXPQECLR-UHFFFAOYSA-N 456.491 4.387 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)[C@@H]1CCC 9510637 YAWCTUFQIZDGAG-SQJMNOBHSA-N 482.512 4.335 5 40 JIBB Cn1c(Cn2c3ccccc3c(=O)c3ccccc32)nnc1SCC(=O)Nc1ccccc1F 12427817 FJVFCZYAPBXPMX-UHFFFAOYSA-N 473.533 4.201 5 40 JIBB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 12562666 JFKQYGINICFQHN-CQSZACIVSA-N 499.511 4.111 5 40 JIBB CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)NC(c1ccccc1)c1ccccc1 89493510 FKNFPKYWUPWJRK-QFIPXVFZSA-N 463.559 4.352 5 40 JIBB COc1ccc(C(=O)[C@H]2[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=CN32)cc1 103516747 ARROASCPBJVBSE-CXSMSNRLSA-N 495.491 4.002 5 40 JIBB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1ccc([N+](=O)[O-])cc1 223089013 HIBRNLCWPGBILW-IRXDYDNUSA-N 461.559 4.299 5 40 JIBB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 225354510 JHAZXDHTYNXYIC-HSZRJFAPSA-N 451.567 4.436 5 40 JIBB COc1ccc([C@H]2[C@H]([N+](=O)[O-])[C@@H]3c4ccccc4C=NN3[C@H]2C(=O)c2ccccc2)cc1OC 248126340 GGDLLVHIXFVNHN-OJJQZRKESA-N 457.486 4.089 5 40 JIBB COc1cc([N+](=O)[O-])ccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O 408639609 GFWAQMXMYZVCNJ-LLVKDONJSA-N 482.718 4.319 5 40 JIBB COc1cc(C(=O)O[C@H](C)C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c([N+](=O)[O-])cc1OC 3527848 GELDARKDZNQHFA-SNVBAGLBSA-N 493.444 4.198 5 40 JIBB COC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)Nc2ccccc2F)c1C 8445749 UQAPDAMYSVIMSI-UHFFFAOYSA-N 457.439 4.395 5 40 JIBB C[C@@H](Oc1ccc2c(c1)c1ccnc3c4ccccc4c(=O)n2c13)C(=O)NCc1ccc2c(c1)OCO2 8792436 DUVFAELAGKYFPI-MRXNPFEDSA-N 491.503 4.404 5 40 JIBB biogenic C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1 9140323 RXKLAROGSLBTPD-HUUCEWRRSA-N 458.898 4.426 5 40 JIBB COc1cc([N+](=O)[O-])cc2sc(NC(=O)c3cccc(I)c3)nc12 10010545 FUHPGMGKCAFQLU-UHFFFAOYSA-N 455.233 4.070 5 40 JIBB C[C@H]1C[C@@H](C)CN(c2ccc(C(=O)OCC(=O)N[C@@H]3CCCc4ccccc43)cc2[N+](=O)[O-])C1 12640838 VLTGEVJITMKZCE-KGVIQGDOSA-N 465.550 4.428 5 40 JIBB aggregator CCOc1ccc(C(=O)NC(=S)Nc2ccc(Cc3c(C)n[nH]c3C)cc2)cc1[N+](=O)[O-] 14269209 UYSUKZLTQSABGW-UHFFFAOYSA-N 453.524 4.051 5 40 JIBB Cc1cc([N+](=O)[O-])ccc1N1C(=O)[C@H]2[C@@H](C(=O)c3ccccc3)N3C=Cc4ccccc4[C@H]3[C@@H]2C1=O 34849561 AQFFXOYAXIQCIY-NGSHPTGOSA-N 479.492 4.302 5 40 JIBB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc([N+](=O)[O-])cc3)C2)ccc(Br)c1Cl 408644253 SFYUAYYVRSOACV-LLVKDONJSA-N 452.692 4.311 5 40 JIBB O=C(c1ccc([N+](=O)[O-])cc1)N(Cc1ccc(Cl)c(Cl)c1)N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1 408686619 SEZDJTVZUTUROZ-SLUIBLPYSA-N 486.311 4.266 5 40 JIBB CCN(CC)CCN(C(=O)c1ccc([N+](=O)[O-])o1)c1nc2c(OC)ccc(Cl)c2s1 12345264 BPEMFENXHJVGBC-UHFFFAOYSA-N 452.920 4.448 5 40 JIBB COc1ccc(CN(C)C(=O)C2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)cc1 12554864 MBXSRVJMABAHDS-UHFFFAOYSA-N 451.445 4.497 5 40 JIBB C[C@@H](Nc1ccc([N+](=O)[O-])cc1S(=O)(=O)N1CCOCC1)c1ccc(Cl)c(Cl)c1 12754960 DKHHUEDQLGBUMO-GFCCVEGCSA-N 460.339 4.096 5 40 JIBB Cn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1cc([N+](=O)[O-])ccc1Cl 13841797 HIPNYYGLRDCBSQ-UHFFFAOYSA-N 468.322 4.340 5 40 JIBB Cc1cccn2c(=O)c3cc(C(=O)N[C@H](C)c4ccccc4)c(=N)n(Cc4ccc(F)cc4)c3nc12 101152473 FFUKQAJEVRSNDJ-GOSISDBHSA-N 481.531 4.115 5 40 JIBB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3[N+](=O)[O-])C2=O)cc1OCC 106726771 ZJFHGLIJPBBGOC-NDENLUEZSA-N 486.502 4.172 5 40 JIBB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 224518608 VDNKWNIDLCIUFR-JOCHJYFZSA-N 457.596 4.408 5 40 JIBB CCOC(=O)c1ccc(N2CCN(C(=O)/C=C/c3ccc(-c4ccccc4)o3)CC2)c([N+](=O)[O-])c1 408572506 IVCNVFQQYOEGFD-JLHYYAGUSA-N 475.501 4.394 5 40 JIBB COc1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)S/C(=C\c2cccc([N+](=O)[O-])c2)C1=O 408868324 LYAKKDBKRZPQRY-PXNMLYILSA-N 481.408 4.297 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)c1ccc2c(c1)C(=O)N(c1ccc(I)cc1)C2=O 725904 VDSPNAJGQQGFQB-UHFFFAOYSA-N 498.232 4.231 5 40 JIBB Cc1cc(C)cc(-n2c(SCC(=O)Nc3cccc([N+](=O)[O-])c3)nc3c(c2=O)SCC3)c1 9602776 YGYMATRJWCVOQO-UHFFFAOYSA-N 468.560 4.137 5 40 JIBB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1ccc(OC)c([N+](=O)[O-])c1 13016898 NOLUPOWVQDSXEN-UHFFFAOYSA-N 484.486 4.304 5 40 JIBB Cc1c(NC(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)cccc1[N+](=O)[O-] 13113100 XILRNCRMYQLRKR-MQVJKMGUSA-N 450.582 4.388 5 40 JIBB COc1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1NC(=O)c1cccs1 14271179 BBNXQNSEBYLVIS-UHFFFAOYSA-N 456.505 4.044 5 40 JIBB CCCOc1ccc(N2C(=O)[C@H]3ON(c4cccc([N+](=O)[O-])c4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 101165426 NMSXMQASPHSVCT-SGNDLWITSA-N 473.485 4.435 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)NC(=O)N(CCCC(C)C)C2=O)[C@H]1CCC 102770672 BJPAWWLVUIONIF-PXDATVDWSA-N 472.586 4.427 5 40 JIBB O=C(CSc1nnc(COc2ccccc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474820 OINRTEQLWYJWOY-UHFFFAOYSA-N 461.503 4.485 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)cc2)n1C 9119482 KXXFMIMGEJPOQI-GFCCVEGCSA-N 477.930 4.084 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)OC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 9222410 OFDWZDJYVQXAHW-WZYMTQMTSA-N 480.608 4.476 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(O)c2)ccc1Cl 16778266 FUOSOYKATLCLCT-UHFFFAOYSA-N 471.882 4.441 5 40 JIBB COc1ccc(Cl)cc1N(CC(=O)N(C)C1CCCC1)S(=O)(=O)c1ccc(C)c([N+](=O)[O-])c1 20481510 KJNVMFGDHLABJH-UHFFFAOYSA-N 495.985 4.162 5 40 JIBB C[C@]1(c2ccc([N+](=O)[O-])cc2)NC(=O)N(CCC(=O)Nc2ccccc2-c2ccccc2)C1=O 40024991 MZXLWFCXBXGCKL-RUZDIDTESA-N 458.474 4.058 5 40 JIBB COC1(OC)[C@@]2(Cl)C(Cl)=C(Cl)[C@@]1(Cl)[C@@H](C(C)=O)[C@H]2C(=O)Nc1ccc([N+](=O)[O-])cc1 100539712 NSPDSWZRWYILBS-SYWGBEHUSA-N 498.146 4.015 5 40 JIBB CCOc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 101177458 ZNSABAHOLSKQRR-ZLNRFVROSA-N 459.458 4.045 5 40 JIBB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])c(OC)c1 223353724 GBTURRISSDNOQQ-LJQANCHMSA-N 491.972 4.358 5 40 JIBB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)N(c2cc([N+](=O)[O-])ccc2C)S(C)(=O)=O)cc1C(C)C 223360643 BOYFJEGWDHZJCR-ZWKOTPCHSA-N 491.610 4.376 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@H]2c3ccccc3C=CN12 247331232 OVSIARYNMALIOU-YCAMKHIRSA-N 483.455 4.132 5 40 JIBB C[C@@H](C(=O)c1ccc(Cl)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)N1C(=O)[C@H]2CC[C@@H](C)C[C@@H]2C1=O 408649935 LUSQKYHYBWAENE-UFNANVBGSA-N 497.935 4.298 5 40 JIBB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2)Cc2ccccc2)c(C)c1 409059995 UCHHFYVCFOBXMI-UHFFFAOYSA-N 467.547 4.350 5 40 JIBB COc1ccc(Cn2c3nc4ccccc4nc3c3c(=O)n(CCCOC(C)C)cnc32)cc1 2417345 AZNIHUVWMIXHDO-UHFFFAOYSA-N 457.534 4.166 5 40 JIBB O=C(NC(=S)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1)c1ccc2ccccc2c1 9064501 LVILDMPSEDZKQK-UHFFFAOYSA-N 454.939 4.238 5 40 JIBB Cc1ccccc1-n1nnnc1S[C@@H](C)C(=O)Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1 13137901 NCLSLWKKXPDHHQ-ZDUSSCGKSA-N 467.536 4.122 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccco2)[C@]12C(=O)Nc1ccc(Cl)cc12 13591079 LHWAUNQNILQLOD-NIJIEXERSA-N 451.866 4.217 5 40 JIBB O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1c1cccc(-c2nc3ccc(Br)cc3c(=O)o2)c1 13955048 DGSCRBQZJGMQFG-UHFFFAOYSA-N 492.241 4.326 5 40 JIBB CCOC(=O)[C@@H]1[C@@H]2C(=O)N(c3cc([N+](=O)[O-])ccc3C)C(=O)[C@@H]2[C@@H]2C=Cc3c(ccc4ccccc34)N21 230093595 IUNUTYSLFQQAGK-QVQNZMNRSA-N 497.507 4.009 5 40 JIBB CCn1c(SCC(=O)Nc2cccc([N+](=O)[O-])c2)nnc1-c1ccccc1Br 907391 ZZQKBTYPCCITHB-UHFFFAOYSA-N 462.329 4.367 5 40 JIBB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2[N+](=O)[O-])C1=O 102761492 WGZWDBGGJLQTEJ-RJGXRXQPSA-N 459.458 4.045 5 40 JIBB Cn1c2c(c(=O)n(C)c1=O)[C@H](c1c3ccccc3cc3ccccc13)[C@@H]1C(=O)c3ccccc3C1=N2 408733031 DGNPATRZNTUZHU-RPWUZVMVSA-N 471.516 4.469 5 40 JIBB O=C(NCc1ccc(Cl)cc1)c1c2nc3ccccc3nc2n2c1[nH]c(=O)c1ccccc12 6143831 SEFWRXDTVODXFN-UHFFFAOYSA-N 453.889 4.461 5 40 JIBB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(N2CCCC2)c([N+](=O)[O-])c1 9064934 FETXVPJTYYGZIV-UHFFFAOYSA-N 455.323 4.334 5 40 JIBB CC(C)Cn1c(SCc2ccc([N+](=O)[O-])cc2)nc2cc(C(=O)NC(C)C)ccc2c1=O 12415047 IWRTVBHUHQSKNP-UHFFFAOYSA-N 454.552 4.391 5 40 JIBB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3cccc4nc5ccccc5nc34)cc2)c1C 33479165 GYBWZPQUVGQCFM-UHFFFAOYSA-N 473.514 4.441 5 40 JIBB CN(C)CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 223251169 RYISJFALVIZEBW-VXKWHMMOSA-N 451.552 4.174 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)c2ccc(F)cc2)cc1 408548469 SGEMHNSVEBBXHA-UHFFFAOYSA-N 487.509 4.275 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1F 408566693 OKYFVAKWFIQCCZ-BYGVMDBSSA-N 491.519 4.325 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc(Cl)cc3)C(=O)c3ccc([N+](=O)[O-])cc3)C(=O)[C@@H]2C1 408680804 GTJWKEXARSAFGF-WOJBJXKFSA-N 453.882 4.147 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409147671 NFNVRSRRUDISQZ-OAQYLSRUSA-N 496.593 4.373 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cccn3-c3cccc([N+](=O)[O-])c3)C2=O)cc1 409157666 WGBJEKSSTNEKNU-MOSHPQCFSA-N 462.487 4.369 5 40 JIBB O=[N+]([O-])c1c(O)nc(O)nc1/C=C\c1c(Oc2nc(Cl)ncc2F)ccc2ccccc12 409333928 KJWRZYYQOSZVSX-SREVYHEPSA-N 455.789 4.494 5 40 JIBB COc1ccc(N(CC(=O)Nc2cc([N+](=O)[O-])ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 19856535 JIDXASGXGLARHK-UHFFFAOYSA-N 469.519 4.054 5 40 JIBB CCOC(=O)c1c(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc(C(=O)N(CC)CC)c1C 20608576 SBKKBEHSLWXMGO-VAWYXSNFSA-N 459.524 4.275 5 40 JIBB COc1ccc(C(=O)C[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)S(=O)(=O)c2ccc(C)cc2)cc1 408682126 IXSVWVOTOIJPIW-QHCPKHFHSA-N 467.499 4.210 5 40 JIBB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(OC)c2)C1=O 409015483 ZWMMGGQOQCRZEA-MQMKENTISA-N 486.502 4.170 5 40 JIBB CCc1nnc(NC(=O)CSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2-c2ccc(C)cc2)s1 2072172 DGWVNXURNGUKCE-UHFFFAOYSA-N 481.563 4.296 5 40 JIBB COc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 8396717 BSRMDHTYDXJXRQ-UHFFFAOYSA-N 483.546 4.363 5 40 JIBB CS(=O)(=O)Nc1cccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc([N+](=O)[O-])c2)c1 9352295 WUQTVPXIKHLBIZ-FYYLOGMGSA-N 464.503 4.209 5 40 JIBB O=c1/c(=C\c2cccc([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 59678018 SQURCHUCWJGZML-XXMKCSCWSA-N 483.524 4.366 5 40 JIBB COC(=O)CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2[N+](=O)[O-])o1 223736643 ZTBWACHKXKWOCZ-YADHBBJMSA-N 466.519 4.176 5 40 JIBB CCOc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc([N+](=O)[O-])c1O 409329311 DMZRNSBZEQNDPY-ODLFYWEKSA-N 485.518 4.498 5 40 JIBB O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)[C@H](Cc1ccc([N+](=O)[O-])cc1)N1C(=O)c2ccccc2C1=O 2057944 RCIKEFHYGIZXJE-FQEVSTJZSA-N 494.847 4.002 5 40 JIBB COc1ccc(C(=O)NCCN2C(=O)S/C(=C\c3cccc(Cl)c3Cl)C2=O)cc1[N+](=O)[O-] 2661340 JSVPDKNHHHPWCL-YBEGLDIGSA-N 496.328 4.377 5 40 JIBB Cc1ccc(Nc2nc(COc3ccc(S(=O)(=O)N4CCCC4)cc3[N+](=O)[O-])cs2)cc1 9469713 SKERFFHIVFAKLS-UHFFFAOYSA-N 474.564 4.467 5 40 JIBB CC[C@@H](c1nnc(SCC(=O)Nc2cc(OC)c([N+](=O)[O-])cc2C)n1Cc1ccccc1)N(C)C 12530793 HUZOUKIZJMYLHK-IBGZPJMESA-N 498.609 4.295 5 40 JIBB O=C1[C@H]2[C@H](C(=O)N1c1ccc(Cl)cc1[N+](=O)[O-])C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 15945355 OVKIGWJWZJTXOL-YQORSWRPSA-N 475.844 4.033 5 40 JIBB O=C1[C@@H]2C(c3ccccc3)=NN(c3ccc([N+](=O)[O-])cc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 100949334 ZWNVFYNPUBFYSU-CTNGQTDRSA-N 491.301 4.140 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)/c1=N\C(=O)c1ccc(C)cc1 101176828 HGUWFPUDYMMEQS-JVCXMKTPSA-N 484.556 4.381 5 40 JIBB O=C(CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc([N+](=O)[O-])c1)Nc1ccccc1 225512691 DOUPAKTUYZAKNA-LOSJGSFVSA-N 498.568 4.392 5 40 JIBB COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc([N+](=O)[O-])ccc3Cl)cc2)c(OC)c1 408569725 XFXIQDMVFYEMLQ-UHFFFAOYSA-N 491.909 4.319 5 40 JIBB COc1ccc([C@H]2S/C(=C\c3cccc([N+](=O)[O-])c3)C(=O)N2NC(=O)Cc2ccccc2)cc1 1633765 JNXJZXZGCWSPOU-BQKWAYIGSA-N 475.526 4.492 5 40 JIBB Cc1c(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cccc1[N+](=O)[O-] 10368408 KHYGYEZPKPRWRD-UHFFFAOYSA-N 457.483 4.261 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10371944 VWPRZTSDUXNWMA-UHFFFAOYSA-N 455.492 4.273 5 40 JIBB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2NS(=O)(=O)c2cc([N+](=O)[O-])ccc2C)cc1 12566284 BMHNXEKFHFYWIO-KRWDZBQOSA-N 482.514 4.441 5 40 JIBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)c(Cl)c1 14279380 GIIXKHVVQYBYJT-UHFFFAOYSA-N 494.935 4.228 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@H]2c3ccccc3C=CN21 16037723 IPWIVXRFWXSEAS-KEZOAJOQSA-N 483.455 4.132 5 40 JIBB O=C(Nc1ccc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)cc1)c1ccccc1OC[C@@H]1CCCO1 21843757 VERDINRGIQNJQI-IBGZPJMESA-N 482.514 4.238 5 40 JIBB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccncc3)cc2)cc1[N+](=O)[O-] 26001424 VMNXSIIOVJGWEC-OAQYLSRUSA-N 466.519 4.076 5 40 JIBB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc([N+](=O)[O-])cc2)[C@H]2CSCN2[C@@]12C(=O)Nc1ccccc12 102770309 TYKZRTWFFHHUAD-KWNHSTDBSA-N 471.538 4.414 5 40 JIBB COc1cc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 223823808 ZXMSDJFARBKQHD-INIZCTEOSA-N 489.956 4.112 5 40 JIBB CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc([N+](=O)[O-])cc1 2796951 YUSNQAZMMKQOQU-UHFFFAOYSA-N 466.490 4.097 5 40 JIBB CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4[N+](=O)[O-])o3)cc2Cl)CC1 8898201 ROMJLDSCTJWKLT-UHFFFAOYSA-N 499.980 4.387 5 40 JIBB COc1ccc(OCCC(=O)Nc2ccc(NS(=O)(=O)c3cc([N+](=O)[O-])ccc3C)cc2)cc1 9511929 FNGYWVPXHZFHQV-UHFFFAOYSA-N 485.518 4.120 5 40 JIBB COc1ccc(C(=O)NCCCCCC2=C([N+](=O)[O-])[C@H](c3ccc(Cl)cc3)NC(=O)N2)cc1 9562704 OVCLQESUVXEUBA-FQEVSTJZSA-N 472.929 4.181 5 40 JIBB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cc1 14269909 UPPSNJCZNWJJRY-UHFFFAOYSA-N 455.540 4.060 5 40 JIBB Cc1cc(NC(=S)NC(=O)c2cc([N+](=O)[O-])ccc2N2CCCC2)ccc1-c1ccc(CO)o1 20153365 QSHNBFOAWASERF-UHFFFAOYSA-N 480.546 4.383 5 40 JIBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3cccc([N+](=O)[O-])c3)cc2)CC1 21579824 ZXUXGKOXMWFPBR-UHFFFAOYSA-N 494.935 4.472 5 40 JIBB O=C(O)COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2[N+](=O)[O-])C1=O 214984619 LBIKWMDLMOIOCA-LZYBPNLTSA-N 493.291 4.057 5 40 JIBB CC(=O)C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c([N+](=O)[O-])c3)C(=O)[C@H]12 408622444 PGYOMVIXEIYINR-ZQFKLAOWSA-N 472.884 4.388 5 40 JIBB Cc1ccccc1N1C[C@@H](C(=O)OCC(=O)c2ccc(Oc3ccc([N+](=O)[O-])cc3)cc2)CC1=O 408657517 UKQMFXOJCBPBQD-IBGZPJMESA-N 474.469 4.475 5 40 JIBB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Cl)cc([N+](=O)[O-])c3O)C2=O)cc1 409103792 YXYVMPARAYYFJR-LZYBPNLTSA-N 477.882 4.028 5 40 JIBB O=[N+]([O-])c1c(O)nc(/C=C\c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)nc1O 409345238 KTGIRAQNHGQFOS-VURMDHGXSA-N 455.789 4.494 5 40 JIBB O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1)Nc1cccc([N+](=O)[O-])c1 1008081 FZLQRCZSYIPGSP-UHFFFAOYSA-N 451.932 4.210 5 40 JIBB CCOCCCn1cnc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)cc1 2367923 BCMCNMUWJOECPC-UHFFFAOYSA-N 478.350 4.473 5 40 JIBB Cc1c([C@H](c2ccccc2[N+](=O)[O-])c2c(O)c3ccccc3oc2=O)c(=O)n(-c2ccccc2)n1C 4147978 VLGPPIPHLRXALI-QHCPKHFHSA-N 483.480 4.385 5 40 JIBB O=C(CSc1cn(CCNC(=O)c2ccc([N+](=O)[O-])cc2)c2ccccc12)NCc1ccccc1 9394755 XGPUQWOZTPDFHA-UHFFFAOYSA-N 488.569 4.388 5 40 JIBB O=C(CSc1nnc(Cc2ccc(Cl)cc2)n1-n1cccc1)Nc1ccc([N+](=O)[O-])cc1 9707919 VJKAVNLYYFPSHL-UHFFFAOYSA-N 468.926 4.274 5 40 JIBB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(OC)cc1[N+](=O)[O-] 14152742 TTXGMFKJNNGCCY-UHFFFAOYSA-N 477.930 4.178 5 40 JIBB Cc1ccc(C)c(NS(=O)(=O)c2ccc(OCC(=O)Nc3cccc([N+](=O)[O-])c3)cc2)c1 34869868 MFRMRYXOWLUYDF-UHFFFAOYSA-N 455.492 4.030 5 40 JIBB Cc1ccc(S(=O)(=O)Oc2c([N+](=O)[O-])cc(-c3ccc([N+](=O)[O-])cc3)cc2[N+](=O)[O-])cc1 104070350 USVLQNFIHDUMDX-UHFFFAOYSA-N 459.392 4.154 5 40 JIBB O=C(CN1C(=O)S/C(=C\c2ccccc2OCc2ccc([N+](=O)[O-])cc2)C1=O)N1CCCCC1 106755796 XRIQKRCHHZKIJV-STZFKDTASA-N 481.530 4.223 5 40 JIBB CCc1nnc(S/C(=C\c2cc(OC)c(OCc3ccccc3)cc2[N+](=O)[O-])C(=O)O)o1 408633460 YSJGYXLZVIAYMI-ZDLGFXPLSA-N 457.464 4.346 5 40 JIBB Cc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4C)o3)C2=O)cc1 409019101 PDLUDLFSRLYHET-NDENLUEZSA-N 460.446 4.003 5 40 JIBB CC1=C(C(=O)Nc2cccnc2)[C@@H](c2ccccc2[N+](=O)[O-])n2nc(-c3ccccc3)nc2N1 956288 HPDQPBRLWYOGPH-OAQYLSRUSA-N 453.462 4.176 5 40 JIBB O=C(c1ccc(F)cc1)[C@H]1[C@@H](c2ccc(-c3ccccc3[N+](=O)[O-])o2)NC(O)=N[C@@]1(O)C(F)(F)F 8915386 GGFOEEAMEYXTMC-OPYAIIAOSA-N 493.369 4.302 5 40 JIBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2ncnc3cc([N+](=O)[O-])ccc23)cc1 9119473 IISVPZFUYAQQTP-DEOSSOPVSA-N 483.484 4.303 5 40 JIBB CCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)NC(=O)N(c3ccc(C)c(Cl)c3)C2=O)[C@@H]1CC 9433997 BXYJUGBSFJFRSE-RDPSFJRHSA-N 484.940 4.377 5 40 JIBB CCn1c(SCC(=O)Nc2cc([N+](=O)[O-])ccc2Cl)nnc1-c1ccc(NC(C)=O)cc1 19929358 XVNZWMVHZPCJLX-UHFFFAOYSA-N 474.930 4.216 5 40 JIBB CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCN(c3ccc(C(F)(F)F)cc3[N+](=O)[O-])CC2)c1 32803312 BDGIIEGHRVIIFA-AWEZNQCLSA-N 479.459 4.165 5 40 JIBB O=C(Nc1ccc([N+](=O)[O-])cc1Cl)[C@H](NC[C@H]1COc2ccccc2O1)c1ccccc1 58164496 HBFCWCPWFPIVTR-HTAPYJJXSA-N 453.882 4.358 5 40 JIBB CCOc1ccc(-n2c(C)nnc2S[C@@H](C[N+](=O)[O-])c2cc(OC)c(OC)c(OC)c2)cc1 408574090 USHRDVUPHWRJSC-FQEVSTJZSA-N 474.539 4.110 5 40 JIBB COc1ccc(C(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)cc1[N+](=O)[O-] 408673242 QPZUTBLEHJSPLN-UHFFFAOYSA-N 450.447 4.292 5 40 JIBB Cc1cc(Br)c(NC(=O)COC(=O)c2ccccc2[N+](=O)[O-])c(Br)c1 3287588 FVRGTKVVMFYEAL-UHFFFAOYSA-N 472.089 4.224 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCc2cc(=O)oc3ccc4ccccc4c23)C(C)C)cc1 3426486 KPGNCBLYTNQDTM-VWLOTQADSA-N 479.554 4.301 5 40 JIBB O=C(NCCn1cc(SCC(=O)N2CCCCCC2)c2ccccc21)c1ccc([N+](=O)[O-])cc1 9391906 HYNLCFGXUYHPEV-UHFFFAOYSA-N 480.590 4.474 5 40 JIBB Cn1cccc1Cc1nnc(SCC(=O)Nc2cccc([N+](=O)[O-])c2)n1CCc1ccccc1 17149141 ZFOMZLOELKDNBB-UHFFFAOYSA-N 476.562 4.089 5 40 JIBB COc1ccc(Cl)cc1C(=O)N1CCN(c2ccc(NC(=O)c3ccc([N+](=O)[O-])o3)cc2)CC1 20258443 JCJBPRZVBKFQMG-UHFFFAOYSA-N 484.896 4.065 5 40 JIBB COc1ccc(OC)c(CNc2ccc([N+](=O)[O-])cc2S(=O)(=O)Nc2ccccc2OC)c1 24211927 YFBYOZNAWVSAEC-UHFFFAOYSA-N 473.507 4.034 5 40 JIBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224667476 SEPIMUMOWODHNG-INIZCTEOSA-N 489.956 4.112 5 40 JIBB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1)Nc1cccc([N+](=O)[O-])c1 409178785 NJCXCYSZHZLJPD-XMMPIXPASA-N 477.429 4.389 5 40 JIBB CCOc1ccc(C(C)=O)cc1N1C(=O)[C@H]2[C@H](C1=O)C1c3ccccc3C2([N+](=O)[O-])c2ccccc21 409368401 UGKAVJZDGJSHOB-MSVKLTOBSA-N 482.492 4.073 5 40 JIBB O=C(COC(=O)c1cc([N+](=O)[O-])c(Br)c([N+](=O)[O-])c1)c1ccc(Br)cc1 1311366 XDLYRPIYKFJFAB-UHFFFAOYSA-N 488.044 4.068 5 40 JIBB CC(=O)Nc1ccccc1C(=O)Nc1ccccc1C(=O)Nc1nnc(-c2ccc([N+](=O)[O-])cc2)o1 9062404 GYCAEZMBTDBZJA-UHFFFAOYSA-N 486.444 4.108 5 40 JIBB COc1cc(-c2c(NC(=O)c3ccc([N+](=O)[O-])cc3)n(C)c3ccccc3c2=O)cc(OC)c1OC 9089807 BBARFRLDRRGQRE-UHFFFAOYSA-N 489.484 4.392 5 40 JIBB COc1ccc(C2=NN(C(=O)COC(=O)c3cc(Cl)ccc3[N+](=O)[O-])[C@H](c3ccco3)C2)cc1 9491153 QOPLCTKDFPJMBJ-FQEVSTJZSA-N 483.864 4.385 5 40 JIBB COc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 10119919 KKZZHEHLTYQXDB-UHFFFAOYSA-N 479.522 4.012 5 40 JIBB CCOc1cc([C@@H]2CN(C)[C@]3(C(=O)Nc4ccccc43)[C@H]2[N+](=O)[O-])ccc1OCc1ccccc1 408567257 QRBXGMYTXFTQIJ-OICBGKIFSA-N 473.529 4.186 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(F)c([N+](=O)[O-])c1 1876465 VYAKDIMMZWYDOO-UHFFFAOYSA-N 476.468 4.066 5 40 JIBB CC1(C)CC(NC(=O)COc2ccc3c(c2)c2ccnc4c5ccccc5c(=O)n3c24)CC(C)(C)N1 8792241 SXSXSPKCYTVLEZ-UHFFFAOYSA-N 482.584 4.396 5 40 JIBB biogenic O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc([N+](=O)[O-])c3)N2C(=O)CN1CCc1ccccc1 8914471 GLDJKNDPHNRWJW-SQHAQQRYSA-N 480.524 4.004 5 40 JIBB biogenic COc1ccccc1CNC(=O)CCCc1nnc2n3nc(-c4ccccc4)nc3c3ccccc3n12 9860242 PPPDPYXUAJOKEX-UHFFFAOYSA-N 491.555 4.240 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2ccncc2)[C@]12C(=O)Nc1ccc(Cl)cc12 13591974 VCOBWSSLVPVZKD-UTSGNWPNSA-N 462.893 4.019 5 40 JIBB CCOc1cc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c([N+](=O)[O-])cc1OC 16237789 IPCVTYUWQBMCJE-UHFFFAOYSA-N 468.535 4.269 5 40 JIBB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)c([N+](=O)[O-])n1 21865978 IAIPFPPMACFNKK-ZDUSSCGKSA-N 455.540 4.052 5 40 JIBB CC[C@H](NC(=O)CN(c1cccc([N+](=O)[O-])c1)S(=O)(=O)c1ccccc1)c1ccc(OC)cc1 22313619 AYXBLCUSSINHHK-QHCPKHFHSA-N 483.546 4.066 5 40 JIBB COc1cc(/C=C2\SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCC(=O)OC(C)C 408599927 OUVDJLFEXWMEIW-JAIQZWGSSA-N 486.502 4.170 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@H]2C1 408684277 NFVXNBSVPMXBCL-PMACEKPBSA-N 453.882 4.147 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408686315 RMZXFQREOYYVDB-AEFFLSMTSA-N 453.882 4.147 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408705248 AKPOQUTWJYHRPI-UHFFFAOYSA-N 481.939 4.158 5 40 JIBB CCc1nc2c(c(=O)n1CCc1ccccc1)c1nc3ccccc3nc1n2C[C@H]1CCCO1 2213679 HUVQCZUPSXSSIK-LJQANCHMSA-N 453.546 4.279 5 40 JIBB CCOC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C 2704402 YFZRICCBXJSYGR-GOSISDBHSA-N 491.481 4.393 5 40 JIBB COc1cc([N+](=O)[O-])c2nc(C(Br)(Br)Br)ccc2c1[N+](=O)[O-] 4822202 YFPQCHFXZOLMGN-UHFFFAOYSA-N 499.897 4.355 5 40 JIBB Cc1ccc(NS(=O)(=O)c2ccc(N3CCN(c4ccc(O)cc4)CC3)c([N+](=O)[O-])c2)c(C)c1 8686929 GNISZGAEAVTSTA-UHFFFAOYSA-N 482.562 4.045 5 40 JIBB COc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1cc([N+](=O)[O-])c(C)c([N+](=O)[O-])c1 8989848 BKINFCBNJOYSMB-UHFFFAOYSA-N 459.480 4.201 5 40 JIBB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1)c1ccc(S(C)(=O)=O)cc1 12562668 JFKQYGINICFQHN-AWEZNQCLSA-N 499.511 4.111 5 40 JIBB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccc([N+](=O)[O-])cc1)c1ccccc1Br 59502220 HKSRZGOKYKXNGQ-UHFFFAOYSA-N 480.274 4.258 5 40 JIBB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)Cn2c3ccccc3c(=O)c3ccccc32)CC1 69974739 POGLWROTCRAKTJ-UHFFFAOYSA-N 474.948 4.080 5 40 JIBB COc1cccc([C@@H]2C3=C(N=c4s/c(=C/c5cccc([N+](=O)[O-])c5)c(=O)n42)c2ccccc2CC3)c1 197696101 BWAUUWSMPDXDTR-KMBIYUNPSA-N 495.560 4.236 5 40 JIBB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccc([N+](=O)[O-])cc2)CCOCC1 225564102 XITOENMZPIGRJV-UHFFFAOYSA-N 453.539 4.146 5 40 JIBB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2cccc([N+](=O)[O-])c2)C(=O)c2ccc([N+](=O)[O-])cc2)cc1 408682540 JOIUTMQGLQOQAE-QFIPXVFZSA-N 482.470 4.110 5 40 JIBB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3OC)o2)C1=O 409201770 OAHFGKUSFFLSJA-WOJGMQOQSA-N 460.464 4.243 5 40 JIBB COc1cc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3[C@H]2[N+](=O)[O-])ccc1O 9462042 DMYBEYYSUCWYDA-YFJHUXEUSA-N 487.468 4.205 5 40 JIBB O=C1Nc2cc(Cl)ccc2S[C@@H]1CC(=O)N1CCN(c2ccc(Cl)cc2[N+](=O)[O-])CC1 12562751 NZXFXWYIWULSJH-GOSISDBHSA-N 481.361 4.053 5 40 JIBB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)c1 14269558 VFHGJQHZFGXRSP-UHFFFAOYSA-N 469.567 4.451 5 40 JIBB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCN(c2ccc([N+](=O)[O-])c3cnccc23)CC1 62380484 YCUNPZIYMWKDQQ-OAHLLOKOSA-N 489.454 4.191 5 40 JIBB CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C(F)(F)F)cc1 100823297 QTPUBSMJEKRYPN-MWAVMZGNSA-N 498.461 4.167 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225743765 QVQKVPWGWOGYAH-UHFFFAOYSA-N 455.517 4.129 5 40 JIBB CC[C@H](NC(=O)[C@H](C)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O)c1ccc2c(c1)CCCC2 260912445 AXJJCGWVLHGSEG-JTSKRJEESA-N 473.595 4.204 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccc(Cl)cc3)C(=O)[C@@H]2C1 408684282 NFVXNBSVPMXBCL-WOJBJXKFSA-N 453.882 4.147 5 40 JIBB CCOc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(CCCOC)c(CC)nc32)cc1 2237692 PBNLHRYJPULXFH-UHFFFAOYSA-N 457.534 4.281 5 40 JIBB O=C(Nc1ccc(-c2csc(NC(=O)c3ccc([N+](=O)[O-])o3)n2)cc1)c1ccc([N+](=O)[O-])o1 3199289 KLZCBBFKVVTASU-UHFFFAOYSA-N 469.391 4.317 5 40 JIBB CCCCCn1ccc2nc3ccn(-c4nc(SCc5ccccc5)n[nH]4)c(=O)c3cc2c1=O 40398947 VRQBAJYUYRIWLK-UHFFFAOYSA-N 472.574 4.301 5 40 JIBB CCOC(=O)Cn1/c(=N/C(=O)/C=C/c2cccc([N+](=O)[O-])c2)sc2cc(Br)ccc21 100877273 NXAQFOBIUZOXSN-TZEZGEGSSA-N 490.335 4.077 5 40 JIBB O=C(O)c1ccc(-c2ccc(NS(=O)(=O)c3ccccc3[N+](=O)[O-])cc2Br)o1 226353736 WBGZXTVSROAFSH-UHFFFAOYSA-N 467.253 4.116 5 40 JIBB Cc1c(NC(=O)COc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cccc1[N+](=O)[O-] 409389714 IOIWUFYGQNIYPG-UHFFFAOYSA-N 481.530 4.062 5 40 JIBB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 9335283 KJAJPHQUZKIECH-GFCCVEGCSA-N 457.826 4.278 5 40 JIBB COc1cc([N+](=O)[O-])ccc1NC(=O)COC(=O)COc1ccc2ccccc2c1Br 13149611 UQLJMQVRKRXNNM-UHFFFAOYSA-N 489.278 4.080 5 40 JIBB COc1ccc([C@@H](CNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)c2c[nH]c3ccccc23)cc1 22456724 UKGHYNWPTWKVIG-OAQYLSRUSA-N 451.504 4.195 5 40 JIBB CN(CC(=O)Nc1ccccc1Cl)C(=O)COc1ccc([N+](=O)[O-])cc1-c1ccccc1 28617021 UTQWFSUGGDQAGP-UHFFFAOYSA-N 453.882 4.391 5 40 JIBB CN(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3nnc(-c4ccc([N+](=O)[O-])cc4)o3)c2)cc1 39768022 XCVRFRXNOPSSEI-UHFFFAOYSA-N 472.461 4.215 5 40 JIBB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)N4CCCCC4)C3=O)o2)cc1[N+](=O)[O-] 205801356 FDKUNTJBLMJYQG-XDHOZWIPSA-N 455.492 4.212 5 40 JIBB COc1cccc(CN(C(=O)CSCc2ccc([N+](=O)[O-])cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223027187 LJNTXNQYBWHLJU-KRWDZBQOSA-N 473.595 4.169 5 40 JIBB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223980251 FGNDNTBZGOACRH-RUZDIDTESA-N 459.546 4.304 5 40 JIBB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)cc1OC 409354870 AEFBVQXRTWLOAO-NDENLUEZSA-N 456.476 4.311 5 40 JIBB CC(C)CCn1c(SCC(=O)OCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O 3384114 VFRFZMQJOZLVDE-UHFFFAOYSA-N 499.545 4.053 5 40 JIBB O=C(NC(=S)Nc1ccc(N2CCCC2)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064651 XUFFTJKQXCOXEU-UHFFFAOYSA-N 453.568 4.312 5 40 JIBB O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(N2CCCCC2)c([N+](=O)[O-])c1 9064669 OVUOUUAOMLKCFT-UHFFFAOYSA-N 463.357 4.474 5 40 JIBB O=C(COC(=O)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1)c1cc2ccccc2o1 9562886 SPJNZTMFNPATRG-UHFFFAOYSA-N 480.454 4.182 5 40 JIBB Cc1ccc2c(c1)[C@]1(C(=O)N2)[C@@H](C(=O)c2ccccn2)[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H]2CSCN21 13541225 QHZSRBHYUUQZRB-OHTANWTRSA-N 486.553 4.117 5 40 JIBB CCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1 14269560 SRBKTAVCOMOBQM-UHFFFAOYSA-N 455.540 4.060 5 40 JIBB CCCCCn1/c(=N\C(=O)c2cccc(C)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 101100020 DHKYUUADBIRXCU-OLFWJLLRSA-N 472.545 4.066 5 40 JIBB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1c(Br)cc([N+](=O)[O-])cc1Br 102179646 HVYLUEKBCIARCL-GARJFASQSA-N 490.148 4.428 5 40 JIBB CCCCNC(=O)[C@@H](Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(c1ccccc1)c1ccccc1 408736696 FSGIIFBZGGYIGQ-XMMPIXPASA-N 459.546 4.371 5 40 JIBB COc1ccc(CCn2c(-c3ccc([N+](=O)[O-])cc3)nc3c(c(=O)c4ccccc4n3C)c2=O)cc1 2199735 XVRQRBKHLYNWFR-UHFFFAOYSA-N 482.496 4.075 5 40 JIBB Cc1ccc(-n2c3nc4ccccc4nc3c3c(=O)n(Cc4ccc5c(c4)OCO5)cnc32)cc1 8871121 KRTFSMIEWUJRIR-UHFFFAOYSA-N 461.481 4.369 5 40 JIBB Cc1c(NC(=O)COC(=O)CCC(=O)Nc2cccc([N+](=O)[O-])c2)ccc(Br)c1Cl 408663851 OWNZDOQRZBPHAK-UHFFFAOYSA-N 498.717 4.220 5 40 JIBB O=C1S/C(=C\c2cc3c(cc2[N+](=O)[O-])OCO3)C(=O)N1Cc1cccc(Br)c1 409357053 IJTKGVDDINNKIU-SOFYXZRVSA-N 463.265 4.323 5 40 JIBB O=C(COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1cccc([N+](=O)[O-])c1 990356 HGWRKROYBZQVTG-UHFFFAOYSA-N 464.817 4.089 5 40 JIBB COc1cc(NC(=O)COC(=O)CSc2ccc(Br)cc2C)c(C)cc1[N+](=O)[O-] 9096940 DWDAWHIRNNGAOL-UHFFFAOYSA-N 483.340 4.257 5 40 JIBB COc1cc(NC(=O)COC(=O)COc2ccc(-c3ccccc3)cc2)c(C)cc1[N+](=O)[O-] 9493081 ORSBRGACBUPLAU-UHFFFAOYSA-N 450.447 4.140 5 40 JIBB C[C@@H]1C=CC=C(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2cccc([N+](=O)[O-])c2)N1 27460226 XWBIOHAPXYUADL-ODXCJYRJSA-N 494.301 4.398 5 40 JIBB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc([N+](=O)[O-])cc4)CCOCC3)cc2)C1 225563737 FBSURKZAVVNHMP-FQEVSTJZSA-N 467.566 4.392 5 40 JIBB O=C(CSc1nnc(-c2ccc([N+](=O)[O-])cc2)n1-c1ccccc1)Nc1ccccc1[N+](=O)[O-] 6474829 VZZAUYAYUWVKOO-UHFFFAOYSA-N 476.474 4.482 5 40 JIBB CCOCCCn1c(C)nc2c(c1=O)c1nc3ccccc3nc1n2-c1cc(C)ccc1OC 8871129 FZOKEDDXEJJKEW-UHFFFAOYSA-N 457.534 4.336 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NS(=O)(=O)c1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 9895434 NJFQUYNCYTXLNN-JOCHJYFZSA-N 481.530 4.382 5 40 JIBB COc1ccc(Oc2cc(NC(=O)CNC(=O)c3ccc(C)c([N+](=O)[O-])c3)ccc2OC)cc1 11338293 GWONZYFKTUBAFM-UHFFFAOYSA-N 465.462 4.081 5 40 JIBB C[C@@H](OC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 13163571 UCNBXCUJRZVMKH-CQSZACIVSA-N 474.901 4.063 5 40 JIBB O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NC[C@H]1COc2ccccc2O1 15981039 PDUXLZOXLSVAKU-INIZCTEOSA-N 475.910 4.301 5 40 JIBB CCCCN1c2ccc([N+](=O)[O-])cc2C[C@@]2(C(=O)N=C(O)N(c3ccccc3)C2=O)[C@H]1CCC 17015541 GTBMSCKDIOWVRK-BWKNWUBXSA-N 464.522 4.400 5 40 JIBB CCn1c2ccccc2c2cc(NC(=O)CN3CCN(c4ccc([N+](=O)[O-])cc4)CC3)ccc21 25395011 UJNGDYZSZASNCK-UHFFFAOYSA-N 457.534 4.483 5 40 JIBB O=C(Cn1c2ccccc2c(=O)c2ccccc21)N1CCN(Cc2c(F)cccc2Cl)CC1 32888339 SHHTWGHBEXZKNH-UHFFFAOYSA-N 463.940 4.292 5 40 JIBB O=C(COc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 33621366 GWZDZHMLDWKZCS-UHFFFAOYSA-N 451.822 4.066 5 40 JIBB CCOc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccccc4[N+](=O)[O-])[C@H]3C2=O)cc1 102758726 ZNSABAHOLSKQRR-XPWALMASSA-N 459.458 4.045 5 40 JIBB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSCc1ccc([N+](=O)[O-])cc1 222686048 QFDQLRVSFUQOHJ-ZDUSSCGKSA-N 470.378 4.298 5 40 JIBB CC[C@@H](C(=O)N[C@H](C)c1ccc2c(c1)CCCC2)N(c1cc([N+](=O)[O-])ccc1C)S(C)(=O)=O 260922523 HDBXRCNIZUUZKE-VGSWGCGISA-N 473.595 4.204 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(C)cc1 409116560 KQKRFYPAFSRSDC-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB CCCN1C(=O)N/C(=C/c2cc(Br)ccc2OCc2ccc([N+](=O)[O-])cc2)C1=O 409238579 KJUFASZPBYOICL-GZTJUZNOSA-N 460.284 4.239 5 40 JIBB CCCN1C(=O)N/C(=C/c2ccc(OCc3cccc([N+](=O)[O-])c3)c(Br)c2)C1=O 409242590 RRAGCODPCUAZQX-GZTJUZNOSA-N 460.284 4.239 5 40 JIBB COc1ccc([C@@H]2N(c3ccccc3)O[C@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@@]23C)cc1 2350036 IFZCGEDPQUXAFJ-HWBMXIPRSA-N 459.458 4.045 5 40 JIBB CC[C@H](c1nnc(SCC(=O)Nc2ccc(C)c([N+](=O)[O-])c2)n1Cc1ccccc1)N(C)C 2619215 MLADDFFECNESKH-LJQANCHMSA-N 468.583 4.287 5 40 JIBB COc1cc(C(=S)N2CCOCC2)cc(Cl)c1OC(=O)c1ccc(Cl)c([N+](=O)[O-])c1 12285279 BKBYPJXKHFQKDR-UHFFFAOYSA-N 471.318 4.137 5 40 JIBB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COC(=O)Cc2ccc([N+](=O)[O-])cc2)cc1 12604259 IBLBQEODJSRCFV-DEOSSOPVSA-N 473.485 4.067 5 40 JIBB COc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cc([N+](=O)[O-])ccc1C 15979289 CRPQMBMYEADFBW-UHFFFAOYSA-N 465.491 4.399 5 40 JIBB COc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)c2ccc(C)cc2)cc1OC 19856491 YETJTEWHQIATDC-UHFFFAOYSA-N 499.545 4.063 5 40 JIBB Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2N2CCOCC2)ccc1NC(=O)c1ccccc1 22567892 SSWACFMHMJFUSD-UHFFFAOYSA-N 460.490 4.244 5 40 JIBB CCOC(=O)c1cc2c(=O)n3cccc(C)c3nc2n(C(C)C)/c1=N/C(=O)c1ccc(C)c(C)c1 102919258 FJPBQOIXSDQSDI-RMLRFSFXSA-N 472.545 4.073 5 40 JIBB CCOc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc([N+](=O)[O-])c2C)C2CCCCC2)cc1 408619487 IAXGFDBBSYTTRQ-UHFFFAOYSA-N 475.567 4.264 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2[N+](=O)[O-])nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 409151212 GZHZRISREJMWRM-FQEVSTJZSA-N 482.566 4.064 5 40 JIBB COc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc([N+](=O)[O-])cc4)c(OC)c3)C(=O)O2)c1 409190945 CGRZQBKPRLIDHX-NDENLUEZSA-N 474.425 4.176 5 40 JIBB Cc1ccc2cc(CN(Cc3ccc(F)cc3)S(=O)(=O)c3ccccc3[N+](=O)[O-])c(=O)[nH]c2c1 6409668 NUGTZHAVYIZMRS-UHFFFAOYSA-N 481.505 4.275 5 40 JIBB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)[C@H]1CC(=O)N(c2ccc(F)c([N+](=O)[O-])c2)C1 12784713 CWURMNGEHYOGQR-ZDUSSCGKSA-N 492.294 4.277 5 40 JIBB Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(oc(=O)c4ccccc43)c2C)C(C)C)cc1 13557473 LZAZSRKWPOYIOK-QHCPKHFHSA-N 479.554 4.472 5 40 JIBB Cc1c(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cccc1[N+](=O)[O-] 15790861 IISNAFNOOHKYGA-UHFFFAOYSA-N 473.938 4.386 5 40 JIBB CCCCn1/c(=N\C(=O)c2cccc(Cl)c2)c(C(=O)OCC)cc2c(=O)n3ccccc3nc21 100820856 WJPJDHPITPSMMG-SLMZUGIISA-N 478.936 4.021 5 40 JIBB CC1=CC[C@@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@H]2C1 408686318 RMZXFQREOYYVDB-WMZOPIPTSA-N 453.882 4.147 5 40 JIBB CCn1c(SCC(=O)Nc2ccccc2)nnc1[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(C)C 409136648 SMEAETXKSKRUBJ-FQEVSTJZSA-N 482.566 4.064 5 40 JIBB O=C(CSc1nc2cc([N+](=O)[O-])ccc2n1-c1cccc(C(F)(F)F)c1)NC[C@@H]1CCCO1 9511892 WUMJAYKQMKQXOZ-INIZCTEOSA-N 480.468 4.340 5 40 JIBB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4ccc(N5CCCC5)c([N+](=O)[O-])c4)c3)nn12 10010289 WFKIVLMLAOLDHQ-UHFFFAOYSA-N 493.549 4.185 5 40 JIBB CCCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2cccc([N+](=O)[O-])c2)n2c1nc1ccccc12 20675586 PLMRMSSJVLRUEU-NHCUHLMSSA-N 450.495 4.250 5 40 JIBB O=C(NC(=S)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc([N+](=O)[O-])c1 22711783 NRSZQNJBMFMTPM-UHFFFAOYSA-N 475.574 4.044 5 40 JIBB O=C1[C@H]2C3c4ccccc4C([N+](=O)[O-])(c4ccccc43)[C@@H]2C(=O)N1c1ccccc1Br 59503336 PMASRYMKSDIVKC-ZRDDSIGQSA-N 475.298 4.234 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccc([N+](=O)[O-])c3)[C@@H]2C(=O)N1c1ccccc1Br 102710923 VUCDUKWQOFVHBX-HBMCJLEFSA-N 494.301 4.408 5 40 JIBB O=c1/c(=C\c2ccc(O)c([N+](=O)[O-])c2)sc2n1[C@@H](c1ccc(F)cc1)C1=C(N=2)c2ccccc2CC1 197320532 KVLKMPWKCVFFPI-ZDGAQAAHSA-N 499.523 4.072 5 40 JIBB CC1=CC[C@H]2C(=O)N(N(Cc3ccccc3Cl)C(=O)c3ccccc3[N+](=O)[O-])C(=O)[C@@H]2C1 408686317 RMZXFQREOYYVDB-SJLPKXTDSA-N 453.882 4.147 5 40 JIBB O=C(c1cccc([N+](=O)[O-])c1)[C@@H](C(=O)N1CCC(Cc2ccccc2)CC1)n1cc(Cl)ccc1=O 9762498 CEOXLYMRGCBIRS-DEOSSOPVSA-N 493.947 4.315 5 40 JIBB CCOC(=O)c1c(NC(=O)c2cc3cc([N+](=O)[O-])ccc3s2)sc2c1CCN(C(C)=O)C2 12378159 NEGHAMGARMHZFX-UHFFFAOYSA-N 473.532 4.205 5 40 JIBB Cc1ccc(N2N=C([N+](=O)[O-])[C@H](c3cccc([N+](=O)[O-])c3)N[C@H]2c2cccc([N+](=O)[O-])c2)cc1 33353882 IUMHCTKTFYOQKJ-LEWJYISDSA-N 462.422 4.251 5 40 JIBB O=C(NC(=S)Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 33457901 YQUBHERKICBNSK-UHFFFAOYSA-N 486.937 4.472 5 40 JIBB Cc1ccc2c(CC(=O)NCCN3C(=O)S/C(=C/c4ccc([N+](=O)[O-])cc4)C3=O)coc2c1 34864747 OUZGFBDXFPPMSE-RGVLZGJSSA-N 465.487 4.045 5 40 JIBB C[C@@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc([N+](=O)[O-])cc2)[C@@H]1C(=O)c1ccccc1 100574061 RADGSAFFTXGRGW-QRXMYIDTSA-N 457.482 4.400 5 40 JIBB Cc1ccc(C(=O)[C@@H](C)N(C(=O)c2ccc(Cl)cc2)N2C(=O)c3cccc([N+](=O)[O-])c3C2=O)cc1 408660111 WHSGQSFPOCEFQJ-OAHLLOKOSA-N 491.887 4.481 5 40 JIBB CC(C)[C@@H](NC(=O)c1cccc([N+](=O)[O-])c1)c1nc(SCC(=O)Nc2ccc(Cl)cc2)n[nH]1 409171117 ZDPGRCLNMWGPJL-GOSISDBHSA-N 488.957 4.224 5 40 JIBB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)Oc1ccc2c(oc(=O)c3cc(OC)ccc32)c1C 2150350 CXTCDVNICKPTBZ-QFIPXVFZSA-N 495.553 4.234 5 40 JIBB biogenic COc1cc2c(=O)[nH]c3c(C(=O)OCCC(C)C)c4nc5ccccc5nc4n3c2cc1OC 6143822 NFPSFKUOGKPJKK-UHFFFAOYSA-N 460.490 4.097 5 40 JIBB CCN(c1ccccc1)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c([N+](=O)[O-])c1 8826136 DAQLQOWOFZDFQF-UHFFFAOYSA-N 495.966 4.264 5 40 JIBB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)Nc3nc4ccc([N+](=O)[O-])cc4s3)cc2)C1 9367927 YVLYUVJBNWQWOI-KBPBESRZSA-N 474.564 4.123 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 12371142 URLWXJGVFYEMFG-UHFFFAOYSA-N 475.910 4.091 5 40 JIBB COc1ccc(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c([N+](=O)[O-])c1 12600818 YKVNXRDJUPHVDU-UHFFFAOYSA-N 466.475 4.108 5 40 JIBB COc1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)c([N+](=O)[O-])c(OC)c1OC 16176863 MFWLLMNOZXRRGV-UHFFFAOYSA-N 450.491 4.357 5 40 JIBB C[C@H]1CCC[C@@](O)(CNc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2[N+](=O)[O-])C1 65547927 VTSGIJSRJQPPTH-XOBRGWDASA-N 453.948 4.402 5 40 JIBB Cc1ccc(CN2CC(=O)N3[C@@H](Cc4c([nH]c5ccccc45)[C@H]3c3cccc([N+](=O)[O-])c3)C2=O)cc1 2092411 VGNKMJPOAOIXTE-RPLLCQBOSA-N 480.524 4.270 5 40 JIBB biogenic CSCC[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)OCC(=O)c1ccc(Cl)s1 3409039 SWPITYGTAOUWFK-ZDUSSCGKSA-N 491.374 4.241 5 40 JIBB COc1ccc(SCCCC(=O)N2CCN(c3nc4ccc([N+](=O)[O-])cc4s3)CC2)cc1 10218076 DNYDOEYBBTYMGP-UHFFFAOYSA-N 472.592 4.434 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@@H](C(=O)c2cccnc2)[C@@]12C(=O)Nc1c(C(F)(F)F)cccc12 16033145 UOKYZKHVSLYFKN-YQOVMPOYSA-N 496.445 4.384 5 40 JIBB CNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1[N+](=O)[O-] 225621073 BJSLOQMNZVRERY-QHCPKHFHSA-N 465.937 4.177 5 40 JIBB COC(=O)c1ccc(CSc2nnc(NC(=O)/C=C/c3ccccc3[N+](=O)[O-])s2)cc1 3424738 SRBZKXKBOMOYSQ-ZHACJKMWSA-N 456.505 4.177 5 40 JIBB Cc1ccc(C)c(Nc2c(C(=O)N3CC(=O)Nc4ccccc43)cc([N+](=O)[O-])cc2[N+](=O)[O-])c1 4256178 LKSIUXHDJAWWOH-UHFFFAOYSA-N 461.434 4.462 5 40 JIBB Nn1c(SCC(=O)Nc2nc(-c3cccc([N+](=O)[O-])c3)cs2)nnc1-c1ccc(Cl)cc1 8659282 ISDCSKKTEZQPHR-UHFFFAOYSA-N 487.954 4.075 5 40 JIBB Cc1cc(S(=O)(=O)[C@H](CNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c2ccco2)ccc1F 9569362 MRLNNMVACZWHFY-LJQANCHMSA-N 466.874 4.234 5 40 JIBB COc1ccc([N+](=O)[O-])cc1NC(=O)[C@@H](C)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12549921 PCEUPGHBPDTMJF-LLVKDONJSA-N 488.850 4.173 5 40 JIBB COc1ccc(N(CC(=O)N[C@@H](C)c2ccc(C)cc2)S(=O)(=O)c2ccc(C)c([N+](=O)[O-])c2)cc1 22518569 KXSSPVHOPLTKDF-IBGZPJMESA-N 497.573 4.293 5 40 JIBB COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4ccc([N+](=O)[O-])cc4)c(=O)n31)c1ccccc1CC2 40033059 AIRVQBFCLPWKRJ-SJJVXOANSA-N 495.560 4.236 5 40 JIBB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cc([N+](=O)[O-])ccc3Cl)[C@H]2C(=O)N1c1ccc([N+](=O)[O-])cc1 217430914 BZSCIBJFJDDIMP-NJYVYQBISA-N 494.847 4.208 5 40 JIBB Cc1ccc(C)n1N(CC(=O)c1ccc(Br)cc1)C(=O)c1ccc([N+](=O)[O-])cc1 408681663 ICSGUDKHEZESIU-UHFFFAOYSA-N 456.296 4.437 5 40 JIBB CCOC(=O)c1nn(-c2ccccc2)c(=O)c2c(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)scc12 9381339 DNZBTEUBCSJJTO-UHFFFAOYSA-N 498.904 4.438 5 40 JIBB Cc1ccc([N+](=O)[O-])cc1N1C(=O)[C@@H]2[C@H]3c4ccccc4C=CN3[C@H](C(=O)c3ccccc3)[C@@H]2C1=O 16034757 TUVIACLWIODXFI-LIONHTAISA-N 479.492 4.302 5 40 JIBB COc1ccc(C(=O)Oc2c(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)c(C)nn2-c2ccccc2)cc1 16976906 XSIICKVAXKUSGW-UHFFFAOYSA-N 493.497 4.150 5 40 JIBB COc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4cccc([N+](=O)[O-])c4)cs3)n2C)cc1 36852428 HHZUJXFWKNKLDY-UHFFFAOYSA-N 482.547 4.253 5 40 JIBB Cc1cc(C)n(Cc2cccc(CNc3ccc(S(=O)(=O)NC(C)(C)C)cc3[N+](=O)[O-])c2)n1 40139242 SPWKLMYNVMJDEF-UHFFFAOYSA-N 471.583 4.145 5 40 JIBB O=[N+]([O-])c1ccc(Sc2nnc(Sc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])s2)c([N+](=O)[O-])c1 100926808 FZLUPDWJGIASMX-UHFFFAOYSA-N 482.437 4.473 5 40 JIBB COc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3c(F)cccc3Cl)C2=O)c1 102767758 XFTLROUOYLTKNN-FDFHNCONSA-N 497.866 4.447 5 40 JIBB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccc([N+](=O)[O-])cc1 107787690 RDRSBNVLNKOXHN-FMIVXFBMSA-N 457.943 4.482 5 40 JIBB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)c(OCC)c2)C1=O 205695689 WIQYSUJGRSRBSW-UDWIEESQSA-N 486.502 4.172 5 40 JIBB O=[N+]([O-])c1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c1 223472524 TUTRKXGBQVWSEP-XZOQPEGZSA-N 456.531 4.348 5 40 JIBB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 224333133 DTNWIBLXWZVORP-VWLOTQADSA-N 477.536 4.443 5 40 JIBB O=C(CN(C(=O)c1ccccc1Cl)N1C(=O)c2cccc([N+](=O)[O-])c2C1=O)c1ccc(Cl)cc1 408658011 UNWKAOCJFPBVCE-UHFFFAOYSA-N 498.278 4.438 5 40 JIBB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)c([N+](=O)[O-])c3)n2C)cc1 409163697 WNCPVZSDHCEZOY-OAHLLOKOSA-N 455.540 4.465 5 40 JIBB O=C(CSc1nnnn1-c1ccccc1)Nc1cc([N+](=O)[O-])ccc1Nc1ccc(F)cc1 9439659 AZHQZTGOSUYXGC-UHFFFAOYSA-N 465.470 4.184 5 40 JIBB O=C(Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1)c1ccc([N+](=O)[O-])o1 9934684 CCXXGZFMZDYMIK-UHFFFAOYSA-N 482.365 4.462 5 40 JIBB O=C(CSc1nc2ccccc2c2nc3ccccc3n12)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 12628221 PPMHHKZRYOOEFE-SFHVURJKSA-N 494.642 4.086 5 40 JIBB CSCC[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1Cl)C(=O)O[C@H](C)c1nc(C(C)(C)C)no1 12775461 RBJUWXYSUQIABV-IAQYHMDHSA-N 484.962 4.085 5 40 JIBB C[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1)N1CCN([C@H](C)c2nc(-c3ccc(Cl)cc3)no2)CC1 12947836 LOAAFNPGWIKLAX-JKSUJKDBSA-N 484.944 4.004 5 40 JIBB CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)NCc1cccc(Cl)c1 15009234 SXACDJMSFKZLAS-INIZCTEOSA-N 456.351 4.070 5 40 JIBB COc1cc(C(=O)N(C)CC(=O)Nc2cc(C)on2)ccc1Oc1ccc(Cl)cc1[N+](=O)[O-] 32841913 GUPVXFXJVXIHSQ-UHFFFAOYSA-N 474.857 4.056 5 40 JIBB Cn1c(=O)c(C(=O)C[C@H](Nc2cccc([N+](=O)[O-])c2)c2ccc3c(c2)OCO3)c(O)c2ccccc21 104827729 JRXHFKVJZLJHRD-IBGZPJMESA-N 487.468 4.307 5 40 JIBB COc1cc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)ccc1[N+](=O)[O-] 224667522 SEPIMUMOWODHNG-MRXNPFEDSA-N 489.956 4.112 5 40 JIBB Cc1cc(-c2ccc(/C=c3\sc4nc5cc(Br)cnc5n4c3=O)o2)cc([N+](=O)[O-])c1C 227149520 KEYXNIBQOPOYQM-LSCVHKIXSA-N 497.330 4.399 5 40 JIBB COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)[C@H]3[C@H]3c4ccccc4C=CN23)cc1 248115340 ARROASCPBJVBSE-VPBXCIAMSA-N 495.491 4.002 5 40 JIBB COc1cc([N+](=O)[O-])ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)o1 260917897 JQJLDLXKSROAEC-UZFJHSOTSA-N 480.546 4.410 5 40 JIBB CCOc1cc([C@@H]2[C@H](C)N[C@@]3(C(=O)Nc4ccccc43)[C@@H]2[N+](=O)[O-])ccc1OCc1ccc(F)cc1 408568812 URWWYZYYEWWZLB-CNOGLUJGSA-N 491.519 4.372 5 40 JIBB CCOC(=O)c1c(NC(=O)c2cccc([N+](=O)[O-])c2)sc(C(=O)NC2CCCCC2)c1C 2758798 LPXSRCBFRPEAGR-UHFFFAOYSA-N 459.524 4.456 5 40 JIBB COc1cc(C(=O)OCC(=O)c2cc(C)n(CCc3ccccc3)c2C)c([N+](=O)[O-])cc1OC 3449702 JYYUOLHQXBGOLC-UHFFFAOYSA-N 466.490 4.313 5 40 JIBB O=C(NC(NNc1ccc([N+](=O)[O-])cc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1 8445303 BSSWXQFZJMDZJP-UHFFFAOYSA-N 456.730 4.416 5 40 JIBB Cc1nc(SC(F)F)nc(C)c1CCC(=O)OCC(=O)Nc1ccc(Cl)cc1[N+](=O)[O-] 9256972 UZZAANAYWDNOOM-UHFFFAOYSA-N 474.873 4.084 5 40 JIBB CCN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc([N+](=O)[O-])cc2OC)cc1 10253767 MXYRAEDPLPGHMO-UHFFFAOYSA-N 461.540 4.199 5 40 JIBB CN1C[C@H](c2cccc([N+](=O)[O-])c2)[C@H](C(=O)c2cccs2)[C@]12C(=O)Nc1ccc(F)cc12 20622636 WMBLCVHBWLFNJN-AYPBNUJASA-N 451.479 4.171 5 40 JIBB O=C(O[C@@H](C(=O)Nc1ccc([N+](=O)[O-])cc1Cl)c1ccccc1)c1cc2c(cc1[N+](=O)[O-])OCO2 23291480 YCKAKVHCNRDYIQ-HXUWFJFHSA-N 499.819 4.422 5 40 JIBB COc1ccc(N(CC(=O)Nc2ccccc2F)S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1 33665913 KYAAOVRCOMUGNR-UHFFFAOYSA-N 493.900 4.230 5 40 JIBB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1[N+](=O)[O-] 223456632 MDLBNBHZIKYNBT-DEOSSOPVSA-N 463.509 4.053 5 40 JIBB CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1ccc([N+](=O)[O-])cc1 408631605 KSARKMQXXUPITD-ODLFYWEKSA-N 457.464 4.482 5 40 JIBB C[C@@H]1C=CC[C@H]2C(=O)N(N(Cc3ccc([N+](=O)[O-])cc3)C(=O)c3ccccc3Cl)C(=O)[C@H]12 408677851 CCMRKDLEPZWWQQ-LXGCGDOSSA-N 453.882 4.003 5 40 JIBB CCn1c(SCC(=O)Nc2ccc([N+](=O)[O-])cc2C)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 409137996 YCTFBLIHLUYKSY-INIZCTEOSA-N 482.566 4.045 5 40 JIBB O=C(CN1C(=O)S/C(=C/c2ccc([N+](=O)[O-])cc2)C1=O)Nc1ccccc1Br 409328281 RFKDSDVGKYPFGO-OQLLNIDSSA-N 462.281 4.032 5 40 JIBB